==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-SEP-03 1UM9 . COMPND 2 MOLECULE: 2-OXO ACID DEHYDROGENASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.NAKAI,N.NAKAGAWA,N.MAOKA,R.MASUI,S.KURAMITSU,N.KAMIYA, . 1312 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 918 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 143 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 84 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 439 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 2.4 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 4 4 2 2 0 2 3 4 0 13 2 2 2 0 0 0 0 0 0 1 1 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 8 5 7 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 . 6 5 2 0 0 0 0 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 . 3 0 0 2 0 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 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 6 A H 0 0 113 0, 0.0 2,-0.3 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 144.1 44.7 63.7 45.1 2 7 A R - 0 0 125 3,-0.0 3,-0.1 0, 0.0 227,-0.1 -0.973 360.0-128.0-148.1 129.0 42.0 61.9 47.1 3 8 A F - 0 0 20 -2,-0.3 2,-0.3 1,-0.1 0, 0.0 -0.332 39.4 -93.0 -72.2 160.7 39.6 59.2 46.0 4 9 A E - 0 0 144 1,-0.0 3,-0.5 -2,-0.0 2,-0.2 -0.593 41.0-136.2 -76.7 132.1 35.8 59.7 46.7 5 10 A T S S+ 0 0 62 -2,-0.3 211,-0.2 1,-0.2 -1,-0.0 -0.542 76.5 9.5 -87.9 154.2 34.7 58.0 50.0 6 11 A F S S- 0 0 53 209,-2.9 -1,-0.2 -2,-0.2 210,-0.1 0.829 81.8-178.6 48.6 43.9 31.5 56.0 50.4 7 12 A T - 0 0 25 -3,-0.5 -1,-0.1 208,-0.2 198,-0.1 -0.398 31.9-136.8 -72.3 149.7 30.8 55.9 46.6 8 13 A E S S+ 0 0 167 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.1 0.861 94.1 47.2 -73.4 -36.1 27.6 54.1 45.5 9 14 A E S S- 0 0 128 208,-0.1 208,-0.2 1,-0.0 2,-0.1 -0.843 102.4-100.0-106.1 143.2 29.5 52.4 42.7 10 15 A P - 0 0 35 0, 0.0 208,-0.3 0, 0.0 2,-0.1 -0.379 43.4-103.3 -64.6 135.4 32.9 50.7 43.2 11 16 A I B -a 218 0A 19 206,-2.8 208,-2.5 -7,-0.1 2,-0.3 -0.346 43.9-174.4 -60.2 129.9 36.0 52.8 42.2 12 17 A R + 0 0 97 206,-0.2 3,-0.1 1,-0.1 208,-0.0 -0.955 26.4 170.0-128.9 148.4 37.5 51.7 38.9 13 18 A L + 0 0 5 -2,-0.3 8,-2.5 1,-0.2 9,-0.5 0.506 67.4 69.5-127.5 -20.2 40.6 52.8 37.0 14 19 A I B S-H 20 0B 1 6,-0.2 6,-0.2 7,-0.1 -1,-0.2 -0.901 71.3-144.7-107.2 125.2 40.8 50.1 34.3 15 20 A G > - 0 0 2 4,-2.8 3,-1.4 -2,-0.5 254,-0.1 -0.328 32.0-106.0 -78.2 168.6 38.2 50.1 31.5 16 21 A E T 3 S+ 0 0 91 1,-0.3 -1,-0.1 2,-0.1 252,-0.1 0.572 123.0 46.7 -71.4 -5.5 37.1 46.8 30.0 17 22 A E T 3 S- 0 0 156 2,-0.1 -1,-0.3 251,-0.0 248,-0.0 0.126 128.4 -90.1-121.4 18.8 39.2 47.7 27.0 18 23 A G S < S+ 0 0 2 -3,-1.4 2,-0.1 1,-0.3 -2,-0.1 0.552 78.0 145.3 86.4 7.4 42.4 48.8 28.7 19 24 A E - 0 0 74 1,-0.1 -4,-2.8 2,-0.0 2,-0.6 -0.472 50.6-121.5 -80.8 151.6 41.5 52.4 29.0 20 25 A W B +H 14 0B 57 -6,-0.2 -6,-0.2 -2,-0.1 -7,-0.1 -0.838 27.5 178.2 -95.3 120.4 42.6 54.6 32.0 21 26 A L + 0 0 77 -8,-2.5 -7,-0.1 -2,-0.6 -1,-0.1 0.464 36.1 127.1 -99.2 -5.2 39.7 56.1 33.9 22 27 A G - 0 0 19 -9,-0.5 4,-0.1 1,-0.1 -9,-0.1 -0.067 59.1-141.4 -56.8 154.0 41.6 57.9 36.6 23 28 A D S S+ 0 0 123 2,-0.1 -1,-0.1 0, 0.0 -10,-0.0 -0.137 91.4 51.6-105.1 32.6 41.2 61.5 37.4 24 29 A F S S- 0 0 31 -23,-0.1 2,-0.2 0, 0.0 -2,-0.1 -0.939 102.4 -85.9-158.3 154.3 44.9 61.7 37.9 25 30 A P - 0 0 108 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.474 41.8-109.7 -74.1 137.5 47.8 60.6 35.7 26 31 A L - 0 0 48 -2,-0.2 -6,-0.0 1,-0.1 0, 0.0 -0.434 36.3-179.8 -60.9 131.9 49.1 57.0 35.8 27 32 A D + 0 0 110 -2,-0.1 2,-0.6 2,-0.1 -1,-0.1 0.192 40.4 111.8-123.8 16.2 52.5 57.1 37.5 28 33 A L - 0 0 15 2,-0.0 -2,-0.0 4,-0.0 5,-0.0 -0.835 66.7-128.2 -93.3 120.7 53.5 53.4 37.5 29 34 A E > - 0 0 139 -2,-0.6 4,-2.2 1,-0.1 5,-0.2 -0.187 27.2-103.1 -60.9 158.5 56.4 52.8 35.1 30 35 A G H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 120.4 55.3 -52.5 -41.2 56.1 50.1 32.5 31 36 A E H > S+ 0 0 141 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.935 108.7 45.8 -60.3 -48.6 58.3 47.7 34.6 32 37 A K H > S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 111.6 53.1 -63.9 -37.0 56.2 48.0 37.7 33 38 A L H X S+ 0 0 4 -4,-2.2 4,-1.9 1,-0.2 3,-0.2 0.965 110.5 46.1 -61.2 -50.7 53.0 47.5 35.7 34 39 A R H X S+ 0 0 69 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.826 108.9 58.0 -59.2 -32.6 54.4 44.3 34.2 35 40 A R H X S+ 0 0 98 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.909 103.6 51.3 -64.8 -42.8 55.5 43.3 37.7 36 41 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 -3,-0.2 -2,-0.2 0.942 112.5 45.8 -59.3 -48.2 51.9 43.5 39.0 37 42 A Y H X S+ 0 0 2 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.917 110.2 54.8 -60.4 -44.5 50.7 41.3 36.1 38 43 A R H X S+ 0 0 43 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.934 109.9 45.8 -55.5 -49.9 53.6 38.9 36.7 39 44 A D H X S+ 0 0 32 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.866 108.5 56.2 -63.8 -37.3 52.6 38.5 40.4 40 45 A M H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.901 109.0 47.2 -62.2 -39.5 48.9 38.1 39.5 41 46 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.927 111.7 50.8 -65.5 -45.2 49.8 35.2 37.2 42 47 A A H X S+ 0 0 7 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.915 111.3 47.8 -58.6 -44.8 52.1 33.7 39.9 43 48 A A H X S+ 0 0 4 