==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 16-AUG-11 3TFS . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.T.CHAMBERLAIN,V.K.BATRA,W.A.BEARD,A.P.KADINA,D.D.SHOCK, . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17507.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 70.2 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 . 32 9.8 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 . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.0 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 . 8 2.5 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 2 1 1 1 2 2 1 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 . 1 2 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 . 3 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 0 178 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 14.3 9.5 -15.3 12.1 2 11 A L T 3 + 0 0 94 1,-0.3 3,-0.2 36,-0.2 36,-0.1 0.860 360.0 18.4 -43.4 -46.2 11.1 -17.5 9.4 3 12 A N T >> S+ 0 0 14 1,-0.1 4,-2.3 35,-0.1 3,-0.7 -0.129 81.7 139.2-123.6 35.6 14.4 -15.6 9.9 4 13 A G H <> S+ 0 0 18 -3,-1.9 4,-2.5 1,-0.3 5,-0.3 0.867 70.8 58.0 -48.6 -44.5 13.8 -14.1 13.3 5 14 A G H 3> S+ 0 0 34 -4,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.908 111.1 40.4 -52.7 -47.4 17.4 -14.8 14.3 6 15 A I H <> S+ 0 0 5 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.933 114.8 49.1 -70.7 -49.7 18.9 -12.8 11.5 7 16 A T H X S+ 0 0 21 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.887 110.2 52.9 -61.2 -39.5 16.5 -9.9 11.6 8 17 A D H X S+ 0 0 109 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.946 109.4 49.9 -56.1 -49.6 16.9 -9.6 15.4 9 18 A M H X S+ 0 0 7 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.914 112.1 46.1 -55.3 -48.9 20.7 -9.4 14.8 10 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.856 111.6 52.1 -66.1 -35.0 20.5 -6.8 12.2 11 20 A T H X S+ 0 0 62 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.909 108.6 50.7 -67.9 -41.5 18.0 -4.8 14.4 12 21 A E H X S+ 0 0 66 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.914 111.7 48.8 -61.6 -41.4 20.5 -5.0 17.3 13 22 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.926 108.9 51.9 -62.2 -47.3 23.2 -3.7 14.9 14 23 A A H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.912 110.3 50.0 -54.9 -44.9 21.0 -0.9 13.6 15 24 A N H X S+ 0 0 69 -4,-2.4 4,-3.0 2,-0.2 5,-0.4 0.907 109.1 50.8 -61.1 -43.2 20.4 0.2 17.3 16 25 A F H X>S+ 0 0 23 -4,-2.1 4,-2.5 2,-0.2 5,-2.0 0.928 111.4 48.6 -58.8 -46.3 24.1 0.1 18.1 17 26 A E H <>S+ 0 0 7 -4,-2.5 6,-2.8 3,-0.2 5,-0.6 0.920 118.1 38.9 -64.9 -44.3 24.9 2.3 15.1 18 27 A K H <5S+ 0 0 81 -4,-2.5 -2,-0.2 4,-0.2 -1,-0.2 0.950 126.1 34.9 -67.2 -48.8 22.2 4.9 15.9 19 28 A N H <5S+ 0 0 15 -4,-3.0 -3,-0.2 -5,-0.2 84,-0.2 0.901 133.7 17.3 -78.8 -43.5 22.6 4.9 19.6 20 29 A V T <5S+ 0 0 13 -4,-2.5 -3,-0.2 -5,-0.4 -4,-0.1 0.891 132.1 36.1-100.3 -52.2 26.3 4.4 20.2 21 30 A S T - 0 0 29 -6,-2.8 4,-1.7 1,-0.1 3,-0.4 -0.841 26.8-176.3-113.7 91.0 26.0 