==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 09-FEB-12 4DOB . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.K.BATRA . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 67.8 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 . 31 9.5 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 . 3 0.9 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 . 34 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 38.3 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 2 1 1 2 3 0 1 0 2 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 . 2 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 0 177 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -16.2 9.7 -15.1 13.1 2 11 A L T 3 + 0 0 89 1,-0.3 3,-0.1 36,-0.2 36,-0.1 0.855 360.0 15.0 -47.7 -45.2 10.7 -17.4 10.1 3 12 A N T 3> S+ 0 0 14 40,-0.1 4,-2.5 1,-0.1 -1,-0.3 -0.217 90.7 138.2-118.3 42.1 14.2 -15.8 10.1 4 13 A G H <> + 0 0 15 -3,-2.1 4,-3.0 1,-0.2 5,-0.3 0.856 64.7 58.7 -56.3 -41.9 13.7 -14.2 13.5 5 14 A G H > S+ 0 0 33 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.960 111.6 40.2 -54.0 -53.8 17.3 -15.0 14.6 6 15 A I H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 115.3 49.9 -65.1 -44.1 18.8 -13.0 11.7 7 16 A T H X S+ 0 0 20 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.926 110.2 50.7 -66.2 -42.9 16.3 -10.1 11.9 8 17 A D H X S+ 0 0 109 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.942 110.7 51.2 -53.7 -46.2 16.8 -9.7 15.6 9 18 A M H X S+ 0 0 7 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.924 110.9 46.6 -60.1 -43.8 20.6 -9.7 15.0 10 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.861 111.0 51.8 -69.7 -32.4 20.4 -7.0 12.4 11 20 A T H X S+ 0 0 60 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.920 107.5 51.9 -71.0 -41.8 18.1 -4.9 14.5 12 21 A E H X S+ 0 0 62 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.932 111.7 47.8 -59.7 -42.6 20.5 -5.0 17.4 13 22 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.873 110.5 52.0 -63.2 -39.7 23.2 -3.9 15.1 14 23 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.940 109.8 49.3 -59.6 -49.0 21.0 -1.1 13.7 15 24 A N H X S+ 0 0 66 -4,-3.1 4,-3.1 1,-0.2 5,-0.4 0.927 108.7 52.7 -57.4 -45.7 20.3 0.0 17.3 16 25 A F H X>S+ 0 0 25 -4,-2.5 4,-2.9 1,-0.2 5,-1.6 0.938 110.4 47.6 -52.6 -52.3 24.1 0.0 18.1 17 26 A E H <5S+ 0 0 9 -4,-2.1 6,-3.3 3,-0.2 5,-0.3 0.878 117.0 42.3 -64.6 -38.5 24.9 2.2 15.1 18 27 A K H <5S+ 0 0 70 -4,-2.4 -1,-0.2 4,-0.2 -2,-0.2 0.964 125.4 30.9 -69.0 -52.8 22.1 4.7 15.8 19 28 A N H <5S+ 0 0 12 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.892 134.8 20.8 -79.7 -41.4 22.5 5.0 19.5 20 29 A V T <5S+ 0 0 11 -4,-2.9 -3,-0.2 -5,-0.4 -4,-0.1 0.923 131.9 34.5 -98.3 -55.7 26.2 4.4 20.1 21 30 A S S + 0 0 26 -6,-3.3 4,-1.6 1,-0.2 3,-0.4 -0.754 25.2 179.2-113.0 84.2 25.8 6.5 12.4 24 33 A I H > S+ 0 0 78 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.832 75.8 53.6 -61.9 -36.3 22.2 7.0 11.0 25 34 A H H > S+ 0 0 159 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.901 109.4 47.6 -68.3 -39.5 22.9 5.6 7.5 26 35 A K H > S+ 0 0 111 