==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-FEB-05 2BKB . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [FE]; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.YIKILMAZ,D.W.RODGERS,A.-F.MILLER . 768 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 525 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 9.4 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 . 4 0.5 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 . 27 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.7 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 4 4 0 3 3 6 0 4 0 6 2 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 0 0 0 4 4 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 . 0 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 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 S 0 0 100 0, 0.0 2,-0.3 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 133.4 85.1 106.6 28.3 2 2 A F - 0 0 44 33,-0.3 2,-0.3 34,-0.0 37,-0.1 -0.847 360.0-148.4-112.6 149.3 85.8 107.0 32.0 3 3 A E - 0 0 154 -2,-0.3 29,-0.0 36,-0.0 3,-0.0 -0.841 27.6-110.2-111.8 148.5 88.4 109.2 33.7 4 4 A L - 0 0 28 -2,-0.3 3,-0.1 1,-0.0 28,-0.1 -0.683 41.1-125.2 -76.3 116.0 90.2 108.3 37.0 5 5 A P - 0 0 60 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 -0.365 32.2 -97.5 -63.5 143.6 88.6 110.8 39.5 6 6 A A - 0 0 88 1,-0.1 -3,-0.0 2,-0.1 0, 0.0 -0.241 42.1-102.1 -59.7 149.1 91.3 112.9 41.2 7 7 A L - 0 0 29 1,-0.1 -1,-0.1 2,-0.1 4,-0.1 -0.478 27.4-122.4 -70.0 144.2 92.3 111.7 44.7 8 8 A P S S+ 0 0 67 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.466 90.3 10.4 -68.5 -0.2 90.6 113.8 47.5 9 9 A Y S S- 0 0 32 72,-0.0 -2,-0.1 5,-0.0 2,-0.1 -0.953 96.3 -70.3-163.4 174.2 94.0 114.7 48.8 10 10 A A > - 0 0 63 -2,-0.3 3,-1.7 1,-0.1 4,-0.2 -0.366 55.3-104.7 -71.4 159.8 97.8 114.5 48.1 11 11 A K T 3 S+ 0 0 103 1,-0.3 12,-0.3 2,-0.1 3,-0.2 0.568 118.4 54.6 -67.0 -8.4 99.3 111.0 48.3 12 12 A D T > S+ 0 0 107 1,-0.1 3,-1.4 2,-0.1 -1,-0.3 0.428 78.5 98.4-101.9 -0.5 100.9 111.6 51.7 13 13 A A T < S+ 0 0 25 -3,-1.7 70,-0.2 1,-0.3 -1,-0.1 0.765 84.3 44.9 -59.2 -28.6 97.7 112.7 53.4 14 14 A L T >> S+ 0 0 1 -3,-0.2 4,-1.6 -4,-0.2 3,-0.8 0.440 92.4 159.3 -98.6 1.1 97.0 109.3 55.0 15 15 A A T <4 + 0 0 49 -3,-1.4 4,-0.1 1,-0.3 -3,-0.0 -0.392 55.9 16.4 -70.7 147.5 100.6 108.6 56.2 16 16 A P T 34 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.990 126.3 54.2 -87.8 2.1 101.7 106.9 58.3 17 17 A H T <4 S+ 0 0 49 -3,-0.8 2,-0.4 1,-0.3 -2,-0.2 0.903 132.5 9.6 -59.8 -43.9 98.4 104.8 58.5 18 18 A I S < S- 0 0 2 -4,-1.6 -1,-0.3 -6,-0.1 -4,-0.2 -0.983 95.7-126.9-136.0 123.4 98.7 104.3 54.7 19 19 A S > - 0 0 26 -2,-0.4 4,-2.1 -3,-0.2 5,-0.2 -0.194 15.2-116.8 -73.6 163.2 101.9 105.3 53.1 20 20 A A H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.870 117.2 55.0 -64.2 -36.1 102.5 107.6 50.1 21 21 A E