==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-OCT-08 3EY9 . COMPND 2 MOLECULE: PYRUVATE DEHYDROGENASE [CYTOCHROME]; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.NEUMANN,A.WEIDNER,A.PECH,M.T.STUBBS,K.TITTMANN . 1142 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 808 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 178 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.4 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 . 0 0.0 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 . 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 . 104 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 140 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 324 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 6 3 3 3 5 4 2 6 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 2 12 10 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 . 4 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 6 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 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 2 A K 0 0 222 0, 0.0 2,-0.3 0, 0.0 168,-0.1 0.000 360.0 360.0 360.0 73.5 63.2 57.9 15.0 2 3 A Q - 0 0 60 165,-0.2 165,-2.4 166,-0.1 2,-0.1 -0.874 360.0 -67.6-156.0 175.8 63.3 54.2 14.1 3 4 A T B > -A 166 0A 37 163,-0.3 4,-2.6 -2,-0.3 161,-0.2 -0.333 40.2-115.7 -74.0 160.1 61.9 51.7 11.6 4 5 A V H > S+ 0 0 0 161,-2.2 4,-2.6 158,-0.4 160,-0.2 0.939 120.3 52.5 -57.1 -47.0 58.3 50.6 11.4 5 6 A A H > S+ 0 0 0 158,-2.6 4,-3.1 1,-0.2 5,-0.2 0.950 109.4 47.9 -53.9 -51.8 59.5 47.1 12.4 6 7 A A H > S+ 0 0 15 157,-0.4 4,-3.3 1,-0.2 5,-0.3 0.914 108.7 54.8 -55.5 -44.7 61.3 48.5 15.4 7 8 A Y H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.941 111.4 44.7 -54.5 -50.0 58.2 50.5 16.3 8 9 A I H X S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.984 114.1 48.7 -55.6 -59.8 56.2 47.3 16.2 9 10 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.886 113.5 46.5 -50.8 -46.9 58.8 45.3 18.2 10 11 A K H X S+ 0 0 87 -4,-3.3 4,-2.4 2,-0.2 -1,-0.2 0.912 111.4 51.0 -64.6 -42.7 59.1 48.1 20.9 11 12 A T H X S+ 0 0 5 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.942 110.2 51.0 -59.2 -46.6 55.3 48.4 21.2 12 13 A L H X>S+ 0 0 0 -4,-2.8 5,-2.0 1,-0.2 4,-0.6 0.906 107.5 52.3 -55.3 -46.7 55.1 44.7 21.7 13 14 A E H ><5S+ 0 0 44 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.918 