==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 04-SEP-09 3JPS . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.K.BATRA,J.UPTON,B.KASHMEROV,W.A.BEARD,S.H.WILSON,M.F.GOODM . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 69.0 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 . 17 5.2 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 . 123 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 0 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 0 180 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 4.2 9.9 -15.2 12.5 2 11 A L T 3 + 0 0 90 1,-0.3 3,-0.1 36,-0.2 36,-0.1 0.861 360.0 15.5 -56.8 -36.9 11.0 -17.5 9.7 3 12 A N T 3> S+ 0 0 15 40,-0.1 4,-2.5 35,-0.1 -1,-0.3 -0.196 89.1 137.2-128.6 37.2 14.4 -15.8 9.9 4 13 A G H <> + 0 0 13 -3,-1.4 4,-2.8 1,-0.2 5,-0.3 0.847 67.3 57.5 -54.3 -41.1 13.8 -14.1 13.3 5 14 A G H > S+ 0 0 35 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.950 111.6 41.6 -56.6 -50.1 17.3 -15.0 14.5 6 15 A I H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.900 115.0 50.1 -65.1 -43.1 18.9 -13.1 11.6 7 16 A T H X S+ 0 0 21 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.892 110.2 50.3 -65.9 -38.3 16.4 -10.2 11.8 8 17 A D H X S+ 0 0 109 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.931 110.3 51.0 -63.5 -43.6 17.0 -9.7 15.5 9 18 A M H X S+ 0 0 7 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.929 112.0 46.0 -58.8 -47.0 20.7 -9.7 15.0 10 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.866 111.4 52.2 -65.3 -36.5 20.5 -7.1 12.3 11 20 A T H X S+ 0 0 62 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.889 108.3 50.6 -68.6 -36.7 18.1 -5.0 14.4 12 21 A E H X S+ 0 0 62 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.907 111.4 49.1 -66.3 -39.4 20.6 -5.1 17.3 13 22 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.909 109.7 52.2 -64.6 -41.6 23.3 -4.0 14.9 14 23 A A H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.940 109.6 48.1 -59.5 -48.8 21.1 -1.2 13.6 15 24 A N H X S+ 0 0 65 -4,-2.5 4,-3.0 1,-0.2 5,-0.4 0.869 109.7 54.0 -61.6 -35.8 20.4 0.1 17.1 16 25 A F H X>S+ 0 0 26 -4,-1.9 4,-2.4 1,-0.2 5,-1.7 0.951 110.0 45.6 -63.4 -49.1 24.1 -0.0 18.0 17 26 A E H <5S+ 0 0 8 -4,-2.4 6,-3.2 3,-0.2 5,-0.4 0.888 118.6 43.2 -61.9 -40.0 25.1 2.1 15.0 18 27 A K H <5S+ 0 0 66 -4,-2.4 -2,-0.2 4,-0.2 -1,-0.2 0.954 124.8 31.0 -70.6 -51.6 22.3 4.6 15.7 19 28 A N H <5S+ 0 0 15 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.901 134.6 20.5 -76.8 -45.9 22.7 4.9 19.5 20 29 A V T <5S+ 0 0 12 -4,-2.4 -3,-0.2 -5,-0.4 -4,-0.1 0.919 132.2 34.4 -92.0 -54.5 26.4 4.3 20.0 21 30 A S S > + 0 0 26 -6,-3.2 4,-2.2 1,-0.2 3,-0.6 -0.761 23.9 178.3-116.9 79.8 26.0 6.4 12.3 24 33 A I H 3> S+ 0 0 78 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.820 77.4 52.6 -53.6 -39.8 22.5 7.0 10.9 25 34 A H H 3> S+ 0 0 155 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.852 110.3 47.6 -69.9 -32.3 23.1 5.6 7.4 26 35 A K H <> S+ 0 0 121 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.880 109.6 55.7 -71.7 -37.6 24.6 2.4 8.8 27 36 A Y H X S+ 0 0 35 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.949 111.1 42.8 -56.9 -51.1 21.5 2.2 11.1 28 37 A N H X S+ 0 0 34 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.861 108.9 58.3 -66.2 -35.8 19.2 2.4 8.0 29 38 A A H X S+ 0 0 52 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.954 110.6 43.6 -58.2 -48.4 21.4 -0.0 6.0 30 39 A Y H X S+ 0 0 22 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.897 112.2 52.4 -64.3 -40.6 20.8 -2.6 8.8 31 40 A R H X S+ 0 0 37 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.905 109.9 49.2 -61.2 -43.8 17.1 -1.8 9.1 32 41 A K H X S+ 0 0 95 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.915 111.1 48.6 -61.9 -45.7 16.6 -2.3 5.4 33 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 22,-0.3 5,-0.2 0.947 113.0 48.5 -59.8 -47.8 18.4 -5.6 5.4 34 43 A A H X S+ 0 0 7 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.922 112.8 49.3 -57.2 -45.6 16.4 -6.7 8.3 35 44 A S H X S+ 0 0 9 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.929 110.6 47.6 -61.5 -48.6 13.2 -5.6 6.6 36 45 A V H X S+ 0 0 19 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.846 115.7 46.4 -63.3 -33.4 14.0 -7.3 3.3 37 46 A I H >< S+ 0 0 0 -4,-2.2 3,-0.6 -5,-0.2 -1,-0.2 0.869 106.1 56.5 -77.0 -38.7 14.8 -10.6 5.1 38 47 A A H 3< S+ 0 0 73 -4,-2.6 -36,-0.2 1,-0.3 -1,-0.2 0.820 109.6 49.6 -61.5 -27.9 11.8 -10.5 7.4 39 48 A K H 3< S+ 0 0 123 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.706 84.6 109.8 -82.3 -22.9 9.8 -10.4 4.1 40 49 A Y << - 0 0 45 -4,-0.6 4,-0.1 -3,-0.6 -38,-0.1 -0.380 62.7-147.9 -60.8 120.1 11.6 -13.3 2.6 41 50 A P S S+ 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.245 72.9 73.0 -75.6 13.3 9.3 -16.3 2.4 42 51 A H S S- 0 0 101 -39,-0.0 2,-0.7 0, 0.0 -2,-0.1 -0.942 87.9-110.7-129.6 151.3 12.1 -18.9 2.9 43 52 A K - 0 0 152 -2,-0.3 2,-0.1 1,-0.1 -40,-0.1 -0.719 47.8-117.7 -79.1 115.1 14.2 -19.9 5.9 44 53 A I - 0 0 6 -2,-0.7 3,-0.1 1,-0.1 -1,-0.1 -0.369 31.7-175.6 -61.5 126.9 17.6 -18.6 4.9 45 54 A K + 0 0 163 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.630 63.8 3.9 -96.6 -20.3 20.2 -21.3 4.5 46 55 A S > - 0 0 39 1,-0.1 4,-1.7 22,-0.0 -1,-0.2 -0.995 66.0-110.2-161.5 163.6 23.3 -19.1 3.8 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.860 117.1 58.5 -65.5 -34.7 24.7 -15.6 3.5 48 57 A A H > S+ 0 0 66 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.919 104.6 49.9 -61.1 -44.1 25.0 -16.1 -0.2 49 58 A E H >4 S+ 0 0 28 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.897 113.0 47.9 -60.6 -40.0 21.3 -16.8 -0.5 50 59 A A H >< S+ 0 0 0 -4,-1.7 3,-2.2 1,-0.2 6,-0.2 0.864 100.1 64.6 -69.5 -37.3 20.7 -13.6 1.5 51 60 A K H 3< S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.711 87.6 72.0 -60.8 -19.0 23.0 -11.5 -0.5 52 61 A K T << S+ 0 0 180 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.732 84.3 85.4 -68.6 -20.0 20.7 -12.0 -3.5 53 62 A L S X S- 0 0 28 -3,-2.2 3,-1.9 -4,-0.2 2,-0.2 -0.624 93.4-105.8 -85.7 139.6 18.2 -9.7 -1.7 54 63 A P T 3 S+ 0 0 100 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.449 107.6 29.8 -65.3 125.8 18.6 -5.9 -2.3 55 64 A G T 3 S+ 0 0 37 -2,-0.2 2,-0.8 1,-0.2 -22,-0.3 0.114 95.9 100.4 110.8 -20.4 20.0 -4.3 0.9 56 65 A V < + 0 0 6 -3,-1.9 -1,-0.2 -6,-0.2 2,-0.1 -0.882 52.3 170.0-102.1 107.3 22.0 -7.4 1.8 57 66 A G > - 0 0 33 -2,-0.8 4,-1.9 -3,-0.1 5,-0.1 -0.150 50.4 -73.8-100.8-161.8 25.6 -6.8 0.8 58 67 A T H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.884 125.9 52.0 -64.6 -43.1 28.9 -8.6 1.4 59 68 A K H > S+ 0 0 147 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.920 114.7 41.3 -61.3 -46.1 29.3 -7.5 5.0 60 69 A I H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.827 110.6 57.9 -73.0 -30.9 