H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.898 105.2 51.7 -66.1 -39.2 104.0 104.7 48.2 22 22 A T H > S+ 0 0 0 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.939 112.6 46.0 -62.3 -43.3 100.9 102.6 48.8 23 23 A I H X>S+ 0 0 2 -4,-2.1 4,-2.5 -12,-0.3 5,-1.3 0.917 107.9 58.0 -64.5 -40.2 98.8 105.4 47.4 24 24 A E H X5S+ 0 0 84 -4,-2.6 4,-0.5 3,-0.2 -1,-0.2 0.927 119.8 29.1 -53.0 -49.3 101.2 105.8 44.5 25 25 A Y H X>S+ 0 0 49 -4,-2.3 5,-2.7 3,-0.2 4,-1.9 0.923 121.6 49.6 -79.7 -47.4 100.6 102.2 43.5 26 26 A H H <>S+ 0 0 0 -4,-3.7 5,-2.5 -5,-0.3 -3,-0.2 0.924 129.2 21.0 -60.3 -47.8 97.1 101.6 44.7 27 27 A Y H <>S+ 0 0 43 -4,-2.5 5,-1.5 -5,-0.3 -3,-0.2 0.937 129.5 45.4 -84.5 -55.1 95.7 104.8 43.1 28 28 A G H << S+ 0 0 2 -4,-2.1 3,-2.5 -5,-0.1 5,-0.3 0.645 81.7 119.1 -93.8 -15.7 83.4 99.0 26.6 43 43 A K T 3< S+ 0 0 126 -4,-1.7 3,-0.1 1,-0.3 4,-0.0 -0.294 89.5 5.8 -55.2 125.9 84.7 101.1 23.7 44 44 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.526 111.5 109.8 78.5 7.5 82.3 100.7 20.8 45 45 A T S X S- 0 0 55 -3,-2.5 3,-1.7 1,-0.0 -1,-0.3 -0.582 86.3-100.1-111.3 174.5 79.8 98.7 22.8 46 46 A A T 3 S+ 0 0 95 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.552 111.6 78.1 -68.6 -7.4 76.3 99.2 24.2 47 47 A F T > S+ 0 0 43 -5,-0.3 3,-1.1 -6,-0.1 -1,-0.3 0.532 72.6 103.3 -79.1 -4.7 77.9 99.8 27.6 48 48 A E T < S+ 0 0 96 -3,-1.7 3,-0.1 -6,-0.2 -5,-0.0 -0.558 78.0 28.0 -78.3 141.6 78.8 103.3 26.3 49 49 A G T 3 S+ 0 0 88 1,-0.4 2,-0.3 -2,-0.2 -1,-0.2 0.295 96.9 118.0 91.5 -10.7 76.6 106.1 27.6 50 50 A K < - 0 0 72 -3,-1.1 -1,-0.4 1,-0.1 2,-0.0 -0.654 66.9-118.3 -90.5 147.3 75.9 104.1 30.8 51 51 A S > - 0 0 43 -2,-0.3 4,-2.2 -3,-0.1 5,-0.2 -0.301 30.8-105.7 -75.4 166.3 77.0 105.3 34.2 52 52 A L H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.924 124.8 49.7 -59.8 -42.0 79.5 103.3 36.2 53 53 A E H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.911 108.4 51.9 -62.9 -43.5 76.6 102.2 38.4 54 54 A E H 4 S+ 0 0 100 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.876 110.9 48.0 -62.1 -37.7 74.5 101.2 35.4 55 55 A I H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 4,-0.3 0.932 109.4 52.7 -67.7 -45.9 77.3 99.1 34.0 56 56 A I H >< S+ 0 0 2 -4,-2.4 3,-0.5 1,-0.3 -2,-0.2 0.848 111.2 47.9 -58.3 -34.7 77.9 97.4 37.4 57 57 A R T 3< S+ 0 0 144 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.367 119.2 37.6 -90.7 6.8 74.3 96.5 37.6 58 58 A S T < S+ 0 0 53 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.2 0.097 103.9 74.4-143.7 26.0 74.1 95.1 34.0 59 59 A S < - 0 0 26 -3,-0.5 2,-0.2 -4,-0.3 -4,-0.0 -0.853 44.8-172.5-138.0 172.4 77.4 93.3 33.4 60 60 A E >> + 0 0 164 -2,-0.3 4,-1.7 -3,-0.0 3,-0.7 -0.813 54.6 21.5-148.0-176.7 79.4 90.2 34.1 61 61 A G H 3> S- 0 0 48 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 -0.087 122.9 -11.6 51.3-141.8 82.9 88.9 33.5 62 62 A G H 