107.5 52.1 -58.5 -43.6 57.7 44.7 24.4 14 15 A S H 3<5S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.866 106.6 53.5 -58.4 -37.2 55.8 47.4 26.2 15 16 A A H 3<5S- 0 0 1 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.610 123.5-112.7 -74.2 -11.6 52.7 45.2 26.0 16 17 A G T <<5 + 0 0 32 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.548 55.5 162.5 95.7 9.8 54.9 42.6 27.6 17 18 A V < - 0 0 8 -5,-2.0 -1,-0.2 1,-0.2 50,-0.1 -0.356 18.6-168.3 -59.6 140.3 55.4 39.9 24.9 18 19 A K + 0 0 141 1,-0.3 24,-2.5 23,-0.1 2,-0.3 0.698 63.4 10.8-104.2 -24.2 58.4 37.8 25.9 19 20 A R E -b 42 0B 26 22,-0.3 49,-0.8 24,-0.0 2,-0.4 -0.988 54.4-143.9-153.4 159.3 58.8 35.9 22.6 20 21 A I E -bc 43 68B 0 22,-2.3 24,-2.1 -2,-0.3 2,-0.4 -0.994 21.1-147.2-128.0 123.5 57.8 35.7 18.9 21 22 A W E +bc 44 69B 0 47,-2.1 49,-2.4 -2,-0.4 2,-0.3 -0.736 46.1 81.8 -94.9 134.4 57.4 32.3 17.2 22 23 A G E -bc 45 70B 0 22,-2.2 24,-2.0 -2,-0.4 2,-0.4 -0.981 67.8 -78.9 172.0-156.5 58.2 31.8 13.6 23 24 A V E - c 0 71B 2 47,-0.6 49,-0.6 -2,-0.3 1028,-0.1 -0.980 44.3-115.7-146.3 129.2 60.8 31.2 10.8 24 25 A T + 0 0 27 1026,-0.4 2,-0.3 -2,-0.4 48,-0.2 -0.034 34.0 164.9 -66.3 161.3 63.0 33.9 9.3 25 26 A G > - 0 0 21 46,-0.1 3,-1.3 1,-0.0 1025,-0.0 -0.939 52.7-101.1-159.4 173.5 63.0 35.3 5.8 26 27 A D G > S+ 0 0 70 -2,-0.3 3,-1.8 1,-0.3 4,-0.3 0.828 119.9 67.5 -68.6 -28.1 64.5 38.3 4.0 27 28 A S G 3 S+ 0 0 19 1,-0.3 73,-0.3 2,-0.1 -1,-0.3 0.523 101.7 48.0 -69.4 -5.4 61.0 39.7 4.1 28 29 A L G <> S+ 0 0 5 -3,-1.3 4,-3.2 71,-0.1 -1,-0.3 0.214 73.2 112.4-118.1 10.5 61.5 39.9 7.9 29 30 A N H <> S+ 0 0 57 -3,-1.8 4,-3.0 1,-0.2 5,-0.3 0.922 77.7 54.3 -51.3 -48.9 64.9 41.6 8.0 30 31 A G H > S+ 0 0 5 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.947 113.3 41.8 -49.4 -52.8 63.5 44.7 9.5 31 32 A L H > S+ 0 0 6 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.935 114.7 50.9 -63.6 -47.9 61.9 42.8 12.3 32 33 A S H X S+ 0 0 21 -4,-3.2 4,-3.0 2,-0.2 5,-0.2 0.966 110.6 48.6 -49.2 -61.3 64.9 40.5 12.8 33 34 A D H X S+ 0 0 86 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.920 114.5 45.9 -45.9 -53.5 67.3 43.5 13.1 34 35 A S H X S+ 0 0 9 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.929 112.5 49.5 -60.6 -46.8 65.0 45.3 15.6 35 36 A L H X S+ 0 0 4 -4,-3.0 4,-2.4 1,-0.2 5,-0.4 0.908 115.1 45.8 -58.1 -42.7 64.5 42.1 