==== 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 06-DEC-04 2BFD . COMPND 2 MOLECULE: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MACHIUS,R.M.WYNN,J.L.CHUANG,D.R.TOMCHICK,C.A.BRAUTIGAM, D. . 706 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 482 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 44 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.1 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 3 1 0 0 3 0 1 2 3 0 2 1 1 1 0 0 0 0 0 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 5 1 2 4 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 . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 0 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 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 K 0 0 187 0, 0.0 2,-0.1 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 -60.3 45.5 -1.9 45.0 2 7 A P - 0 0 31 0, 0.0 7,-0.2 0, 0.0 9,-0.0 -0.495 360.0-160.6 -64.6 144.6 49.0 -3.0 43.9 3 8 A Q + 0 0 187 -2,-0.1 5,-0.1 5,-0.1 3,-0.0 0.083 36.5 139.3-117.8 26.4 51.6 -1.0 45.7 4 9 A F > - 0 0 149 1,-0.1 3,-1.1 5,-0.1 5,-0.1 -0.528 48.0-144.6 -80.8 132.3 54.6 -1.5 43.5 5 10 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.806 91.3 64.5 -60.9 -31.3 56.8 1.5 42.8 6 11 A G T 3 S+ 0 0 80 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.645 109.0 17.9 -77.7 -12.7 57.6 0.5 39.2 7 12 A A < - 0 0 75 -3,-1.1 2,-0.6 2,-0.1 -3,-0.1 -0.996 60.4-133.0-157.3 153.3 54.2 0.7 37.7 8 13 A S + 0 0 132 -2,-0.3 2,-0.3 -5,-0.1 -5,-0.1 -0.957 57.8 118.6-108.8 112.8 50.7 2.1 38.2 9 14 A A - 0 0 67 -2,-0.6 2,-0.2 -7,-0.2 -5,-0.1 -0.979 55.8-110.8-166.1 165.7 48.2 -0.6 37.5 10 15 A E - 0 0 156 -2,-0.3 2,-0.1 -9,-0.1 -2,-0.0 -0.578 41.2 -97.8 -95.5 169.7 45.4 -2.7 38.9 11 16 A F - 0 0 120 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 -0.477 30.6-158.1 -77.1 155.8 45.5 -6.4 39.6 12 17 A I - 0 0 104 -2,-0.1 4,-0.1 1,-0.0 0, 0.0 -0.997 9.4-156.6-132.1 141.1 44.1 -8.9 37.1 13 18 A D S S+ 0 0 151 -2,-0.4 2,-0.4 2,-0.1 -1,-0.0 0.276 72.2 68.1-103.4 14.7 43.0 -12.4 38.2 14 19 A K S S- 0 0 123 2,-0.1 2,-0.6 0, 0.0 0, 0.0 -0.986 85.4-113.8-132.4 143.8 43.4 -14.2 34.8 15 20 A L + 0 0 144 -2,-0.4 2,-0.4 2,-0.0 -2,-0.1 -0.638 47.2 159.5 -79.4 120.5 46.5 -14.9 32.8 16 21 A E - 0 0 110 -2,-0.6 2,-0.2 -4,-0.1 -2,-0.1 -0.931 30.4-145.5-145.9 114.9 46.5 -12.8 29.6 17 22 A F - 0 0 189 -2,-0.4 2,-0.5 1,-0.1 -2,-0.0 -0.530 26.2-119.0 -75.5 146.0 49.5 -12.0 27.6 18 23 A I - 0 0 160 -2,-0.2 -1,-0.1 1,-0.0 -2,-0.0 -0.788 30.1-148.3 -88.5 126.2 49.4 -8.5 25.9 19 24 A Q - 0 0 161 -2,-0.5 2,-0.1 1,-0.0 -3,-0.0 -0.764 12.8-117.2 -99.7 142.1 49.5 -8.9 22.2 20 25 A P - 0 0 95 0, 0.0 