6.7 12.5 24 33 A I H > S+ 0 0 98 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.769 76.9 53.1 -66.7 -29.1 22.6 7.4 11.0 25 34 A H H > S+ 0 0 152 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.876 109.1 48.8 -76.7 -34.6 23.2 5.9 7.5 26 35 A K H > S+ 0 0 118 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.861 109.7 53.6 -68.9 -35.9 24.4 2.6 8.9 27 36 A Y H X S+ 0 0 37 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.960 112.7 43.3 -61.1 -48.6 21.3 2.5 11.2 28 37 A N H X S+ 0 0 45 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.868 112.1 53.8 -68.3 -36.4 19.1 3.0 8.2 29 38 A A H X S+ 0 0 49 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.933 110.8 46.0 -60.5 -49.3 21.0 0.5 6.1 30 39 A Y H X S+ 0 0 22 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.903 111.9 50.3 -60.5 -44.8 20.6 -2.2 8.8 31 40 A R H X S+ 0 0 64 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.895 110.7 51.6 -61.0 -40.1 16.9 -1.5 9.3 32 41 A K H X S+ 0 0 85 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.913 111.8 45.0 -62.9 -43.4 16.5 -1.7 5.5 33 42 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 22,-0.2 5,-0.2 0.886 112.3 52.0 -69.9 -37.7 18.2 -5.1 5.4 34 43 A A H X S+ 0 0 7 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.948 111.0 48.7 -62.6 -44.4 16.3 -6.4 8.4 35 44 A S H X S+ 0 0 10 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.885 110.5 48.3 -64.1 -42.2 13.0 -5.4 6.7 36 45 A V H X S+ 0 0 18 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.865 113.6 47.8 -68.5 -34.0 13.8 -7.0 3.4 37 46 A I H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.841 105.2 60.5 -73.0 -33.5 14.8 -10.2 5.0 38 47 A A H < S+ 0 0 70 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.839 108.7 42.2 -63.4 -33.7 11.7 -10.2 7.2 39 48 A K H < S+ 0 0 143 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.703 85.0 112.7 -88.8 -16.3 9.5 -10.3 4.2 40 49 A Y < - 0 0 46 -4,-0.9 4,-0.1 -3,-0.2 -37,-0.1 -0.365 64.7-142.9 -59.1 121.8 11.5 -12.9 2.3 41 50 A P S S+ 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.261 71.7 73.6 -81.7 14.0 9.3 -16.1 2.2 42 51 A H S S- 0 0 108 -39,-0.0 2,-0.8 0, 0.0 -2,-0.1 -0.950 87.3-108.7-127.1 145.0 12.1 -18.6 2.7 43 52 A K - 0 0 153 -2,-0.3 2,-0.2 1,-0.1 -40,-0.1 -0.624 48.7-119.4 -67.8 109.3 14.3 -19.7 5.7 44 53 A I - 0 0 4 -2,-0.8 -1,-0.1 1,-0.2 3,-0.1 -0.352 31.1-174.3 -61.4 120.3 17.6 -18.2 4.6 45 54 A K + 0 0 170 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.512 62.8 6.0 -93.1 -9.3 20.2 -20.9 4.2 46 55 A S > - 0 0 36 1,-0.1 4,-1.8 22,-0.0 -1,-0.2 -0.992 65.8-110.3-168.9 159.5 23.3 -18.7 3.5 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.913 116.6 56.8 -63.1 -42.5 24.8 -15.2 3.3 48 57 A A H 4 S+ 0 0 68 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.890 106.8 49.4 -57.1 -41.3 25.1 -15.5 -0.5 49 58 A E H >4 S+ 0 0 34 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.894 111.8 48.5 -64.1 -42.2 21.3 -16.2 -0.7 50 59 A A H >< S+ 0 