==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 21-DEC-11 3V7J . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR S.RANGARAJAN,J.JAEGER . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17927.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 68.5 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 . 27 8.3 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 . 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 . 13 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 37.9 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 1 3 0 2 2 2 0 0 1 1 1 1 1 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 . 0 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 9 A E 0 0 139 0, 0.0 40,-0.0 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 91.1 26.8 -6.1 1.0 2 10 A T > + 0 0 133 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.251 360.0 98.9 79.8 -81.1 26.3 -7.7 3.6 3 11 A L T 3 S+ 0 0 58 1,-0.3 3,-0.2 2,-0.1 36,-0.1 0.800 95.8 17.2 -44.5 -55.0 29.2 -5.4 4.8 4 12 A N T 3> S+ 0 0 8 37,-0.2 4,-2.2 1,-0.2 3,-0.4 -0.142 81.5 131.4-118.5 35.9 27.3 -2.6 6.6 5 13 A G H <> + 0 0 21 -3,-1.6 4,-3.3 1,-0.2 5,-0.2 0.810 69.2 57.9 -60.0 -36.3 24.0 -4.3 7.1 6 14 A G H > S+ 0 0 34 -4,-0.3 4,-1.4 -3,-0.2 -1,-0.2 0.890 110.6 43.1 -63.2 -40.3 23.7 -3.4 10.8 7 15 A I H > S+ 0 0 2 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.892 115.1 48.7 -72.2 -40.9 24.0 0.3 10.0 8 16 A T H X S+ 0 0 20 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.947 111.0 49.9 -67.5 -45.1 21.6 0.1 7.0 9 17 A D H X S+ 0 0 112 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.874 109.2 55.1 -55.1 -37.7 19.0 -1.9 9.1 10 18 A M H X S+ 0 0 7 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.940 111.5 41.7 -62.8 -44.5 19.5 0.8 11.7 11 19 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.848 110.7 55.2 -74.5 -34.1 18.7 3.6 9.3 12 20 A V H X S+ 0 0 47 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.914 109.4 49.6 -64.6 -38.6 15.8 1.7 7.6 13 21 A E H X S+ 0 0 61 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.875 110.4 49.5 -67.3 -36.5 14.3 1.4 11.0 14 22 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.881 109.9 52.3 -66.6 -37.1 14.8 5.1 11.7 15 23 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 3,-0.3 0.975 107.6 50.2 -60.1 -53.8 13.1 5.9 8.4 16 24 A N H X S+ 0 0 53 -4,-2.3 4,-1.5 1,-0.3 -1,-0.2 0.747 110.3 51.9 -60.4 -26.9 10.1 3.8 9.1 17 25 A F H X>S+ 0 0 31 -4,-1.2 5,-2.3 3,-0.2 4,-1.5 0.875 110.5 47.0 -71.2 -43.1 9.8 5.6 12.5 18 26 A E H <5S+ 0 0 5 -4,-2.1 6,-1.9 -3,-0.3 -2,-0.2 0.857 120.8 37.1 -72.9 -32.1 9.9 9.0 10.9 19 27 A K H <5S+ 0 0 56 -4,-2.5 -3,-0.2 4,-0.2 -2,-0.2 0.974 126.8 33.3 -77.6 -62.5 7.3 8.1 8.2 20 28 A N H <5S+ 0 0 18 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.554 135.5 20.1 -70.7 -14.6 4.9 5.9 10.1 21 29 A V T <5S+ 0 0 14 -4,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.689 128.3 34.1-128.2 -54.7 5.2 7.6 13.6 22 30 A S S > - 0 0 29 -6,-1.9 4,-2.0 1,-0.2 3,-0.6 -0.791 29.3-177.3-108.7 84.6 8.4 14.0 9.0 25 33 A I H 3> S+ 0 0 88 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.800 78.8 54.1 -54.7 -38.6 8.7 13.1 5.3 26 34 A H H 3> S+ 0 0 158 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.847 109.2 47.6 -70.5 -36.0 12.1 14.8 4.8 27 35 A K H <> S+ 0 0 118 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.896 109.6 55.0 -69.8 -37.7 13.7 12.8 7.7 28 36 A Y H X S+ 0 0 47 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.952 113.4 40.6 -58.7 -50.1 12.2 9.7 6.3 29 37 A N H X S+ 0 0 77 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.900 109.5 59.4 -67.0 -40.4 13.9 10.3 2.9 30 38 A A H X S+ 0 0 48 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.914 111.4 42.2 -50.9 -44.7 17.1 11.5 4.6 31 39 A Y H X S+ 0 0 23 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.876 113.1 52.2 -73.2 -38.9 17.4 8.1 6.2 32 40 A R H X S+ 0 0 98 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.971 112.5 44.8 -58.6 -53.4 16.3 6.2 3.1 33 41 A K H X S+ 0 0 129 -4,-3.2 4,-3.1 1,-0.2 5,-0.2 0.886 114.1 50.1 -59.0 -39.7 18.9 7.9 1.0 34 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.918 110.4 49.1 -65.6 -43.2 21.6 7.4 3.7 35 43 A A H X S+ 0 0 7 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.884 113.7 48.9 -63.6 -36.0 20.8 3.8 4.0 36 44 A S H X S+ 0 0 70 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.957 110.1 46.5 -70.0 -52.0 21.0 3.5 0.2 37 45 A V H < S+ 0 0 35 -4,-3.1 4,-0.5 1,-0.2 3,-0.3 0.876 114.9 50.1 -60.3 -33.2 24.3 5.3 -0.4 38 46 A I H >< S+ 0 0 1 -4,-2.0 3,-1.0 -5,-0.2 -1,-0.2 0.870 103.7 56.7 -69.9 -40.2 25.8 3.2 2.5 39 47 A A H 3< S+ 0 0 43 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.732 107.1 52.2 -63.6 -21.6 24.5 -0.1 1.1 40 48 A K T 3< S+ 0 0 155 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.639 84.7 109.7 -86.0 -18.3 26.5 0.8 -2.1 41 49 A Y < - 0 0 41 -3,-1.0 -37,-0.2 -4,-0.5 4,-0.1 -0.418 61.6-147.8 -69.3 129.8 29.8 1.5 -0.2 42 50 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.569 70.8 71.5 -76.5 -11.9 32.5 -1.2 -0.8 43 51 A H S S- 0 0 102 -39,-0.0 2,-0.6 1,-0.0 -2,-0.1 -0.789 86.5-108.0-112.0 151.2 34.2 -1.0 2.7 44 52 A K - 0 0 95 -2,-0.3 2,-0.2 1,-0.1 -40,-0.1 -0.635 46.2-124.0 -67.5 115.4 33.3 -2.1 6.2 45 53 A I + 0 0 0 -2,-0.6 3,-0.1 1,-0.1 -1,-0.1 -0.445 34.5 175.1 -72.1 138.2 32.6 1.2 7.9 46 54 A K + 0 0 148 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.529 61.4 23.4-122.4 -16.2 34.6 1.8 11.0 47 55 A S > - 0 0 40 1,-0.1 4,-1.4 22,-0.0 -1,-0.3 -0.971 68.8-120.0-148.0 160.6 33.7 5.3 12.1 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 15,-0.1 0.885 115.1 58.7 -62.9 -41.3 30.9 7.8 11.7 49 57 A A H > S+ 0 0 67 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.804 