2,-0.9 0, 0.0 3,-0.2 -0.515 17.4-134.8 -68.9 142.9 51.1 -6.4 19.8 21 26 A N + 0 0 127 1,-0.2 5,-0.2 -2,-0.1 211,-0.1 -0.804 51.1 140.3 -97.7 89.7 48.8 -4.7 17.2 22 27 A V + 0 0 59 -2,-0.9 3,-0.5 3,-0.1 -1,-0.2 0.837 61.5 55.1-102.4 -35.5 51.0 -5.0 14.1 23 28 A I S S+ 0 0 168 1,-0.3 2,-0.5 -3,-0.2 -1,-0.1 0.838 119.8 34.5 -69.3 -33.2 48.6 -5.8 11.3 24 29 A S S S+ 0 0 89 3,-0.0 -1,-0.3 0, 0.0 208,-0.1 -0.816 95.2 172.1-117.5 81.9 46.5 -2.7 12.1 25 30 A G - 0 0 28 -2,-0.5 -3,-0.1 -3,-0.5 3,-0.1 -0.041 45.3 -51.4 -85.6-169.5 49.2 -0.4 13.2 26 31 A I S S- 0 0 52 206,-0.2 -1,-0.2 -5,-0.2 209,-0.1 -0.403 72.4-112.8 -62.1 130.1 49.3 3.2 14.0 27 32 A P - 0 0 109 0, 0.0 2,-0.7 0, 0.0 220,-0.5 -0.221 22.9-111.5 -73.4 164.8 47.6 4.9 11.1 28 33 A I E -a 247 0A 91 218,-0.1 2,-0.3 -3,-0.1 220,-0.3 -0.837 27.8-132.5-101.8 114.9 49.5 7.2 8.6 29 34 A Y E +a 248 0A 47 218,-2.8 220,-2.7 -2,-0.7 2,-0.3 -0.501 30.2 179.5 -70.1 132.0 48.5 10.9 8.8 30 35 A R + 0 0 141 -2,-0.3 3,-0.1 218,-0.2 220,-0.0 -0.953 24.6 175.3-132.4 145.4 47.8 12.4 5.5 31 36 A V S S+ 0 0 2 1,-0.4 8,-2.7 -2,-0.3 9,-0.5 0.677 74.2 32.6-114.5 -42.4 46.8 15.9 4.4 32 37 A M B S-H 38 0B 0 6,-0.2 -1,-0.4 7,-0.1 6,-0.2 -0.964 74.0-131.6-123.6 147.0 46.9 15.8 0.6 33 38 A D > - 0 0 44 4,-2.5 3,-2.4 -2,-0.4 -2,-0.0 -0.137 43.0 -87.2 -83.9-179.1 46.1 12.9 -1.8 34 39 A R T 3 S+ 0 0 160 1,-0.3 256,-0.2 2,-0.2 263,-0.1 0.725 128.0 58.0 -67.0 -19.1 48.3 11.8 -4.7 35 40 A Q T 3 S- 0 0 115 2,-0.1 -1,-0.3 262,-0.1 3,-0.1 0.273 121.8-105.7 -90.8 10.8 46.6 14.3 -6.9 36 41 A G S < S+ 0 0 1 -3,-2.4 2,-0.4 1,-0.2 -2,-0.2 0.691 73.0 144.1 78.5 14.5 47.6 17.2 -4.6 37 42 A Q - 0 0 92 1,-0.0 -4,-2.5 264,-0.0 2,-0.3 -0.771 54.2-118.7 -96.5 139.3 44.1 17.6 -3.2 38 43 A I B -H 32 0B 43 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.0 -0.518 23.5-164.2 -73.1 128.1 43.5 18.5 0.5 39 44 A I S S+ 0 0 75 -8,-2.7 -1,-0.1 -2,-0.3 -7,-0.1 0.875 74.8 23.8 -86.5 -38.4 41.5 15.7 2.1 40 45 A N > - 0 0 75 -9,-0.5 3,-2.7 1,-0.1 4,-0.4 -0.932 68.1-152.9-135.1 106.0 40.2 17.3 5.2 41 46 A P G > S+ 0 0 98 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.799 92.1 63.7 -56.1 -29.1 39.9 21.1 5.2 42 47 A S G 3 S+ 0 0 98 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.638 103.2 51.5 -68.8 -12.4 40.3 21.5 8.9 43 48 A E G < S+ 0 0 76 -3,-2.7 -1,-0.3 -12,-0.1 215,-0.1 0.476 78.5 113.3 -99.1 -4.2 43.8 20.1 8.6 44 49 A D < - 0 0 24 -3,-1.4 211,-0.0 -4,-0.4 -12,-0.0 -0.533 55.5-155.2 -74.1 128.5 45.0 22.4 5.8 45 50 A P - 0 0 37 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.651 21.0-144.6 -77.7 -10.6 47.8 24.6 7.2 46 51 A H - 0 0 131 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 