==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 03-MAY-11 3RTG . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR I.A.SHUMILIN,M.CYMBOROWSKI,S.A.LESLEY,W.MINOR . 496 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22121.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 37 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 3 2 1 2 2 1 0 3 1 2 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 2 4 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 PARALLEL BRIDGES PER LADDER . 1 1 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 . 0 0 0 0 0 0 1 0 1 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 M > 0 0 45 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -30.0 48.8 -0.4 18.9 2 2 A K H > + 0 0 149 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.955 360.0 47.2 -61.4 -44.2 52.2 1.3 18.7 3 3 A E H > S+ 0 0 139 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.904 110.6 52.7 -55.3 -43.1 53.3 -2.2 19.5 4 4 A I H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.899 110.7 44.0 -70.1 -42.3 50.9 -3.5 16.8 5 5 A D H X S+ 0 0 63 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.928 115.7 49.1 -62.5 -45.2 52.2 -1.2 14.0 6 6 A E H X S+ 0 0 100 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.880 113.1 46.1 -63.5 -46.5 55.9 -1.9 15.0 7 7 A L H X>S+ 0 0 56 -4,-2.7 4,-2.2 -5,-0.2 5,-1.7 0.889 109.6 53.9 -64.3 -41.5 55.4 -5.6 15.1 8 8 A T H <5S+ 0 0 0 -4,-2.1 6,-2.3 -5,-0.2 5,-0.3 0.891 120.2 34.2 -60.3 -39.1 53.6 -5.7 11.8 9 9 A I H X5S+ 0 0 67 -4,-2.0 4,-0.8 4,-0.2 -2,-0.2 0.970 126.6 36.3 -77.2 -58.2 56.5 -3.9 10.2 10 10 A K H <5S+ 0 0 176 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.849 132.0 23.0 -73.5 -38.2 59.5 -5.3 12.1 11 11 A E T <5S+ 0 0 130 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.2 0.816 130.1 37.3 -97.3 -39.7 58.3 -8.9 12.6 12 12 A Y T 4> - 0 0 60 -2,-0.5 4,-1.5 1,-0.1 3,-1.1 -0.357 15.0-129.0 -61.1 134.4 56.4 -2.0 4.6 16 16 A S H 3> S+ 0 0 31 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.833 110.0 59.5 -52.5 -37.3 55.5 1.1 6.7 17 17 A R H 3> S+ 0 0 106 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.828 101.0 53.6 -61.6 -33.4 54.4 2.7 3.5 18 18 A I H <> S+ 0 0 93 -3,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.934 109.5 48.1 -67.7 -43.3 51.8 -0.0 2.8 19 19 A L H X S+ 0 0 10 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.916 113.1 47.9 -61.1 -44.2 50.2 0.5 6.3 20 20 A M H X S+ 0 0 11 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.896 111.1 49.9 -69.3 -40.3 50.1 4.3 5.8 21 21 A E H X S+ 0 0 50 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.942 111.7 48.7 -62.3 -45.7 48.6 4.0 2.3 22 22 A R H X S+ 0 0 63 