==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 16-MAR-10 3M7G . COMPND 2 MOLECULE: TOPOISOMERASE V; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOPYRUS KANDLERI; . AUTHOR R.RAJAN,B.TANEJA,A.MONDRAGON . 267 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 73.0 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 . 9 3.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 47.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 0 2 2 0 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 3 A L 0 0 168 0, 0.0 80,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 65.3 35.6 10.1 23.3 2 4 A V - 0 0 97 78,-0.1 80,-1.7 2,-0.0 79,-1.0 -0.367 360.0-148.7 -70.9 154.8 32.9 12.9 23.0 3 5 A Y E +A 80 0A 17 77,-0.2 2,-0.3 78,-0.2 77,-0.2 -0.955 38.5 147.6-122.2 110.3 31.9 14.7 19.8 4 6 A D E +A 79 0A 61 75,-1.7 75,-3.3 -2,-0.4 2,-0.3 -0.970 22.1 171.0-140.2 157.0 30.8 18.2 20.6 5 7 A A E - 0 0 7 -2,-0.3 2,-0.5 73,-0.2 72,-0.2 -0.948 22.0-138.0-156.6 151.0 30.7 21.8 19.3 6 8 A E E -A 76 0A 77 70,-3.6 70,-3.0 -2,-0.3 2,-0.7 -0.912 17.8-134.1-110.0 134.4 29.1 25.0 20.4 7 9 A F E +A 75 0A 44 -2,-0.5 68,-0.3 108,-0.3 67,-0.1 -0.793 31.2 165.4 -85.8 118.6 27.5 27.3 17.9 8 10 A V + 0 0 71 66,-2.0 67,-0.2 -2,-0.7 -1,-0.1 0.347 42.3 98.2-115.3 2.6 28.6 30.9 18.5 9 11 A G S S- 0 0 21 65,-1.2 65,-0.1 1,-0.2 -2,-0.0 -0.140 82.5 -75.8 -79.1-178.3 27.4 32.7 15.3 10 12 A S > - 0 0 53 1,-0.1 4,-1.9 -2,-0.0 -1,-0.2 -0.191 42.1-102.3 -76.1 170.0 24.2 34.7 14.9 11 13 A E H > S+ 0 0 185 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.891 125.6 50.2 -54.3 -42.3 20.7 33.3 14.5 12 14 A R H > S+ 0 0 153 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.942 108.8 49.4 -63.5 -51.0 21.0 34.0 10.7 13 15 A E H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.832 106.6 59.6 -57.2 -33.1 24.4 32.3 10.4 14 16 A F H X S+ 0 0 46 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.928 108.5 41.5 -59.4 -50.3 22.8 29.2 12.3 15 17 A E H X S+ 0 0 104 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.887 114.7 53.5 -66.5 -38.6 20.1 28.7 9.7 16 18 A E H X S+ 0 0 47 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.841 109.0 47.9 -65.2 -36.1 22.7 29.3 7.0 17 19 A E H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.876 109.6 54.2 -72.4 -38.1 25.1 26.7 8.4 18 20 A R H X S+ 0 0 61 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.941 108.4 47.6 -55.2 -56.2 22.2 24.2 8.7 19 21 A E H X S+ 0 0 98 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.909 113.6 48.2 -57.8 -44.3 21.3 24.5 5.0 20 22 A T H X S+ 0 0 14 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.917 114.9 45.6 -59.8 -45.0 24.9 24.2 4.0 21 23 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.942 110.6 52.2 -64.0 -47.0 25.4 21.1 6.1 22 24 A L H X S+ 0 0 81 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.893 110.0 48.5 -62.6 -38.7 22.2 19.4 5.1 