0 0 -4,-1.8 3,-2.2 1,-0.2 -2,-0.2 0.881 101.5 64.9 -62.4 -38.5 20.6 -13.2 1.5 51 60 A K T 3< S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.644 86.2 71.4 -67.0 -14.8 22.9 -11.0 -0.6 52 61 A K T < S+ 0 0 177 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.818 83.2 89.8 -65.4 -27.2 20.5 -11.5 -3.6 53 62 A L S X S- 0 0 27 -3,-2.2 3,-2.1 -4,-0.3 2,-0.1 -0.489 92.0-104.4 -78.8 137.3 18.1 -9.2 -1.8 54 63 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 -0.348 107.2 26.8 -60.6 125.8 18.2 -5.4 -2.3 55 64 A G T 3 S+ 0 0 35 1,-0.3 2,-0.6 -4,-0.1 -22,-0.2 0.221 94.7 104.6 104.2 -14.8 19.8 -3.7 0.7 56 65 A V < + 0 0 9 -3,-2.1 -1,-0.3 -6,-0.2 2,-0.1 -0.899 50.4 177.6 -99.2 122.6 21.9 -6.7 1.8 57 66 A G > - 0 0 33 -2,-0.6 4,-2.0 -3,-0.1 5,-0.1 -0.160 46.6 -77.5-108.9-158.4 25.6 -6.2 0.9 58 67 A T H > S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.881 125.4 52.1 -73.2 -36.3 28.8 -8.1 1.4 59 68 A K H > S+ 0 0 131 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.948 113.5 41.9 -68.3 -49.0 29.2 -7.1 5.0 60 69 A I H > S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.939 112.1 55.2 -63.2 -44.8 25.7 -8.2 6.1 61 70 A A H X S+ 0 0 7 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.885 108.7 49.7 -54.3 -39.9 26.0 -11.4 4.0 62 71 A E H X S+ 0 0 122 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.900 109.7 49.5 -66.2 -41.6 29.2 -12.2 5.9 63 72 A K H X S+ 0 0 29 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.887 109.3 53.2 -65.4 -36.6 27.5 -11.5 9.3 64 73 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.867 106.5 52.4 -65.4 -37.6 24.7 -13.8 8.2 65 74 A D H X S+ 0 0 76 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.935 111.6 46.5 -63.8 -44.2 27.2 -16.5 7.4 66 75 A E H X>S+ 0 0 34 -4,-2.3 4,-2.5 1,-0.2 5,-0.6 0.957 113.6 48.5 -59.4 -49.6 28.7 -16.1 10.9 67 76 A F H X5S+ 0 0 43 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.885 111.3 49.3 -60.6 -42.1 25.2 -16.1 12.6 68 77 A L H <5S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.921 115.5 43.1 -63.1 -43.8 24.1 -19.2 10.7 69 78 A A H <5S+ 0 0 88 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.890 132.8 17.0 -71.0 -41.4 27.2 -21.2 11.5 70 79 A T H <5S- 0 0 84 -4,-2.5 -3,-0.2 2,-0.3 -2,-0.2 0.656 94.8-121.5-109.4 -25.0 27.6 -20.3 15.2 71 80 A G S <> - 0 0 2 -2,-0.3 4,-2.5 1,-0.2 3,-0.9 -0.959 12.0-152.6-127.5 112.4 27.7 -12.6 16.1 74 83 A R H 3> S+ 0 0 171 -2,-0.5 4,-2.3 1,-0.3 5,-0.3 0.904 99.3 58.5 -48.3 -44.7 31.1 -12.0 17.9 75 84 A K H 3> S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.890 110.4 41.6 -52.0 -44.1 30.7 -8.3 17.1 76 85 A L H <> S+ 0 0 2 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.846 108.4 59.4 -74.7 -35.3 27.5 -8.2 19.0 77 86 A E H X S+ 0 0 87 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.906 110.6 43.8 -57.9 -41.7 28.7 -10.4 21.9 78 87 A K H X S+ 0 0 150 -4,-2.3 4,-0.9 -5,-0.2 3,-0.4 0.918 109.8 53.8 -71.1 -46.5 31.4 -7.8 22.5 79 88 A I H >< S+ 0 0 18 -4,-1.9 