==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 17-AUG-10 3OGU . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.MARX,K.DIEDERICHS,K.BERGEN . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 8.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 15 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 2 1 1 2 3 0 0 0 3 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 10 A T > 0 0 155 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 119.9 66.7 57.3 59.7 2 11 A L T 3 + 0 0 92 1,-0.3 3,-0.1 36,-0.1 36,-0.1 0.839 360.0 11.1 -53.2 -47.0 64.5 60.5 59.4 3 12 A N T 3> S+ 0 0 9 35,-0.1 4,-2.4 1,-0.1 3,-0.3 -0.120 85.7 133.5-123.2 35.9 61.2 58.8 59.9 4 13 A G H <> + 0 0 3 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.828 69.1 58.3 -57.2 -36.9 62.4 55.4 61.1 5 14 A G H > S+ 0 0 33 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.939 110.4 42.1 -57.8 -49.1 60.0 55.4 64.0 6 15 A I H > S+ 0 0 3 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.928 116.0 47.7 -65.1 -46.7 57.0 55.7 61.7 7 16 A T H X S+ 0 0 17 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.846 110.7 52.3 -66.9 -33.9 58.3 53.2 59.1 8 17 A D H X S+ 0 0 111 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.935 110.0 49.3 -62.7 -47.4 59.2 50.7 61.8 9 18 A M H X S+ 0 0 7 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.920 112.4 46.9 -56.9 -48.9 55.6 51.0 63.2 10 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.888 111.3 51.1 -63.3 -41.0 54.1 50.5 59.8 11 20 A T H X S+ 0 0 61 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.886 108.8 51.2 -65.4 -39.5 56.3 47.5 58.9 12 21 A E H X S+ 0 0 63 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.920 111.8 47.3 -62.5 -43.2 55.4 45.8 62.2 13 22 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.883 109.5 54.9 -63.8 -38.9 51.7 46.4 61.4 14 23 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.952 108.6 47.0 -58.1 -50.9 52.4 45.0 57.9 15 24 A N H X S+ 0 0 77 -4,-2.6 4,-3.2 1,-0.2 5,-0.4 0.839 110.6 53.6 -61.7 -34.8 53.9 41.8 59.3 16 25 A F H X>S+ 0 0 33 -4,-1.8 4,-2.4 2,-0.2 5,-1.9 0.938 109.3 46.8 -64.5 -48.1 50.9 41.5 61.7 17 26 A E H <>S+ 0 0 4 -4,-2.5 6,-2.6 3,-0.2 5,-0.6 0.860 119.4 42.0 -62.9 -35.4 48.4 41.7 58.9 18 27 A K H <5S+ 0 0 93 -4,-2.1 -2,-0.2 4,-0.2 -1,-0.2 0.954 124.1 32.3 -75.9 -52.6 50.3 39.2 56.8 19 28 A N H <5S+ 0 0 26 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.859 135.7 17.9 -77.0 -38.5 51.3 36.7 59.5 20 29 A V T <5S+ 0 0 9 -4,-2.4 -3,-0.2 -5,-0.4 -4,-0.1 0.888 132.5 33.3-100.8 -56.9 48.3 36.8 61.9 21 30 A S T - 0 0 29 -6,-2.6 4,-2.3 1,-0.2 3,-0.5 -0.829 27.3-172.3-106.8 93.3 44.8 40.2 55.3 24 33 A I H > S+ 0 0 92 -2,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.818 79.6 52.9 -58.1 -38.0 46.6 40.8 52.1 25 34 A H H > S+ 0 0 154 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.857 