102.0 52.8 -60.2 -33.3 33.4 10.1 10.1 50 58 A E H >4 S+ 0 0 35 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.930 111.8 45.9 -69.2 -44.3 34.1 7.6 7.3 51 59 A A H >< S+ 0 0 0 -4,-1.4 3,-1.7 1,-0.2 -2,-0.2 0.837 102.4 66.2 -65.6 -31.5 30.4 7.3 6.6 52 60 A K H 3< S+ 0 0 101 -4,-2.3 5,-0.3 1,-0.3 -1,-0.2 0.843 87.5 67.9 -62.9 -31.0 30.1 11.2 6.7 53 61 A K T << S+ 0 0 177 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.798 84.5 92.3 -53.4 -27.4 32.3 11.3 3.5 54 62 A L S X S- 0 0 26 -3,-1.7 3,-2.1 -4,-0.4 2,-0.1 -0.510 91.7-110.4 -74.6 132.9 29.4 9.7 1.8 55 63 A P T 3 S+ 0 0 93 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.456 106.0 27.4 -62.7 130.3 26.9 12.2 0.2 56 64 A G T 3 S+ 0 0 33 1,-0.2 2,-0.6 -4,-0.1 -22,-0.2 0.210 96.2 101.5 101.0 -12.7 23.7 12.0 2.2 57 65 A V < + 0 0 6 -3,-2.1 -1,-0.2 -5,-0.3 2,-0.1 -0.932 54.2 171.8-103.7 116.7 25.3 11.0 5.4 58 66 A G > - 0 0 31 -2,-0.6 4,-2.5 -3,-0.1 5,-0.2 -0.355 47.0 -67.8-114.0-164.9 25.6 14.0 7.6 59 67 A T H > S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.883 125.4 47.9 -52.6 -46.6 26.5 15.0 11.2 60 68 A K H > S+ 0 0 157 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.888 113.2 44.2 -74.5 -38.0 23.6 13.4 12.9 61 69 A I H > S+ 0 0 16 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.844 110.2 57.9 -72.4 -34.7 23.8 10.0 11.2 62 70 A A H X S+ 0 0 8 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.919 106.0 49.8 -57.4 -43.8 27.6 10.0 11.7 63 71 A E H X S+ 0 0 126 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.885 112.6 46.9 -61.4 -39.5 26.9 10.4 15.4 64 72 A K H X S+ 0 0 36 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.881 109.7 52.4 -72.6 -40.7 24.4 7.5 15.3 65 73 A I H X S+ 0 0 0 -4,-3.1 4,-3.3 2,-0.2 5,-0.3 0.945 106.9 54.1 -58.7 -45.7 26.8 5.3 13.4 66 74 A D H X S+ 0 0 81 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.919 112.2 43.9 -51.0 -47.6 29.5 6.1 16.0 67 75 A E H X>S+ 0 0 36 -4,-1.8 4,-2.6 2,-0.2 5,-0.6 0.901 113.9 50.1 -66.8 -42.9 27.1 4.9 18.8 68 76 A F H X5S+ 0 0 49 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.939 112.8 46.0 -61.7 -46.6 26.0 1.8 16.8 69 77 A L H <5S+ 0 0 57 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.846 116.8 45.9 -66.2 -33.3 29.6 0.8 16.0 70 78 A A H <5S+ 0 0 85 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.939 132.5 12.3 -74.1 -48.9 30.7 1.3 19.7 71 79 A T H <5S- 0 0 90 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.636 93.6-120.2-108.1 -20.8 27.9 -0.4 21.6 72 80 A G S < - 0 0 4 -2,-0.3 4,-2.7 1,-0.1 3,-0.4 -0.958 9.8-151.3-134.6 118.3 21.1 2.9 19.3 75 83 A R H > S+ 0 0 158 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.883 98.7 55.7 -52.5 -41.7 19.4 4.3 22.4 76 84 A K H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 112.1 43.6 -57.3 -40.2 16.9 6.3 20.2 77 85 A L H > S+ 0 0 4 