3> S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.842 134.9 56.2 -60.1 -39.6 85.7 91.4 32.8 63 63 A V H <> S+ 0 0 22 -3,-0.7 4,-2.6 1,-0.2 5,-0.2 0.947 112.6 42.9 -59.5 -47.8 83.4 94.4 32.3 64 64 A F H X S+ 0 0 32 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.933 111.9 52.7 -64.3 -48.1 81.9 93.9 35.7 65 65 A N H X S+ 0 0 41 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.924 117.0 38.1 -55.5 -47.2 85.2 93.2 37.5 66 66 A N H X S+ 0 0 16 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.926 117.5 48.9 -72.0 -44.9 86.8 96.4 36.2 67 67 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.942 114.4 46.4 -59.7 -47.3 83.7 98.6 36.4 68 68 A A H X S+ 0 0 0 -4,-3.1 4,-3.2 -5,-0.2 -1,-0.2 0.921 112.0 50.2 -62.1 -44.7 83.0 97.5 40.0 69 69 A E H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.853 107.6 54.0 -64.9 -32.9 86.6 97.9 41.0 70 70 A V H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.959 114.5 41.3 -64.1 -47.4 86.7 101.5 39.6 71 71 A W H X S+ 0 0 34 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.925 112.4 54.6 -65.2 -45.0 83.7 102.3 41.7 72 72 A N H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.888 110.0 46.4 -57.8 -42.0 84.9 100.5 44.8 73 73 A H H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.900 110.2 50.9 -70.6 -40.2 88.2 102.4 44.8 74 74 A T H X S+ 0 0 37 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.916 113.6 47.4 -61.8 -39.3 86.7 105.8 44.3 75 75 A F H X S+ 0 0 12 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.925 110.7 52.7 -65.1 -44.1 84.3 105.0 47.2 76 76 A Y H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 4,-0.5 0.914 105.6 52.4 -58.5 -46.9 87.3 103.8 49.2 77 77 A W H >< S+ 0 0 5 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.865 108.9 51.5 -61.8 -33.2 89.3 107.0 48.7 78 78 A N H 3< S+ 0 0 53 -4,-1.4 -1,-0.3 1,-0.2 107,-0.2 0.710 101.4 61.8 -75.8 -18.2 86.3 109.0 49.9 79 79 A C T << S+ 0 0 0 -4,-1.0 103,-2.6 -3,-0.9 2,-0.3 0.536 102.2 63.2 -81.5 -7.8 86.0 106.9 53.0 80 80 A L B < +A 181 0A 1 -3,-0.9 101,-0.2 -4,-0.5 100,-0.1 -0.870 60.3 155.6-118.6 151.9 89.5 108.0 54.1 81 81 A A > - 0 0 14 99,-1.7 3,-0.6 -2,-0.3 2,-0.1 -0.980 40.5-100.3-169.1 156.4 90.8 111.4 55.0 82 82 A P T 3 S+ 0 0 52 0, 0.0 -68,-0.1 0, 0.0 3,-0.1 -0.436 104.8 20.4 -77.8 159.3 93.5 113.3 57.0 83 83 A N T 3 S+ 0 0 177 -70,-0.2 2,-0.1 1,-0.1 97,-0.1 0.884 110.2 95.8 47.3 46.3 92.6 114.8 60.4 84 84 A A < + 0 0 44 -3,-0.6 97,-0.2 95,-0.5 98,-0.2 -0.193 33.7 90.0-131.4-137.1 89.7 112.4 60.6 85 85 A G + 0 0 10 96,-2.3 98,-0.2 95,-0.2 94,-0.2 -0.367 49.6 99.5 70.9-152.2 89.1 109.0 62.2 86 86 A G S S- 0 0 29 92,-0.4 345,-0.1 -2,-0.1 -1,-0.1 -0.422 86.4 -39.2 71.0-145.8 87.8 108.8 65.8 87 87 A E - 0 0 81 343,-0.1 6,-0.1 -2,-0.1 96,-0.0 -0.885 58.0-109.0-122.1 150.7 84.1 108.2 66.2 88 88 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 