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.846 109.8 55.6 -64.0 -32.2 24.3 2.4 8.8 27 36 A Y H X S+ 0 0 32 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.955 111.3 42.7 -67.2 -47.5 21.3 2.2 11.1 28 37 A N H X S+ 0 0 30 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.897 110.0 57.1 -64.3 -40.5 19.0 2.5 8.1 29 38 A A H X S+ 0 0 51 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.957 111.2 42.9 -53.9 -54.4 21.1 0.1 6.1 30 39 A Y H X S+ 0 0 22 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.885 113.5 52.0 -59.2 -41.3 20.7 -2.6 8.8 31 40 A R H X S+ 0 0 40 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.899 109.0 50.5 -63.9 -40.0 17.0 -1.8 9.2 32 41 A K H X S+ 0 0 86 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.921 110.8 48.8 -64.4 -41.6 16.5 -2.2 5.5 33 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 22,-0.3 5,-0.2 0.947 111.2 50.1 -61.7 -48.0 18.2 -5.6 5.5 34 43 A A H X S+ 0 0 9 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.908 111.3 49.9 -55.6 -47.5 16.1 -6.7 8.4 35 44 A S H X S+ 0 0 9 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.956 111.0 46.8 -55.8 -53.6 13.0 -5.6 6.6 36 45 A V H X S+ 0 0 21 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.884 114.9 47.3 -64.6 -32.8 13.8 -7.4 3.4 37 46 A I H < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.892 106.7 56.3 -74.6 -39.5 14.7 -10.6 5.2 38 47 A A H < S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.849 110.5 46.5 -56.6 -34.5 11.6 -10.5 7.4 39 48 A K H < S+ 0 0 137 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.798 86.3 107.7 -76.9 -32.1 9.5 -10.4 4.2 40 49 A Y < - 0 0 45 -4,-1.2 4,-0.1 -5,-0.2 -37,-0.1 -0.281 65.7-144.6 -58.0 124.5 11.5 -13.3 2.5 41 50 A P S S+ 0 0 100 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.211 70.8 67.6 -86.2 18.1 9.3 -16.4 2.5 42 51 A H S S- 0 0 113 -39,-0.0 2,-0.6 0, 0.0 -2,-0.0 -0.964 89.1-102.8-130.8 149.7 12.0 -19.1 3.1 43 52 A K - 0 0 125 -2,-0.3 2,-0.2 1,-0.1 -40,-0.1 -0.593 47.2-121.6 -66.0 114.0 14.2 -20.0 6.0 44 53 A I - 0 0 2 -2,-0.6 3,-0.1 1,-0.2 -1,-0.1 -0.448 30.7-176.7 -63.0 128.0 17.6 -18.6 4.9 45 54 A K + 0 0 149 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.448 63.5 12.4-104.3 -7.1 20.2 -21.3 4.7 46 55 A S > - 0 0 34 1,-0.1 4,-1.6 22,-0.0 -1,-0.2 -0.986 66.2-115.2-165.3 157.9 23.1 -19.1 3.8 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.841 115.3 58.7 -59.6 -36.7 24.6 -15.6 3.5 48 57 A A H > S+ 0 0 67 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.933 104.8 49.5 -63.1 -46.2 24.9 -16.1 -0.2 49 58 A E H >4 S+ 0 0 40 1,-0.2 3,-0.5 2,-0.2 4,-0.2 0.873 113.7 46.7 -56.8 -43.0 21.1 -16.7 -0.4 50 59 A A H >< S+ 0 0 0 -4,-1.6 3,-2.1 1,-0.2 6,-0.2 0.834 101.3 64.4 -68.3 -35.5 20.5 -13.6 1.6 51 60 A K H 3< S+ 0 0 99 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.702 88.2 71.0 -68.5 -17.7 22.9 -11.5 -0.4 52 61 A K T << S+ 0 0 169 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.790 84.3 87.0 -59.4 -28.2 20.5 -12.0 -3.4 53 62 A L S X S- 0 0 28 -3,-2.1 3,-1.8 -4,-0.2 2,-0.3 -0.511 93.1-107.7 -81.0 141.4 18.1 -9.7 -1.6 54 63 A