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.868 109.7 53.4 -78.3 -41.4 15.9 3.0 18.5 78 86 A E H X S+ 0 0 61 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.864 111.4 48.8 -60.9 -35.5 15.7 1.0 21.7 79 87 A K H >X S+ 0 0 140 -4,-2.3 4,-0.9 -5,-0.3 3,-0.7 0.948 109.9 50.9 -67.3 -47.3 13.4 3.6 23.0 80 88 A I H >< S+ 0 0 17 -4,-2.3 3,-1.2 1,-0.3 7,-0.2 0.930 109.8 50.3 -52.6 -48.4 11.3 3.6 19.8 81 89 A R H 3< S+ 0 0 121 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.705 111.5 48.3 -65.0 -23.9 11.0 -0.2 20.1 82 90 A Q H << S+ 0 0 159 -4,-0.9 2,-0.4 -3,-0.7 -1,-0.3 0.557 89.5 106.1 -89.7 -8.5 9.9 0.0 23.7 83 91 A D S+ 0 0 89 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.879 91.2 54.7 -71.0 -38.4 3.7 1.6 22.9 85 93 A T H > S+ 0 0 49 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.938 111.1 46.0 -57.4 -50.0 2.4 4.4 20.7 86 94 A S H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.933 113.1 49.6 -60.0 -47.7 4.9 3.5 18.1 87 95 A S H X S+ 0 0 62 -4,-2.4 4,-1.8 -7,-0.2 -2,-0.2 0.898 112.7 47.7 -56.3 -43.1 4.1 -0.2 18.3 88 96 A S H X S+ 0 0 11 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.937 110.0 51.1 -67.4 -46.8 0.4 0.5 18.1 89 97 A I H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.3 -2,-0.2 0.922 111.1 48.9 -57.5 -44.5 0.7 2.8 15.1 90 98 A N H < S+ 0 0 60 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.869 111.6 50.9 -65.2 -31.1 2.8 0.2 13.3 91 99 A F H >< S+ 0 0 53 -4,-1.8 3,-2.5 -5,-0.2 -2,-0.2 0.990 110.1 45.6 -70.0 -53.3 0.2 -2.4 14.1 92 100 A L H >< S+ 0 0 0 -4,-3.0 3,-2.4 1,-0.3 -1,-0.2 0.856 102.7 68.1 -52.0 -34.9 -2.8 -0.5 12.9 93 101 A T T 3< S+ 0 0 30 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.546 82.3 74.6 -70.6 -5.8 -0.9 0.4 9.8 94 102 A R T < S+ 0 0 126 -3,-2.5 2,-0.6 -4,-0.2 -1,-0.3 0.582 75.2 92.7 -82.2 -10.4 -1.0 -3.3 8.8 95 103 A V S X S- 0 0 2 -3,-2.4 3,-2.8 -4,-0.2 37,-0.1 -0.750 91.1-112.9 -80.8 121.4 -4.7 -2.9 7.8 96 104 A T T 3 S+ 0 0 48 -2,-0.6 35,-0.4 35,-0.3 36,-0.1 -0.290 106.2 28.8 -55.5 132.2 -4.9 -2.1 4.1 97 105 A G T 3 S+ 0 0 33 1,-0.2 2,-0.7 -4,-0.1 -1,-0.3 0.102 99.3 103.2 99.7 -21.8 -6.2 1.5 3.8 98 106 A I < + 0 0 9 -3,-2.8 -1,-0.2 -6,-0.2 -3,-0.1 -0.862 44.7 160.9 -96.1 117.9 -4.7 2.4 7.1 99 107 A G > - 0 0 29 -2,-0.7 4,-2.7 -3,-0.1 5,-0.2 -0.564 58.5 -70.9-118.5-172.1 -1.6 4.4 6.8 100 108 A P H > S+ 0 0 33 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.838 126.7 54.6 -52.9 -45.9 0.3 6.7 9.3 101 109 A S H > S+ 0 0 85 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.967 114.7 37.7 -52.8 -60.7 -2.4 9.5 9.2 102 110 A A H > S+ 0 0 22 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.917 113.7 59.7 -59.0 -39.7 -5.3 7.3 10.2 103 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.907 106.1 45.9 -56.3 -45.3 -3.0 5.3 12.5 104 112 A R H X S+ 0 0 82 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.936 112.7 