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.862 110.1 53.0 -62.2 -37.4 45.9 1.6 3.6 23 23 A A H X S+ 0 0 2 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.962 111.6 45.2 -62.3 -51.5 45.2 4.1 6.5 24 24 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 3,-0.2 0.919 112.5 48.6 -61.8 -44.6 44.7 7.0 4.1 25 25 A I H X S+ 0 0 59 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.869 106.2 58.9 -65.9 -30.2 42.5 5.1 1.6 26 26 A S H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.897 103.6 52.1 -63.2 -35.6 40.4 3.8 4.4 27 27 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.2 -2,-0.2 0.927 109.7 49.4 -64.4 -43.9 39.7 7.5 5.4 28 28 A V H X S+ 0 0 24 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.932 112.6 45.9 -60.3 -50.1 38.6 8.2 1.8 29 29 A L H X S+ 0 0 75 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.902 112.2 52.7 -63.0 -36.5 36.2 5.2 1.7 30 30 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.924 108.9 48.5 -67.4 -42.2 34.8 6.1 5.1 31 31 A M H X S+ 0 0 0 -4,-2.4 4,-4.1 1,-0.2 5,-0.4 0.917 110.2 51.8 -63.9 -42.5 34.1 9.7 4.0 32 32 A E H X S+ 0 0 88 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.923 106.4 54.2 -59.1 -46.2 32.4 8.4 0.8 33 33 A E H < S+ 0 0 117 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.911 119.4 34.8 -51.1 -43.3 30.2 6.1 3.0 34 34 A E H < S+ 0 0 70 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.842 128.8 31.5 -86.8 -33.6 29.1 9.1 5.0 35 35 A L H < S- 0 0 44 -4,-4.1 2,-0.2 1,-0.3 -3,-0.2 0.704 94.1-138.0 -98.1 -17.1 29.0 11.9 2.4 36 36 A G S < S+ 0 0 37 -4,-2.4 -1,-0.3 -5,-0.4 -2,-0.1 -0.604 73.4 13.6 86.1-156.3 28.0 10.0 -0.8 37 37 A N - 0 0 107 -2,-0.2 3,-0.3 1,-0.2 4,-0.1 -0.261 66.7-157.8 -50.2 129.1 29.8 11.0 -3.9 38 38 A L > + 0 0 5 1,-0.2 3,-1.8 2,-0.1 30,-0.5 0.568 68.6 94.3 -87.5 -10.7 32.9 13.1 -3.0 39 39 A S T 3 S+ 0 0 50 1,-0.3 29,-0.6 28,-0.2 -1,-0.2 0.775 81.2 52.3 -68.9 -25.9 33.3 14.8 -6.3 40 40 A D T 3 S+ 0 0 119 -3,-0.3 -1,-0.3 27,-0.2 2,-0.2 0.601 94.8 90.0 -78.5 -14.2 31.3 18.0 -5.4 41 41 A Y < - 0 0 68 -3,-1.8 27,-1.1 -4,-0.1 28,-1.0 -0.551 65.5-140.4 -94.3 153.2 33.2 18.8 -2.2 42 42 A R E -a 69 0A 77 26,-0.2 68,-2.4 -2,-0.2 69,-2.2 -0.935 23.3-150.4-108.0 129.7 36.2 20.9 -1.5 43 43 A F E -ab 70 111A 0 26,-3.2 28,-1.8 -2,-0.5 2,-0.6 -0.888 12.9-164.3-112.6 127.0 38.6 19.4 1.1 44 44 A L E -ab 71 112A 0 67,-2.8 69,-3.3 -2,-0.5 2,-0.6 -0.963 15.6-163.1-106.9 116.7 41.0 21.2 3.4 45 45 A V E -ab 72 113A 0 26,-3.1 28,-2.8 -2,-0.6 2,-0.7 -0.910 4.9-159.4-110.9 120.7 43.5 18.8 4.8 46 46 A L E -ab 73 114A 2 67,-2.8 69,-2.5 -2,-0.6 2,-0.4 -0.894 16.3-172.4-105.1 114.2 45.4 19.8 7.9 47 47 A C E -ab 74 115A 0 26,-2.3 28,-3.0 -2,-0.7 29,-0.6 -0.908 12.0-159.7-117.1 130.6 