P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -18,-0.1 -0.533 107.7 32.6 -68.2 127.4 18.4 -5.9 -2.2 55 64 A G T 3 S+ 0 0 39 1,-0.3 2,-0.6 -2,-0.3 -22,-0.3 0.053 96.7 99.1 112.1 -22.6 19.8 -4.3 0.9 56 65 A V < + 0 0 9 -3,-1.8 -1,-0.3 -6,-0.2 2,-0.2 -0.886 51.7 167.1-100.3 124.5 21.9 -7.3 1.9 57 66 A G > - 0 0 29 -2,-0.6 4,-2.7 -3,-0.1 5,-0.2 -0.527 51.6 -67.3-123.3-166.6 25.5 -7.0 0.9 58 67 A T H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.857 126.4 47.0 -54.5 -42.1 28.9 -8.6 1.5 59 68 A K H > S+ 0 0 137 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.907 113.8 44.2 -75.3 -43.2 29.1 -7.6 5.1 60 69 A I H > S+ 0 0 14 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.890 111.9 54.9 -69.2 -37.7 25.7 -8.6 6.2 61 70 A A H X S+ 0 0 8 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.923 107.3 49.8 -59.0 -44.8 26.0 -11.9 4.3 62 71 A E H X S+ 0 0 113 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.921 111.5 50.1 -56.5 -41.2 29.3 -12.6 6.2 63 72 A K H X S+ 0 0 32 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.918 107.6 52.9 -68.2 -40.0 27.4 -11.9 9.4 64 73 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.910 107.1 52.1 -61.3 -40.9 24.6 -14.2 8.4 65 74 A D H X S+ 0 0 78 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.954 111.4 46.8 -62.0 -48.2 27.0 -17.0 7.8 66 75 A E H X>S+ 0 0 38 -4,-2.3 4,-2.9 1,-0.2 5,-0.6 0.977 113.3 49.1 -54.1 -53.6 28.6 -16.5 11.3 67 76 A F H X5S+ 0 0 43 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.894 112.4 47.4 -54.9 -41.2 25.1 -16.4 12.9 68 77 A L H <5S+ 0 0 76 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.854 115.9 44.6 -73.4 -34.0 23.9 -19.5 11.1 69 78 A A H <5S+ 0 0 86 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.904 132.2 17.0 -69.4 -44.6 27.0 -21.5 12.0 70 79 A T H <5S- 0 0 83 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.2 0.676 93.6-119.6-110.3 -22.2 27.3 -20.4 15.7 71 80 A G S < - 0 0 5 -2,-0.3 4,-2.3 1,-0.1 3,-0.4 -0.990 10.4-153.9-129.1 123.1 27.7 -12.8 16.5 74 83 A R H > S+ 0 0 166 -2,-0.4 4,-2.6 1,-0.2 5,-0.3 0.901 97.6 59.9 -63.9 -39.8 31.0 -12.1 18.2 75 84 A K H > S+ 0 0 87 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.852 110.8 41.7 -53.9 -36.9 30.7 -8.4 17.3 76 85 A L H > S+ 0 0 3 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.839 108.6 58.5 -81.1 -36.2 27.5 -8.2 19.3 77 86 A E H X S+ 0 0 83 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.963 109.9 44.8 -54.3 -50.7 28.8 -10.4 22.1 78 87 A K H X S+ 0 0 164 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.884 111.2 53.2 -61.9 -39.5 31.6 -7.8 22.7 79 88 A I H >< S+ 0 0 16 -4,-1.1 3,-1.2 -5,-0.3 7,-0.4 0.937 106.4 52.6 -63.0 -43.0 29.2 -4.9 22.4 80 89 A R H 3< S+ 0 0 97 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.827 109.0 51.2 -60.5 -31.9 26.9 -6.4 25.0 81 90 A Q H 3< S+ 0 0 151 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.607 88.0 96.8 -81.5 -12.9 29.9 -6.7 27.3 82 91 A D S+ 0 0 110 -2,-0.6 4,-3.0 2,-0.2 5,-0.2 0.892 90.3 51.5 -63.2 -44.5 29.6 -0.9 29.6 84 93 A T H > S+ 0 0 62 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.960 115.3 43.4 -60.5 -47.0 