15,-0.1 -0.251 29.3-160.7 -71.4 162.2 81.0 109.5 64.3 89 89 A T >> + 0 0 116 4,-0.1 4,-1.6 94,-0.1 3,-0.8 -0.611 50.0 15.1-127.6-173.0 78.5 112.0 65.7 90 90 A G H 3> S- 0 0 48 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 -0.016 124.2 -5.2 47.3-139.7 75.0 112.9 64.9 91 91 A K H 3> S+ 0 0 154 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.812 134.4 53.6 -56.1 -38.8 72.9 110.7 62.7 92 92 A V H <> S+ 0 0 8 -3,-0.8 4,-2.3 2,-0.2 5,-0.2 0.933 109.6 48.1 -65.4 -45.7 75.7 108.2 61.9 93 93 A A H X S+ 0 0 32 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.942 112.8 49.4 -58.7 -47.7 76.4 107.7 65.6 94 94 A E H X S+ 0 0 132 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.909 111.3 48.0 -58.5 -46.6 72.7 107.2 66.3 95 95 A A H X S+ 0 0 26 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.899 113.8 46.4 -63.4 -43.1 72.2 104.6 63.5 96 96 A I H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.905 113.4 48.8 -67.2 -41.9 75.3 102.6 64.4 97 97 A A H X S+ 0 0 42 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.906 112.3 49.1 -64.6 -40.7 74.4 102.6 68.1 98 98 A A H < S+ 0 0 91 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.845 120.2 36.1 -68.1 -34.1 70.8 101.5 67.4 99 99 A S H < S+ 0 0 51 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.814 132.4 24.5 -90.1 -32.2 71.9 98.7 65.1 100 100 A F H < S- 0 0 24 -4,-2.9 2,-0.8 -5,-0.2 -3,-0.2 0.392 99.4-118.9-113.8 0.9 75.0 97.5 66.8 101 101 A G S < S+ 0 0 59 -4,-1.7 2,-0.3 -5,-0.3 -4,-0.1 -0.268 86.8 5.4 91.5 -49.7 74.4 98.6 70.4 102 102 A S S > S- 0 0 39 -2,-0.8 4,-1.9 -6,-0.2 3,-0.1 -0.975 74.9-108.2-159.0 162.7 77.4 100.8 70.5 103 103 A F H > S+ 0 0 31 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.896 117.7 59.1 -63.5 -39.6 80.2 102.1 68.2 104 104 A A H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.878 106.6 47.0 -57.4 -39.5 82.7 99.8 70.0 105 105 A D H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 112.8 48.6 -69.9 -40.3 80.6 96.8 69.1 106 106 A F H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.943 111.0 51.0 -62.6 -47.6 80.3 97.9 65.5 107 107 A K H X S+ 0 0 44 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.903 111.5 47.0 -57.4 -44.7 84.0 98.5 65.3 108 108 A A H X S+ 0 0 59 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.917 114.9 46.3 -64.5 -44.1 84.9 95.1 66.7 109 109 A Q H X S+ 0 0 93 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.888 113.3 47.8 -65.8 -42.7 82.5 93.3 64.3 110 110 A F H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.932 113.8 48.3 -63.9 -46.5 83.6 95.2 61.2 111 111 A T H X S+ 0 0 31 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.929 111.3 49.7 -59.2 -47.3 87.2 94.6 62.1 112 112 A D H X S+ 0 0 76 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.906 111.7 48.8 -59.7 -43.6 86.6 90.9 62.7 113 113 A A H X S+ 0 0 22 