0.932 24.1-168.9 44.9 55.4 47.0 27.3 4.5 47 52 A L - 0 0 12 1,-0.1 -1,-0.1 2,-0.1 2,-0.0 -0.455 27.0 -99.7 -68.5 147.4 50.7 28.2 4.2 48 53 A P >> - 0 0 81 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.320 30.3-107.2 -73.6 156.4 51.2 31.3 2.2 49 54 A K H 3> S+ 0 0 108 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.864 116.1 53.2 -52.0 -46.5 52.2 31.2 -1.5 50 55 A E H 3> S+ 0 0 168 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.898 111.7 47.1 -64.0 -35.5 55.8 32.4 -1.0 51 56 A K H <> S+ 0 0 49 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.922 111.9 49.0 -73.5 -41.5 56.4 29.7 1.7 52 57 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.924 111.0 50.0 -65.8 -39.3 54.9 26.9 -0.4 53 58 A L H X S+ 0 0 28 -4,-2.9 4,-3.2 -5,-0.2 5,-0.3 0.871 107.5 54.8 -63.4 -34.5 56.9 27.9 -3.4 54 59 A K H X S+ 0 0 63 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.899 107.7 50.9 -64.9 -38.9 60.1 27.9 -1.1 55 60 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.965 114.7 42.5 -59.1 -48.3 59.2 24.3 -0.2 56 61 A Y H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.923 115.4 47.5 -68.4 -44.1 58.9 23.3 -3.8 57 62 A K H X S+ 0 0 71 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.876 111.2 52.6 -67.2 -34.6 62.0 25.2 -5.0 58 63 A S H X S+ 0 0 7 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.942 112.1 44.6 -64.7 -46.8 64.1 23.8 -2.2 59 64 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.951 117.0 44.7 -63.2 -46.4 63.1 20.2 -3.0 60 65 A T H X S+ 0 0 15 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.875 111.5 52.2 -69.9 -33.4 63.6 20.6 -6.7 61 66 A L H X S+ 0 0 24 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.934 109.4 51.2 -68.2 -37.8 66.9 22.4 -6.3 62 67 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.943 110.2 49.2 -62.8 -40.4 68.0 19.5 -4.1 63 68 A N H X S+ 0 0 18 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.929 110.4 50.1 -67.1 -39.1 67.0 17.1 -6.8 64 69 A T H X S+ 0 0 20 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.919 112.6 46.9 -62.3 -43.1 68.9 19.2 -9.5 65 70 A M H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.922 109.4 55.0 -67.9 -41.5 72.0 19.2 -7.4 66 71 A D H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.872 105.6 51.6 -57.4 -43.5 71.7 15.5 -6.7 67 72 A R H X S+ 0 0 130 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.915 113.7 44.1 -64.2 -44.1 71.6 14.6 -10.4 68 73 A I H X S+ 0 0 28 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.915 117.1 43.3 -63.9 -45.1 74.8 16.6 -11.1 69 74 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.841 110.1 56.6 -77.3 -31.5 76.8 