29.6 2.4 27.8 85 94 A S H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.931 114.8 48.2 -62.2 -50.7 27.7 0.8 24.9 86 95 A S H X S+ 0 0 50 -4,-3.1 4,-2.5 -7,-0.4 -1,-0.2 0.930 114.1 48.1 -54.1 -46.9 25.3 -1.0 27.1 87 96 A S H X S+ 0 0 20 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.946 112.8 46.2 -62.6 -48.7 24.7 2.2 29.2 88 97 A I H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.912 112.7 51.1 -61.1 -44.1 24.1 4.4 26.2 89 98 A N H < S+ 0 0 37 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 0.918 111.1 49.0 -62.7 -41.3 21.8 1.9 24.6 90 99 A F H >< S+ 0 0 48 -4,-2.5 3,-2.4 -5,-0.2 4,-0.3 0.957 107.7 51.8 -59.2 -53.5 19.8 1.6 27.7 91 100 A L H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.839 99.5 64.2 -60.7 -33.1 19.3 5.3 28.3 92 101 A T T 3< S+ 0 0 24 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.601 86.3 75.0 -66.5 -8.0 18.1 5.9 24.7 93 102 A R T < S+ 0 0 124 -3,-2.4 2,-0.5 -4,-0.3 -1,-0.3 0.691 76.9 89.1 -78.0 -16.6 15.1 3.7 25.7 94 103 A V S X S- 0 0 2 -3,-1.8 3,-2.3 -4,-0.3 37,-0.1 -0.705 93.7-111.9 -76.5 127.3 13.7 6.6 27.6 95 104 A S T 3 S+ 0 0 36 -2,-0.5 35,-0.3 35,-0.3 36,-0.2 -0.382 105.1 25.5 -59.9 130.3 11.5 8.8 25.4 96 105 A G T 3 S+ 0 0 31 1,-0.2 2,-0.7 -4,-0.1 -1,-0.3 0.231 98.0 100.8 96.1 -15.5 13.3 12.1 24.9 97 106 A I < + 0 0 8 -3,-2.3 -1,-0.2 -6,-0.2 -3,-0.1 -0.927 51.5 173.6 -98.2 111.2 16.8 10.7 25.5 98 107 A G > - 0 0 27 -2,-0.7 4,-2.9 -3,-0.1 5,-0.2 -0.454 50.2 -73.0-103.3-173.1 18.5 10.2 22.2 99 108 A P H > S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.860 128.7 44.0 -46.1 -50.4 22.1 9.2 21.3 100 109 A S H > S+ 0 0 84 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.984 116.0 44.5 -67.9 -54.0 23.7 12.5 22.2 101 110 A A H > S+ 0 0 28 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.922 113.5 54.2 -54.0 -41.1 21.9 13.1 25.5 102 111 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.947 111.2 43.3 -59.8 -45.5 22.5 9.4 26.3 103 112 A R H X S+ 0 0 82 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.908 113.4 52.4 -69.3 -38.7 26.3 9.8 25.7 104 113 A K H X S+ 0 0 121 -4,-3.1 4,-0.9 2,-0.2 -2,-0.2 0.922 109.5 49.3 -60.4 -43.9 26.3 13.1 27.7 105 114 A F H ><>S+ 0 0 11 -4,-3.0 5,-2.8 -5,-0.3 3,-1.2 0.935 107.2 54.2 -62.7 -45.4 24.6 11.5 30.6 106 115 A V H ><5S+ 0 0 14 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.836 105.6 54.5 -61.1 -31.2 27.0 8.6 30.6 107 116 A D H 3<5S+ 0 0 126 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.708 105.8 52.1 -69.6 -24.3 29.9 11.1 30.8 108 117 A E T <<5S- 0 0 74 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.400 124.4-107.5 -91.3 4.6 28.3 12.6 33.9 109 118 A G T < 5S+ 0 0 48 -3,-1.0 2,-0.8 -4,-0.3 -3,-0.2 0.703 76.7 138.4 74.0 22.9 28.1 9.2 35.4 110 119 A I < + 0 0 5 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.878 15.9 140.3-100.8 107.7 24.4 8.9 34.9 111 120 A K + 0 0 74 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.1 0.501 45.7 45.9-128.4 -12.2 23.9 5.4 33.7 112 121 A T S > S- 0 0 56 1,-0.1 4,-2.4 -22,-0.1 5,-0.2 -0.848 83.6 -99.6-139.3 168.8 20.9 3.6 35.2 113 122 A L H > S+ 0 0 37 