111.1 45.5 -71.7 -35.4 45.2 44.3 51.3 26 35 A K H > S+ 0 0 116 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.891 112.2 52.7 -71.3 -41.0 46.1 45.7 54.7 27 36 A Y H X S+ 0 0 31 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.945 111.8 46.3 -55.5 -49.6 49.6 44.1 54.4 28 37 A N H X S+ 0 0 75 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.904 111.8 50.9 -60.0 -44.2 50.0 45.8 51.0 29 38 A A H X S+ 0 0 46 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.920 111.6 46.4 -62.0 -46.4 48.7 49.2 52.3 30 39 A Y H X S+ 0 0 15 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.917 113.5 49.4 -63.5 -43.9 51.1 49.2 55.3 31 40 A R H X S+ 0 0 147 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.919 112.3 47.1 -60.6 -46.2 54.1 48.2 53.1 32 41 A K H X S+ 0 0 120 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.892 112.0 51.1 -64.1 -39.7 53.3 50.9 50.5 33 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 22,-0.2 5,-0.2 0.914 110.0 49.4 -63.4 -43.8 52.9 53.5 53.2 34 43 A A H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.915 111.4 49.6 -61.4 -43.7 56.2 52.6 54.8 35 44 A S H X S+ 0 0 61 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.912 112.9 45.6 -63.8 -45.1 58.0 52.7 51.4 36 45 A V H >X S+ 0 0 33 -4,-2.3 3,-0.7 1,-0.2 4,-0.6 0.925 113.9 48.0 -65.1 -46.2 56.6 56.1 50.5 37 46 A I H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.858 104.8 61.1 -64.0 -34.4 57.3 57.7 53.9 38 47 A A H 3< S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.809 106.3 46.4 -61.6 -30.5 60.8 56.3 53.8 39 48 A K H << S+ 0 0 171 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.549 86.6 113.5 -88.8 -10.1 61.5 58.4 50.7 40 49 A Y << - 0 0 47 -3,-0.9 -37,-0.1 -4,-0.6 4,-0.1 -0.465 60.4-148.5 -68.2 130.9 60.0 61.5 52.2 41 50 A P + 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.536 68.9 70.3 -81.4 -9.0 62.6 64.2 52.8 42 51 A H S S- 0 0 106 -39,-0.0 2,-0.7 1,-0.0 -2,-0.1 -0.812 87.3-105.3-116.7 152.2 61.1 65.8 55.9 43 52 A K - 0 0 94 -2,-0.3 2,-0.2 1,-0.1 -40,-0.1 -0.622 44.6-127.1 -69.5 110.3 60.6 64.9 59.5 44 53 A I + 0 0 0 -2,-0.7 3,-0.1 1,-0.1 -1,-0.1 -0.424 30.7 178.9 -66.0 128.9 56.9 64.1 59.7 45 54 A K + 0 0 152 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.475 61.3 15.1-111.2 -6.7 55.2 66.1 62.5 46 55 A S > - 0 0 40 1,-0.1 4,-1.6 22,-0.0 -1,-0.2 -0.992 69.2-113.1-160.9 161.0 51.6 65.0 62.1 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.851 116.6 59.1 -62.9 -34.5 49.3 62.4 60.6 48 57 A A H > S+ 0 0 58 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.885 103.6 49.9 -63.3 -41.0 47.9 65.2 58.4 49 58 A E H >4 S+ 0 0 42 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.910 113.0 46.8 -63.0 -42.5 51.3 65.9 56.9 50 59 A A H >< S+ 0 0 0 -4,-1.6 3,-1.8 1,-0.2 -2,-0.2 0.815 101.0 66.4 -69.1 -31.1 51.8 62.2 56.1 51 60 A K H 3< S+ 0 0 99 