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.919 113.0 48.7 -63.1 -43.4 49.3 33.9 42.5 44 49 A R H X S+ 0 0 27 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.938 113.8 45.5 -61.8 -47.5 46.8 32.4 40.0 45 50 A M H X S+ 0 0 17 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.846 110.1 54.7 -66.4 -33.6 49.1 29.5 39.2 46 51 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.922 108.6 49.9 -64.1 -42.4 49.9 29.0 42.9 47 52 A D H X S+ 0 0 8 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.889 110.2 48.5 -62.8 -42.1 46.2 28.6 43.5 48 53 A E H X S+ 0 0 97 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.842 107.8 56.5 -68.5 -30.5 45.8 26.1 40.7 49 54 A R H X S+ 0 0 45 -4,-1.9 4,-2.4 1,-0.2 3,-0.3 0.894 103.0 55.0 -65.8 -39.6 48.8 24.2 42.1 50 55 A Y H X S+ 0 0 3 -4,-1.8 4,-2.6 1,-0.2 5,-0.3 0.877 100.5 59.1 -60.1 -39.8 46.9 24.0 45.5 51 56 A T H X S+ 0 0 71 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.890 109.2 44.4 -57.0 -40.7 44.0 22.4 43.7 52 57 A I H X S+ 0 0 62 -4,-1.2 4,-3.0 -3,-0.3 6,-0.3 0.924 110.2 54.2 -70.1 -45.9 46.3 19.6 42.6 53 58 A L H <>S+ 0 0 1 -4,-2.4 6,-1.5 1,-0.2 5,-1.3 0.883 113.8 41.9 -55.6 -41.8 48.0 19.3 46.0 54 59 A I H ><5S+ 0 0 63 -4,-2.6 3,-1.6 4,-0.2 -1,-0.2 0.918 114.0 52.4 -72.9 -42.4 44.6 18.8 47.6 55 60 A R H 3<5S+ 0 0 169 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.874 112.2 45.2 -61.2 -38.8 43.4 16.5 44.9 56 61 A T T 3<5S- 0 0 68 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.2 0.141 116.8-111.7 -93.4 20.6 46.4 14.3 45.2 57 62 A G T < 5S+ 0 0 58 -3,-1.6 -3,-0.2 2,-0.2 -4,-0.1 0.431 82.2 125.6 68.0 -1.2 46.3 14.2 48.9 58 63 A K S + 0 0 4 -22,-0.1 3,-2.9 -21,-0.1 4,-0.3 0.243 27.7 137.1-118.7 9.6 41.8 32.4 46.1 66 71 A A T 3 S+ 0 0 9 1,-0.3 187,-1.6 2,-0.2 188,-0.4 -0.426 74.4 33.9 -59.6 123.4 41.3 32.5 42.3 67 72 A G T 3 S+ 0 0 4 185,-0.2 184,-0.6 -2,-0.2 -1,-0.3 0.161 100.5 81.2 113.3 -16.3 39.7 35.9 41.7 68 73 A H <> + 0 0 0 -3,-2.9 4,-3.5 1,-0.1 5,-0.3 0.406 60.2 102.5 -98.3 -1.2 41.5 37.6 44.6 69 74 A E H > S+ 0 0 4 -4,-0.3 4,-3.0 1,-0.2 5,-0.4 0.881 79.9 47.0 -50.3 -50.2 44.7 38.2 42.5 70 75 A A H > S+ 0 0 0 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.956 118.4 42.2 -59.1 -50.5 44.1 41.9 41.8 71 76 A A H > S+ 0 0 0 149,-0.8 4,-2.1 -4,-0.3 -2,-0.2 0.964 119.1 43.1 -60.8 -54.8 43.2 42.7 45.4 72 77 A Q H X S+ 0 0 2 -4,-3.5 4,-1.7 1,-0.2 -2,-0.2 0.894 116.3 45.6 -62.2 -44.0 45.9 40.6 46.9 73 78 A V H X S+ 0 0 0 -4,-3.0 4,-1.5 -5,-0.3 -1,-0.2 0.880 110.7 55.8 -68.0 -35.8 48.7 41.6 44.6 74 79 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.4 3,-0.4 0.937 107.1 48.6 -60.2 -48.0 47.7 45.3 44.9 75 80 A I