3,-1.1 -5,-0.3 7,-0.3 0.932 107.7 53.6 -52.6 -44.0 29.1 -4.8 22.1 80 89 A R H 3< S+ 0 0 103 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.834 108.5 47.7 -60.7 -37.1 26.9 -6.4 24.8 81 90 A Q H 3< S+ 0 0 120 -4,-1.2 2,-0.7 -3,-0.4 -1,-0.3 0.534 87.9 101.6 -85.0 -5.7 29.7 -6.8 27.3 82 91 A D S+ 0 0 124 -2,-0.7 4,-3.1 1,-0.2 5,-0.3 0.904 91.1 50.1 -56.2 -48.2 29.7 -1.1 29.7 84 93 A T H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.939 115.0 43.3 -61.1 -45.9 29.6 2.2 27.9 85 94 A S H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.927 115.0 50.1 -64.0 -43.5 27.7 0.8 24.9 86 95 A S H X S+ 0 0 47 -4,-2.9 4,-2.2 -7,-0.3 -2,-0.2 0.930 113.1 46.1 -58.0 -48.5 25.3 -1.1 27.2 87 96 A S H X S+ 0 0 18 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.937 113.2 48.0 -62.6 -48.6 24.7 2.0 29.3 88 97 A I H X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.897 110.8 51.9 -62.1 -40.1 24.1 4.2 26.3 89 98 A N H < S+ 0 0 41 -4,-2.7 -1,-0.2 -5,-0.2 4,-0.2 0.912 111.7 48.1 -64.0 -38.2 21.8 1.7 24.8 90 99 A F H >< S+ 0 0 47 -4,-2.2 3,-2.3 -5,-0.2 4,-0.3 0.952 107.5 52.3 -67.0 -48.5 19.8 1.6 28.0 91 100 A L H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.842 101.6 62.0 -60.6 -33.5 19.4 5.3 28.6 92 101 A T T 3< S+ 0 0 27 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.576 86.1 75.6 -66.6 -8.1 18.1 5.7 25.0 93 102 A R T < S+ 0 0 122 -3,-2.3 2,-0.5 -4,-0.2 -1,-0.3 0.721 78.0 88.5 -78.4 -13.5 15.1 3.5 26.0 94 103 A V S X S- 0 0 2 -3,-1.6 3,-2.4 -4,-0.3 37,-0.1 -0.707 93.5-111.6 -82.1 123.2 13.7 6.5 27.9 95 104 A S T 3 S+ 0 0 36 -2,-0.5 35,-0.4 35,-0.3 36,-0.2 -0.284 103.9 24.2 -56.1 134.5 11.5 8.6 25.7 96 105 A G T 3 S+ 0 0 32 1,-0.2 2,-0.8 -4,-0.1 -1,-0.3 0.161 97.8 100.9 91.0 -19.5 13.3 12.0 25.1 97 106 A I < + 0 0 5 -3,-2.4 -1,-0.2 -6,-0.2 -3,-0.1 -0.891 52.3 174.0 -96.2 111.7 16.8 10.6 25.8 98 107 A G > - 0 0 27 -2,-0.8 4,-2.6 -3,-0.1 5,-0.2 -0.333 50.4 -72.1-101.2-166.3 18.4 10.1 22.4 99 108 A P H > S+ 0 0 28 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.838 129.2 46.5 -55.7 -40.8 22.0 9.1 21.5 100 109 A S H > S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.975 114.8 43.1 -69.9 -55.0 23.5 12.5 22.4 101 110 A A H > S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.885 112.3 56.3 -59.2 -37.6 21.8 12.9 25.8 102 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.961 109.2 44.6 -57.8 -52.4 22.5 9.3 26.6 103 112 A R H X S+ 0 0 81 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.891 113.1 52.4 -61.1 -40.0 26.3 9.7 26.0 104 113 A K H X S+ 0 0 122 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.936 110.1 47.6 -59.7 -48.7 26.3 13.0 28.0 105 114 A F H X>S+ 0 0 15 -4,-2.9 5,-2.7 1,-0.2 4,-0.6 0.928 110.3 51.6 -59.1 -48.3 24.5 11.3 31.0 106 115 A V H ><5S+ 0 0 13 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.874 107.7 53.6 -59.0 -36.4 26.9 8.4 30.9 107 116 A D H 3<5S+ 0 0 127 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.917 108.3 49.8 -59.1 -44.1 29.8 10.9 