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.660 85.9 71.2 -68.1 -15.5 48.3 61.9 54.6 52 61 A K T << S+ 0 0 169 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.666 85.4 88.5 -71.8 -15.3 49.3 64.2 51.8 53 62 A L S X S- 0 0 28 -3,-1.8 3,-1.8 -4,-0.2 2,-0.1 -0.616 92.1-101.6 -88.0 142.8 51.5 61.3 50.5 54 63 A P T 3 S+ 0 0 88 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.398 108.7 25.3 -60.8 132.0 50.1 58.6 48.1 55 64 A G T 3 S+ 0 0 32 1,-0.2 2,-0.7 -4,-0.1 -22,-0.2 0.248 96.7 106.0 96.8 -11.6 49.3 55.4 50.0 56 65 A V < + 0 0 9 -3,-1.8 -1,-0.2 -6,-0.2 2,-0.1 -0.898 46.3 164.8-105.6 112.5 48.7 57.2 53.3 57 66 A G > - 0 0 32 -2,-0.7 4,-2.0 -3,-0.1 5,-0.2 -0.140 51.5 -68.2-109.2-156.4 45.0 57.4 54.3 58 67 A T H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.905 125.5 47.6 -66.9 -45.5 42.9 58.2 57.3 59 68 A K H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 114.9 45.0 -67.7 -40.4 43.7 55.1 59.3 60 69 A I H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 111.5 53.3 -71.7 -37.2 47.5 55.4 58.9 61 70 A A H X S+ 0 0 8 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.877 107.4 53.2 -62.0 -37.7 47.4 59.1 59.6 62 71 A E H X S+ 0 0 105 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.923 109.1 47.4 -62.6 -46.0 45.5 58.3 62.8 63 72 A K H X S+ 0 0 25 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.847 110.0 53.3 -66.0 -34.8 48.2 55.9 63.9 64 73 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.901 106.8 52.8 -65.7 -40.6 51.0 58.3 63.0 65 74 A D H X S+ 0 0 75 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.928 110.7 47.0 -58.3 -46.4 49.2 61.0 65.2 66 75 A E H X S+ 0 0 68 -4,-2.0 4,-2.6 1,-0.2 6,-0.6 0.914 112.6 48.6 -63.2 -44.7 49.2 58.6 68.2 67 76 A F H X S+ 0 0 50 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.886 114.5 45.0 -64.3 -40.7 52.8 57.5 67.8 68 77 A L H < S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.814 118.4 44.2 -72.2 -30.6 54.0 61.1 67.5 69 78 A A H < S+ 0 0 83 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.836 131.7 17.5 -83.6 -34.8 51.9 62.2 70.4 70 79 A T H < S- 0 0 78 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.559 93.9-122.4-117.1 -15.4 52.5 59.4 72.8 71 80 A G S < S+ 0 0 53 -4,-1.8 2,-0.3 -5,-0.5 -4,-0.2 0.569 86.3 60.9 80.8 9.4 55.7 57.7 71.5 72 81 A K S S- 0 0 99 -6,-0.6 2,-0.4 -63,-0.0 -2,-0.3 -0.952 74.3-125.3-155.1 171.1 53.9 54.4 71.2 73 82 A L > - 0 0 6 -2,-0.3 4,-1.9 1,-0.1 3,-0.5 -0.963 10.5-154.1-129.5 114.7 51.0 52.6 69.5 74 83 A R H > S+ 0 0 120 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.895 95.6 58.1 -52.8 -45.2 48.4 50.8 71.7 75 84 A K H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 107.8 46.4 -52.2 -46.0 47.5 48.4 69.0 76 85 A L H > S+ 0 0 5 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.853 110.2 53.3 -67.9 -35.5 51.1 47.3 68.7 77 86 A E H X S+ 0 0 52 