50.0 -58.7 -52.0 -2.2 8.5 14.6 105 113 A K H X S+ 0 0 110 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.917 115.0 44.9 -57.9 -43.9 -5.8 9.5 14.8 106 114 A L H <>S+ 0 0 5 -4,-3.0 5,-2.6 2,-0.2 3,-0.3 0.929 113.8 45.4 -68.0 -49.0 -6.8 6.0 15.9 107 115 A V H ><5S+ 0 0 11 -4,-2.9 3,-2.0 1,-0.2 -2,-0.2 0.902 108.3 59.8 -64.3 -36.3 -4.1 5.4 18.5 108 116 A D H 3<5S+ 0 0 110 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.881 105.1 49.7 -54.6 -37.0 -4.8 8.9 19.9 109 117 A E T 3<5S- 0 0 85 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.259 126.4-101.8 -88.2 14.4 -8.4 7.8 20.5 110 118 A G T < 5S+ 0 0 41 -3,-2.0 2,-0.8 1,-0.2 -3,-0.2 0.581 80.5 135.8 78.9 9.4 -7.2 4.6 22.3 111 119 A I < + 0 0 6 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.816 13.4 134.4 -94.0 111.2 -7.9 2.4 19.3 112 120 A K + 0 0 78 -2,-0.8 2,-0.2 -3,-0.1 -1,-0.2 0.545 48.9 57.1-134.3 -17.9 -4.9 0.1 19.0 113 121 A T S > S- 0 0 56 1,-0.1 4,-2.3 -22,-0.1 5,-0.2 -0.702 80.9-108.6-120.8 170.6 -5.9 -3.5 18.4 114 122 A L H > S+ 0 0 33 -2,-0.2 4,-2.7 2,-0.2 5,-0.2 0.939 123.2 51.1 -60.4 -45.5 -8.0 -5.5 15.9 115 123 A E H > S+ 0 0 145 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.902 110.5 50.0 -55.5 -43.6 -10.6 -6.0 18.6 116 124 A D H 4 S+ 0 0 45 1,-0.2 3,-0.4 2,-0.2 4,-0.2 0.883 111.2 47.5 -61.8 -43.6 -10.5 -2.2 19.1 117 125 A L H >< S+ 0 0 2 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.904 106.3 57.2 -67.6 -40.3 -11.0 -1.5 15.5 118 126 A R H 3< S+ 0 0 75 -4,-2.7 3,-0.4 1,-0.3 -1,-0.2 0.698 106.5 51.8 -67.2 -17.6 -13.8 -4.0 15.1 119 127 A K T 3< S+ 0 0 151 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.471 113.7 44.2 -92.9 -5.4 -15.6 -2.0 17.8 120 128 A N X + 0 0 44 -3,-2.1 3,-2.0 -4,-0.2 4,-0.2 -0.230 59.7 137.9-134.1 47.9 -15.1 1.3 16.0 121 129 A E G > + 0 0 78 -3,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.730 68.0 72.1 -69.6 -17.6 -15.9 0.7 12.3 122 130 A D G 3 S+ 0 0 116 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.678 92.8 57.7 -69.0 -16.0 -17.7 4.1 12.3 123 131 A K G < S+ 0 0 76 -3,-2.0 -1,-0.3 -6,-0.2 2,-0.3 0.605 99.9 78.4 -83.7 -13.7 -14.3 5.6 12.5 124 132 A L S < S- 0 0 10 -3,-1.6 2,-0.1 -4,-0.2 -26,-0.0 -0.662 71.9-130.7-105.6 150.4 -13.2 3.8 9.2 125 133 A N > - 0 0 82 -2,-0.3 4,-2.1 -28,-0.1 5,-0.2 -0.316 41.7 -93.2 -83.6 176.8 -13.8 4.4 5.5 126 134 A H H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.954 125.7 49.8 -58.5 -52.2 -15.0 1.6 3.1 127 135 A H H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.937 112.7 47.5 -47.9 -54.5 -11.4 0.6 2.1 128 136 A Q H > S+ 0 0 17 1,-0.2 4,-1.9 -31,-0.2 -1,-0.2 0.799 108.9 53.8 -61.2 -30.4 -10.3 0.4 5.8 129 137 A R H X S+ 0 0 102 -4,-2.1 4,-2.3 -3,-0.4 -1,-0.2 0.868 108.8 48.9 -74.0 -34.4 -13.4 -1.7 6.8 130 138 A I H X S+ 0 0 10 -4,-2.1 4,-1.9 -3,-0.3 -2,-0.2 0.909 111.3 51.5 -65.9 -40.9 -12.7 -4.2 4.0 131 139 A G H < S+ 0 0 1 -4,-2.2 -35,-0.3 -35,-0.4 -2,-0.2 0.845 111.5 45.2 -65.7 -35.7 -9.1 -4.3 5.3 132 140 A L H >< S+ 0 0 0 -4,-1.9 3,-1.9 2,-0.2 4,-0.3 0.943 109.2 57.5 -70.8 -46.4 -10.1 -5.0 8.9 133 141 A K H 3< S+ 0 0 116 -4,-2.3 -2,-0.2 1,-0.3 3,-0.2 0.859 120.1 27.5 -53.5 -43.1 -12.7 -7.6 7.8 134 142 A Y T 3X S+ 0 0 10 -4,-1.9 4,-3.3 1,-0.2 -1,-0.3 0.010 81.2 129.3-111.2 30.2 -10.0 -9.6 6.0 135 143 A F H <> S+ 0 0 10 -3,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.921 79.6 40.0 -49.3 -53.2 -7.0 -8.6 8.1 136 144 A E H >> S+ 0 0 93 -4,-0.3 3,-0.9 -3,-0.2 4,-0.8 0.901 115.8 50.6 -65.8 -43.2 -6.0 -12.2 8.7 137 145 A D H >4 S+ 0 0 32 1,-0.3 3,-1.6 2,-0.2 -2,-0.2 0.958 107.2 53.7 -60.6 -50.1 -6.8 -13.5 5.2 138 146 A F H 3< S+ 0 0 44 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.610 106.0 54.7 -63.9 -11.4 -4.8 -10.7 3.5 139 147 A E H << S+ 0 0 93 -3,-0.9 -1,-0.3 -4,-0.5 2,-0.2 0.620 88.8 95.2 -97.6 -13.8 -1.7 -11.6 5.6 140 148 A K S << S- 0 0 108 -3,-1.6 2,-0.1 -4,-0.8 -3,-0.0 -0.503 79.4-119.2 -71.4 140.0 -1.7 -15.2 4.5 141 149 A R - 0 0 141 -2,-0.2 40,-0.2 38,-0.0 -2,-0.1 -0.489 25.5-126.1 -69.6 149.6 0.5 -16.2 1.6 142 150 A I E -A 180 0A 1 38,-3.6 38,-2.3 -2,-0.1 2,-0.1 -0.894 21.2-128.6 -99.5 125.2 -1.4 -17.6 -1.4 143 151 A P E >> -A 179 0A 51 0, 0.0 4,-1.9 0, 0.0 3,-1.3 -0.472 21.0-116.5 -71.5 146.3 -0.1 -21.1 -2.6 144 152 A R H 3> S+ 0 0 67 34,-3.0 4,-2.2 1,-0.3 5,-0.2 0.813 113.2 64.6 -46.4 -35.9 0.7 -21.3 -6.3 145 153 A E H 3> S+ 0 0 121 33,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.873 105.6 40.5 -61.0 -41.5 -2.1 -23.9 -6.5 146 154 A E H <> S+ 0 0 31 -3,-1.3 4,-3.2 2,-0.2 -1,-0.2 0.869 110.9 58.2 -75.8 -37.1 -4.8 -21.4 -5.7 147 155 A M H X S+ 0 0 2 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.879 106.3 51.0 -55.1 -38.1 -3.1 -18.7 -7.8 148 156 A L H X S+ 0 0 55 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.885 109.9 47.2 -71.0 -39.9 -3.5 -21.1 -10.7 149 157 A Q H >X S+ 0 0 69 -4,-1.4 4,-2.0 2,-0.2 3,-0.6 0.972 114.0 48.4 -61.7 -51.9 -7.2 -21.7 -10.0 150 158 A M H 3X S+ 0 0 1 -4,-3.2 4,-2.1 1,-0.3 5,-0.3 0.916 107.6 55.2 -53.1 -50.0 -7.7 -17.9 -9.7 151 159 A Q H 3X S+ 0 0 46 -4,-2.8 4,-2.2 1,-0.2 -1,-0.3 0.840 106.9 51.9 -52.1 -38.3 -5.8 -17.3 -12.9 152 160 A D H X S+ 0 0 6 -4,-2.4 4,-2.5 -5,-0.3 3,-0.6 0.939 109.2 48.9 -59.9 -48.9 -12.4 -12.8 -19.8 159 167 A K H 3< S+ 0 0 114 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.961 109.3 51.2 -55.4 -55.2 -12.2 -15.0 -22.9 160 168 A K H 3< S+ 0 0 152 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.664 111.6 51.2 -60.1 -18.8 -16.0 -15.8 -22.9 161 169 A L H << S- 0 0 31 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.946 137.2 -17.1 -77.5 -58.5 -16.5 -12.1 -22.7 162 170 A D >< - 0 0 37 -4,-2.5 3,-2.6 -5,-0.1 -1,-0.2 -0.864 52.6-151.2-155.9 111.8 -14.3 -11.1 -25.6 163 171 A P T 3 S+ 0 0 88 