30.9 108 117 A E H 3<5S- 0 0 92 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.515 124.3-105.0 -75.8 -4.4 28.3 12.5 34.0 109 118 A G T <<5S+ 0 0 44 -3,-0.9 2,-0.7 -4,-0.6 -3,-0.2 0.594 81.1 130.2 87.4 11.7 28.0 9.1 35.7 110 119 A I < + 0 0 7 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.2 -0.881 19.4 131.6 -94.1 109.4 24.3 8.9 35.3 111 120 A K + 0 0 75 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 0.387 47.1 62.1-146.4 8.4 23.7 5.4 33.8 112 121 A T S > S- 0 0 56 1,-0.1 4,-2.5 -22,-0.1 5,-0.2 -0.837 82.9-107.7-130.6 169.8 21.0 3.5 35.6 113 122 A L H > S+ 0 0 43 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.929 123.2 53.2 -61.5 -42.8 17.3 3.8 36.2 114 123 A E H > S+ 0 0 149 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.938 107.8 49.0 -54.1 -52.6 18.2 4.6 39.8 115 124 A D H > S+ 0 0 20 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.936 111.2 50.2 -54.4 -49.4 20.6 7.4 38.7 116 125 A L H >< S+ 0 0 1 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.937 109.9 51.2 -54.3 -47.2 18.0 8.9 36.5 117 126 A R H >< S+ 0 0 142 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.879 111.4 45.4 -62.8 -40.8 15.5 8.8 39.3 118 127 A K H 3< S+ 0 0 152 -4,-2.4 -1,-0.3 1,-0.2 3,-0.2 0.672 114.9 50.1 -78.0 -15.3 17.7 10.6 41.8 119 128 A N T X< + 0 0 34 -4,-1.5 3,-2.0 -3,-0.6 -1,-0.2 -0.233 64.4 135.8-112.9 44.4 18.8 13.2 39.1 120 129 A E G X + 0 0 71 -3,-0.8 3,-1.9 1,-0.3 -1,-0.2 0.819 65.0 67.6 -62.8 -30.1 15.4 14.2 37.9 121 130 A D G 3 S+ 0 0 130 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.592 92.8 61.0 -66.5 -10.9 16.4 17.9 38.0 122 131 A K G < S+ 0 0 105 -3,-2.0 2,-0.3 -6,-0.2 -1,-0.3 0.448 91.0 87.4 -93.1 -1.4 18.8 17.1 35.1 123 132 A L S < S- 0 0 18 -3,-1.9 2,-0.0 -4,-0.2 -26,-0.0 -0.748 73.4-129.7 -99.8 144.6 16.0 16.1 32.7 124 133 A N > - 0 0 90 -2,-0.3 4,-2.2 -28,-0.1 5,-0.2 -0.236 43.3 -89.6 -76.5 179.0 14.0 18.2 30.4 125 134 A H H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.954 126.1 48.4 -60.8 -52.5 10.2 17.9 30.5 126 135 A H H > S+ 0 0 37 93,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 113.2 48.7 -49.0 -51.6 9.9 15.2 27.9 127 136 A Q H > S+ 0 0 16 -31,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.877 107.7 54.8 -59.0 -41.6 12.6 13.1 29.6 128 137 A R H X S+ 0 0 117 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.906 110.6 45.3 -61.4 -43.2 11.0 13.5 33.0 129 138 A I H X S+ 0 0 11 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.903 110.7 54.2 -68.9 -39.1 7.7 12.1 31.6 130 139 A G H < S+ 0 0 1 -4,-2.5 -35,-0.3 -35,-0.4 -2,-0.2 0.867 110.7 45.6 -60.5 -38.8 9.6 9.3 29.8 131 140 A L H >< S+ 0 0 9 -4,-2.3 3,-1.7 1,-0.2 4,-0.3 0.933 108.8 57.7 -67.5 -45.4 11.3 8.3 33.1 132 141 A K H 3< S+ 0 0 126 -4,-2.4 3,-0.2 1,-0.3 -2,-0.2 0.880 119.6 28.8 -48.8 -46.9 7.9 8.5 34.9 133 142 A Y T 3X S+ 0 0 21 -4,-2.1 4,-2.8 1,-0.2 -1,-0.3 0.040 80.4 131.6-109.5 26.7 6.3 6.0 32.5 134 143 A F H <> S+ 0 0 27 -3,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.880 