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.917 110.8 47.5 -63.0 -42.3 51.4 46.9 72.5 78 87 A K H X S+ 0 0 118 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.893 111.7 50.8 -63.8 -41.3 48.3 44.7 72.4 79 88 A I H < S+ 0 0 17 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.915 107.3 51.7 -64.5 -45.5 49.6 42.7 69.5 80 89 A R H < S+ 0 0 137 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.835 115.6 42.5 -61.9 -33.5 53.0 42.0 71.2 81 90 A Q H < S+ 0 0 136 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.806 87.8 110.9 -81.5 -32.4 51.2 40.8 74.3 82 91 A D X - 0 0 67 -4,-2.0 4,-2.1 -5,-0.1 5,-0.2 -0.177 61.0-148.0 -52.6 126.3 48.6 38.8 72.5 83 92 A D H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.928 95.3 47.5 -61.2 -49.0 49.1 35.0 73.1 84 93 A T H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 112.6 48.1 -62.9 -44.5 47.8 34.0 69.7 85 94 A S H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 113.0 48.5 -64.1 -41.7 49.8 36.5 67.7 86 95 A S H X S+ 0 0 54 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.884 110.4 51.2 -66.5 -39.7 53.0 35.6 69.5 87 96 A S H X S+ 0 0 16 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.897 110.2 49.5 -64.7 -40.9 52.4 31.9 69.0 88 97 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.946 110.3 49.7 -62.6 -48.9 51.9 32.5 65.3 89 98 A N H < S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.878 113.1 48.1 -57.7 -39.5 55.1 34.5 65.0 90 99 A L H >< S+ 0 0 43 -4,-2.1 3,-1.8 1,-0.2 4,-0.2 0.948 111.0 48.7 -65.6 -50.3 57.0 31.8 66.8 91 100 A L H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.3 6,-0.2 0.858 102.8 62.4 -61.1 -36.9 55.7 29.0 64.7 92 101 A T T 3< S+ 0 0 37 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.375 87.7 73.4 -73.1 5.6 56.4 30.8 61.4 93 102 A R T < S+ 0 0 124 -3,-1.8 2,-0.7 -5,-0.1 -1,-0.3 0.554 78.0 90.7 -89.4 -10.4 60.1 30.7 62.4 94 103 A V S X S- 0 0 2 -3,-2.0 3,-2.9 -4,-0.2 37,-0.1 -0.768 91.9-115.1 -85.7 115.2 60.0 27.0 61.6 95 104 A S T 3 S+ 0 0 41 -2,-0.7 35,-0.4 35,-0.3 36,-0.2 -0.245 104.1 28.4 -51.6 124.5 61.0 26.5 57.9 96 105 A G T 3 S+ 0 0 35 -4,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.141 96.4 102.2 106.7 -18.3 57.9 25.1 56.2 97 106 A I < + 0 0 5 -3,-2.9 -3,-0.2 -6,-0.2 -1,-0.1 -0.842 49.1 173.4-101.5 101.5 55.4 26.7 58.5 98 107 A G > - 0 0 31 -2,-0.8 4,-2.8 -3,-0.1 5,-0.2 -0.236 52.6 -79.0 -92.0-173.2 53.9 29.8 56.9 99 108 A P H > S+ 0 0 34 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.837 130.0 51.3 -56.1 -36.4 51.0 32.0 58.1 100 109 A S H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.948 113.5 41.8 -67.9 -49.5 48.4 29.4 57.0 101 110 A A H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.896 113.6 53.6 -64.6 -41.0 50.0 26.4 58.8 102 111 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.898 108.2 49.9 -60.7 -42.5 50.7 28.5 61.9 103 