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.901 111.3 49.8 -63.5 -41.9 84.7 90.6 59.4 114 114 A A H < S+ 0 0 0 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.896 111.6 47.9 -64.7 -42.4 87.5 92.3 57.5 115 115 A I H < S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.886 113.2 48.3 -67.1 -37.9 90.2 90.1 59.0 116 116 A K H < S+ 0 0 144 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.2 0.656 77.9 114.6 -78.4 -16.6 88.3 87.0 58.2 117 117 A N < - 0 0 21 -4,-1.2 2,-0.3 -3,-0.3 4,-0.1 -0.409 66.6-137.7 -59.4 107.5 87.5 87.9 54.6 118 118 A F - 0 0 59 -2,-0.6 2,-0.2 2,-0.1 -1,-0.1 -0.520 58.1 -14.7 -76.6 130.9 89.5 85.1 52.8 119 119 A G S S- 0 0 3 -2,-0.3 2,-0.3 20,-0.1 193,-0.1 -0.508 116.9 -13.0 80.8-151.9 91.5 86.1 49.7 120 120 A S S S+ 0 0 0 -2,-0.2 20,-2.7 38,-0.1 2,-0.3 -0.615 89.4 96.7 -85.9 144.6 90.9 89.4 47.9 121 121 A G E -B 139 0B 0 18,-0.3 36,-2.8 -2,-0.3 37,-0.5 -0.997 56.9 -89.9 169.9-166.4 87.9 91.4 48.7 122 122 A W E -BC 138 156B 0 16,-1.5 16,-3.0 -2,-0.3 2,-0.4 -0.963 17.1-146.6-139.6 152.0 86.1 94.2 50.6 123 123 A T E -BC 137 155B 0 32,-1.9 32,-1.6 -2,-0.3 2,-0.3 -0.991 27.0-169.7-124.1 129.9 84.2 94.6 53.9 124 124 A W E -BC 136 154B 0 12,-3.7 12,-2.1 -2,-0.4 2,-0.5 -0.851 30.3-145.1-125.4 156.6 81.3 97.0 54.1 125 125 A L E +BC 135 153B 1 28,-2.4 27,-3.0 -2,-0.3 28,-1.5 -0.980 40.2 177.6-110.6 123.4 78.8 98.7 56.4 126 126 A V E -BC 134 151B 1 8,-3.0 8,-2.1 -2,-0.5 2,-0.5 -0.849 30.9-134.8-127.8 165.3 75.6 98.9 54.4 127 127 A K E -BC 133 150B 64 23,-2.0 23,-2.9 -2,-0.3 6,-0.2 -0.984 24.9-141.3-119.5 118.5 72.0 100.2 55.0 128 128 A N > - 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0 0 19 -3,-2.8 -4,-0.2 2,-0.1 -20,-0.1 -0.038 27.8-178.9 -43.8 135.9 82.1 92.2 44.6 143 143 A T > - 0 0 2 -87,-0.1 3,-1.7 -6,-0.1 4,-0.1 -0.990 40.8-123.9-143.5 147.7 80.0 95.2 45.7 144 144 A P G > S+ 0 0 4 0, 0.0 3,-2.3 0, 0.0 5,-0.4 0.665 99.6 84.1 -62.9 -14.5 76.8 95.9 47.5 145 145 A L G 3 S+ 0 0 8 1,-0.3 -3,-0.0 3,-0.1 5,-0.0 0.758 83.3 57.9 -60.6 -25.2 75.6 97.8 44.4 146 146 A T G < S+ 0 0 78 -3,-1.7 -1,-0.3 2,-0.0 2,-0.2 0.443 107.8 58.8 -83.9 0.2 74.5 94.5 42.9 147 147 A T S < S- 0 0 78 -3,-2.3 -90,-0.0 2,-0.3 0, 0.0 -0.477 100.4-100.8-112.5-170.9 72.2 94.0 45.9 148 148 A D S S+ 0 0 117 -2,-0.2 2,-0.2 2,-0.1 -3,-0.1 0.482 89.1 99.8 -92.0 -4.2 69.4 96.1 47.4 149 149 A A S S- 0 0 11 -5,-0.4 -2,-0.3 -21,-0.1 -21,-0.2 -0.489 70.4-125.5 -88.6 154.9 71.6 97.6 50.1 150 150 A T E -C 127 0B 64 -23,-2.9 -23,-2.0 -2,-0.2 2,-0.1 -0.860 23.2-126.5-101.8 120.5 73.3 101.0 50.2 151 151 A P E +C 126 0B 9 0, 0.0 -25,-0.2 0, 0.0 3,-0.1 -0.414 34.2 166.4 -64.5 133.0 77.1 101.1 50.8 152 152 A L E - 0 0 3 -27,-3.0 2,-0.3 1,-0.5 37,-0.2 0.710 65.0 -2.1-114.5 -37.8 78.0 103.4 53.7 153 153 A L E -C 125 0B 0 -28,-1.5 -28,-2.4 36,-0.1 -1,-0.5 -0.982 63.5-176.2-153.7 150.3 81.7 102.6 54.5 154 154 A T E -C 124 