23 25 A K H X S+ 0 0 62 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.884 108.8 54.0 -67.9 -38.7 23.0 19.8 1.4 24 26 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.869 107.5 51.5 -62.3 -36.4 26.5 18.4 2.1 25 27 A V H X S+ 0 0 13 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.919 109.5 49.5 -62.3 -47.1 24.7 15.4 3.7 26 28 A K H X S+ 0 0 73 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.939 111.2 49.9 -55.9 -48.4 22.6 15.1 0.5 27 29 A A H X S+ 0 0 0 -4,-2.9 4,-1.2 1,-0.2 34,-0.2 0.941 114.1 45.3 -55.1 -46.1 25.9 15.2 -1.5 28 30 A Y H X S+ 0 0 37 -4,-2.5 4,-2.0 1,-0.3 -2,-0.2 0.859 103.0 61.2 -72.6 -37.9 27.4 12.5 0.7 29 31 A D H X S+ 0 0 73 -4,-3.1 4,-3.2 1,-0.2 -1,-0.3 0.906 106.0 51.1 -50.8 -42.6 24.4 10.3 0.7 30 32 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.855 102.5 57.0 -64.7 -38.4 25.0 10.2 -3.1 31 33 A V H X S+ 0 0 13 -4,-1.2 4,-0.8 26,-0.2 -1,-0.2 0.910 115.5 40.5 -56.2 -38.3 28.7 9.3 -2.6 32 34 A L H >X S+ 0 0 86 -4,-2.0 4,-2.0 2,-0.2 3,-0.5 0.944 110.6 53.0 -80.1 -50.5 27.3 6.3 -0.6 33 35 A A H 3X S+ 0 0 40 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.918 113.8 45.6 -49.1 -46.4 24.4 5.3 -2.7 34 36 A T H 3X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.705 105.8 58.1 -77.3 -19.5 26.7 5.1 -5.8 35 37 A R H < S+ 0 0 45 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.965 115.2 37.3 -55.2 -53.4 29.3 -0.0 -8.0 39 41 A E H 3< S+ 0 0 134 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.802 118.3 51.4 -69.0 -32.4 29.6 -3.1 -5.6 40 42 A R T 3< S+ 0 0 155 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.2 0.025 105.8 60.3 -98.5 25.8 26.1 -4.3 -6.4 41 43 A S < - 0 0 35 -3,-1.0 2,-0.6 -5,-0.1 -1,-0.1 -0.845 57.6-160.1-162.3 131.4 26.4 -4.3 -10.3 42 44 A S + 0 0 119 -2,-0.3 2,-0.3 4,-0.0 -3,-0.1 -0.884 39.9 113.1-116.7 104.6 28.6 -5.9 -12.9 43 45 A S > - 0 0 62 -2,-0.6 4,-1.1 1,-0.1 -2,-0.0 -0.920 59.2-125.4-167.7 144.7 28.9 -4.5 -16.4 44 46 A A H > S+ 0 0 88 -2,-0.3 4,-0.5 1,-0.2 -1,-0.1 0.882 109.5 30.6 -66.6 -43.0 31.9 -3.0 -18.2 45 47 A K H > S+ 0 0 182 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.651 111.0 65.9 -96.4 -16.7 30.3 0.4 -19.3 46 48 A N H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.806 96.5 59.9 -65.2 -30.8 28.0 0.5 -16.3 47 49 A D H X S+ 0 0 80 -4,-1.1 4,-2.8 2,-0.2 -1,-0.2 0.853 104.2 46.5 -68.1 -39.1 31.2 0.9 -14.1 48 50 A E H X S+ 0 0 113 -4,-0.5 4,-2.4 2,-0.2 5,-0.2 0.886 111.1 51.9 -74.0 -38.8 32.4 4.1 -15.8 49 51 A E H X S+ 0 0 51 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.917 115.5 42.7 -55.3 -47.0 28.9 5.7 -15.6 50 52 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.925 111.6 53.1 -71.5 -42.3 28.8 4.8 -11.8 51 53 A L H X S+ 0 0 43 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.950 111.6 46.8 -57.4 -50.0 32.4 5.9 -11.2 52 54 A E H X S+ 0 0 83 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.903 