48.6 17.8 8.3 48 48 A G - 0 0 2 67,-2.3 69,-0.1 -2,-0.4 8,-0.1 -0.296 38.4-101.5 -87.2-178.4 51.2 17.6 11.1 49 49 A G S S+ 0 0 16 4,-0.1 31,-2.2 -2,-0.1 34,-0.2 0.449 94.2 80.8 -85.5 -4.0 54.7 16.4 10.7 50 50 A G S > S- 0 0 29 66,-0.4 4,-2.0 29,-0.2 5,-0.1 -0.075 103.0 -82.2 -91.0-169.5 54.1 13.0 12.2 51 51 A N H > S+ 0 0 81 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.811 127.2 61.1 -68.4 -26.0 52.6 9.8 10.8 52 52 A N H > S+ 0 0 12 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.946 107.2 44.4 -61.8 -49.0 49.1 11.1 11.4 53 53 A G H > S+ 0 0 0 63,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.886 109.4 57.5 -63.4 -34.8 49.9 14.0 9.0 54 54 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.931 104.3 50.9 -57.3 -47.3 51.5 11.4 6.7 55 55 A D H X S+ 0 0 14 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.896 107.9 55.1 -54.4 -40.8 48.2 9.6 6.6 56 56 A G H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.883 103.1 53.3 -61.2 -41.4 46.7 13.0 5.7 57 57 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.880 108.1 51.8 -62.4 -35.7 49.0 13.4 2.7 58 58 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.917 110.6 47.9 -63.5 -46.3 47.8 10.0 1.5 59 59 A V H X S+ 0 0 0 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.971 113.7 47.4 -55.6 -53.9 44.1 11.2 1.9 60 60 A A H >X S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.2 4,-0.9 0.918 111.1 50.2 -56.4 -46.9 44.9 14.4 0.1 61 61 A R H >< S+ 0 0 24 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.905 107.5 53.5 -61.2 -42.4 46.7 12.7 -2.7 62 62 A N H 3< S+ 0 0 58 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.579 106.2 54.0 -70.7 -13.3 43.9 10.1 -3.3 63 63 A L H XX S+ 0 0 1 -3,-1.1 3,-2.1 -4,-0.9 4,-1.5 0.650 81.3 116.7 -89.8 -19.1 41.4 13.0 -3.6 64 64 A L T << S+ 0 0 46 -4,-0.9 4,-0.1 -3,-0.9 31,-0.0 -0.227 87.1 3.7 -55.6 131.6 43.4 14.7 -6.4 65 65 A G T 34 S+ 0 0 86 2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.245 122.3 73.1 80.7 -12.9 41.5 14.9 -9.7 66 66 A V T <4 S+ 0 0 90 -3,-2.1 2,-0.2 -28,-0.0 -2,-0.2 0.686 92.6 47.2-106.3 -23.9 38.4 13.3 -8.2 67 67 A V S < S- 0 0 18 -4,-1.5 -2,-0.2 -27,-0.1 -28,-0.2 -0.675 90.6-100.1-117.5 173.4 36.9 16.1 -6.1 68 68 A K S S- 0 0 146 -27,-1.1 2,-0.3 -29,-0.6 -26,-0.2 0.832 95.3 -17.7 -63.9 -40.3 36.2 19.8 -6.6 69 69 A D E -a 42 0A 76 -28,-1.0 -26,-3.2 2,-0.0 2,-0.4 -0.940 54.7-166.3-166.5 144.6 39.3 21.1 -4.7 70 70 A V E +a 43 0A 10 -2,-0.3 26,-0.4 -28,-0.2 2,-0.3 -0.994 9.6 174.9-133.4 139.7 42.0 19.8 -2.3 71 71 A L E -a 44 0A 12 -28,-1.8 -26,-3.1 -2,-0.4 2,-0.5 -0.992 15.8-151.6-141.0 137.6 44.4 21.9 -0.3 72 72 A V E -ac 45 97A 0 24,-2.3 26,-2.3 -2,-0.3 2,-0.6 -0.936 0.8-160.5-107.0 132.3 46.9 