112 A R H X S+ 0 0 70 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.925 111.5 49.1 -60.9 -45.8 47.1 29.6 62.1 104 113 A K H X S+ 0 0 98 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.909 113.8 45.6 -60.7 -45.6 46.0 25.9 61.8 105 114 A F H <>S+ 0 0 0 -4,-2.7 5,-2.7 2,-0.2 4,-0.2 0.934 112.5 49.4 -64.5 -48.5 48.4 24.8 64.5 106 115 A V H ><5S+ 0 0 5 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.863 108.9 53.3 -62.4 -36.9 47.6 27.6 66.9 107 116 A D H 3<5S+ 0 0 113 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.881 106.1 54.5 -61.7 -37.3 43.8 26.9 66.5 108 117 A E T 3<5S- 0 0 105 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.444 127.2-101.1 -77.8 -0.2 44.6 23.2 67.3 109 118 A G T < 5S+ 0 0 44 -3,-1.2 2,-0.8 1,-0.3 -3,-0.2 0.584 80.5 135.7 90.3 11.2 46.2 24.3 70.6 110 119 A I < + 0 0 5 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.838 14.6 147.8 -93.3 107.6 49.8 24.0 69.3 111 120 A K + 0 0 71 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.2 0.573 50.6 43.0-120.1 -16.3 51.5 27.1 70.5 112 121 A T S > S- 0 0 57 1,-0.1 4,-1.8 -22,-0.1 5,-0.1 -0.805 81.5-105.8-130.8 170.4 55.2 26.3 71.2 113 122 A L H > S+ 0 0 30 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.883 121.7 54.3 -62.2 -39.0 58.1 24.4 69.7 114 123 A E H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.892 105.2 54.0 -63.4 -37.6 57.6 21.7 72.4 115 124 A D H > S+ 0 0 43 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.899 108.2 49.8 -60.1 -42.2 54.0 21.4 71.2 116 125 A L H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.919 108.3 52.3 -62.5 -44.5 55.2 20.8 67.7 117 126 A R H >< S+ 0 0 115 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.841 110.2 48.6 -61.4 -33.9 57.7 18.1 68.8 118 127 A K H 3< S+ 0 0 143 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.600 118.3 41.7 -81.2 -11.9 54.8 16.4 70.6 119 128 A N T X< + 0 0 41 -3,-0.9 3,-2.2 -4,-0.7 -1,-0.2 -0.172 68.1 135.5-126.0 39.2 52.7 16.6 67.5 120 129 A E G X + 0 0 91 -3,-0.8 3,-1.7 1,-0.3 -1,-0.1 0.750 65.1 71.3 -61.5 -24.0 55.3 15.8 64.8 121 130 A D G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.718 92.6 57.3 -63.3 -21.8 52.7 13.6 63.2 122 131 A K G < S+ 0 0 76 -3,-2.2 2,-0.3 -6,-0.2 -1,-0.3 0.410 94.6 86.8 -89.7 0.9 50.8 16.7 62.1 123 132 A L S < S- 0 0 6 -3,-1.7 2,-0.1 -4,-0.1 -26,-0.0 -0.798 72.8-130.6-105.7 143.6 53.8 18.1 60.3 124 133 A N > - 0 0 85 -2,-0.3 4,-2.3 -28,-0.1 5,-0.2 -0.327 41.3 -91.7 -78.8 172.3 54.9 17.5 56.7 125 134 A H H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.876 126.3 49.6 -54.7 -44.8 58.4 16.4 55.8 126 135 A H H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.935 111.7 48.7 -59.9 -48.2 59.7 20.0 55.3 127 136 A Q H > S+ 0 0 10 -31,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.855 108.9 53.2 -63.3 -36.9 58.2 21.2 58.6 128 137 A R H X S+ 0 0 99 