17.6 36 37 A N H < S+ 0 0 44 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.910 112.2 48.0 -68.4 -48.2 68.3 41.6 17.7 37 38 A R H < S+ 0 0 216 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.811 116.3 47.4 -59.4 -29.6 69.2 45.2 18.5 38 39 A M H < S- 0 0 38 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.880 80.4-168.9 -84.9 -39.9 66.6 45.1 21.3 39 40 A G < + 0 0 67 -4,-2.4 -3,-0.1 -5,-0.2 -4,-0.1 0.656 60.1 95.1 61.4 18.7 67.6 41.8 22.8 40 41 A T + 0 0 82 -5,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.802 69.3 59.7-108.6 -41.0 64.5 41.6 24.9 41 42 A I S S- 0 0 9 -6,-0.3 2,-0.4 -22,-0.0 -22,-0.3 -0.802 81.7-133.7 -93.8 131.0 62.0 39.6 22.9 42 43 A E E -b 19 0B 107 -24,-2.5 -22,-2.3 -2,-0.5 2,-0.8 -0.696 9.2-135.6 -88.6 131.6 63.2 36.0 22.2 43 44 A W E -b 20 0B 18 -2,-0.4 2,-1.1 -24,-0.2 -22,-0.2 -0.796 13.9-159.7 -87.7 113.5 62.9 34.6 18.7 44 45 A M E -b 21 0B 10 -24,-2.1 -22,-2.2 -2,-0.8 2,-0.4 -0.787 10.1-159.2 -92.9 92.0 61.5 31.1 18.9 45 46 A S E -b 22 0B 6 -2,-1.1 -22,-0.2 -24,-0.2 2,-0.2 -0.607 10.8-171.4 -72.9 125.2 62.5 29.6 15.5 46 47 A T - 0 0 3 -24,-2.0 3,-0.1 -2,-0.4 963,-0.1 -0.482 31.1-120.9-105.6-179.2 60.4 26.5 14.6 47 48 A R S S+ 0 0 7 1,-0.4 2,-0.4 -2,-0.2 -1,-0.1 0.730 101.8 24.5 -97.1 -27.6 60.8 24.0 11.7 48 49 A H S >> S- 0 0 0 390,-0.1 3,-1.1 1,-0.1 4,-1.0 -0.995 76.8-135.4-133.1 137.6 57.4 24.7 10.2 49 50 A E H 3> S+ 0 0 5 -2,-0.4 4,-2.1 1,-0.3 3,-0.2 0.825 101.4 71.5 -66.3 -28.5 55.6 27.9 10.8 50 51 A E H 3> S+ 0 0 4 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.866 98.2 50.9 -51.1 -38.3 52.3 26.1 11.4 51 52 A V H <> S+ 0 0 0 -3,-1.1 4,-3.0 2,-0.2 -1,-0.3 0.865 102.7 58.6 -70.7 -35.7 53.9 25.0 14.7 52 53 A A H X S+ 0 0 0 -4,-1.0 4,-2.7 -3,-0.2 -2,-0.2 0.949 108.5 46.0 -56.4 -47.2 54.9 28.5 15.6 53 54 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.965 112.5 49.2 -59.8 -54.1 51.2 29.5 15.4 54 55 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.931 113.7 47.4 -48.9 -51.4 50.1 26.5 17.4 55 56 A A H X S+ 0 0 0 -4,-3.0 4,-3.4 2,-0.2 5,-0.2 0.936 108.3 52.5 -58.3 -53.4 52.7 27.2 20.1 56 57 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.902 109.5 52.8 -48.1 -44.8 51.8 30.9 20.3 57 58 A G H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.942 110.3 45.3 -55.9 -51.1 48.2 29.8 20.8 58 59 A A