20.8 2.3 73 73 A V E -ac 46 98A 1 -28,-2.8 -26,-2.3 -2,-0.5 2,-0.6 -0.979 14.2-152.3-105.8 113.0 48.0 23.1 5.1 74 74 A F E +a 47 0A 3 24,-2.9 -26,-0.2 -2,-0.6 -28,-0.1 -0.822 17.7 177.7 -88.1 121.2 51.2 21.6 6.5 75 75 A L + 0 0 22 -28,-3.0 -27,-0.2 -2,-0.6 -1,-0.1 0.471 44.4 88.2-107.5 -4.1 51.5 22.7 10.1 76 76 A G - 0 0 14 -29,-0.6 3,-0.1 1,-0.1 -2,-0.0 -0.094 64.2-137.6 -88.0-174.8 54.7 21.0 11.3 77 77 A K S S+ 0 0 187 1,-0.4 2,-0.2 -2,-0.0 -1,-0.1 0.738 86.1 12.6-104.6 -49.1 58.4 21.7 11.4 78 78 A K S S- 0 0 166 0, 0.0 2,-0.4 0, 0.0 -1,-0.4 -0.757 71.3-131.1-128.3 171.2 59.9 18.4 10.3 79 79 A K - 0 0 43 -2,-0.2 -29,-0.2 -3,-0.1 -30,-0.1 -0.987 15.6-123.6-129.7 137.2 58.4 15.2 8.8 80 80 A T > - 0 0 36 -31,-2.2 4,-3.1 -2,-0.4 5,-0.2 -0.267 44.4 -99.4 -61.3 164.1 58.8 11.6 9.8 81 81 A P H > S+ 0 0 110 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.890 124.6 45.8 -56.2 -42.6 60.1 9.5 6.9 82 82 A D H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.890 113.1 49.5 -71.8 -36.8 56.7 8.2 5.9 83 83 A C H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.935 112.2 49.1 -64.8 -41.8 55.2 11.7 6.2 84 84 A E H X S+ 0 0 91 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.912 110.5 50.6 -62.8 -43.9 58.0 13.0 4.0 85 85 A Y H X S+ 0 0 99 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.928 114.0 43.7 -57.4 -49.6 57.5 10.2 1.4 86 86 A N H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.866 110.5 55.1 -74.1 -28.2 53.7 10.9 1.2 87 87 A Y H X S+ 0 0 50 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.925 108.7 49.7 -61.3 -46.1 54.3 14.7 1.1 88 88 A G H X S+ 0 0 28 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.912 111.2 47.8 -62.8 -43.8 56.5 14.1 -1.9 89 89 A L H X S+ 0 0 43 -4,-2.1 4,-2.5 2,-0.2 6,-0.2 0.927 108.5 54.7 -61.3 -44.8 53.9 11.9 -3.6 90 90 A Y H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 -2,-0.2 0.939 113.3 42.5 -53.1 -47.4 51.2 14.5 -3.0 91 91 A K H ><5S+ 0 0 94 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.916 111.5 53.8 -68.0 -40.8 53.3 17.2 -4.7 92 92 A K H 3<5S+ 0 0 187 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.830 105.3 55.3 -61.5 -37.0 54.4 14.9 -7.6 93 93 A F T 3<5S- 0 0 128 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.394 130.1 -96.0 -74.6 1.0 50.7 14.2 -8.3 94 94 A G T < 5S+ 0 0 62 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.524 70.4 156.9 98.5 8.6 50.1 18.0 -8.6 95 95 A G < - 0 0 8 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.2 -0.384 37.8-129.4 -76.9 145.5 48.9 18.7 -5.1 96 96 A K - 0 0 128 -26,-0.4 -24,-2.3 -2,-0.1 2,-0.4 -0.807 24.1-176.4 -92.9 127.8 49.0 22.2 -3.5 97 97 A V E -c 72 0A 26 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.976 