113.7 46.1 -58.9 -49.6 31.7 9.3 -12.8 53 55 A L H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 3,-0.5 0.963 114.2 50.3 -60.4 -47.9 28.5 9.9 -10.9 54 56 A H H X S+ 0 0 3 -4,-3.0 4,-2.1 1,-0.2 3,-0.3 0.922 109.6 49.4 -50.4 -49.7 30.2 8.8 -7.7 55 57 A Q H X S+ 0 0 40 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.777 107.6 55.8 -68.4 -23.8 33.2 11.2 -8.3 56 58 A N H X S+ 0 0 17 -4,-1.5 4,-2.2 -3,-0.5 -1,-0.2 0.821 106.1 49.7 -74.3 -34.8 30.7 14.0 -9.0 57 59 A F H X S+ 0 0 0 -4,-1.8 4,-2.8 -3,-0.3 5,-0.3 0.878 106.7 57.0 -69.4 -36.3 29.1 13.4 -5.6 58 60 A I H X S+ 0 0 3 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.915 109.9 45.0 -58.4 -42.0 32.7 13.5 -4.1 59 61 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.916 113.8 47.1 -68.9 -48.6 33.2 17.0 -5.6 60 62 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.921 113.2 49.9 -60.6 -44.9 29.8 18.4 -4.5 61 63 A T H X S+ 0 0 0 -4,-2.8 4,-2.3 -34,-0.2 -2,-0.2 0.925 113.5 45.6 -55.0 -49.6 30.3 16.9 -1.0 62 64 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.883 111.6 54.1 -61.5 -33.9 33.8 18.6 -0.8 63 65 A S H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.979 110.7 43.8 -68.0 -53.6 32.3 21.8 -2.2 64 66 A Y H >< S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.2 4,-0.4 0.878 111.5 53.9 -55.9 -40.0 29.7 22.0 0.5 65 67 A A H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.920 103.1 58.6 -62.4 -37.5 32.2 21.1 3.2 66 68 A C H 3< S+ 0 0 2 -4,-2.4 84,-0.3 1,-0.3 -1,-0.2 0.770 102.8 54.6 -54.9 -31.1 34.4 24.0 1.9 67 69 A S T << S+ 0 0 18 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.435 79.7 115.6 -89.2 -7.4 31.5 26.4 2.7 68 70 A I S < S- 0 0 1 -3,-1.5 32,-0.1 -4,-0.4 4,-0.1 -0.422 89.6 -2.0 -63.4 138.8 31.1 25.3 6.3 69 71 A D S > S+ 0 0 0 -56,-0.1 3,-1.0 1,-0.1 -1,-0.2 0.902 74.6 178.9 45.8 62.6 31.9 28.2 8.7 70 72 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.871 81.8 47.2 -65.5 -35.6 32.9 30.7 6.0 71 73 A T T 3 S- 0 0 62 1,-0.0 -2,-0.1 26,-0.0 -3,-0.0 0.492 105.7-134.0 -81.1 -5.5 33.5 33.5 8.5 72 74 A E S < S+ 0 0 83 -3,-1.0 24,-0.1 1,-0.1 -3,-0.1 0.762 86.1 78.2 65.0 30.7 35.6 30.9 10.6 73 75 A D + 0 0 93 24,-0.1 -1,-0.1 3,-0.0 3,-0.0 0.054 53.5 97.0-160.9 24.6 34.0 31.9 13.9 74 76 A R S S+ 0 0 4 -66,-0.1 -66,-2.0 -65,-0.1 -65,-1.2 0.518 83.0 53.6 -99.9 -5.9 30.6 30.3 14.1 75 77 A Y E -A 7 0A 7 -68,-0.3 2,-0.3 -67,-0.2 -68,-0.2 -0.973 58.9-178.6-130.1 140.2 31.8 27.3 16.2 76 78 A Q E +A 6 0A 80 -70,-3.0 -70,-3.6 -2,-0.4 3,-0.2 -0.954 63.8 22.3-132.5 162.8 33.7 26.9 19.5 77 79 A N E S- 0 0 54 -2,-0.3 2,-0.8 1,-0.2 -1,-0.2 0.913 70.6-174.9 52.5 52.3 34.9 24.1 21.5 78 80 A V E - 0 0 0 -73,-0.2 7,-3.4 -3,-0.2 2,-0.5 -0.714 4.3-172.4 -79.8 107.7 34.9 21.7 18.6 79 81 A I E -AB 4 84A 35 -75,-3.3 -75,-1.7 -2,-0.8 2,-0.5 -0.924 14.3-174.8-113.3 123.5 35.8 18.3 20.1 80 82 A V E > S-AB 3 83A 5 3,-2.6 3,-1.1 -2,-0.5 -77,-0.2 -0.963 81.0 -19.4-117.8 112.3 36.5 15.2 18.1 81 83 A R T 3 S- 0 0 80 -79,-1.0 -1,-0.2 -2,-0.5 -78,-0.2 0.963 130.2 -49.8 52.8 55.3 37.1 12.1 20.2 82 84 A G T 3 S+ 0 0 48 -80,-1.7 2,-0.5 1,-0.2 -1,-0.3 0.525 113.1 121.1 64.1 9.2 37.8 14.2 23.2 83 85 A V E < -B 80 0A 63 -3,-1.1 -3,-2.6 -81,-0.3 2,-0.7 -0.918 58.9-137.6-108.3 127.7 40.4 16.4 21.3 84 86 A N E > -B 79 0A 33 -2,-0.5 4,-1.2 -5,-0.2 -5,-0.2 -0.720 16.9-174.4 -88.6 111.4 39.7 20.2 21.2 85 87 A F H > S+ 0 0 6 -7,-3.4 4,-3.2 -2,-0.7 5,-0.3 0.748 76.8 70.0 -82.0 -24.7 40.3 21.5 17.7 86 88 A D H > S+ 0 0 16 -8,-0.5 4,-2.4 2,-0.2 5,-0.2 0.968 104.4 43.7 -45.7 -58.7 39.7 25.2 18.7 87 89 A E H > S+ 0 0 106 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.917 115.8 47.2 -55.8 -49.9 42.9 25.1 20.7 88 90 A R H < S+ 0 0 80 -4,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.906 113.3 46.3 -61.9 -46.7 44.9 23.3 18.0 89 91 A V H >< S+ 0 0 2 -4,-3.2 3,-2.0 1,-0.2 6,-0.4 0.904 108.4 55.7 -66.4 -42.3 43.8 25.5 15.1 90 92 A Q H 3< S+ 0 0 145 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.824 105.6 54.2 -54.9 -34.9 44.4 28.7 17.0 91 93 A R T 3< S+ 0 0 207 -4,-1.3 2,-0.4 -3,-0.3 -1,-0.3 0.363 89.0 104.8 -82.9 2.0 48.0 27.5 17.6 92 94 A L S X S- 0 0 25 -3,-2.0 3,-2.0 1,-0.1 4,-0.0 -0.735 82.1-121.1 -92.1 135.3 48.5 27.0 13.9 93 95 A S T 3 S+ 0 0 68 -2,-0.4 -1,-0.1 1,-0.3 124,-0.1 0.775 115.8 32.7 -30.2 -42.4 50.6 29.4 11.8 94 96 A T T 3 S- 0 0 49 1,-0.2 -1,-0.3 -5,-0.1 -4,-0.1 0.416 90.1-161.2-107.2 0.4 47.5 30.0 9.6 95 97 A G < + 0 0 20 -3,-2.0 -1,-0.2 -6,-0.4 2,-0.2 -0.237 25.3 149.4 56.0-142.6 44.7 29.6 12.2 96 98 A G - 0 0 22 -24,-0.1 51,-0.1 -6,-0.0 -1,-0.1 -0.645 48.0 -19.8 114.8-170.9 41.3 29.0 10.4 97 99 A S > - 0 0 0 49,-0.4 4,-1.6 -2,-0.2 5,-0.1 -0.702 38.2-163.3 -83.9 120.5 38.0 27.2 11.0 98 100 A P H > S+ 0 0 13 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.758 91.6 60.4 -66.6 -26.8 38.1 24.5 13.7 99 101 A A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 13,-0.1 0.934 108.8 38.7 -69.7 -47.9 34.8 23.2 12.3 100 102 A R H > S+ 0 0 6 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.831 113.2 58.5 -70.7 -29.1 36.2 22.5 8.8 101 103 A Y H < S+ 0 0 0 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.890 109.4 44.8 -61.4 -36.6 39.4 21.2 10.5 102 104 A A H >< S+ 0 0 0 -4,-1.7 3,-2.2 1,-0.2 6,-0.3 0.890 103.9 64.0 -73.0 -39.0 37.1 18.7 12.3 103 105 A I H 3< S+ 0 0 0 -4,-1.9 25,-0.3 1,-0.3 6,-0.3 0.806 91.6 63.1 -60.9 -32.3 35.2 17.8 9.2 104 106 A V T 3< S+ 0 0 2 -4,-1.3 2,-0.3 -3,-0.1 -1,-0.3 0.366 92.3 85.8 -72.0 0.0 38.3 16.3 7.5 105 107 A Y S X S- 0 0 57 -3,-2.2 3,-2.1 1,-0.1 4,-0.4 -0.805 99.3 -90.0-100.7 148.7 38.4 13.7 10.3 106 108 A R T 3 S- 0 0 141 -2,-0.3 -2,-0.1 1,-0.3 21,-0.1 -0.391 115.0 -1.0 -53.8 124.8 36.5 10.5 10.3 107 109 A R T >> S+ 0 0 108 -4,-0.1 3,-2.3 19,-0.1 4,-0.5 0.489 87.7 135.6 60.6 8.8 33.2 11.3 