15.4 -8.1 70 75 A Y H X S+ 0 0 94 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.946 110.3 45.2 -61.6 -42.8 75.6 11.8 -8.6 71 76 A E H X S+ 0 0 100 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.895 109.1 57.1 -64.1 -36.0 77.1 12.0 -12.2 72 77 A S H <>S+ 0 0 2 -4,-2.0 5,-2.5 1,-0.2 6,-0.6 0.929 108.5 46.2 -62.3 -39.3 80.2 13.7 -10.8 73 78 A Q H ><5S+ 0 0 24 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.929 107.3 56.3 -69.2 -43.9 80.7 10.6 -8.5 74 79 A R H 3<5S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.828 109.7 47.9 -59.2 -27.8 80.1 8.2 -11.4 75 80 A Q T 3<5S- 0 0 100 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.500 116.6-114.8 -88.0 -3.5 82.9 9.9 -13.2 76 81 A G T < 5S+ 0 0 62 -3,-2.0 -3,-0.2 -4,-0.4 -2,-0.1 0.597 81.1 124.6 78.8 17.6 85.3 9.8 -10.2 77 82 A R S + 0 0 1 -22,-0.2 3,-2.4 -21,-0.0 4,-0.4 0.166 47.0 153.7-107.6 16.7 68.1 12.6 -1.5 85 90 A Y T 3 S+ 0 0 49 1,-0.3 198,-0.9 2,-0.2 199,-0.6 -0.225 72.1 9.0 -64.0 128.9 65.5 11.0 -3.8 86 91 A G T 3 S+ 0 0 0 196,-0.1 195,-0.3 197,-0.1 -1,-0.3 0.186 118.1 76.5 89.0 -14.9 62.2 10.3 -2.0 87 92 A E <> + 0 0 5 -3,-2.4 4,-2.3 1,-0.1 5,-0.3 0.257 60.6 97.5-109.4 10.7 63.3 12.2 1.1 88 93 A E H > S+ 0 0 0 -4,-0.4 4,-2.6 1,-0.2 5,-0.2 0.908 84.8 48.1 -68.4 -36.9 62.8 15.7 -0.2 89 94 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.876 113.5 45.5 -70.6 -42.4 59.4 16.1 1.4 90 95 A T H > S+ 0 0 1 160,-0.3 4,-1.6 -4,-0.2 5,-0.2 0.921 116.8 45.6 -64.0 -47.5 60.4 14.9 4.8 91 96 A H H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.929 123.4 34.1 -56.2 -55.7 63.7 17.0 4.8 92 97 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -3,-0.2 0.906 115.7 52.8 -79.0 -40.0 62.0 20.2 3.6 93 98 A G H X S+ 0 0 0 -4,-2.5 4,-0.6 -5,-0.2 -1,-0.2 0.859 114.9 43.3 -59.6 -45.6 58.5 19.9 5.2 94 99 A S H >< S+ 0 0 0 -4,-1.6 3,-1.1 -5,-0.4 4,-0.5 0.933 111.1 52.7 -71.4 -39.7 60.0 19.3 8.7 95 100 A A H >< S+ 0 0 3 -4,-1.7 3,-1.4 1,-0.3 -2,-0.2 0.887 105.1 56.9 -64.4 -34.6 62.7 22.1 8.3 96 101 A A H 3< S+ 0 0 4 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.738 103.2 54.6 -65.9 -22.0 59.9 24.5 7.4 97 102 A A T << S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.508 97.0 83.6 -88.1 -6.3 58.1 23.8 10.6 98 103 A L S < S- 0 0 11 -3,-1.4 2,-0.3 -4,-0.5 163,-0.1 -0.552 85.6-109.1 -91.9 160.9 61.2 24.6 12.8 99 104 A D > - 0 0 68 -2,-0.2 3,-2.1 1,-0.1 82,-0.1 -0.625 36.7-111.3 -77.3 149.1 62.4 27.9 13.9 100 105 A N T 3 S+ 0 0 121 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.792 116.2 47.6 -52.2 -30.0 65.6 29.0 12.1 101 106 A T T 3 S+ 0 0 75 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.388 78.8 