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.893 111.4 46.1 -64.8 -40.6 59.7 18.2 60.5 129 138 A I H X S+ 0 0 12 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.909 111.3 51.8 -67.7 -43.3 63.1 19.1 59.1 130 139 A G H < S+ 0 0 1 -4,-2.6 -35,-0.3 -35,-0.4 -2,-0.2 0.886 113.6 45.1 -58.5 -40.4 62.6 22.8 59.9 131 140 A L H >< S+ 0 0 9 -4,-2.2 3,-1.5 1,-0.2 4,-0.3 0.914 109.2 55.0 -70.2 -44.8 61.7 21.8 63.5 132 141 A K H 3< S+ 0 0 144 -4,-2.6 3,-0.2 1,-0.3 -2,-0.2 0.865 121.7 29.7 -56.1 -39.4 64.6 19.4 63.8 133 142 A Y T 3X S+ 0 0 16 -4,-2.1 4,-2.8 1,-0.2 -1,-0.3 -0.010 79.5 130.8-111.9 28.6 67.1 22.1 62.9 134 143 A F H <> S+ 0 0 21 -3,-1.5 4,-0.7 1,-0.2 -1,-0.2 0.885 78.9 41.0 -49.1 -47.6 65.2 25.1 64.2 135 144 A G H >> S+ 0 0 40 -4,-0.3 3,-1.2 -3,-0.2 4,-0.6 0.957 114.2 49.9 -67.2 -52.9 68.2 26.4 66.1 136 145 A D H >4 S+ 0 0 35 1,-0.3 3,-1.3 2,-0.2 -2,-0.2 0.889 106.9 56.3 -53.6 -43.6 70.8 25.7 63.4 137 146 A F H 3< S+ 0 0 38 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.705 104.5 52.2 -67.6 -20.8 68.7 27.4 60.7 138 147 A E H << S+ 0 0 92 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.537 92.9 97.4 -91.1 -5.9 68.5 30.7 62.6 139 148 A K S << S- 0 0 107 -3,-1.3 2,-0.2 -4,-0.6 -3,-0.0 -0.506 77.2-118.6 -79.5 149.0 72.3 30.8 63.1 140 149 A R - 0 0 142 -2,-0.2 40,-0.2 38,-0.0 -1,-0.1 -0.566 22.2-126.9 -80.5 150.5 74.6 32.8 60.8 141 150 A I E -A 179 0A 2 38,-3.6 38,-2.5 -2,-0.2 40,-0.1 -0.898 23.3-130.8-101.9 114.0 77.2 30.9 58.8 142 151 A P E >> -A 178 0A 44 0, 0.0 4,-1.9 0, 0.0 3,-1.5 -0.338 19.2-119.1 -61.7 142.3 80.7 32.4 59.3 143 152 A R H 3> S+ 0 0 67 34,-2.7 4,-2.5 1,-0.3 5,-0.2 0.875 114.3 63.4 -48.5 -41.6 82.6 33.1 56.0 144 153 A E H 3> S+ 0 0 129 33,-0.3 4,-1.1 1,-0.2 -1,-0.3 0.861 107.5 41.6 -51.3 -40.3 85.2 30.6 57.2 145 154 A E H <> S+ 0 0 31 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.837 109.0 57.8 -79.5 -34.0 82.6 27.8 57.1 146 155 A M H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.864 105.9 52.4 -60.1 -35.8 81.1 29.0 53.8 147 156 A L H X S+ 0 0 73 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.862 108.7 48.7 -69.7 -36.5 84.6 28.6 52.3 148 157 A Q H X S+ 0 0 78 -4,-1.1 4,-1.5 -5,-0.2 -2,-0.2 0.891 113.2 48.0 -66.8 -40.3 84.8 25.0 53.6 149 158 A M H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.924 111.1 50.3 -65.9 -45.2 81.3 24.3 52.2 150 159 A Q H X S+ 0 0 50 -4,-2.7 4,-3.1 1,-0.2 5,-0.4 0.923 106.5 56.0 -57.2 -46.2 82.3 25.9 48.8 151 160 A D H X S+ 0 0 95 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.858 111.5 43.6 -56.1 -38.5 85.4 23.8 48.7 152 161 A I H X S+ 0 0 32 -4,-1.5 4,-2.1 -3,-0.2 5,-0.3 0.936 115.8 46.8 -72.4 -47.0 83.3 20.6 49.1 153 162 A V H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.950 114.4 45.3 -61.1 -52.8 80.7 21.7 46.6 154 163 A L H X S+ 0 0 57 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.899 