2.9-173.8-118.7 131.4 50.5 22.6 0.1 98 98 A V E -c 73 0A 45 -26,-2.3 -24,-2.9 -2,-0.4 3,-0.0 -0.887 16.4-154.8-115.0 157.5 50.7 25.9 2.0 99 99 A E S S+ 0 0 126 -2,-0.3 2,-0.4 -26,-0.2 -26,-0.1 0.177 72.9 75.2-110.9 11.9 52.5 26.3 5.3 100 100 A Q - 0 0 166 2,-0.0 2,-0.6 0, 0.0 -25,-0.1 -0.995 69.5-143.7-127.9 127.8 50.4 29.2 6.7 101 101 A F - 0 0 34 -2,-0.4 3,-0.1 -28,-0.1 -2,-0.0 -0.822 17.3-170.6 -89.9 120.4 47.0 28.8 8.1 102 102 A E > - 0 0 126 -2,-0.6 3,-3.3 1,-0.1 4,-0.4 -0.963 23.1-135.7-113.6 120.8 44.8 31.9 7.2 103 103 A P G > S+ 0 0 75 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.822 103.5 57.6 -44.3 -44.6 41.4 32.0 9.0 104 104 A S G > S+ 0 0 54 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.641 86.3 80.7 -62.9 -13.7 39.5 33.0 5.8 105 105 A I G X S+ 0 0 31 -3,-3.3 3,-1.7 1,-0.2 -1,-0.2 0.884 80.7 65.8 -63.5 -34.7 40.7 29.8 4.2 106 106 A L G X S+ 0 0 12 -3,-1.3 3,-1.7 -4,-0.4 -1,-0.2 0.839 89.3 68.7 -51.2 -37.4 38.0 27.9 5.9 107 107 A N G < S+ 0 0 112 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.737 96.2 52.0 -51.3 -32.7 35.4 29.8 3.9 108 108 A E G < S+ 0 0 105 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.3 0.194 102.0 69.1 -98.3 15.3 36.4 28.1 0.6 109 109 A F < - 0 0 3 -3,-1.7 -66,-0.2 1,-0.1 3,-0.1 -0.935 52.4-162.7-136.2 153.8 36.1 24.5 1.8 110 110 A D S S+ 0 0 46 -68,-2.4 32,-1.7 -2,-0.3 2,-0.4 0.755 79.9 37.6-101.7 -36.8 33.3 22.1 2.7 111 111 A V E -bd 43 142A 0 -69,-2.2 -67,-2.8 30,-0.2 2,-0.5 -0.974 63.6-155.9-124.3 130.6 35.2 19.3 4.6 112 112 A V E -bd 44 143A 0 30,-3.0 32,-2.6 -2,-0.4 2,-0.7 -0.960 8.5-155.0-100.7 125.1 38.1 19.7 7.0 113 113 A V E -bd 45 144A 0 -69,-3.3 -67,-2.8 -2,-0.5 2,-0.9 -0.910 10.3-149.5-100.5 115.5 40.3 16.6 7.3 114 114 A D E +bd 46 145A 1 30,-3.3 32,-2.8 -2,-0.7 34,-0.2 -0.752 39.4 145.8 -93.5 99.5 42.1 16.7 10.7 115 115 A A E +b 47 0A 0 -69,-2.5 -67,-2.3 -2,-0.9 -59,-0.2 -0.197 36.7 111.3-123.3 40.7 45.4 14.9 10.4 116 116 A I S S+ 0 0 3 1,-0.3 -66,-0.4 -69,-0.3 2,-0.4 0.991 84.0 1.5 -79.9 -65.0 47.3 17.2 12.8 117 117 A F + 0 0 41 31,-0.2 31,-0.3 -65,-0.1 -1,-0.3 -0.984 61.8 171.1-123.9 143.2 48.0 14.9 15.8 118 118 A G S > S- 0 0 6 -2,-0.4 3,-1.2 -3,-0.1 33,-0.2 0.081 70.4 -34.8-113.9-128.1 47.2 11.2 16.3 119 119 A T T 3 S+ 0 0 55 1,-0.2 35,-0.1 34,-0.1 36,-0.1 0.529 125.1 75.7 -77.5 -3.4 48.3 8.9 19.1 120 120 A G T 3 + 0 0 57 2,-0.0 -1,-0.2 33,-0.0 2,-0.2 0.411 63.5 123.7 -83.9 -0.4 51.7 10.8 19.2 121 121 A L < + 0 0 17 -3,-1.2 2,-0.4 31,-0.2 33,-0.2 -0.486 35.2 177.2 -66.2 128.5 50.3 13.8 21.0 122 122 A R - 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0 0 42 -2,-0.2 3,-1.8 48,-0.1 4,-0.1 -0.908 42.9 -74.0-156.2-174.1 21.8 7.5 27.5 422 422 A T G > S+ 0 0 