119.4 -98.4 5.5 67.7 28.6 15.3 102 107 A D S < S- 0 0 0 -3,-2.1 2,-0.3 1,-0.1 80,-0.2 -0.487 70.2-116.4 -67.9 139.7 66.4 25.1 16.3 103 108 A L E -b 182 0A 8 78,-1.4 80,-2.5 -2,-0.2 2,-0.5 -0.609 27.4-152.8 -87.0 136.1 69.4 22.8 16.4 104 109 A V E -bc 183 152A 0 47,-2.5 49,-2.8 -2,-0.3 2,-0.5 -0.887 12.3-171.2-113.1 132.0 69.4 19.9 14.0 105 110 A F E -b 184 0A 2 78,-2.6 80,-2.7 -2,-0.5 2,-0.2 -0.969 22.7-157.1-115.8 127.4 71.2 16.5 14.4 106 111 A G - 0 0 5 47,-0.5 50,-0.3 -2,-0.5 56,-0.2 -0.503 24.4-157.6-105.1-174.5 71.1 14.5 11.2 107 112 A Q - 0 0 14 -2,-0.2 -1,-0.1 48,-0.1 79,-0.1 0.704 65.7 -68.4-138.0 -48.9 71.4 11.0 10.3 108 113 A A S S+ 0 0 26 47,-0.1 2,-0.5 51,-0.0 3,-0.2 0.156 117.3 58.6-173.4 -55.6 72.5 11.0 6.7 109 114 A R + 0 0 48 1,-0.2 3,-0.3 2,-0.1 -18,-0.1 -0.268 67.6 119.6-102.5 45.9 70.1 12.1 4.2 110 115 A E >> + 0 0 2 -2,-0.5 3,-1.9 1,-0.2 4,-1.3 0.239 26.0 115.2 -91.2 15.0 69.5 15.7 5.5 111 116 A A H 3> S+ 0 0 2 1,-0.3 4,-2.6 -3,-0.2 -1,-0.2 0.852 71.3 62.6 -58.5 -31.5 70.6 17.9 2.7 112 117 A G H 3> S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.775 97.5 58.0 -64.0 -26.2 67.1 19.3 2.2 113 118 A V H <> S+ 0 0 0 -3,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.941 110.0 43.3 -65.3 -45.7 67.2 20.8 5.7 114 119 A L H <>S+ 0 0 0 -4,-1.3 5,-2.5 2,-0.2 -2,-0.2 0.902 112.3 54.3 -63.7 -40.2 70.3 22.8 4.8 115 120 A M H ><5S+ 0 0 9 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.943 108.1 48.2 -60.1 -42.6 68.8 23.7 1.5 116 121 A Y H 3<5S+ 0 0 29 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.875 108.1 56.1 -65.4 -34.9 65.7 25.1 3.1 117 122 A R T 3<5S- 0 0 17 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.218 121.9-109.5 -80.2 14.5 68.0 27.0 5.5 118 123 A D T < 5 + 0 0 101 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.760 50.6 176.1 66.8 33.8 69.7 28.6 2.4 119 124 A Y < - 0 0 15 -5,-2.5 -1,-0.2 -6,-0.1 5,-0.1 -0.483 38.9-106.1 -64.6 130.5 73.0 26.8 2.7 120 125 A P >> - 0 0 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84.3 7.6 17.2 481 113 B E T >>4 S+ 0 0 71 -3,-0.6 4,-2.8 -6,-0.2 5,-0.3 0.434 87.8 99.6-103.9 -0.0 86.8 13.2 16.5 485 117 B Y H S+ 0 0 14 -4,-0.4 5,-2.5 -143,-0.2 3,-0.5 0.936 119.1 49.0 -73.2 -44.4 86.3 19.0 16.6 487 119 B Y H >45S+ 0 0 64 -144,-0.3 3,-1.6 -4,-0.3 -2,-0.2 0.928 110.6 48.0 -60.0 -51.9 88.5 17.5 13.9 488 120 B R H 3<5S+ 0 0 19 -4,-2.8 -1,-0.3 1,-0.3 -348,-0.2 0.660 113.7 47.5 -70.4 -19.2 85.7 16.2 11.6 489 121 B S T ><5S- 0 0 2 -4,-0.8 3,-1.4 -3,-0.5 -1,-0.3 0.310 109.7-117.2 -98.4 4.4 83.7 19.4 11.8 490 122 B G T < 5S- 0 0 6 -3,-1.6 -3,-0.2 -354,-0.4 -353,-0.1 0.823 75.3 -57.6 63.1 27.4 86.7 21.7 11.0 