11.9 108 110 A G H X> + 0 0 0 -3,-2.1 4,-1.2 -6,-0.3 3,-0.9 0.829 63.0 72.1 -39.8 -35.7 34.2 14.9 12.6 109 111 A W H 3> S+ 0 0 13 -4,-0.4 4,-2.5 17,-0.4 -1,-0.3 0.713 81.7 68.5 -63.8 -23.0 30.7 15.7 11.3 110 112 A R H <> S+ 0 0 74 -3,-2.3 4,-1.6 2,-0.2 -1,-0.3 0.921 99.8 49.5 -62.5 -44.6 29.3 14.4 14.6 111 113 A A H S+ 0 0 0 -4,-2.5 5,-3.3 2,-0.2 -1,-0.2 0.859 105.2 54.3 -70.2 -32.6 25.9 18.2 13.7 114 116 A K H ><5S+ 0 0 82 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.944 108.0 48.9 -61.7 -48.9 25.7 18.6 17.5 115 117 A A H 3<5S+ 0 0 7 -4,-1.6 -108,-0.3 1,-0.3 -1,-0.2 0.802 113.3 48.8 -57.2 -31.4 26.3 22.3 17.2 116 118 A L T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.313 110.7-118.6 -98.0 8.5 23.7 22.5 14.5 117 119 A D T < 5 + 0 0 118 -3,-1.5 2,-0.7 1,-0.2 -3,-0.2 0.877 58.9 157.2 55.9 37.4 21.0 20.6 16.4 118 120 A I < - 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0 0 7 0, 0.0 -91,-0.1 0, 0.0 -92,-0.1 -0.458 9.8-153.6 -69.1 150.7 35.8 21.7 -8.8 155 157 A V S S+ 0 0 1 1,-0.2 2,-0.3 -2,-0.1 -95,-0.1 0.299 75.7 37.9-108.3 4.3 32.0 21.0 -8.8 156 158 A T S > S- 0 0 21 1,-0.1 3,-1.4 -97,-0.1 4,-0.3 -0.988 74.7-126.7-155.6 146.2 32.1 18.6 -11.8 157 159 A V G > S+ 0 0 27 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.889 110.5 59.5 -61.1 -42.3 34.5 15.8 -13.1 158 160 A D G 3 S+ 0 0 140 1,-0.2 -1,-0.3 -3,-0.1 0, 0.0 0.710 108.0 48.0 -43.8 -29.9 34.7 17.5 -16.5 159 161 A E G < S+ 0 0 95 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.356 76.7 118.1-109.0 0.9 36.1 20.6 -14.8 160 162 A V < - 0 0 28 -3,-1.4 -7,-0.1 -4,-0.3 5,-0.1 -0.598 65.0-129.0 -67.1 117.6 38.8 19.1 -12.5 161 163 A P > - 0 0 32 0, 0.0 3,-2.8 0, 0.0 4,-0.2 -0.510 9.9-128.3 -69.3 138.2 42.2 20.5 -13.6 162 164 A P G > >S+ 0 0 82 0, 0.0 3,-2.4 0, 0.0 5,-2.1 0.870 109.7 68.1 -53.1 -34.3 44.9 17.9 -14.3 163 165 A E G 3 5S+ 0 0 51 1,-0.3 8,-0.5 3,-0.1 9,-0.1 0.632 98.2 50.8 -59.8 -14.2 47.0 20.0 -11.9 164 166 A M G < 5S+ 0 0 14 -3,-2.8 -27,-2.7 6,-0.1 -1,-0.3 0.311 126.5 13.0-102.6 7.7 44.7 18.9 -9.1 165 167 A A T X 5S+ 0 0 11 -3,-2.4 3,-1.5 -29,-0.3 4,-0.1 0.017 130.1 7.6-142.4-114.6 44.9 15.2 -9.9 166 168 A G T 3 5S+ 0 0 37 1,-0.3 3,-0.2 -31,-0.2 -3,-0.1 0.750 136.3 41.5 -57.8 -27.7 47.2 13.1 -12.1 167 169 A E T > + 0 0 2 -3,-1.5 4,-1.3 1,-0.3 3,-1.2 0.784 60.0 71.4 -64.7 -30.2 49.4 17.4 -9.2 169 171 A E H 3> S+ 0 0 31 1,-0.3 4,-2.7 -3,-0.2 -1,-0.3 0.755 87.6 64.8 -61.7 -26.0 53.1 18.2 -9.3 170 172 A R H <> S+ 0 0 132 -3,-1.3 4,-1.7 1,-0.2 -1,-0.3 0.844 101.8 49.5 -62.4 -36.6 52.4 21.1 -11.7 171 173 A L H <4 S+ 0 0 7 -3,-1.2 4,-0.4 -8,-0.5 -2,-0.2 0.863 112.4 47.4 -70.9 -38.4 50.4 22.8 -8.9 172 174 A I H ><>S+ 0 0 3 -4,-1.3 3,-1.4 2,-0.2 5,-0.5 0.949 112.2 47.5 -67.1 -50.5 53.2 22.3 -6.4 173 175 A E H ><5S+ 0 0 120 -4,-2.7 3,-2.1 1,-0.3 -2,-0.2 0.929 97.7 72.5 -56.9 -48.5 56.0 23.5 -8.7 174 176 A R T 3<5S+ 0 0 128 