H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 3,-0.3 0.903 107.5 55.7 -59.3 -43.5 48.0 45.2 48.7 76 81 A A H < S+ 0 0 2 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.824 113.9 40.4 -59.3 -34.0 51.4 43.6 48.4 77 82 A H H < S+ 0 0 26 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.651 104.1 65.6 -91.1 -16.9 52.7 46.4 46.2 78 83 A A H < S+ 0 0 2 -4,-1.5 2,-0.2 -3,-0.3 -2,-0.2 0.629 105.7 47.6 -79.1 -13.9 51.0 49.3 48.1 79 84 A I S < S- 0 0 9 -4,-0.8 152,-0.0 -3,-0.2 85,-0.0 -0.659 94.4-101.8-117.5 175.5 53.1 48.6 51.2 80 85 A R >> - 0 0 156 -2,-0.2 3,-2.6 83,-0.1 4,-2.5 -0.835 38.7-136.4-101.9 97.8 56.9 48.1 51.7 81 86 A P B 34 S+i 84 0C 67 0, 0.0 52,-0.1 0, 0.0 4,-0.1 -0.286 90.8 21.6 -55.3 129.1 57.3 44.3 52.2 82 87 A G T 34 S+ 0 0 38 2,-0.6 51,-0.2 50,-0.5 3,-0.1 0.154 127.3 53.3 98.0 -19.4 59.7 43.7 55.1 83 88 A F T <4 S+ 0 0 73 -3,-2.6 79,-0.1 49,-0.1 2,-0.1 0.761 101.5 52.0-109.8 -58.5 59.0 47.1 56.6 84 89 A D B < S-i 81 0C 1 -4,-2.5 -2,-0.6 78,-0.1 2,-0.3 -0.361 84.8-119.3 -77.1 162.7 55.2 47.4 56.9 85 90 A W E -b 164 0A 16 78,-2.6 80,-2.5 -4,-0.1 2,-0.4 -0.776 17.7-155.7-106.2 151.7 53.2 44.6 58.7 86 91 A V E -bc 165 134A 0 47,-2.9 49,-2.2 -2,-0.3 80,-0.2 -0.991 8.5-168.2-128.0 131.3 50.5 42.4 57.3 87 92 A F E +b 166 0A 0 78,-2.5 80,-1.7 -2,-0.4 49,-0.1 -0.823 29.7 176.8-118.7 85.6 47.7 40.8 59.3 88 93 A P - 0 0 3 0, 0.0 50,-0.3 0, 0.0 2,-0.3 -0.200 23.1-134.0 -84.3 175.1 46.2 38.3 56.8 89 94 A Y > - 0 0 13 48,-0.1 3,-2.2 -2,-0.0 48,-0.1 -0.753 43.7 -81.6-122.5 172.5 43.5 35.7 56.9 90 95 A Y T 3 S+ 0 0 46 48,-0.3 3,-0.3 1,-0.3 -27,-0.2 0.618 122.2 60.1 -52.0 -18.9 43.6 32.1 55.6 91 96 A R T 3 S+ 0 0 1 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.458 80.4 90.8 -93.0 3.8 42.7 33.1 52.0 92 97 A D <> + 0 0 1 -3,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.026 37.7 118.7 -89.4 29.2 45.8 35.3 51.5 93 98 A H H > S+ 0 0 2 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.821 79.0 54.7 -64.1 -25.3 48.4 32.9 50.0 94 99 A G H > S+ 0 0 2 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.898 108.6 47.6 -70.8 -40.0 48.5 35.0 46.9 95 100 A L H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.910 110.2 53.3 -64.8 -41.6 49.2 38.1 48.9 96 101 A A H X>S+ 0 0 0 -4,-2.5 5,-1.9 2,-0.2 4,-0.7 0.899 110.1 47.7 -60.4 -42.0 51.9 36.1 50.8 97 102 A L H ><5S+ 0 0 33 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.956 112.0 47.7 -64.3 -50.8 53.5 35.1 47.5 98 103 A A H 3<5S+ 0 0 17 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.765 105.7 62.0 -61.8 -25.0 53.5 38.7 46.1 99 104 A L H 3<5S- 0 0 6 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.733 