491 123 B D T 3 + 0 0 3 -2,-0.3 3,-1.8 -13,-0.3 -39,-0.2 -0.167 51.7 133.3-128.6 38.6 82.6 18.8 22.8 496 128 B G T 3 + 0 0 1 1,-0.3 55,-0.6 54,-0.2 57,-0.1 0.755 63.2 66.8 -60.7 -27.2 85.6 20.3 24.7 497 129 B S T 3 S+ 0 0 16 -42,-0.3 -36,-2.4 53,-0.2 2,-0.4 0.331 80.9 104.4 -82.8 13.0 83.5 21.1 27.7 498 130 B L E < +n 461 0F 0 -3,-1.8 55,-1.6 -38,-0.2 2,-0.4 -0.762 42.7 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63.4-141.9-117.5 156.8 90.9 12.7 23.9 529 161 B K E -p 553 0F 24 23,-2.0 25,-2.7 -2,-0.3 2,-0.4 -0.904 9.9-159.9-111.6 147.7 92.9 13.4 27.0 530 162 B V E -pQ 554 626F 0 96,-2.0 95,-2.4 -2,-0.4 96,-1.1 -0.995 12.8-179.6-131.4 125.1 93.4 10.8 29.8 531 163 B V E -pQ 555 624F 0 23,-2.6 25,-2.5 -2,-0.4 93,-0.2 -0.979 9.9-177.2-135.9 138.2 94.5 11.9 33.2 532 164 B I - 0 0 0 91,-3.0 64,-0.5 -2,-0.4 91,-0.2 -0.979 13.6-152.6-140.4 116.8 95.1 9.9 36.4 533 165 B P - 0 0 0 0, 0.0 64,-0.1 0, 0.0 62,-0.1 -0.516 9.9-151.9 -88.0 163.5 96.1 11.5 39.8 534 166 B R S S+ 0 0 31 -2,-0.2 66,-0.1 1,-0.1 3,-0.1 0.472 72.7 9.8-109.0 -5.5 98.1 10.0 42.6 535 167 B S S > S- 0 0 11 1,-0.1 4,-2.8 -144,-0.1 5,-0.2 -0.968 82.3 -88.8-162.8 170.1 96.7 11.8 45.6 536 168 B P H > S+ 0 0 11 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.938 123.6 46.0 -59.5 -46.6 94.0 14.2 46.9 537 169 B F H > S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.924 116.4 46.2 -63.6 -41.4 95.9 17.4 46.2 538 170 B Q H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.884 110.6 54.1 -66.9 -40.9 96.8 16.1 42.7 539 171 B A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.924 108.2 46.4 -63.0 -45.0 93.3 14.9 42.0 540 172 B K H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.947 116.2 44.6 -66.3 -44.4 91.5 18.2 42.7 541 173 B G H X S+ 0 0 0 -4,-1.7 35,-1.7 -5,-0.2 4,-1.7 0.877 117.4 44.5 -68.3 -35.6 94.0 20.3 40.6 542 174 B L H X S+ 0 0 0 -4,-2.4 4,-2.6 33,-0.2 -1,-0.2 0.892 112.8 51.8 -77.7 -35.7 94.0 17.8 37.7 543 175 B L H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.3 5,-0.2 0.930 108.8 49.4 -66.9 -43.3 90.3 17.5 37.7 544 176 B L H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.921 111.0 51.7 -60.7 -40.0 89.7 21.2 37.6 545 177 B S H X S+ 0 0 15 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.918 110.7 47.5 -61.1 -40.3 92.2 21.3 34.7 546 178 B C H < S+ 0 0 0 -4,-2.6 5,-0.3 2,-0.2 -1,-0.2 0.911 110.8 51.5 -64.3 -45.1 90.2 18.6 32.9 547 179 B I H < S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.902 118.1 38.1 -59.4 -38.0 86.9 20.3 33.5 548 180 B E H < S+ 0 0 66 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.600 91.7 106.8 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