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.661 97.1 51.2 -36.0 -28.7 54.0 26.6 -9.8 175 177 A Y T < 5S- 0 0 64 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.1 0.097 93.8-131.6-115.8 23.5 54.6 28.2 -6.3 176 178 A D T < 5 + 0 0 164 -3,-2.1 -3,-0.1 1,-0.1 -2,-0.1 0.548 49.5 170.2 49.8 13.1 58.4 28.0 -5.7 177 179 A V < - 0 0 22 -5,-0.5 2,-0.2 1,-0.1 -1,-0.1 -0.096 38.0-103.3 -62.9 143.6 57.6 26.5 -2.3 178 180 A P - 0 0 93 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.490 36.0-171.2 -68.1 136.4 60.1 25.0 0.2 179 181 A I - 0 0 55 -2,-0.2 2,-0.1 42,-0.0 42,-0.0 -0.999 8.3-150.2-128.1 128.4 60.2 21.2 0.4 180 182 A D > - 0 0 64 -2,-0.4 4,-2.4 42,-0.1 5,-0.1 -0.364 34.1 -96.7 -88.6 177.2 62.1 19.2 2.9 181 183 A E H > S+ 0 0 165 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.830 121.8 53.2 -67.0 -36.0 63.6 15.7 2.5 182 184 A K H >> S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 3,-0.6 0.985 113.1 44.7 -58.5 -56.1 60.7 13.8 4.2 183 185 A E H 3> S+ 0 0 2 1,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.857 109.9 55.5 -54.7 -42.0 58.3 15.6 1.8 184 186 A E H 3X S+ 0 0 74 -4,-2.4 4,-1.4 1,-0.2 -1,-0.3 0.858 107.9 49.3 -59.3 -38.6 60.5 14.9 -1.2 185 187 A R H < - 0 0 75 -4,-1.8 3,-1.8 1,-0.1 -1,-0.3 -0.850 59.5-164.1-149.7 107.7 50.8 7.0 -7.8 194 196 A P T 3 S+ 0 0 12 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.610 93.9 56.7 -67.2 -13.3 49.0 10.1 -6.5 195 197 A W T 3 S+ 0 0 64 -58,-0.1 -61,-0.1 -5,-0.1 -5,-0.1 0.178 72.0 136.2-105.3 13.9 46.3 7.9 -5.0 196 198 A T < - 0 0 6 -3,-1.8 5,-0.1 -7,-0.1 -3,-0.0 -0.491 62.0-114.1 -61.0 123.3 48.7 5.8 -2.8 197 199 A P > - 0 0 51 0, 0.0 4,-1.7 0, 0.0 5,-0.1 -0.153 18.8-118.9 -61.2 156.1 47.1 5.5 0.6 198 200 A H H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 14,-0.1 0.794 111.8 54.2 -71.3 -29.2 48.8 7.2 3.5 199 201 A D H > S+ 0 0 73 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.832 107.5 52.2 -76.0 -29.1 49.4 4.0 5.5 200 202 A E H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.928 110.3 47.4 -62.2 -46.0 51.1 2.5 2.5 201 203 A I H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 6,-0.2 0.928 111.4 53.2 -62.2 -43.2 53.3 5.6 2.3 202 204 A A H >X>S+ 0 0 6 -4,-2.6 5,-2.6 1,-0.2 4,-1.1 0.941 111.1 44.3 -50.7 -57.1 53.9 5.1 6.1 203 205 A R H 3<5S+ 0 0 173 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.842 111.3 55.3 -59.3 -36.5 55.0 1.5 5.7 204 206 A R H 3<5S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.775 117.5 32.9 -72.5 -27.4 57.2 2.3 2.7 205 207 A L H <<5S- 0 0 28 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.442 109.8-114.6-106.6 -2.3 59.2 5.0 4.5 206 208 A G T <5S+ 0 0 68 -4,-1.1 2,-0.2 1,-0.3 -3,-0.2 0.834 77.3 121.8 68.3 34.5 59.1 3.4 7.9 207 209 A L < - 0 0 37 -5,-2.6 -1,-0.3 -6,-0.2 2,-0.2 -0.703 66.0-106.7-115.6 169.8 57.1 6.3 9.3 208 210 A S >> - 0 0 52 -2,-0.2 4,-1.8 1,-0.1 3,-0.8 -0.615 37.0-106.4 -88.2 160.9 53.7 6.5 11.0 209 211 A V H >> S+ 0 0 57 1,-0.2 4,-2.6 -2,-0.2 3,-0.9 0.956 121.3 54.3 -47.8 -56.1 50.7 7.9 9.1 210 212 A S H 3> S+ 0 0 82 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.743 107.2 50.2 -53.8 -28.7 50.9 11.1 11.2 211 213 A E H <4 S+ 0 0 91 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.802 112.0 48.3 -80.3 -31.1 54.5 11.6 10.3 212 214 A V H << S+ 0 0 0 -4,-1.8 11,-2.0 -3,-0.9 -2,-0.2 0.914 120.2 37.9 -65.2 -44.1 53.6 11.1 6.6 213 215 A E H < S- 0 0 29 -4,-2.6 11,-2.1 9,-0.3 12,-1.0 0.948 86.2-176.8 -79.7 -52.9 50.7 13.5 6.9 214 216 A G < - 0 0 21 -4,-2.1 2,-0.3 -5,-0.2 8,-0.1 -0.278 45.1 -37.0 79.2-171.5 52.0 16.3 9.2 215 217 A E - 0 0 41 2,-0.2 2,-2.7 1,-0.1 13,-0.2 -0.625 57.3-113.7 -86.8 145.7 49.9 19.2 10.4 216 218 A K S S+ 0 0 3 -2,-0.3 9,-0.1 12,-0.1 -1,-0.1 -0.368 90.8 88.9 -74.0 60.7 47.4 20.8 8.0 217 219 A D S > S- 0 0 5 -2,-2.7 3,-0.5 -124,-0.1 -2,-0.2 -0.979 87.7-112.4-159.3 145.0 49.5 24.0 8.1 218 220 A P T 3 S+ 0 0 20 0, 0.0 2,-0.7 0, 0.0 11,-0.1 0.754 108.5 61.6 -51.1 -32.5 52.5 25.4 6.1 219 221 A E T 3 S+ 0 0 153 2,-0.1 2,-0.2 9,-0.0 -126,-0.1 -0.406 91.9 71.6-101.5 54.0 54.9 25.1 9.0 220 222 A S S < S- 0 0 45 -2,-0.7 2,-0.4 -3,-0.5 -6,-0.1 -0.716 82.4-104.6-139.6-164.8 54.9 21.4 9.6 221 223 A S S S+ 0 0 31 -2,-0.2 2,-0.3 4,-0.1 3,-0.1 -0.960 70.4 62.4-137.6 115.2 56.3 18.4 7.8 222 224 A G S > S- 0 0 0 -2,-0.4 4,-2.5 -8,-0.1 -9,-0.3 -0.909 92.2 -70.4 156.4 179.5 54.2 16.1 5.7 223 225 A I H > S+ 0 0 1 -11,-2.0 4,-2.0 -2,-0.3 5,-0.2 0.864 129.8 52.3 -72.2 -34.1 51.9 16.0 2.6 224 226 A Y H > S+ 0 0 8 -11,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.927 112.3 47.0 -61.8 -43.5 49.2 17.9 4.5 225 227 A S H > S+ 0 0 0 -12,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.921 110.3 50.3 -66.8 -45.3 51.8 20.6 5.3 226 228 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.898 112.8 46.5 -61.9 -44.3 53.2 20.8 1.8 227 229 A W H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 5,-0.2 0.861 110.6 52.9 -66.3 -38.3 49.8 21.3 0.2 228 230 A S H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.974 105.5 55.0 -55.7 -54.5 48.9 23.8 2.9 229 231 A R H < S+ 0 0 27 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.812 115.5 39.7 -45.6 -41.7 52.1 25.7 1.9 230 232 A V H >X S+ 0 0 0 -4,-1.5 3,-2.5 2,-0.1 4,-0.8 0.962 113.8 50.0 -73.0 -59.3 50.8 25.7 -1.7 231 233 A V H >< S+ 0 0 0 -4,-3.3 3,-1.0 1,-0.3 -2,-0.2 0.855 103.1 61.9 -51.3 -39.8 47.0 26.4 -1.2 232 234 A V T 3< S+ 0 0 67 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 0.605 104.1 50.6 -66.3 -11.1 47.8 29.4 1.1 233 235 A N T <4 S+ 0 0 87 -3,-2.5 2,-0.6 -5,-0.2 -1,-0.3 0.616 87.0 90.5-100.5 -19.3 49.6 31.0 -1.9 234 236 A I S << S- 0 0 21 -3,-1.0 2,-0.1 -4,-0.8 3,-0.1 -0.728 83.8-124.9 -80.6 121.5 46.8 30.6 -4.4 235 237 A E - 0 0 172 -2,-0.6 2,-0.1 1,-0.1 -2,-0.1 -0.391 26.9 -98.0 -75.1 143.1 44.7 