122.6-103.6 -74.5 -22.4 54.9 39.9 49.3 100 105 A G T <<5 + 0 0 47 -3,-1.4 -3,-0.2 -4,-0.7 -2,-0.1 0.407 64.9 153.1 115.7 -2.4 58.0 37.8 48.8 101 106 A I < - 0 0 5 -5,-1.9 -1,-0.3 1,-0.1 5,-0.1 -0.445 54.9-105.0 -62.1 126.0 57.5 34.8 51.1 102 107 A P >> - 0 0 58 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.225 15.9-130.8 -54.1 136.3 59.4 31.8 49.7 103 108 A L H 3> S+ 0 0 22 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.815 109.0 65.4 -57.0 -29.8 57.3 29.2 48.0 104 109 A K H 3> S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.877 105.2 42.0 -59.8 -40.0 59.2 26.7 50.1 105 110 A E H <> S+ 0 0 45 -3,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.861 114.7 48.9 -76.8 -38.9 57.7 28.2 53.2 106 111 A L H X S+ 0 0 1 -4,-1.9 4,-1.5 2,-0.2 19,-0.2 0.904 119.8 38.5 -67.1 -41.7 54.2 28.6 51.9 107 112 A L H X S+ 0 0 1 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.840 110.5 59.3 -77.6 -34.4 54.2 25.0 50.6 108 113 A G H X>S+ 0 0 0 -4,-1.8 5,-2.4 -5,-0.3 4,-0.7 0.890 109.2 46.1 -60.4 -36.5 56.1 23.7 53.6 109 114 A Q H <5S+ 0 0 1 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.884 109.3 53.6 -73.0 -38.6 53.2 25.0 55.7 110 115 A M H <5S+ 0 0 1 -4,-1.5 -50,-0.4 1,-0.2 -49,-0.2 0.831 120.6 33.2 -64.3 -32.3 50.6 23.5 53.4 111 116 A L H <5S- 0 0 30 -4,-2.2 -1,-0.2 -52,-0.1 -2,-0.2 0.431 106.2-127.2-102.1 -4.2 52.4 20.1 53.8 112 117 A A T <5 + 0 0 13 -4,-0.7 193,-0.7 -5,-0.2 -3,-0.2 0.927 56.1 148.5 57.2 49.2 53.5 20.6 57.3 113 118 A T B > < -J 304 0D 13 -5,-2.4 3,-2.3 191,-0.2 7,-0.2 -0.549 68.6 -93.0-104.3 175.7 57.1 19.8 56.6 114 119 A K T 3 S+ 0 0 100 189,-3.1 5,-0.1 1,-0.3 186,-0.1 0.628 119.3 76.5 -64.2 -10.3 60.2 21.1 58.4 115 120 A A T 3 S+ 0 0 17 184,-0.4 -1,-0.3 188,-0.3 -7,-0.2 0.682 73.9 94.5 -72.9 -17.1 60.2 23.7 55.6 116 121 A D X - 0 0 1 -3,-2.3 3,-2.5 -8,-0.5 -11,-0.1 -0.662 66.4-155.9 -79.3 115.7 57.4 25.5 57.4 117 122 A P T 3 S+ 0 0 33 0, 0.0 324,-0.2 0, 0.0 -1,-0.2 0.667 98.8 60.3 -64.8 -12.0 58.8 28.2 59.6 118 123 A N T > S- 0 0 2 -13,-0.2 3,-1.5 322,-0.1 321,-0.5 0.334 111.9-127.8 -93.8 3.6 55.6 27.7 61.6 119 124 A K T < - 0 0 48 -3,-2.5 1178,-0.1 1,-0.3 -5,-0.1 0.738 51.6 -72.5 56.9 32.7 56.7 24.1 62.2 120 125 A G T 3 S+ 0 0 0 -7,-0.2 1177,-2.3 1,-0.1 1176,-0.3 0.782 92.0 141.0 56.3 28.9 53.5 22.5 60.9 121 126 A R < + 0 0 0 -3,-1.5 1175,-1.3 316,-0.2 2,-0.2 0.795 61.9 37.2 -71.9 -30.0 51.7 23.7 64.1 122 127 A Q S S- 0 0 3 315,-0.2 999,-0.2 1173,-0.2 4,-0.1 -0.746 93.3 -88.0-121.3 170.6 48.5 24.5 62.3 123 128 A M - 0 0 10 997,-0.3 3,-0.2 -2,-0.2 -1,-0.1 -0.144 66.8 -66.5 -67.6 167.7 46.3 23.2 59.5 124 129 A P S