77.5 39.7 -48.0 -52.2 9.4 4.0 31.6 135 144 A G H >> S+ 0 0 38 -4,-0.3 3,-1.5 -3,-0.2 4,-0.5 0.960 115.3 50.7 -64.2 -51.8 7.8 0.6 32.3 136 145 A D H >4 S+ 0 0 39 1,-0.3 3,-1.9 2,-0.2 -2,-0.2 0.889 103.8 58.6 -53.5 -44.6 4.4 1.4 30.8 137 146 A F H 3< S+ 0 0 42 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.704 101.8 55.3 -65.4 -17.7 5.8 2.7 27.5 138 147 A E H << S+ 0 0 101 -3,-1.5 -1,-0.3 -4,-0.6 2,-0.2 0.579 89.8 95.9 -90.8 -6.4 7.6 -0.6 26.9 139 148 A K S << S- 0 0 104 -3,-1.9 2,-0.2 -4,-0.5 -3,-0.0 -0.553 75.8-125.0 -78.8 144.0 4.3 -2.5 27.2 140 149 A R - 0 0 138 -2,-0.2 40,-0.2 104,-0.0 -2,-0.1 -0.520 18.5-124.9 -81.9 158.5 2.3 -3.3 24.0 141 150 A I E -A 179 0A 0 38,-2.7 38,-2.2 -2,-0.2 40,-0.1 -0.925 20.4-130.6-109.2 119.2 -1.3 -2.3 23.6 142 151 A P E >> -A 178 0A 53 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.379 20.7-121.4 -65.1 145.6 -3.7 -5.0 22.7 143 152 A R H 3> S+ 0 0 60 34,-2.1 4,-2.5 1,-0.3 5,-0.2 0.831 113.3 64.1 -57.5 -29.6 -5.9 -4.2 19.8 144 153 A E H 3> S+ 0 0 150 33,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.926 105.8 41.8 -64.1 -41.2 -8.9 -4.6 22.1 145 154 A E H <> S+ 0 0 28 -3,-0.7 4,-3.0 2,-0.2 -1,-0.2 0.846 110.3 58.4 -69.2 -35.2 -7.7 -1.7 24.2 146 155 A M H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.887 104.7 51.5 -59.2 -37.4 -6.9 0.2 21.0 147 156 A L H X S+ 0 0 80 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.915 110.7 46.9 -66.1 -42.8 -10.5 -0.2 20.1 148 157 A Q H X S+ 0 0 68 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.917 113.7 49.1 -62.0 -45.8 -11.6 1.2 23.5 149 158 A M H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.909 109.5 52.0 -60.0 -44.9 -9.2 4.0 23.1 150 159 A Q H X S+ 0 0 50 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.909 106.8 53.6 -58.1 -42.3 -10.4 4.7 19.6 151 160 A D H X S+ 0 0 101 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.933 111.1 45.6 -63.0 -46.0 -14.0 4.9 20.8 152 161 A I H X S+ 0 0 34 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.965 114.3 47.2 -57.8 -55.4 -13.2 7.5 23.5 153 162 A V H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.933 114.0 47.2 -57.1 -48.3 -11.1 9.6 21.1 154 163 A L H X S+ 0 0 58 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.904 114.8 45.8 -62.0 -40.3 -13.7 9.6 18.4 155 164 A N H X S+ 0 0 55 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.897 113.3 47.8 -72.2 -38.1 -16.6 10.4 20.7 156 165 A E H X S+ 0 0 19 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.849 111.5 50.6 -71.0 -34.7 -14.8 13.2 22.6 157 166 A V H X S+ 0 0 6 -4,-2.1 4,-2.1 -5,-0.3 3,-0.5 0.934 108.1 53.7 -67.8 -42.7 -13.7 14.8 19.3 158 167 A K H < S+ 0 0 128 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.892 105.4 55.3 -53.7 -38.8 -17.3 14.6 18.1 159 168 A K H < S+ 0 0 137 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.826 106.5 49.2 -68.8 -31.7 -18.3 16.5 21.3 160 169 A V H < S- 0 0 36 -4,-1.3 2,-0.2 -3,-0.5 -1,-0.2 0.902 137.9 -19.3 -71.8 -41.2 -16.0 19.3 20.5 161 170 A D >< - 0 0 41 -4,-2.1 3,-1.8 -5,-0.1 -1,-0.3 -0.785 49.6-142.3-172.0 122.5 -17.3 19.6 17.0 162 171 A S T 3 S+ 0 0 100 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.648 100.5 66.3 -64.6 -14.1 -19.2 17.2 14.7 163 172 A E T 3 S+ 0 0 107 -5,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.633 78.6 98.9 -84.6 -14.9 -17.2 18.5 11.8 164 173 A Y < - 0 0 12 -3,-1.8 2,-0.5 -7,-0.2 24,-0.2 -0.418 59.2-156.9 -63.5 145.0 -13.9 17.1 13.1 165 174 A I E -B 187 0B 78 22,-2.6 22,-2.4 -2,-0.1 2,-0.5 -0.992 7.7-170.3-124.2 125.2 -12.8 13.8 11.6 166 175 A A E -B 186 0B 12 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.966 3.5-174.5-115.2 126.9 -10.4 11.7 13.7 167 176 A T E -B 185 0B 29 18,-3.2 18,-4.1 -2,-0.5 2,-0.6 -0.982 20.4-137.0-123.1 130.0 -8.8 8.7 12.2 168 177 A V E +B 184 0B 5 -2,-0.4 16,-0.2 16,-0.2 2,-0.0 -0.742 37.8 160.1 -86.5 122.4 -6.5 6.1 14.0 169 178 A C >> + 0 0 1 14,-2.7 4,-1.1 -2,-0.6 3,-0.7 0.112 26.5 77.3-115.4-134.5 -3.6 5.3 11.8 170 179 A G H >> S- 0 0 6 93,-2.5 4,-1.0 1,-0.2 3,-0.8 -0.135 114.3 -23.7 55.9-156.6 -0.1 3.8 12.5 171 180 A S H 34>S+ 0 0 18 1,-0.2 5,-2.1 2,-0.2 3,-0.4 0.817 135.7 65.3 -55.2 -34.9 0.1 0.0 13.1 172 181 A F H X45S+ 0 0 15 -3,-0.7 3,-1.6 1,-0.2 -1,-0.2 0.923 101.3 48.1 -53.9 -44.8 -3.6 -0.0 14.2 173 182 A R H <<5S+ 0 0 64 -4,-1.1 -1,-0.2 -3,-0.8 149,-0.2 0.753 104.7 60.6 -73.6 -20.8 -4.7 1.0 10.7 174 183 A R T 3<5S- 0 0 44 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.366 122.5-106.8 -82.9 3.8 -2.5 -1.7 9.2 175 184 A G T < 5 + 0 0 37 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.524 57.9 168.9 87.8 8.7 -4.5 -4.3 11.2 176 185 A A < - 0 0 27 -5,-2.1 -1,-0.2 1,-0.1 3,-0.1 -0.213 37.4-139.9 -60.7 140.9 -1.9 -5.1 13.8 177 186 A E S S+ 0 0 146 1,-0.2 -34,-2.1 -35,-0.1 2,-0.3 0.592 90.4 24.0 -77.0 -11.8 -3.1 -7.2 16.8 178 187 A S E S-A 142 0A 39 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.2 -0.977 71.9-156.6-150.5 149.6 -1.0 -5.0 19.1 179 188 A S E -A 141 0A 0 -38,-2.2 -38,-2.7 -2,-0.3 3,-0.1 -0.912 21.9-140.5-127.0 151.8 0.4 -1.4 18.9 180 189 A G S S- 0 0 40 -2,-0.3 65,-0.4 -40,-0.2 2,-0.3 0.723 86.8 -25.5 -81.8 -24.1 3.2 0.4 20.5 181 190 A D S S- 0 0 30 63,-0.1 2,-0.5 -40,-0.1 -9,-0.2 -0.924 74.3 -84.9-163.1-170.4 1.1 3.5 20.8 182 191 A M E - c 0 246B 0 63,-1.9 65,-2.6 -2,-0.3 2,-0.5 -0.964 30.8-166.7-115.5 127.9 -1.9 5.3 19.4 183 192 A D E - c 0 247B 19 -2,-0.5 -14,-2.7 -14,-0.4 2,-0.5 -0.957 6.3-168.3-113.5 123.9 -1.7 7.6 16.4 184 193 A V E -Bc 168 248B 3 63,-2.8 65,-2.4 -2,-0.5 2,-0.5 -0.943 9.9-155.9-118.4 119.3 -4.6 9.9 15.5 185 194 A L E -Bc 167 249B 1 -18,-4.1 -18,-3.2 -2,-0.5 2,-0.4 -0.786 19.5-164.8 -88.9 131.2 -5.0 11.8 12.3 186 195 A L E +Bc 166 250B 2 63,-3.1 65,-2.4 -2,-0.5 2,-0.3 -0.952 12.1 176.0-121.8 135.9 -7.2 14.8 12.8 187 196 A T E -B 165 0B 3 -22,-2.4 -22,-2.6 -2,-0.4 5,-0.1 -0.977 6.6-176.0-130.7 155.5 -9.0 17.0 10.2 188 197 A H > - 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