H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.917 112.1 52.4 -62.1 -43.1 49.2 27.5 23.7 59 60 A E H X S+ 0 0 9 -4,-3.4 4,-3.1 1,-0.2 6,-0.3 0.932 112.3 45.2 -56.9 -47.9 51.4 30.2 25.2 60 61 A A H X S+ 0 0 1 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.870 111.1 53.9 -62.7 -39.3 48.5 32.7 25.1 61 62 A Q H < S+ 0 0 46 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.912 116.9 36.6 -63.2 -44.5 46.1 30.0 26.5 62 63 A L H < S+ 0 0 22 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.948 123.4 40.1 -73.6 -52.0 48.3 29.4 29.5 63 64 A S H < S- 0 0 50 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.809 89.9-142.2 -69.1 -30.4 49.6 32.9 30.1 64 65 A G < + 0 0 59 -4,-2.3 2,-0.3 1,-0.3 -3,-0.1 0.565 68.5 108.8 73.7 10.1 46.3 34.6 29.4 65 66 A E S S- 0 0 62 -6,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 -0.794 83.0 -75.8-122.4 158.7 48.4 37.3 27.8 66 67 A L - 0 0 5 -2,-0.3 2,-0.3 -51,-0.2 28,-0.2 -0.219 48.4-168.8 -52.4 134.5 49.0 38.4 24.2 67 68 A A E - d 0 94B 0 26,-1.7 28,-2.3 -50,-0.1 2,-0.4 -0.955 4.5-148.1-129.3 151.7 51.3 36.1 22.3 68 69 A V E +cd 20 95B 0 -49,-0.8 -47,-2.1 -2,-0.3 2,-0.3 -0.918 16.8 173.7-129.5 141.9 52.9 36.7 18.9 69 70 A C E -cd 21 96B 0 26,-2.1 28,-2.8 -2,-0.4 2,-0.3 -0.938 10.0-167.9-137.2 164.4 54.0 34.7 15.8 70 71 A A E -cd 22 97B 0 -49,-2.4 -47,-0.6 -2,-0.3 2,-0.3 -0.975 4.5-166.5-151.5 157.7 55.4 35.8 12.5 71 72 A G E -cd 23 98B 0 26,-1.8 28,-2.2 -2,-0.3 6,-0.3 -0.993 28.0-105.4-149.2 148.4 56.1 34.4 9.0 72 73 A S > - 0 0 15 -49,-0.6 5,-2.2 -2,-0.3 6,-0.2 -0.002 58.2 -70.9 -62.4 178.5 58.1 35.5 5.9 73 74 A C T > 5S- 0 0 6 27,-0.2 3,-1.4 3,-0.2 27,-0.2 -0.351 101.4 -5.0 -68.0 154.9 56.3 36.7 2.8 74 75 A G T 3>5S+ 0 0 0 25,-0.3 4,-1.7 1,-0.3 5,-0.1 -0.487 141.0 12.3 70.9-117.4 54.3 34.2 0.7 75 76 A P H 3>5S+ 0 0 3 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.759 121.2 71.0 -68.2 -27.3 54.7 30.6 1.9 76 77 A G H X45S+ 0 0 3 -3,-1.4 3,-0.7 2,-0.2 4,-0.3 0.981 109.3 26.8 -49.5 -70.0 56.2 31.8 5.1 77 78 A N H >4< S+ 0 0 2 -4,-1.7 3,-1.6 1,-0.3 4,-0.3 0.843 90.5 65.6 -57.1 -35.3 50.8 31.0 4.8 79 80 A H T << S+ 0 0 10 -4,-1.6 4,-0.4 -3,-0.7 -1,-0.3 0.700 94.5 61.5 -60.6 -19.3 52.3 28.2 6.8 80 81 A L T X> S+ 0 0 0 -3,-1.9 4,-2.5 -4,-0.3 3,-0.6 0.778 79.1 92.0 -73.0 -26.2 50.7 29.8 9.9 81 82 A I H <> S+ 0 0 4 -3,-1.6 4,-2.2 -4,-0.5 5,-0.2 0.797 83.1 45.0 -51.0 -54.8 47.2 29.5 8.7 82 83 A N H 3> S+ 0 0 2 -4,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.898 116.9 47.7 -56.1 -43.5 46.1 26.2 10.2 83 84 A G H <> S+ 0 0 0 -3,-0.6 4,-2.6 -4,-0.4 -1,-0.2 0.916 107.6 54.7 -62.0 -44.4 47.6 27.1 13.5 84 85 A L H X S+ 0 0 0 -4,-2.5 4,-3.6 1,-0.2 -2,-0.2 0.890 104.2 55.5 -59.0 -39.4 46.0 30.5 13.5 85 86 A F H X S+ 0 0 3 -4,-2.2 4,-3.2 -5,-0.2 5,-0.3 0.925 108.4 48.8 -55.5 -45.8 42.6 28.9 13.0 86 87 A D H X S+ 0 0 1 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.920 112.9 47.0 -60.5 -44.9 43.3 26.9 16.2 87 88 A C H <>S+ 0 0 0 -4,-2.6 5,-1.6 2,-0.2 3,-0.4 0.976 116.3 44.6 -59.5 -53.1 44.4 30.0 18.1 88 89 A H H ><5S+ 0 0 34 -4,-3.6 3,-2.0 1,-0.2 -2,-0.2 0.938 113.8 47.2 -57.6 -54.0 41.3 31.9 16.8 89 90 A R H 3<5S+ 0 0 33 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.720 110.0 56.1 -61.7 -23.2 38.8 29.1 17.5 90 91 A N T 3<5S- 0 0 9 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.375 110.5-124.4 -90.8 2.1 40.3 28.6 20.9 91 92 A H T < 5 + 0 0 67 -3,-2.0 61,-0.2 -4,-0.2 -3,-0.2 0.856 58.3 145.4 62.8 41.3 39.7 32.2 21.8 92 93 A V < - 0 0 3 -5,-1.6 2,-0.7 59,-0.0 -1,-0.2 -0.899 55.7-108.2-114.3 143.6 43.3 33.1 22.7 93 94 A P + 0 0 12 0, 0.0 -26,-1.7 0, 0.0 2,-0.4 -0.556 50.6 158.1 -72.7 109.2 45.0 36.5 22.1 94 95 A V E -de 67 153B 0 58,-1.7 60,-2.2 -2,-0.7 2,-0.5 -0.978 27.7-158.3-136.6 122.4 47.5 36.1 19.3 95 96 A L E -de 68 154B 0 -28,-2.3 -26,-2.1 -2,-0.4 2,-0.5 -0.858 13.2-159.7 -92.4 132.3 49.0 38.8 17.0 96 97 A A E -de 69 155B 1 58,-2.9 60,-2.2 -2,-0.5 2,-0.8 -0.962 4.9-155.8-115.6 118.6 50.4 37.4 13.8 97 98 A I E -de 70 156B 2 -28,-2.8 -26,-1.8 -2,-0.5 2,-0.8 -0.827 11.6-167.0 -91.6 109.2 52.9 39.5 11.9 98 99 A A E -de 71 157B 0 58,-2.5 60,-2.5 -2,-0.8 -26,-0.1 -0.849 10.2-147.6-102.5 101.7 52.7 38.4 8.2 99 100 A A E - e 0 158B 1 -28,-2.2 -25,-0.3 -2,-0.8 -22,-0.3 -0.329 21.0-156.9 -61.1 152.8 55.7 39.7 6.3 100 101 A H E - e 0 159B 1 58,-1.5 60,-2.0 -73,-0.3 -27,-0.2 -0.875 21.5 -85.2-137.6 158.5 54.8 40.5 2.7 101 102 A I - 0 0 0 -2,-0.3 5,-0.1 58,-0.2 -1,-0.1 -0.199 69.2 -70.7 -60.3 157.4 56.4 40.8 -0.7 102 103 A P >> - 0 0 19 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.295 45.1-122.9 -54.4 130.0 57.9 44.2 -1.6 103 104 A S G >4 S+ 0 0 38 1,-0.3 3,-2.1 2,-0.2 -2,-0.1 0.857 106.8 59.0 -35.8 -59.4 55.1 46.8 -2.2 104 105 A S G 