S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -14,-0.1 -0.075 115.7 42.7 -54.7 158.2 47.0 24.3 55.9 125 130 A E S S+ 0 0 0 -19,-0.2 -33,-0.2 -3,-0.1 -2,-0.1 0.826 82.0 109.2 71.5 34.8 46.5 27.9 54.8 126 131 A H + 0 0 5 -3,-0.2 -4,-0.1 -20,-0.1 -36,-0.1 -0.362 43.2 163.2-133.0 53.2 48.1 29.4 57.9 127 132 A P + 0 0 9 0, 0.0 10,-2.0 0, 0.0 2,-0.3 -0.182 8.3 174.1 -68.0 166.6 51.3 30.8 56.6 128 133 A G - 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0 0 20 -4,-2.9 4,-2.1 -5,-0.4 3,-1.3 0.004 34.6 -66.6 89.0 163.0 52.7 61.0 79.4 383 50 B P T 34 S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.708 126.5 60.6 -61.7 -26.9 49.8 59.7 77.3 384 51 B D T 34 S+ 0 0 90 -3,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.220 115.8 35.9 -87.7 16.9 51.9 57.7 74.8 385 52 B R T <4 S+ 0 0 36 -3,-1.3 -26,-2.9 1,-0.2 2,-0.5 0.513 126.3 34.1-133.5 -37.4 53.1 55.7 77.8 386 53 B V E < S-m 359 0F 2 -4,-2.1 2,-0.5 -28,-0.2 -1,-0.2 -0.924 81.8-176.3-125.3 100.6 50.0 55.5 79.9 387 54 B M E -m 360 0F 6 -28,-2.9 -26,-1.6 -2,-0.5 2,-0.2 -0.887 24.2-142.0-115.9 129.9 47.0 55.3 77.7 388 55 B D E -m 361 0F 67 -2,-0.5 -26,-0.2 -28,-0.2 -2,-0.0 -0.576 29.9-157.0 -75.5 140.3 43.3 55.3 78.5 389 56 B T - 0 0 13 -28,-1.8 -26,-0.3 -2,-0.2 -25,-0.0 -0.666 24.3 -87.4-117.4 170.4 41.4 53.0 76.1 390 57 B P - 0 0 14 0, 0.0 2,-2.0 0, 0.0 -1,-0.1 -0.325 57.9 -94.6 -67.2 163.2 37.9 52.6 74.8 391 58 B L S S+ 0 0 47 437,-0.2 2,-0.5 4,-0.1 440,-0.2 -0.299 87.1 119.4 -81.7 57.0 35.8 50.3 77.1 392 59 B S > - 0 0 1 -2,-2.0 4,-2.2 1,-0.1 5,-0.1 -0.956 47.5-164.9-126.2 115.4 36.5 47.2 75.2 393 60 B E H > S+ 0 0 7 -2,-0.5 4,-2.2 1,-0.2 5,-0.3 0.790 94.1 53.1 -67.1 -27.9 38.2 44.2 76.8 394 61 B A H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.902 109.5 48.6 -73.1 -40.5 38.9 42.6 73.4 395 62 B A H > S+ 0 0 0 3,-0.2 4,-2.4 2,-0.2 5,-0.3 0.913 112.7 49.2 -64.3 -41.8 40.5 45.8 72.1 396 63 B I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.980 118.4 36.2 -61.5 -58.6 42.7 46.0 75.3 397 64 B V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.934 121.3 46.2 -62.2 -48.8 43.9 42.4 75.2 398 65 B G H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.905 114.1 46.4 -62.9 -44.6 44.2 42.2 71.5 399 66 B A H X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.3 5,-0.2 0.915 110.4 54.8 -64.1 -41.4 45.9 45.5 71.0 400 67 B A H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.928 108.3 49.3 -56.1 -44.5 48.3 44.6 73.8 401 68 B L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.929 111.8 48.0 -60.4 -46.3 49.1 41.4 72.0 402 69 B G H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.893 112.8 48.7 -61.7 -41.0 49.7 43.4 68.7 403 70 B M