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.921 124.4 55.1 -58.5 -42.4 17.2 4.1 35.9 114 123 A E H > S+ 0 0 135 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.913 107.1 48.8 -50.6 -51.3 18.3 4.8 39.5 115 124 A D H > S+ 0 0 18 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.912 110.9 49.7 -60.7 -44.3 20.6 7.6 38.4 116 125 A L H >< S+ 0 0 1 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.943 109.0 52.8 -61.1 -45.4 18.0 9.2 36.2 117 126 A R H >< S+ 0 0 156 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.782 110.8 46.0 -63.9 -28.4 15.5 9.1 39.0 118 127 A K H 3< S+ 0 0 131 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.443 115.6 48.4 -94.6 -0.0 17.9 10.9 41.4 119 128 A N T X< + 0 0 38 -3,-1.5 3,-2.3 -4,-0.6 -1,-0.2 -0.086 64.3 135.3-125.5 35.4 18.8 13.4 38.7 120 129 A E G X + 0 0 76 -3,-0.5 3,-1.7 1,-0.3 -1,-0.1 0.772 67.5 65.9 -53.4 -27.6 15.4 14.4 37.5 121 130 A D G 3 S+ 0 0 135 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.725 93.7 60.2 -72.6 -18.2 16.5 18.1 37.5 122 131 A K G < S+ 0 0 96 -3,-2.3 2,-0.4 -6,-0.2 -1,-0.3 0.418 93.8 87.4 -82.3 0.6 19.0 17.3 34.8 123 132 A L S < S- 0 0 16 -3,-1.7 -26,-0.0 -4,-0.2 2,-0.0 -0.800 73.4-131.1-104.8 139.7 16.1 16.2 32.5 124 133 A N > - 0 0 88 -2,-0.4 4,-2.1 -28,-0.1 5,-0.2 -0.217 43.1 -91.1 -71.0 179.6 14.0 18.4 30.2 125 134 A H H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.955 124.5 47.9 -62.6 -55.1 10.2 17.9 30.3 126 135 A H H > S+ 0 0 41 93,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.925 112.6 50.8 -48.3 -49.4 9.8 15.2 27.7 127 136 A Q H > S+ 0 0 17 -31,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.873 108.2 52.0 -62.2 -39.6 12.6 13.2 29.2 128 137 A R H X S+ 0 0 110 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.877 111.9 45.6 -62.1 -41.5 11.0 13.5 32.7 129 138 A I H X S+ 0 0 14 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.890 111.0 54.9 -70.9 -34.5 7.7 12.2 31.3 130 139 A G H < S+ 0 0 1 -4,-2.8 -35,-0.3 -35,-0.3 -2,-0.2 0.895 111.3 43.6 -64.5 -38.0 9.6 9.4 29.5 131 140 A L H >< S+ 0 0 8 -4,-2.0 3,-1.8 -5,-0.2 4,-0.3 0.919 108.6 58.2 -71.4 -42.1 11.2 8.3 32.7 132 141 A K H 3< S+ 0 0 129 -4,-2.2 3,-0.2 1,-0.3 -2,-0.2 0.918 119.8 29.1 -53.8 -44.4 8.0 8.5 34.7 133 142 A Y T 3X S+ 0 0 19 -4,-2.1 4,-2.6 1,-0.2 -1,-0.3 -0.040 81.8 129.5-108.4 29.0 6.3 6.1 32.3 134 143 A F H <> S+ 0 0 26 -3,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.937 78.5 39.3 -49.8 -53.7 9.4 4.1 31.4 135 144 A G H >> S+ 0 0 39 -4,-0.3 3,-1.4 -3,-0.2 4,-0.5 0.939 114.4 53.1 -64.4 -46.6 7.9 0.7 32.1 136 145 A D H >4 S+ 0 0 34 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.893 103.8 56.7 -55.1 -41.9 4.5 1.6 30.7 137 146 A F H 3< S+ 0 0 45 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.597 99.7 60.6 -74.2 -10.0 6.0 2.7 27.3 138 147 A E H << S+ 0 0 102 -3,-1.4 -1,-0.3 -4,-0.6 2,-0.2 0.613 88.3 90.3 -84.2 -18.0 7.6 -0.7 26.9 139 148 A K S << S- 0 0 101 -3,-1.7 2,-0.1 -4,-0.5 -3,-0.0 -0.606 75.4-130.1 -81.8 142.5 4.3 -2.5 26.9 140 149 A R - 0 0 140 -2,-0.2 40,-0.2 104,-0.0 -2,-0.1 -0.451 19.3-119.0 -82.4 165.4 2.4 -3.0 23.6 141 150 