33.8 -4.0 236 238 A Y - 0 0 106 -2,-0.1 2,-0.8 1,-0.1 -1,-0.1 -0.352 29.8-151.7 -62.9 130.0 41.0 33.5 -3.3 237 239 A D > - 0 0 64 1,-0.2 4,-2.7 -2,-0.1 5,-0.1 -0.855 14.3-178.6-108.5 95.0 38.9 33.8 -6.5 238 240 A E H > S+ 0 0 100 -2,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.810 79.4 56.1 -65.8 -33.2 35.5 35.2 -5.3 239 241 A R H > S+ 0 0 188 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.959 113.1 39.1 -64.3 -56.1 34.0 35.1 -8.8 240 242 A T H > S+ 0 0 26 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.923 112.6 58.3 -57.1 -49.3 34.6 31.4 -9.3 241 243 A A H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.881 107.3 47.3 -46.4 -45.0 33.7 30.8 -5.7 242 244 A K H X S+ 0 0 107 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.786 110.0 51.7 -72.2 -34.2 30.2 32.4 -6.4 243 245 A R H X S+ 0 0 154 -4,-1.6 4,-2.4 -3,-0.3 5,-0.3 0.934 111.5 47.1 -67.2 -44.7 29.6 30.4 -9.6 244 246 A H H X S+ 0 0 21 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.940 113.1 50.4 -56.0 -48.8 30.4 27.1 -7.7 245 247 A V H X S+ 0 0 44 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.911 116.9 37.5 -60.4 -46.0 28.1 28.2 -4.9 246 248 A K H < S+ 0 0 168 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.804 119.7 47.6 -80.2 -28.6 25.1 29.1 -7.1 247 249 A R H >X S+ 0 0 73 -4,-2.4 4,-2.2 -5,-0.2 3,-0.9 0.840 96.4 70.5 -75.1 -37.2 25.6 26.2 -9.6 248 250 A R H 3X S+ 0 0 9 -4,-2.1 4,-3.3 1,-0.3 5,-0.2 0.778 90.7 57.0 -66.1 -30.6 26.1 23.4 -7.2 249 251 A D H 3X S+ 0 0 52 -4,-0.5 4,-1.9 2,-0.2 -1,-0.3 0.894 109.6 47.5 -67.1 -37.1 22.5 23.1 -5.9 250 252 A R H <> S+ 0 0 145 -3,-0.9 4,-2.5 -4,-0.4 -2,-0.2 0.931 112.0 51.1 -65.2 -49.2 21.3 22.7 -9.5 251 253 A L H X S+ 0 0 16 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.941 107.0 52.9 -47.6 -58.5 24.1 20.0 -10.0 252 254 A L H X S+ 0 0 3 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.899 110.2 47.8 -46.0 -51.3 23.0 18.2 -6.8 253 255 A E H X S+ 0 0 99 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.937 112.9 50.2 -56.3 -44.6 19.4 18.0 -8.1 254 256 A E H X S+ 0 0 86 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.926 110.0 47.8 -61.6 -46.6 20.8 16.8 -11.5 255 257 A L H X S+ 0 0 18 -4,-3.1 4,-3.3 1,-0.2 -1,-0.2 0.866 110.2 54.8 -62.3 -35.0 22.9 14.1 -10.0 256 258 A Y H X S+ 0 0 45 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.873 106.1 50.0 -68.8 -37.1 19.9 13.0 -7.9 257 259 A E H X S+ 0 0 140 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.922 114.2 46.4 -62.4 -42.6 17.7 12.6 -11.0 258 260 A H H >X S+ 0 0 59 -4,-2.0 4,-2.9 1,-0.2 3,-0.6 0.985 112.8 48.6 -60.4 -60.5 20.5 10.5 -12.5 259 261 A L H 3X S+ 0 0 7 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.810 111.7 49.4 -48.5 -40.4 21.0 8.4 -9.3 260 262 A E H 3X S+ 0 0 90 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.827 110.7 50.0 -74.6 -31.4 17.2 7.7 -9.0 261 263 A E H