80 1,-0.3 3,-1.4 -2,-0.3 -18,-0.0 0.549 111.6 81.8 -75.6 -5.3 21.1 10.3 30.0 423 423 A G G 3 S+ 0 0 1 1,-0.3 -1,-0.3 50,-0.0 6,-0.1 0.703 86.8 60.0 -66.2 -17.9 17.7 8.8 31.0 424 424 A L G < S+ 0 0 33 -3,-1.8 2,-2.0 1,-0.2 -1,-0.3 0.549 78.8 90.0 -84.0 -11.5 19.8 6.6 33.3 425 425 A S S < S+ 0 0 104 -3,-1.4 2,-0.3 -4,-0.1 -1,-0.2 -0.460 75.1 92.0 -79.3 62.3 21.2 9.7 35.1 426 426 A K S > S- 0 0 75 -2,-2.0 3,-1.9 48,-0.0 4,-0.2 -0.975 89.0 -83.7-159.4 141.3 18.2 9.4 37.5 427 427 A G T 3 S+ 0 0 74 -2,-0.3 47,-0.4 1,-0.2 -2,-0.0 -0.157 110.4 33.8 -51.0 135.2 17.6 7.8 40.9 428 428 A G T 3> S+ 0 0 13 45,-0.1 4,-1.6 46,-0.1 -1,-0.2 0.029 86.5 100.7 110.1 -24.0 16.7 4.1 40.7 429 429 A S H <> S+ 0 0 9 -3,-1.9 4,-1.6 1,-0.2 -2,-0.1 0.880 83.7 47.0 -59.4 -48.6 18.8 3.2 37.6 430 430 A G H > S+ 0 0 20 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.825 105.8 59.5 -62.6 -38.0 21.6 1.7 39.6 431 431 A D H > S+ 0 0 30 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.909 105.3 49.5 -61.4 -42.5 19.2 -0.4 41.7 432 432 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.936 108.7 52.7 -59.8 -47.0 17.9 -2.1 38.6 433 433 A L H X S+ 0 0 4 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.900 104.4 56.1 -58.7 -41.3 21.4 -2.9 37.4 434 434 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.916 109.1 47.0 -56.9 -46.4 22.3 -4.5 40.7 435 435 A G H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.859 109.4 53.6 -59.3 -41.9 19.3 -6.9 40.3 436 436 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.932 110.0 47.1 -60.6 -44.8 20.3 -7.7 36.7 437 437 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.924 113.3 47.3 -63.5 -49.5 23.8 -8.7 37.7 438 438 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.918 111.5 53.7 -56.5 -44.3 22.6 -10.9 40.6 439 439 A G H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.912 108.4 46.8 -57.1 -47.6 20.1 -12.5 38.4 440 440 A F H <>S+ 0 0 1 -4,-2.2 5,-2.5 2,-0.2 4,-0.5 0.876 111.5 52.1 -68.6 -35.3 22.6 -13.4 35.7 441 441 A I H ><5S+ 0 0 18 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.925 107.4 52.3 -62.7 -44.0 24.9 -14.8 38.3 442 442 A A H 3<5S+ 0 0 11 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.818 104.7 57.3 -60.1 -33.1 22.1 -16.9 39.7 443 443 A Q T 3<5S- 0 0 24 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.549 131.1 -90.4 -77.2 -7.9 21.5 -18.2 36.1 444 444 A G T < 5S+ 0 0 63 -3,-1.4 -3,-0.2 -4,-0.5 2,-0.2 0.422 80.4 135.6 117.6 -0.1 25.1 -19.5 36.0 445 445 A L < - 0 0 15 -5,-2.5 -1,-0.4 1,-0.1 -2,-0.0 -0.550 59.1-112.1 -76.5 146.8 27.1 -16.7 34.5 446 446 A S > - 0 0 48 -2,-0.2 4,-3.2 1,-0.1 5,-0.3 -0.288 36.1-101.7 -62.3 157.1 30.5 -15.9 36.2 447 447 A P H > S+ 0 0 28 