25.9 -8.6 6.1 61 70 A A H X S+ 0 0 8 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.906 107.4 48.7 -64.6 -39.7 26.2 -11.8 4.1 62 71 A E H X S+ 0 0 122 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.914 110.5 50.1 -65.7 -42.2 29.3 -12.6 6.1 63 72 A K H X S+ 0 0 31 -4,-1.7 4,-3.1 1,-0.2 -2,-0.2 0.914 108.5 52.4 -62.8 -42.6 27.5 -11.9 9.4 64 73 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.881 107.8 52.3 -61.4 -38.3 24.6 -14.2 8.4 65 74 A D H X S+ 0 0 75 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.946 111.5 46.2 -62.9 -46.1 27.1 -17.0 7.7 66 75 A E H X S+ 0 0 38 -4,-2.3 4,-2.6 1,-0.2 5,-0.4 0.948 114.2 48.3 -60.6 -48.1 28.6 -16.5 11.1 67 76 A F H X S+ 0 0 41 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.889 111.9 48.4 -60.3 -42.2 25.2 -16.4 12.8 68 77 A L H < S+ 0 0 71 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.882 114.8 46.3 -66.5 -37.6 23.9 -19.5 10.9 69 78 A A H < S+ 0 0 86 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.889 131.3 16.1 -72.9 -40.8 27.1 -21.5 11.8 70 79 A T H < S- 0 0 84 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.606 93.7-120.1-111.3 -15.7 27.3 -20.6 15.5 71 80 A G S < S+ 0 0 50 -4,-2.5 2,-0.3 -5,-0.4 -4,-0.2 0.596 87.4 53.2 85.2 9.6 23.9 -19.1 16.5 72 81 A K S S- 0 0 81 -6,-0.4 2,-0.4 -5,-0.1 -2,-0.3 -0.945 76.7-116.2-160.4 178.6 25.5 -15.8 17.5 73 82 A L > - 0 0 4 -2,-0.3 4,-2.7 1,-0.1 3,-0.3 -0.973 8.7-152.7-133.0 118.1 27.7 -13.0 16.4 74 83 A R H > S+ 0 0 156 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.872 97.0 59.5 -54.5 -41.5 31.0 -12.2 18.1 75 84 A K H > S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.931 111.4 39.9 -54.4 -48.7 30.8 -8.5 17.1 76 85 A L H > S+ 0 0 4 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.924 109.6 60.2 -67.1 -44.3 27.5 -8.2 19.1 77 86 A E H X S+ 0 0 73 -4,-2.7 4,-1.2 1,-0.3 -2,-0.2 0.899 108.7 44.9 -49.4 -44.4 28.8 -10.4 21.9 78 87 A K H X S+ 0 0 164 -4,-2.5 4,-0.8 2,-0.2 -1,-0.3 0.873 110.3 54.0 -69.1 -38.0 31.6 -7.8 22.5 79 88 A I H >< S+ 0 0 19 -4,-1.6 3,-0.8 -5,-0.2 7,-0.3 0.908 106.1 52.8 -62.9 -41.9 29.2 -4.9 22.2 80 89 A R H 3< S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.842 108.2 50.9 -62.4 -34.8 26.9 -6.4 24.9 81 90 A Q H 3< S+ 0 0 150 -4,-1.2 2,-0.7 -5,-0.3 -1,-0.2 0.633 86.9 99.3 -79.1 -13.4 29.9 -6.7 27.3 82 91 A D S+ 0 0 125 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.910 90.1 48.1 -59.2 -46.3 29.6 -1.1 29.7 84 93 A T H > S+ 0 0 63 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.943 113.6 46.0 -62.7 -48.7 29.6 2.2 27.9 85 94 A S H > S+ 0 0 12 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.931 114.9 48.6 -59.3 -45.5 27.8 0.9 24.8 86 95 A S H X S+ 0 0 44 -4,-2.6 4,-2.5 -7,-0.3 -1,-0.2 0.907 111.6 48.7 -61.6 -43.8 25.3 -0.9 26.9 87 96 A S H X S+ 0 0 22 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.933 112.7 47.4 -63.2 -46.4 24.6 2.1 29.1 88 97 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.930 111.9 50.8 -61.4 -45.6 24.2 4.4 26.1 89 98 A N H < S+ 0 0 39 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 0.935 111.1 49.7 -58.0 -46.1 21.9 1.9 24.4 90 99 A F H >< S+ 0 0 49 -4,-2.5 3,-2.2 1,-0.2 4,-0.2 0.953 108.0 50.2 -57.7 -55.9 19.8 1.6 27.6 91 100 A L H >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.3 6,-0.2 0.842 99.9 64.9 -53.8 -38.2 19.3 5.3 28.2 92 101 A T T 3< S+ 0 0 25 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.612 