A I E -A 179 0A 1 38,-3.0 38,-2.3 -2,-0.1 40,-0.1 -0.919 21.9-130.5-107.6 119.4 -1.2 -2.1 23.2 142 151 A P E >> -A 178 0A 56 0, 0.0 4,-1.6 0, 0.0 3,-0.8 -0.404 22.8-119.1 -64.6 149.6 -3.6 -5.0 22.4 143 152 A R H 3> S+ 0 0 59 34,-2.3 4,-2.7 1,-0.3 5,-0.2 0.849 114.1 61.9 -57.3 -37.5 -5.9 -4.1 19.4 144 153 A E H 3> S+ 0 0 146 33,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.893 106.0 47.0 -59.0 -36.3 -8.9 -4.5 21.7 145 154 A E H <> S+ 0 0 28 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.865 107.9 54.8 -70.3 -36.8 -7.5 -1.6 23.7 146 155 A M H X S+ 0 0 1 -4,-1.6 4,-3.2 1,-0.2 -2,-0.2 0.900 106.5 53.4 -61.3 -37.5 -6.8 0.4 20.6 147 156 A L H X S+ 0 0 81 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.913 109.7 46.0 -63.4 -44.2 -10.5 -0.1 19.7 148 157 A Q H X S+ 0 0 67 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.923 115.2 47.7 -61.8 -42.8 -11.6 1.3 23.1 149 158 A M H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.914 110.0 52.3 -66.7 -42.5 -9.2 4.2 22.7 150 159 A Q H X S+ 0 0 50 -4,-3.2 4,-3.1 2,-0.2 5,-0.3 0.915 108.4 52.0 -53.1 -44.7 -10.4 4.9 19.2 151 160 A D H X S+ 0 0 97 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.950 111.0 46.3 -69.3 -44.1 -13.9 5.0 20.4 152 161 A I H X S+ 0 0 35 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.958 114.8 45.9 -56.5 -55.4 -13.1 7.5 23.1 153 162 A V H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.914 115.1 47.0 -58.7 -45.9 -11.0 9.8 20.8 154 163 A L H X S+ 0 0 59 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.962 115.0 45.5 -64.3 -48.1 -13.6 9.7 18.0 155 164 A N H X S+ 0 0 56 -4,-2.8 4,-1.6 -5,-0.3 -2,-0.2 0.926 113.6 48.7 -61.3 -41.0 -16.5 10.4 20.4 156 165 A E H X S+ 0 0 21 -4,-3.1 4,-1.3 -5,-0.2 -1,-0.2 0.925 110.8 50.3 -68.5 -39.6 -14.8 13.2 22.2 157 166 A V H >X S+ 0 0 6 -4,-2.4 4,-2.3 -5,-0.3 3,-0.7 0.936 107.1 55.4 -61.5 -43.4 -13.7 14.9 19.0 158 167 A K H 3< S+ 0 0 130 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.861 104.6 53.8 -57.6 -36.8 -17.3 14.7 17.8 159 168 A K H 3< S+ 0 0 136 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.781 107.9 50.8 -69.3 -27.7 -18.5 16.5 21.0 160 169 A V H << S- 0 0 38 -4,-1.3 2,-0.3 -3,-0.7 -2,-0.2 0.957 137.8 -18.9 -73.5 -52.2 -16.0 19.3 20.3 161 170 A D >< - 0 0 42 -4,-2.3 3,-1.8 3,-0.0 -1,-0.3 -0.858 53.5-143.3-159.2 119.5 -17.2 19.8 16.7 162 171 A S T 3 S+ 0 0 98 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.594 98.3 68.1 -57.9 -13.1 -19.1 17.4 14.6 163 172 A E T 3 S+ 0 0 117 -6,-0.1 -1,-0.3 -5,-0.1 2,-0.1 0.607 76.9 100.5 -88.6 -10.6 -17.1 18.5 11.5 164 173 A Y < - 0 0 13 -3,-1.8 2,-0.4 -7,-0.2 24,-0.2 -0.455 56.8-159.7 -63.9 144.0 -13.8 17.0 12.8 165 174 A I E -B 187 0B 80 22,-2.2 22,-2.0 -2,-0.1 2,-0.4 -0.986 6.8-169.8-126.6 123.3 -12.7 13.7 11.3 166 175 A A E -B 186 0B 11 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.951 2.0-169.3-114.9 131.9 -10.2 11.7 13.4 167 176 A T E -B 185 0B 28 18,-2.8 18,-3.1 -2,-0.4 2,-0.5 -0.986 19.4-134.2-125.7 121.8 -8.6 8.7 11.8 168 177 A V E +B 184 0B 5 -2,-0.4 16,-0.2 16,-0.2 2,-0.0 -0.621 38.5 166.8 -75.6 121.2 -6.5 6.1 13.7 169 178 A