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.887 125.1 48.1 -50.9 -39.2 30.6 -12.5 38.0 448 448 A L H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.921 114.7 43.9 -69.5 -43.6 32.5 -11.0 35.1 449 449 A E H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.910 113.2 51.2 -65.9 -45.3 30.1 -12.4 32.4 450 450 A A H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.897 112.3 48.0 -60.1 -39.5 27.0 -11.4 34.4 451 451 A S H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 5,-0.3 0.900 110.8 50.3 -67.7 -44.5 28.4 -7.9 34.8 452 452 A T H X S+ 0 0 3 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.933 114.3 43.0 -60.1 -49.5 29.3 -7.6 31.1 453 453 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.893 114.4 51.4 -65.6 -39.7 25.8 -8.7 29.9 454 454 A S H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.913 107.8 48.9 -69.7 -45.2 24.0 -6.6 32.5 455 455 A V H X S+ 0 0 3 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.903 115.1 46.7 -63.9 -39.7 25.7 -3.3 31.8 456 456 A Y H X S+ 0 0 20 -4,-1.6 4,-2.8 -5,-0.3 -2,-0.2 0.968 115.5 43.2 -63.3 -53.3 25.1 -3.7 28.1 457 457 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.845 111.0 55.6 -62.5 -37.0 21.4 -4.7 28.3 458 458 A H H X S+ 0 0 20 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.926 113.9 41.7 -63.6 -42.9 20.6 -2.0 31.0 459 459 A G H X S+ 0 0 1 -4,-1.9 4,-1.6 -5,-0.2 -39,-0.5 0.912 113.9 50.5 -71.3 -42.9 22.0 0.6 28.6 460 460 A F H X S+ 0 0 20 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.901 106.6 55.4 -62.5 -40.5 20.4 -0.8 25.5 461 461 A A H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 4,-0.5 0.920 105.3 53.8 -56.6 -43.8 17.0 -1.0 27.3 462 462 A A H >< S+ 0 0 1 -4,-1.4 3,-1.3 1,-0.3 -1,-0.2 0.900 105.6 53.4 -57.2 -38.5 17.3 2.8 28.1 463 463 A E H 3< S+ 0 0 87 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.699 99.0 63.2 -74.2 -20.0 17.8 3.4 24.4 464 464 A L T << S+ 0 0 30 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.600 72.7 121.0 -79.2 -8.7 14.6 1.5 23.5 465 465 A F < - 0 0 35 -3,-1.3 4,-0.1 -4,-0.5 7,-0.1 -0.333 59.2-145.0 -59.0 135.3 12.5 4.1 25.4 466 466 A E S S+ 0 0 106 2,-0.1 -1,-0.1 3,-0.0 2,-0.1 0.667 72.9 47.1 -85.2 -19.6 10.0 5.5 22.9 467 467 A Q S S- 0 0 149 1,-0.2 5,-0.1 2,-0.0 2,-0.1 -0.327 112.2 -40.6-111.6-164.6 9.8 9.1 24.1 468 468 A D > - 0 0 91 1,-0.2 3,-2.2 -2,-0.1 -1,-0.2 -0.344 54.3-130.2 -67.0 136.0 12.4 11.7 25.2 469 469 A E G > S+ 0 0 69 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.750 101.5 67.7 -59.7 -27.0 15.1 10.0 27.2 470 470 A R G 3 S+ 0 0 186 1,-0.3 -1,-0.3 -46,-0.0 -2,-0.1 0.750 96.1 56.6 -69.3 -15.4 15.0 12.6 30.0 471 471 A G G < S+ 0 0 46 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.416 80.3 