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.661 97.2 65.8 -63.9 -13.4 -11.7 -13.4 -27.1 164 172 A E T 3 S+ 0 0 117 -5,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.586 78.8 104.3 -83.1 -13.9 -9.7 -10.3 -28.1 165 173 A Y < - 0 0 6 -3,-2.6 2,-0.5 -7,-0.2 24,-0.2 -0.419 60.4-153.4 -61.6 141.5 -9.1 -9.4 -24.5 166 174 A I E -B 188 0B 42 22,-2.4 22,-2.5 -2,-0.1 2,-0.4 -0.991 15.2-179.1-119.2 127.3 -5.6 -10.2 -23.3 167 175 A A E -B 187 0B 14 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.985 2.6-178.9-129.1 132.9 -5.2 -10.9 -19.6 168 176 A T E -B 186 0B 28 18,-3.0 18,-3.0 -2,-0.4 2,-0.5 -0.992 20.6-145.9-137.7 132.8 -2.0 -11.7 -17.8 169 177 A V E +B 185 0B 4 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.830 34.3 179.2 -93.6 124.3 -1.3 -12.5 -14.1 170 178 A C >> + 0 0 3 14,-2.9 4,-0.8 -2,-0.5 3,-0.5 0.080 27.6 70.4-109.6-147.0 2.1 -11.0 -13.2 171 179 A G H >> S- 0 0 23 93,-2.5 3,-1.6 1,-0.2 4,-0.9 -0.006 106.6 -33.5 63.6-171.0 4.5 -10.7 -10.3 172 180 A S H 34>S+ 0 0 37 1,-0.3 5,-2.4 2,-0.2 -1,-0.2 0.739 132.3 68.5 -53.4 -27.8 6.5 -13.5 -8.8 173 181 A F H X45S+ 0 0 5 -3,-0.5 3,-1.9 1,-0.2 -1,-0.3 0.927 97.9 51.4 -57.2 -43.6 3.7 -15.9 -9.5 174 182 A R H <<5S+ 0 0 59 -3,-1.6 -1,-0.2 -4,-0.8 -2,-0.2 0.795 104.2 57.3 -68.0 -26.8 4.5 -15.5 -13.2 175 183 A R T 3<5S- 0 0 68 -4,-0.9 -1,-0.3 90,-0.2 -2,-0.2 0.410 128.9 -99.2 -82.7 4.0 8.1 -16.3 -12.4 176 184 A G T < 5 + 0 0 28 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.608 59.1 176.0 93.7 13.7 6.9 -19.6 -10.9 177 185 A A < - 0 0 29 -5,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.059 35.4-133.1 -49.5 147.8 6.9 -18.7 -7.2 178 186 A E S S+ 0 0 157 1,-0.1 -34,-3.0 -35,-0.1 2,-0.3 0.812 88.8 17.3 -75.0 -30.3 5.6 -21.3 -4.8 179 187 A S E -A 143 0A 40 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.926 67.3-156.6-138.0 166.3 3.5 -18.6 -3.0 180 188 A S E -A 142 0A 4 -38,-2.3 -38,-3.6 -2,-0.3 3,-0.1 -0.991 20.9-143.1-143.1 147.2 2.1 -15.2 -3.6 181 189 A G S S- 0 0 37 -2,-0.3 65,-0.4 -40,-0.2 2,-0.2 0.874 83.0 -31.8 -71.8 -38.7 1.0 -12.2 -1.6 182 190 A D - 0 0 70 63,-0.1 2,-0.4 -40,-0.1 65,-0.2 -0.802 69.7 -86.3-160.5-168.3 -1.8 -11.3 -4.0 183 191 A M E - c 0 247B 1 63,-1.9 65,-2.4 -2,-0.2 2,-0.7 -0.986 27.7-168.1-129.1 125.2 -2.8 -11.3 -7.7 184 192 A D E - c 0 248B 29 -2,-0.4 -14,-2.9 -14,-0.2 2,-0.5 -0.904 10.7-170.4-114.2 99.6 -1.8 -8.6 -10.1 185 193 A V E -Bc 169 249B 3 63,-2.9 65,-2.7 -2,-0.7 2,-0.4 -0.826 8.9-161.1 -99.5 129.6 -3.6 -8.8 -13.4 186 194 A L E -Bc 168 250B 0 -18,-3.0 -18,-3.0 -2,-0.5 2,-0.3 -0.894 17.5-173.2-101.2 135.3 -2.7 -6.7 -16.4 187 195 A L E +Bc 167 251B 1 63,-3.1 65,-2.9 -2,-0.4 2,-0.3 -0.958 9.2 166.6-133.2 145.5 -5.4 -6.5 -19.1 188 196 A T E -B 166 0B 0 -22,-2.5 -22,-2.4 -2,-0.3 5,-0.1 -0.957 20.3-151.5-149.8 173.9 -5.7 -5.0 -22.6 189 197 A H > - 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