0B 0 -2,-0.3 2,-0.4 -30,-0.2 -30,-0.2 -0.984 15.4-154.5-150.3 158.8 84.2 100.1 53.1 155 155 A V E -C 123 0B 0 -32,-1.6 -32,-1.9 -2,-0.3 2,-0.5 -0.996 22.4-132.2-135.9 130.5 87.7 98.8 53.6 156 156 A D E +C 122 0B 0 -2,-0.4 -34,-0.2 -34,-0.2 -2,-0.0 -0.715 23.5 177.7 -81.9 122.5 89.8 97.2 50.8 157 157 A V + 0 0 0 -36,-2.8 -35,-0.2 -2,-0.5 -1,-0.1 0.195 36.5 125.3-112.9 16.1 91.4 94.0 52.0 158 158 A W S > S- 0 0 8 -37,-0.5 3,-1.6 -38,-0.2 4,-0.4 -0.501 74.9-116.3 -64.3 146.1 93.0 93.0 48.7 159 159 A E G >> S+ 0 0 9 1,-0.3 4,-3.1 2,-0.2 3,-1.6 0.817 111.4 67.0 -60.7 -30.9 96.7 92.5 49.7 160 160 A H G 34 S+ 0 0 1 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.755 90.4 67.1 -61.3 -21.1 97.9 95.4 47.5 161 161 A A G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.757 124.2 4.8 -70.9 -23.2 96.0 97.8 49.8 162 162 A Y T X>>S+ 0 0 5 -3,-1.6 4,-3.3 -4,-0.4 5,-0.6 0.538 97.5 98.0-138.2 -11.0 98.4 97.0 52.8 163 163 A Y H 3X5S+ 0 0 1 -4,-3.1 4,-1.3 1,-0.2 -3,-0.1 0.817 85.3 53.1 -57.3 -35.6 101.3 94.8 51.8 164 164 A I H 345S+ 0 0 22 -4,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 0.906 122.3 30.3 -65.7 -38.5 103.8 97.5 51.3 165 165 A D H <45S+ 0 0 47 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.781 140.2 13.4 -91.3 -32.1 103.1 98.9 54.8 166 166 A Y H ><5S- 0 0 37 -4,-3.3 3,-2.5 1,-0.2 -3,-0.2 0.399 79.0-158.5-127.7 -0.4 102.1 95.9 56.9 167 167 A R T 3< + 0 0 41 -3,-2.5 4,-1.5 1,-0.2 3,-0.9 -0.396 36.0 160.5 -79.5 67.2 99.7 91.8 59.1 170 170 A R H 3> S+ 0 0 22 -2,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.830 70.8 62.9 -55.9 -33.7 96.2 92.7 57.9 171 171 A P H 3> S+ 0 0 69 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.896 101.7 50.2 -60.9 -37.0 95.1 93.3 61.5 172 172 A G H <> S+ 0 0 19 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.893 108.7 52.5 -65.6 -39.9 97.5 96.2 61.8 173 173 A Y H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.916 108.7 50.4 -61.3 -43.7 96.2 97.7 58.6 174 174 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.890 107.3 53.6 -63.5 -39.0 92.7 97.5 60.0 175 175 A E H X S+ 0 0 92 -4,-2.0 4,-0.5 1,-0.2 3,-0.3 0.942 112.6 43.7 -59.5 -47.3 93.7 99.2 63.2 176 176 A H H >< S+ 0 0 50 -4,-2.1 3,-0.8 1,-0.2 4,-0.3 0.778 102.3 68.4 -69.7 -26.9 95.2 102.1 61.2 177 177 A F H >X S+ 0 0 1 -4,-1.9 3,-2.2 1,-0.2 4,-0.8 0.922 94.5 57.4 -57.2 -44.8 92.2 102.1 58.9 178 178 A W H 3< S+ 0 0 14 -4,-1.5 -92,-0.4 -3,-0.3 3,-0.3 0.772 96.6 61.8 -59.7 -26.8 90.1 103.4 61.8 179 179 A A T << S+ 0 0 34 -3,-0.8 -95,-0.5 -4,-0.5 -1,-0.3 0.583 109.9 43.5 -75.5 -5.8 92.4 106.4 62.3 180 180 A L T <4 S+ 0 0 3 -3,-2.2 -99,-1.7 -4,-0.3 -95,-0.2 0.556 75.0 132.3-114.5 -12.5 91.4 107.5 58.7 181 181 A V B < -A 80 0A 0 -4,-0.8 -96,-2.3 -3,-0.3 2,-1.1 -0.185 47.9-145.3 -52.0 125.8 87.7 107.0 58.4 182 182 A N >> - 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