34 S+ 0 0 77 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.748 104.1 50.0 -47.6 -35.1 56.3 47.7 -5.7 105 106 A E G X4 S+ 0 0 7 -3,-1.7 3,-1.6 2,-0.1 5,-0.4 0.654 81.2 119.1 -84.7 -14.8 56.0 44.1 -7.0 106 107 A I T << S+ 0 0 57 -3,-2.1 -3,-0.0 -4,-0.8 7,-0.0 -0.240 75.3 24.1 -54.1 133.7 52.4 43.7 -5.7 107 108 A G T 3 S+ 0 0 69 3,-0.1 -1,-0.2 1,-0.0 -2,-0.1 0.448 102.2 86.2 92.6 4.0 49.9 43.0 -8.5 108 109 A S S < S- 0 0 27 -3,-1.6 -2,-0.1 764,-0.0 -3,-0.0 0.331 104.4-103.6-120.7 5.6 52.4 41.6 -11.0 109 110 A G - 0 0 28 -4,-0.2 3,-0.1 1,-0.1 -3,-0.1 0.934 58.0-174.4 66.7 47.7 52.6 38.0 -10.0 110 111 A Y > - 0 0 9 -5,-0.4 3,-2.7 1,-0.2 -1,-0.1 -0.239 38.5 -70.1 -72.1 157.7 55.9 38.5 -8.3 111 112 A F T 3 S+ 0 0 36 1,-0.3 -1,-0.2 737,-0.1 865,-0.2 -0.295 123.2 3.8 -44.8 122.6 58.0 35.7 -6.8 112 113 A Q T 3 S+ 0 0 34 863,-2.5 -1,-0.3 1,-0.2 2,-0.2 0.503 88.4 169.4 74.0 9.6 56.1 34.5 -3.7 113 114 A E < + 0 0 13 -3,-2.7 2,-0.3 862,-0.2 -1,-0.2 -0.336 6.4 148.5 -61.4 118.6 53.0 36.7 -4.2 114 115 A T - 0 0 0 -2,-0.2 -13,-0.2 581,-0.0 3,-0.1 -0.777 47.4-123.3-127.5-178.7 50.1 35.9 -2.0 115 116 A H >> + 0 0 67 -2,-0.3 4,-2.2 1,-0.1 3,-1.8 -0.610 32.2 169.2-126.4 71.6 47.4 38.1 -0.5 116 117 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.889 74.0 67.3 -51.7 -45.6 47.7 37.6 3.3 117 118 A Q H 34 S+ 0 0 33 1,-0.2 38,-0.1 2,-0.2 12,-0.0 0.777 113.3 32.6 -41.7 -37.7 45.3 40.5 4.0 118 119 A E H X4 S+ 0 0 75 -3,-1.8 3,-2.0 2,-0.1 4,-0.3 0.903 112.3 60.1 -87.8 -50.7 42.6 38.4 2.3 119 120 A L H >< S+ 0 0 3 -4,-2.2 3,-0.6 1,-0.3 4,-0.3 0.830 105.9 46.8 -47.2 -45.8 43.6 34.8 3.3 120 121 A F T 3< S+ 0 0 1 -4,-2.0 -1,-0.3 1,-0.2 6,-0.2 0.389 76.9 105.1 -86.6 5.2 43.4 35.3 7.1 121 122 A R T X S+ 0 0 129 -3,-2.0 3,-1.1 -5,-0.2 -1,-0.2 0.914 84.5 46.6 -47.2 -44.3 40.0 37.1 7.2 122 123 A E T < S+ 0 0 50 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.1 0.875 112.0 46.1 -74.4 -37.8 38.4 33.9 8.5 123 124 A C T 3 S+ 0 0 0 -4,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.055 111.4 66.4 -93.5 27.3 40.9 33.0 11.3 124 125 A S < - 0 0 15 -3,-1.1 30,-0.2 -4,-0.1 3,-0.1 -0.985 62.2-147.4-148.0 160.9 41.0 36.6 12.6 125 126 A H S S+ 0 0 53 28,-3.3 2,-0.3 -2,-0.3 29,-0.2 0.430 98.8 14.5 -87.6 -15.7 39.3 39.6 14.3 126 127 A Y E +f 154 0B 32 27,-0.5 29,-3.0 -6,-0.2 -1,-0.3 -0.905 61.1 173.7-169.0 133.4 41.4 