120.2 -92.6 -1.1 11.6 11.3 30.9 472 472 A L < - 0 0 1 -3,-1.8 2,-0.3 -4,-0.2 -10,-0.0 -0.424 41.7-172.8 -63.0 136.5 12.8 7.7 31.4 473 473 A T >> - 0 0 65 -2,-0.1 4,-2.1 -45,-0.1 3,-0.7 -0.880 37.6-107.3-124.2 164.4 12.3 6.3 34.8 474 474 A A H 3> S+ 0 0 9 -47,-0.4 4,-2.1 -2,-0.3 5,-0.1 0.775 118.2 58.4 -59.3 -33.9 13.5 3.0 36.4 475 475 A S H 3> S+ 0 0 54 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.847 109.3 44.3 -64.6 -39.9 10.0 1.5 36.3 476 476 A E H <> S+ 0 0 66 -3,-0.7 4,-1.6 2,-0.2 -2,-0.2 0.861 108.4 58.6 -71.4 -34.9 9.9 2.1 32.5 477 477 A L H X S+ 0 0 1 -4,-2.1 4,-1.1 1,-0.2 3,-0.5 0.948 102.8 53.7 -59.7 -44.1 13.5 0.7 32.2 478 478 A L H >< S+ 0 0 3 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.897 106.0 52.4 -52.6 -44.7 12.3 -2.5 33.8 479 479 A R H 3< S+ 0 0 102 -4,-1.1 4,-0.3 1,-0.2 -1,-0.2 0.787 109.4 51.2 -62.2 -34.4 9.5 -2.9 31.1 480 480 A L H >X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.5 3,-0.5 0.625 85.8 84.7 -83.5 -18.0 12.1 -2.5 28.4 481 481 A I H S+ 0 0 55 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.794 110.1 52.0 -66.1 -27.7 12.8 -8.1 27.8 483 483 A E H <> S+ 0 0 49 -3,-0.5 4,-3.1 -4,-0.3 5,-0.2 0.907 108.0 51.4 -65.2 -46.2 12.6 -6.1 24.6 484 484 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.919 111.0 48.7 -57.2 -44.0 16.4 -5.5 24.8 485 485 A I H X S+ 0 0 32 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.945 111.8 48.8 -61.2 -46.0 16.9 -9.2 25.3 486 486 A R H >< S+ 0 0 151 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.927 112.1 47.9 -57.9 -50.0 14.6 -10.0 22.3 487 487 A R H 3< S+ 0 0 109 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.873 106.1 58.8 -63.4 -31.9 16.4 -7.5 20.1 488 488 A L H 3< 0 0 1 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.795 360.0 360.0 -65.5 -27.2 19.8 -8.9 21.2 489 489 A K << 0 0 167 -4,-1.2 -272,-0.0 -3,-0.7 -4,-0.0 -0.604 360.0 360.0 -84.1 360.0 18.8 -12.4 19.9 490 !* 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 0.0 491 1 B A 0 0 159 0, 0.0 4,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 7.8 30.0 -6.1 4.9 492 2 B A + 0 0 74 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.193 360.0 104.7-113.7 16.1 32.8 -5.9 7.5 493 3 B W S S+ 0 0 174 1,-0.1 -1,-0.1 -299,-0.0 -298,-0.1 0.940 98.9 24.1 -63.0 -42.4 36.1 -6.6 5.8 494 4 B L S S+ 0 0 35 1,-0.2 -299,-3.0 -3,-0.1 2,-0.4 0.900 123.7 37.4 -87.4 -43.3 37.2 -3.0 5.9 495 5 B F E -G 194 0A 23 -4,-0.3 2,-0.4 -301,-0.2 -301,-0.2 -0.929 49.0-162.4-124.2 132.6 35.2 -1.4 8.7 496 6 B E E G 193 0A 94 -303,-2.7 -303,-2.7 -2,-0.4 -4,-0.0 -0.933 360.0 360.0 -94.2 132.7 33.9 -2.1 12.2 497 7 B A 0 0 116 -2,-0.4 -306,-0.2 -305,-0.2 -1,-0.1 0.748 360.0 360.0 -71.7 360.0 31.1 0.2 13.4