H X>S+ 0 0 0 -4,-3.2 5,-2.8 2,-0.2 4,-2.1 0.904 112.3 48.1 -64.8 -43.3 51.9 45.9 70.6 404 71 B A H <5S+ 0 0 4 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.883 110.4 51.5 -66.1 -39.4 53.9 43.1 72.3 405 72 B A H <5S+ 0 0 15 -4,-2.5 38,-0.2 -5,-0.2 -1,-0.2 0.840 114.3 45.0 -66.9 -32.1 54.4 41.3 69.0 406 73 B H H <5S- 0 0 27 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.808 132.2 -69.8 -84.9 -32.8 55.7 44.5 67.4 407 74 B G T <5S+ 0 0 29 -4,-2.1 -3,-0.2 1,-0.3 2,-0.2 0.414 93.0 103.0 159.9 -7.5 58.1 45.9 70.0 408 75 B L < - 0 0 3 -5,-2.8 -1,-0.3 -6,-0.1 -51,-0.2 -0.562 58.1-138.5 -97.1 164.6 56.4 47.2 73.1 409 76 B R E -l 357 0F 19 -53,-3.2 -51,-1.0 -2,-0.2 2,-0.2 -0.745 35.1-167.8-120.6 77.7 56.2 45.6 76.5 410 77 B P E -l 358 0F 1 0, 0.0 37,-2.5 0, 0.0 2,-0.6 -0.418 21.5-159.1 -74.8 141.4 52.6 46.4 77.4 411 78 B V E -ln 359 447F 1 -53,-3.0 -51,-1.7 35,-0.2 2,-0.3 -0.937 22.3-165.4-118.3 100.2 51.0 46.0 80.8 412 79 B A E -ln 360 448F 0 35,-3.3 37,-3.5 -2,-0.6 2,-0.4 -0.646 6.0-150.3 -90.8 146.0 47.3 45.8 80.1 413 80 B E E - n 0 449F 5 -53,-2.1 2,-0.6 -2,-0.3 -51,-0.5 -0.963 8.0-162.0-119.9 133.1 44.6 46.2 82.8 414 81 B I - 0 0 1 35,-2.4 6,-0.1 -2,-0.4 5,-0.1 -0.972 27.5-133.1-109.5 113.0 41.2 44.6 82.7 415 82 B Q S S+ 0 0 34 -2,-0.6 2,-0.3 35,-0.1 -1,-0.1 0.758 87.3 8.3 -36.7 -45.1 39.2 46.7 85.3 416 83 B F S > S- 0 0 19 34,-0.1 3,-2.6 1,-0.1 36,-0.2 -0.993 71.2-127.2-141.5 139.4 37.8 43.5 87.0 417 84 B A G > S+ 0 0 0 34,-2.8 3,-1.7 -2,-0.3 4,-0.3 0.813 109.7 69.2 -54.3 -29.7 38.8 39.9 86.3 418 85 B D G 3 S+ 0 0 0 1,-0.3 3,-0.4 33,-0.3 -1,-0.3 0.723 94.7 56.0 -61.4 -22.5 35.0 39.4 85.8 419 86 B Y G < S+ 0 0 24 -3,-2.6 4,-0.3 1,-0.2 -1,-0.3 0.189 75.2 96.6 -99.0 17.7 35.3 41.4 82.6 420 87 B I X + 0 0 0 -3,-1.7 3,-1.5 1,-0.2 7,-0.2 0.797 67.2 78.4 -73.6 -26.6 38.0 39.3 80.9 421 88 B F G > S+ 0 0 2 -3,-0.4 3,-2.4 1,-0.3 666,-0.4 0.837 82.3 58.2 -54.8 -43.7 35.4 37.3 79.0 422 89 B P G 3 S+ 0 0 18 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.803 116.0 41.0 -59.6 -21.8 34.5 39.8 76.2 423 90 B G G <> S+ 0 0 0 -3,-1.5 4,-2.3 -4,-0.3 -2,-0.2 0.176 84.7 110.3-108.1 18.3 38.3 39.6 75.5 424 91 B F H <> S+ 0 0 0 -3,-2.4 4,-2.9 659,-0.2 5,-0.4 0.882 74.2 51.6 -61.7 -43.3 38.5 35.9 75.9 425 92 B D H >>S+ 0 0 4 658,-0.5 4,-2.7 -4,-0.4 5,-1.0 0.916 110.8 49.6 -63.0 -40.0 39.1 35.0 72.3 426 93 B Q H >>S+ 0 0 0 3,-0.2 5,-2.8 2,-0.2 4,-0.9 0.926 113.5 47.7 -62.6 -42.8 41.9 37.5 72.1 427 94 B L H <>S+ 0 0 0 -4,-2.3 5,-2.6 -7,-0.2 -2,-0.2 0.958 125.3 25.6 -64.5 -51.5 43.4 36.0 75.3 428 95 B V H <5S+ 0 0 0 -4,-2.9 5,-0.2 3,-0.2 -3,-0.2 0.817 128.7 39.5 -86.2 -32.1 43.2 32.3 74.3 429 96 