42.0 12.2 127 128 A C E +f 155 0B 0 -2,-0.3 2,-0.3 27,-0.2 29,-0.2 -0.829 14.9 160.6-156.7 105.7 43.5 41.7 9.1 128 129 A E E -f 156 0B 68 27,-1.7 29,-3.1 -2,-0.3 2,-0.6 -0.940 34.8-126.4-134.2 153.0 45.1 44.7 7.4 129 130 A L E -f 157 0B 25 -2,-0.3 2,-1.4 27,-0.2 3,-0.2 -0.873 18.4-142.2-100.4 121.3 47.9 45.5 5.0 130 131 A V + 0 0 0 27,-3.4 32,-0.1 -2,-0.6 33,-0.1 -0.662 36.3 157.8 -81.9 94.4 50.4 48.1 6.1 131 132 A S + 0 0 70 -2,-1.4 -1,-0.2 1,-0.2 -28,-0.1 0.923 66.4 36.3 -81.6 -49.9 51.0 49.9 2.8 132 133 A S S > S- 0 0 51 -3,-0.2 3,-2.2 1,-0.1 4,-0.3 -0.880 76.2-134.2-109.1 135.2 52.2 53.2 4.2 133 134 A P G > S+ 0 0 30 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.747 100.7 77.2 -59.6 -16.9 54.3 53.4 7.4 134 135 A E G 3 S+ 0 0 117 1,-0.3 4,-0.3 2,-0.1 33,-0.0 0.752 90.8 52.2 -64.9 -21.7 51.9 56.2 8.4 135 136 A Q G <> S+ 0 0 52 -3,-2.2 4,-2.8 1,-0.2 5,-0.3 0.514 79.3 94.8 -94.7 -5.8 49.3 53.7 9.3 136 137 A I H <> S+ 0 0 0 -3,-1.3 4,-2.5 -4,-0.3 5,-0.4 0.865 80.9 55.2 -57.9 -39.4 51.3 51.5 11.7 137 138 A P H > S+ 0 0 23 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.924 117.1 33.3 -62.7 -45.1 50.3 53.2 14.9 138 139 A Q H > S+ 0 0 105 -4,-0.3 4,-2.1 -3,-0.3 5,-0.3 0.902 118.4 52.6 -79.3 -39.4 46.5 52.8 14.4 139 140 A V H X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.2 -3,-0.2 0.952 115.9 40.6 -56.7 -49.9 46.7 49.5 12.6 140 141 A L H X S+ 0 0 2 -4,-2.5 4,-2.8 -5,-0.3 5,-0.3 0.905 111.4 56.4 -68.6 -41.2 48.8 48.0 15.4 141 142 A A H X S+ 0 0 44 -4,-1.7 4,-1.9 -5,-0.4 -1,-0.2 0.893 113.9 39.7 -55.2 -44.9 46.8 49.6 18.2 142 143 A I H X S+ 0 0 77 -4,-2.1 4,-3.6 2,-0.2 5,-0.4 0.970 114.1 52.7 -70.7 -54.9 43.5 48.1 17.0 143 144 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.905 114.6 42.0 -46.1 -53.8 45.0 44.7 16.1 144 145 A M H X S+ 0 0 3 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.968 115.7 49.1 -61.2 -53.2 46.6 44.3 19.6 145 146 A R H X S+ 0 0 77 -4,-1.9 4,-3.5 -5,-0.3 5,-0.5 0.927 114.8 43.6 -54.6 -51.9 43.5 45.6 21.4 146 147 A K H X S+ 0 0 73 -4,-3.6 4,-2.9 2,-0.2 5,-0.4 0.966 113.4 51.7 -58.3 -52.4 41.1 43.4 19.5 147 148 A A H <>S+ 0 0 0 -4,-2.7 5,-1.9 -5,-0.4 4,-0.3 0.932 119.4 36.5 -48.9 -50.8 43.3 40.4 19.8 148 149 A V H <5S+ 0 0 32 -4,-3.0 3,-0.3 -5,-0.2 -2,-0.2 0.954 127.1 32.9 -70.6 -53.3 43.6 40.9 23.6 149 150 A L H <5S+ 0 0 41 