C >> + 0 0 1 14,-2.9 4,-1.1 -2,-0.5 3,-0.6 0.111 28.1 68.9-111.3-141.9 -3.4 5.4 11.7 170 179 A G H >> S- 0 0 6 93,-2.6 4,-1.2 1,-0.2 3,-0.8 -0.073 115.4 -21.7 56.7-156.0 -0.0 3.7 12.3 171 180 A S H 34>S+ 0 0 20 1,-0.3 5,-2.1 2,-0.2 -1,-0.2 0.842 135.1 64.9 -56.8 -33.3 0.1 -0.1 12.9 172 181 A F H X45S+ 0 0 14 -3,-0.6 3,-1.9 1,-0.2 -1,-0.3 0.931 102.0 46.9 -54.2 -47.4 -3.6 -0.0 13.8 173 182 A R H <<5S+ 0 0 69 -4,-1.1 -1,-0.2 -3,-0.8 149,-0.2 0.798 106.7 59.9 -71.7 -23.4 -4.7 1.1 10.4 174 183 A R T 3<5S- 0 0 42 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.363 122.3-108.3 -79.6 3.8 -2.4 -1.6 9.0 175 184 A G T < 5 + 0 0 37 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.592 57.4 167.8 84.1 12.3 -4.4 -4.2 10.8 176 185 A A < - 0 0 27 -5,-2.1 -1,-0.2 1,-0.1 3,-0.1 -0.301 39.4-137.0 -63.1 141.1 -1.9 -5.1 13.5 177 186 A E S S+ 0 0 145 1,-0.1 -34,-2.3 -35,-0.1 -33,-0.3 0.561 90.2 17.4 -77.5 -9.9 -3.2 -7.1 16.5 178 187 A S E S-A 142 0A 35 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.964 71.3-154.1-153.1 158.8 -1.2 -4.8 18.8 179 188 A S E -A 141 0A 0 -38,-2.3 -38,-3.0 -2,-0.3 3,-0.1 -0.938 22.9-136.6-133.8 150.1 0.5 -1.4 18.6 180 189 A G S S- 0 0 43 -2,-0.3 65,-0.4 -40,-0.2 2,-0.3 0.734 87.9 -23.5 -75.2 -22.1 3.3 0.4 20.3 181 190 A D S S- 0 0 37 63,-0.1 2,-0.5 -40,-0.1 65,-0.2 -0.927 74.2 -84.8-167.5-175.4 1.2 3.6 20.6 182 191 A M E - c 0 246B 0 63,-2.0 65,-2.3 -2,-0.3 2,-0.5 -0.964 29.7-168.5-118.8 132.9 -1.8 5.5 19.1 183 192 A D E - c 0 247B 20 -2,-0.5 -14,-2.9 -14,-0.3 2,-0.5 -0.968 6.3-171.5-120.4 126.3 -1.6 7.8 16.1 184 193 A V E -Bc 168 248B 2 63,-2.6 65,-2.8 -2,-0.5 2,-0.4 -0.968 10.2-159.1-126.1 118.3 -4.5 10.0 15.2 185 194 A L E -Bc 167 249B 2 -18,-3.1 -18,-2.8 -2,-0.5 2,-0.4 -0.793 17.9-165.8 -91.1 139.5 -4.8 12.0 12.1 186 195 A L E +Bc 166 250B 1 63,-3.3 65,-2.3 -2,-0.4 2,-0.3 -0.969 11.1 177.4-127.8 138.9 -7.3 14.9 12.5 187 196 A T E -B 165 0B 4 -22,-2.0 -22,-2.2 -2,-0.4 5,-0.1 -0.971 6.5-177.9-132.9 162.2 -9.0 17.2 9.9 188 197 A H > - 0 0 5 3,-0.4 3,-2.0 63,-0.4 65,-0.5 -0.967 35.0-122.4-152.8 138.6 -11.5 20.0 10.1 189 198 A P T 3 S+ 0 0 40 0, 0.0 65,-0.1 0, 0.0 8,-0.1 0.807 107.8 63.1 -56.5 -31.0 -13.0 21.9 7.1 190 199 A S T 3 S+ 0 0 9 1,-0.1 7,-2.8 6,-0.1 2,-0.7 0.690 94.6 67.7 -70.1 -16.2 -11.8 25.3 8.4 191 200 A F B < +F 196 0C 27 -3,-2.0 62,-2.6 5,-0.2 -3,-0.4 -0.901 67.9 141.7-108.6 109.1 -8.1 24.2 8.2 192 201 A T - 0 0 29 3,-3.1 -2,-0.0 -2,-0.7 -5,-0.0 -0.787 67.2 -94.9-133.1 176.8 -7.0 23.8 4.6 193 202 A S S S+ 0 0 68 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.675 126.1 47.0 -65.3 -19.2 -3.9 24.5 2.4 194 203 A E S S+ 0 0 166 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.784 122.6 5.3 -93.6 -32.8 -5.6 27.8 1.5 195 204 A S - 0 0 39 3,-0.0 -3,-3.1 0, 0.0 2,-0.7 -0.999 41.7-146.2-154.9 146.1 -6.7 29.0 4.9 196 205 A T B +F 191 0C 97 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.918 31.3 170.4-104.3 98.3 -6.7 28.6 8.6 197 206 A K + 0 0 144 -7,-2.8 -6,-0.1 -2,-0.7 -1,-0.1 0.542 63.9 41.9 -86.3 -7.0 -10.2 30.0 9.2 198 207 A Q S S- 0 0 63 -8,-0.3 3,-0.4 -3,-0.1 -1,-0.2 -0.993 74.6-143.3-146.9 