B S H <5S+ 0 0 1 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.883 132.0 17.3 -85.9 -39.7 43.3 32.4 70.5 430 97 B Q T X4 S+ 0 0 9 -5,-0.2 4,-3.2 -6,-0.1 5,-0.4 0.455 85.7 97.9-101.4 -1.3 49.0 30.6 71.1 434 101 B L H S+ 0 0 37 -4,-0.5 5,-2.3 -121,-0.2 6,-0.2 0.935 119.8 46.3 -61.4 -44.5 54.5 31.7 70.0 436 103 B Y H >45S+ 0 0 1 -4,-0.3 3,-1.4 -122,-0.3 -2,-0.2 0.950 113.5 43.7 -64.0 -54.2 53.2 28.2 69.4 437 104 B R H 3<5S+ 0 0 2 -4,-3.2 -316,-0.2 1,-0.3 -315,-0.2 0.752 113.1 53.1 -67.5 -22.9 51.3 28.7 66.1 438 105 B S T ><5S- 0 0 0 -4,-1.6 3,-1.7 -5,-0.4 -1,-0.3 0.322 111.3-116.5 -94.2 8.7 54.1 30.8 64.6 439 106 B G T < 5S- 0 0 8 -3,-1.4 -3,-0.2 -321,-0.5 -320,-0.1 0.778 75.1 -55.4 63.1 24.4 56.8 28.3 65.3 440 107 B G T 3 > - 0 0 3 1,-0.2 4,-0.7 4,-0.2 3,-0.5 0.452 36.3-159.3 -87.6 -1.0 31.1 42.4 94.5 459 126 B G G >4 - 0 0 0 174,-0.3 3,-0.6 1,-0.2 -1,-0.2 -0.169 58.6 -22.3 56.8-150.5 28.2 40.1 93.6 460 127 B H G 34 S+ 0 0 1 1,-0.2 172,-0.3 318,-0.1 4,-0.3 0.845 143.1 28.1 -61.6 -41.1 28.4 38.3 90.2 461 128 B H G <4 S+ 0 0 2 -3,-0.5 -1,-0.2 1,-0.2 -43,-0.2 0.119 116.5 51.7-116.2 24.0 30.8 40.6 88.4 462 129 B H S << S+ 0 0 35 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.2 -0.013 110.7 46.1-140.2 25.4 33.1 42.2 91.0 463 130 B S S S+ 0 0 0 -5,-0.3 -2,-0.1 -3,-0.3 -3,-0.1 0.495 73.8 129.4-143.7 -15.2 34.1 39.0 92.8 464 131 B Q - 0 0 30 -4,-0.3 -11,-1.7 -6,-0.1 -47,-0.2 -0.001 39.8-158.3 -53.9 152.3 35.1 36.3 90.3 465 132 B S > + 0 0 7 -13,-0.2 3,-0.5 130,-0.1 -1,-0.1 -0.742 18.8 170.9-131.9 79.1 38.4 34.3 90.4 466 133 B P T >> + 0 0 2 0, 0.0 3,-1.5 0, 0.0 4,-0.9 0.278 35.4 121.0 -74.6 6.7 38.8 33.1 86.7 467 134 B E H >> + 0 0 3 1,-0.3 4,-2.8 2,-0.2 3,-0.6 0.779 66.4 63.7 -44.2 -37.3 42.3 31.7 87.1 468 135 B A H <> S+ 0 0 4 -3,-0.5 4,-2.6 1,-0.3 -1,-0.3 0.901 96.5 57.2 -56.7 -43.3 41.2 28.2 86.0 469 136 B H H <4 S+ 0 0 7 -3,-1.5 4,-0.3 1,-0.2 -1,-0.3 0.857 113.2 41.7 -55.6 -36.0 40.2 29.4 82.6 470 137 B F H X< S+ 0 0 0 -4,-0.9 3,-1.3 -3,-0.6 6,-0.3 0.917 111.9 50.8 -79.6 -46.6 43.8 30.7 82.2 471 138 B V H 3< S+ 0 0 3 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.872 108.6 55.2 -58.4 -36.6 45.7 27.7 83.7 472 139 B H T 3< S+ 0 0 10 -4,-2.6 2,-0.8 -5,-0.3 -1,-0.3 0.660 93.7 82.0 -71.3 -16.0 43.7 25.5 81.4 473 140 B T S X S- 0 0 9 -3,-1.3 3,-1.4 -4,-0.3 -1,-0.1 -0.809 83.2-133.3 -97.3 106.0 44.9 27.5 78.4 474 141 B A T 3 S+ 0 0 14 -2,-0.8 818,-0.1 1,-0.2 3,-0.1 -0.280 87.4 38.9 -57.6 133.3 48.3 26.4 77.3 475 142 B G T 3 S+ 0 0 1 1,-0.3 2,-0.4 816,-0.2 -1,-0.2 0.282 90.6 102.2 110.5 -9.7 50.7 29.3 76.6 476 143 B L < - 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