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.2 0.847 123.3 43.7 -80.3 -35.7 40.2 42.2 24.5 150 151 A N T <5S- 0 0 88 -4,-2.9 -1,-0.2 -5,-0.5 -3,-0.2 0.407 108.3-127.6 -85.7 0.9 38.1 40.2 21.9 151 152 A R T 5 + 0 0 100 -5,-0.4 2,-0.3 -4,-0.3 -3,-0.2 0.958 67.8 79.1 54.4 70.7 40.2 37.1 22.7 152 153 A G S -e 100 0B 1 0, 0.0 4,-2.2 0, 0.0 -58,-0.2 -0.307 27.1-120.0 -56.4 142.1 55.8 44.3 3.2 160 161 A G H > S+ 0 0 13 -60,-2.0 4,-0.9 1,-0.2 -130,-0.2 0.813 112.0 50.9 -54.1 -37.8 59.5 44.1 3.9 161 162 A D H >> S+ 0 0 24 2,-0.2 4,-0.8 1,-0.2 3,-0.6 0.916 109.6 49.1 -68.4 -43.8 60.2 47.5 2.3 162 163 A V H >4 S+ 0 0 3 1,-0.2 3,-0.9 2,-0.2 -158,-0.4 0.893 105.5 58.8 -61.0 -40.0 57.5 49.2 4.4 163 164 A A H 3< S+ 0 0 4 -4,-2.2 -158,-2.6 1,-0.3 -159,-0.4 0.791 106.0 49.4 -60.4 -29.4 58.9 47.6 7.6 164 165 A L H << S+ 0 0 37 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.636 91.7 96.2 -85.1 -19.2 62.3 49.2 6.9 165 166 A K S << S- 0 0 71 -3,-0.9 -161,-2.2 -4,-0.8 2,-0.3 -0.280 92.2 -83.8 -66.6 157.5 60.8 52.7 6.4 166 167 A P B -A 3 0A 95 0, 0.0 -163,-0.3 0, 0.0 -1,-0.1 -0.503 42.9-124.8 -69.1 128.2 60.8 55.2 9.3 167 168 A A - 0 0 7 -165,-2.4 -165,-0.2 -2,-0.3 -33,-0.1 -0.190 48.2 -73.7 -58.6 157.2 57.9 54.8 11.7 168 169 A P > - 0 0 16 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 -0.354 43.9-134.9 -57.1 137.4 55.8 57.9 12.3 169 170 A E T 3 S+ 0 0 174 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.881 99.6 50.3 -66.4 -37.0 57.9 60.2 14.5 170 171 A G T 3 S+ 0 0 85 2,-0.1 -1,-0.2 -169,-0.0 -3,-0.0 0.505 82.8 128.1 -78.7 -1.7 55.1 61.2 16.9 171 172 A A < - 0 0 19 -3,-1.0 2,-0.4 1,-0.1 -4,-0.0 -0.264 54.1-135.1 -66.3 138.0 54.0 57.6 17.6 172 173 A T - 0 0 97 1,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.746 15.3-172.4 -88.3 132.4 53.7 56.3 21.1 173 174 A M + 0 0 55 -2,-0.4 -159,-0.2 2,-0.1 2,-0.2 0.527 53.4 107.7 -99.9 -8.8 55.2 52.9 21.9 174 175 A H - 0 0 142 -160,-0.1 2,-0.5 -161,-0.0 -163,-0.1 -0.504 57.2-152.5 -72.6 138.6 53.8 52.7 25.4 175 176 A W - 0 0 16 -2,-0.2 2,-0.7 -164,-0.1 -2,-0.1 -0.942 5.3-145.7-113.7 126.6 50.9 50.2 25.8 176 177 A Y - 0 0 161 -2,-0.5 2,-1.3 1,-0.0 -161,-0.1 -0.842 18.7-134.5 -91.7 119.8 48.2 50.6 28.5 177 178 A H - 0 0 95 -2,-0.7 -1,-0.0 1,-0.0 -2,-0.0 -0.593 25.5-169.5 -72.9 94.4 47.1 47.1 29.7 178 179 A A - 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