128.7 -10.3 28.9 12.8 199 208 A P S S+ 0 0 91 0, 0.0 -2,-0.0 0, 0.0 -8,-0.0 -0.454 78.6 28.3 -88.5 166.2 -7.6 29.0 15.5 200 209 A K > + 0 0 132 -2,-0.1 4,-2.9 1,-0.1 5,-0.3 0.714 68.9 147.3 62.9 24.1 -6.9 26.5 18.3 201 210 A L H > S+ 0 0 7 -3,-0.4 4,-0.9 1,-0.2 -1,-0.1 0.929 78.7 33.6 -59.4 -45.6 -8.3 23.6 16.2 202 211 A L H > S+ 0 0 2 21,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.887 115.6 57.8 -74.6 -40.2 -5.8 21.1 17.7 203 212 A H H > S+ 0 0 58 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.923 102.8 53.4 -57.4 -45.0 -5.8 22.8 21.1 204 213 A Q H X S+ 0 0 82 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.886 110.8 46.5 -61.0 -39.6 -9.6 22.4 21.6 205 214 A V H X S+ 0 0 2 -4,-0.9 4,-1.9 -5,-0.3 -1,-0.2 0.888 113.2 48.8 -69.1 -41.9 -9.4 18.7 20.9 206 215 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.3 0.955 111.0 51.0 -60.3 -50.0 -6.4 18.3 23.2 207 216 A E H X S+ 0 0 104 -4,-3.6 4,-3.5 1,-0.2 3,-0.2 0.941 109.5 49.6 -52.1 -51.4 -8.3 20.3 26.0 208 217 A Q H X S+ 0 0 48 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.898 111.2 49.5 -55.5 -43.6 -11.4 18.1 25.7 209 218 A L H <>S+ 0 0 1 -4,-1.9 5,-2.6 2,-0.2 6,-1.9 0.809 114.1 44.6 -70.6 -28.8 -9.3 14.9 25.9 210 219 A Q H ><5S+ 0 0 72 -4,-2.0 3,-2.3 4,-0.2 -2,-0.2 0.881 107.7 61.3 -74.1 -40.2 -7.6 16.3 29.0 211 220 A K H 3<5S+ 0 0 154 -4,-3.5 -2,-0.2 1,-0.3 -3,-0.2 0.865 108.0 41.6 -51.2 -43.8 -11.0 17.4 30.3 212 221 A V T 3<5S- 0 0 54 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.291 118.4-112.6 -90.8 12.9 -12.2 13.8 30.4 213 222 A H T < 5S+ 0 0 155 -3,-2.3 -3,-0.2 2,-0.2 18,-0.1 0.784 86.0 118.2 59.5 31.8 -8.9 12.6 31.8 214 223 A F S - 0 0 159 4,-0.2 3,-1.8 -2,-0.2 -1,-0.1 -0.389 50.0 -61.0 -95.8 171.6 -13.5 0.1 36.6 236 245 A N T 3 S- 0 0 160 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.304 123.0 -2.2 -49.4 129.1 -14.2 -0.0 40.3 237 246 A D T 3 S+ 0 0 179 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.301 104.1 129.7 72.4 -8.4 -11.6 -2.1 42.1 238 247 A E < - 0 0 80 -3,-1.8 -1,-0.2 1,-0.1 -4,-0.1 -0.528 66.3-107.8 -87.3 140.7 -9.8 -2.8 38.8 239 248 A K - 0 0 179 -2,-0.2 -4,-0.2 1,-0.1 -1,-0.1 -0.336 45.3-101.2 -61.9 146.5 -6.1 -2.3 38.3 240 249 A E - 0 0 121 -6,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.356 32.2-111.9 -68.6 148.1 -5.3 0.7 36.1 241 250 A Y - 0 0 55 -9,-0.5 -1,-0.1 1,-0.1 -7,-0.1 -0.430 42.5 -94.3 -68.5 152.5 -4.4 0.4 32.5 242 251 A P - 0 0 28 0, 0.0 -10,-0.4 0, 0.0 2,-0.2 -0.292 43.2-103.8 -60.3 150.7 -0.8 1.3 31.5 243 252 A H - 0 0 26 -12,-0.1 2,-0.3 -3,-0.1 -12,-0.2 -0.600 43.4-153.3 -73.5 148.7 -0.2 4.8 30.3 244 253 A R E - E 0 230B 15 -14,-3.5 -14,-3.1 -2,-0.2 2,-0.2 -0.945 15.2-112.0-130.0 148.0 0.2 5.0 26.5 245 254 A R E - E 0 229B 33 -65,-0.4 -63,-2.0 -2,-0.3 2,-0.4 -0.497 35.5-173.8 -73.6 137.0 1.9 7.3 24.0 246 255 A I E -cE 182 228B 0 -18,-2.8 -18,-3.5 -65,-0.2 2,-0.4 -0.999 11.2-171.8-134.7 140.7 -0.4 9.2 21.8 247 256 A D E -cE 183 227B 22 -65,-2.3 -63,-2.6 -2,-0.4 2,-0.5 -0.996 4.3-167.9-125.3 135.5 0.4 11.5 18.8 248 257 A I E -cE 184 226B 2 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