115.7 46.7 -60.6 -42.2 83.0 22.9 43.8 155 164 A N H X S+ 0 0 66 -4,-1.3 4,-1.2 -5,-0.4 -1,-0.2 0.834 114.6 45.2 -72.9 -32.7 85.3 19.8 44.1 156 165 A E H X S+ 0 0 31 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.874 112.9 51.2 -76.9 -37.8 82.4 17.3 44.1 157 166 A V H >X S+ 0 0 6 -4,-2.6 4,-1.9 -5,-0.3 3,-0.5 0.948 110.1 49.4 -60.4 -49.1 80.7 19.0 41.3 158 167 A K H 3< S+ 0 0 126 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.849 106.9 57.5 -58.5 -35.3 83.9 18.9 39.2 159 168 A K H 3< S+ 0 0 128 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.849 105.6 49.2 -64.7 -36.3 84.2 15.2 40.1 160 169 A V H << S- 0 0 39 -4,-1.5 2,-0.2 -3,-0.5 -2,-0.2 0.914 137.8 -13.9 -70.6 -43.5 80.8 14.5 38.5 161 170 A D >< - 0 0 49 -4,-1.9 3,-2.2 -5,-0.1 -1,-0.3 -0.776 53.2-146.9-165.2 114.7 81.6 16.4 35.3 162 171 A S T 3 S+ 0 0 101 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.619 98.7 66.4 -60.2 -11.7 84.4 18.8 34.7 163 172 A E T 3 S+ 0 0 115 -5,-0.1 -1,-0.3 2,-0.1 -5,-0.1 0.649 76.6 103.6 -87.3 -16.4 82.1 20.7 32.3 164 173 A Y < - 0 0 17 -3,-2.2 2,-0.5 -7,-0.2 24,-0.2 -0.308 60.9-150.2 -56.6 147.6 79.7 21.8 35.1 165 174 A I E -B 187 0B 50 22,-2.4 22,-1.8 2,-0.0 2,-0.4 -0.989 17.0-177.2-121.4 121.9 80.1 25.4 36.2 166 175 A A E +B 186 0B 21 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.969 5.2 179.4-123.4 134.2 79.2 26.1 39.9 167 176 A T E -B 185 0B 26 18,-2.3 18,-2.7 -2,-0.4 2,-0.7 -0.966 22.6-143.9-137.3 117.9 79.2 29.4 41.6 168 177 A V E +B 184 0B 3 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.711 36.3 173.7 -75.9 117.3 78.3 30.2 45.2 169 178 A C + 0 0 3 14,-2.5 3,-0.5 -2,-0.7 4,-0.4 0.098 26.2 81.2-104.7-144.7 76.5 33.6 45.0 170 179 A G S >> S- 0 0 22 93,-1.8 3,-1.3 90,-0.2 4,-0.7 -0.175 107.4 -37.3 70.7-169.2 74.6 35.8 47.5 171 180 A S G >4>S+ 0 0 36 1,-0.3 5,-2.4 2,-0.2 3,-0.6 0.780 132.5 71.6 -59.1 -26.8 76.4 38.2 49.9 172 181 A F G >45S+ 0 0 5 -3,-0.5 3,-1.6 1,-0.3 -1,-0.3 0.892 94.7 52.0 -54.4 -42.2 79.1 35.5 50.3 173 182 A R G <45S+ 0 0 53 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.780 103.9 57.4 -68.8 -25.8 80.3 36.3 46.8 174 183 A R G <<5S- 0 0 71 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.342 129.0 -99.4 -84.4 6.2 80.4 40.0 47.7 175 184 A G T < 5 + 0 0 36 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.2 0.639 58.6 177.6 88.7 16.8 82.8 39.0 50.5 176 185 A A < - 0 0 27 -5,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.173 33.2-134.9 -54.6 143.8 80.3 39.0 53.4 177 186 A E S S+ 0 0 169 1,-0.2 -34,-2.7 -35,-0.1 2,-0.3 0.694 87.7 14.0 -75.6 -20.1 81.7 38.0 56.8 178 187 A S E -A 142 0A 39 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.990 67.8-153.0-152.2 154.5 78.7 35.7 57.4 179 188 A S E -A 141 0A 3 -38,-2.5 -38,-3.6 -2,-0.3 3,-0.1 -0.881 19.4-141.2-126.6 158.8 75.8 34.2 55.4 180 189 A G S S- 0 0 38 -2,-0.3 65,-0.3 1,-0.3 2,-0.3 0.719 85.2 -24.3 -86.7 -25.1 72.3 33.1 56.2 181 190 A D S S- 0 0 68 -40,-0.1 2,-0.5 63,-0.1 -1,-0.3 -0.949 72.6 -88.3-168.9 179.7 72.5 30.1 53.8 182 191 A M E - c 0 246B 0 63,-2.2 65,-2.6 -2,-0.3 2,-0.6 -0.935 30.4-169.6-112.4 122.9 74.4 28.8 50.8 183 192 A D E - c 0 247B 19 -2,-0.5 -14,-2.5 -14,-0.3 2,-0.5 -0.940 8.1-168.4-113.5 112.5 73.0 29.6 47.3 184 193 A V E -Bc 168 248B 2 63,-2.9 65,-2.6 -2,-0.6 2,-0.5 -0.886 9.0-156.2-107.4 127.3 74.7 27.6 44.5 185 194 A L E -Bc 167 249B 0 -18,-2.7 -18,-2.3 -2,-0.5 2,-0.4 -0.898 18.2-172.8-100.8 126.3 74.2 28.4 40.8 186 195 A L E +Bc 166 250B 1 63,-3.2 65,-3.1 -2,-0.5 2,-0.3 -0.920 10.0 164.1-123.1 141.7 74.9 25.5 38.5 187 196 A T E -B 165 0B 0 -22,-1.8 -22,-2.4 -2,-0.4 3,-0.0 -0.962 16.6-161.3-147.9 169.2 75.0 25.2 34.7 188 197 A H > - 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0 0 91 -5,-0.1 -4,-2.9 1,-0.1 2,-0.5 -0.564 43.9-135.7 -75.6 130.9 59.7 46.6 22.1 298 307 A A B -G 292 0D 46 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.767 16.3-140.6 -92.2 125.5 62.2 44.1 23.6 299 308 A G - 0 0 24 -8,-3.2 3,-0.1 -2,-0.5 -1,-0.1 -0.022 35.8 -74.3 -70.3-179.7 64.8 42.6 21.3 300 309 A E - 0 0 149 1,-0.1 -1,-0.2 -10,-0.1 -11,-0.0 -0.496 66.2 -76.6 -78.4 150.4 66.0 39.0 21.4 301 310 A P - 0 0 61 0, 0.0 -11,-0.2 0, 0.0 -1,-0.1 -0.191 49.3-130.5 -49.5 124.4 68.4 37.9 24.2 302 311 A L - 0 0 42 -13,-2.6 -13,-0.4 1,-0.1 2,-0.2 -0.486 30.7 -95.8 -75.6 148.1 71.9 39.2 23.6 303 312 A P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.471 43.4-172.9 -67.7 130.6 74.8 36.6 23.8 304 313 A V + 0 0 11 -50,-0.2 -47,-0.3 -2,-0.2 -48,-0.2 -0.984 21.8 164.1-130.4 121.2 76.4 36.6 27.3 305 314 A D S S+ 0 0 119 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.287 73.0 5.8-117.1 6.0 79.5 34.6 28.0 306 315 A S S > S- 0 0 35 1,-0.1 4,-0.9 0, 0.0 3,-0.4 -0.951 77.0-100.6-173.9 163.3 80.5 36.4 31.3 307 316 A E H >> S+ 0 0 8 -2,-0.3 4,-1.6 1,-0.2 3,-0.7 0.874 120.0 62.4 -59.4 -36.8 79.3 39.0 33.8 308 317 A K H 3> S+ 0 0 103 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.862 93.0 62.4 -59.0 -37.9 81.6 41.4 32.0 309 318 A D H 3> S+ 0 0 43 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.888 103.8 49.6 -53.7 -41.0 79.7 41.1 28.8 310 319 A I H S+ 0 0 0 -4,-1.6 5,-3.1 1,-0.2 -2,-0.2 0.877 110.9 52.8 -59.0 -38.7 78.7 45.4 32.0 312 321 A D H ><5S+ 0 0 71 -4,-2.7 3,-2.4 3,-0.2 -2,-0.2 0.929 100.9 58.4 -64.4 -47.8 80.1 46.1 28.5 313 322 A Y H 3<5S+ 0 0 68 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.854 113.0 40.3 -50.1 -39.6 76.7 46.2 26.8 314 323 A I T 3<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.231 115.8-114.9 -98.0 12.9 75.6 49.1 29.0 315 324 A Q T < 5 + 0 0 138 -3,-2.4 2,-0.4 1,-0.2 -3,-0.2 0.892 66.0 144.9 57.1 44.4 79.0 50.8 28.8 316 325 A W < - 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