86.6 74.4 -63.2 -9.7 18.1 5.9 24.6 93 102 A R T < S+ 0 0 122 -3,-2.2 2,-0.5 -4,-0.3 -1,-0.3 0.664 77.1 89.0 -76.5 -15.4 15.2 3.7 25.5 94 103 A V S X S- 0 0 1 -3,-2.4 3,-2.4 -4,-0.2 37,-0.1 -0.731 92.9-114.0 -83.2 123.8 13.8 6.6 27.5 95 104 A S T 3 S+ 0 0 35 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.366 104.4 28.7 -58.7 130.0 11.6 8.8 25.2 96 105 A G T 3 S+ 0 0 33 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.091 98.1 99.0 105.2 -24.1 13.3 12.1 24.9 97 106 A I < + 0 0 6 -3,-2.4 -1,-0.2 -6,-0.2 -3,-0.1 -0.874 51.9 175.6-101.2 111.6 16.8 10.8 25.4 98 107 A G > - 0 0 28 -2,-0.7 4,-2.8 -3,-0.1 5,-0.2 -0.305 49.7 -74.9-101.9-170.2 18.6 10.2 22.1 99 108 A P H > S+ 0 0 23 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.852 130.0 45.8 -53.4 -40.7 22.2 9.2 21.1 100 109 A S H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.967 115.2 43.9 -70.4 -52.8 23.7 12.5 22.1 101 110 A A H > S+ 0 0 25 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.880 113.0 54.2 -59.2 -39.4 21.9 13.0 25.4 102 111 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.936 109.7 45.4 -61.9 -48.0 22.6 9.3 26.3 103 112 A R H X S+ 0 0 81 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.901 113.8 50.7 -63.3 -40.8 26.4 9.7 25.7 104 113 A K H X S+ 0 0 119 -4,-2.4 4,-1.9 2,-0.2 3,-0.3 0.967 109.7 48.6 -62.3 -52.3 26.4 13.0 27.6 105 114 A F H <>S+ 0 0 12 -4,-3.0 5,-2.8 1,-0.3 -1,-0.2 0.912 109.4 53.9 -54.0 -43.5 24.6 11.5 30.6 106 115 A V H ><5S+ 0 0 11 -4,-2.3 3,-1.5 1,-0.2 -1,-0.3 0.891 105.9 52.8 -58.9 -39.3 27.0 8.6 30.6 107 116 A D H 3<5S+ 0 0 126 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.875 107.0 52.5 -63.1 -36.9 29.9 11.0 30.8 108 117 A E T 3<5S- 0 0 86 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.344 124.8-105.9 -80.6 6.4 28.3 12.7 33.8 109 118 A G T < 5S+ 0 0 42 -3,-1.5 2,-0.9 1,-0.2 -3,-0.2 0.599 79.9 132.8 80.6 11.0 28.1 9.2 35.4 110 119 A I < + 0 0 6 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.846 17.0 138.9 -96.9 104.0 24.3 8.9 34.9 111 120 A K + 0 0 83 -2,-0.9 2,-0.3 -3,-0.1 -1,-0.2 0.452 48.3 53.8-127.5 -2.8 24.0 5.4 33.5 112 121 A T S > S- 0 0 62 1,-0.1 4,-2.7 -22,-0.1 5,-0.2 -0.848 81.7-106.6-133.6 170.7 21.0 3.6 35.1 113 122 A L H > S+ 0 0 41 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.907 122.7 53.2 -59.2 -41.9 17.3 4.0 35.8 114 123 A E H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 109.2 49.1 -60.3 -41.7 18.2 4.7 39.4 115 124 A D H 4 S+ 0 0 25 2,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.936 109.2 51.3 -63.4 -48.4 20.6 7.4 38.3 116 125 A L H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.936 109.2 51.7 -54.1 -49.3 18.0 9.1 36.0 117 126 A R H >< S+ 0 0 144 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.888 110.0 46.9 -56.7 -44.3 15.5 9.1 38.9 118 127 A K T 3< S+ 0 0 144 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.355 117.4 46.2 -81.6 7.7 17.8 10.8 41.3 119 128 A N T X + 0 0 28 -3,-1.7 3,-3.0 -4,-0.3 -1,-0.2 0.060 63.1 131.0-135.2 24.5 18.8 13.3 38.6 120 129 A E G X + 0 0 72 -3,-1.0 3,-1.4 1,-0.3 -2,-0.1 0.706 65.7 75.3 -52.4 -18.7 15.4 14.3 37.2 121 130 A D G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -4,-0.1 -4,-0.1 0.723 91.7 52.4 -67.3 -21.8 16.7 17.9 37.6 122 131 A K G < S+ 0 0 88 -3,-3.0 2,-0.3 -6,-0.2 -1,-0.3 0.326 93.8 93.1 -97.3 8.2 18.9 17.4 34.6 123 132 A L S < S- 0 0 20 -3,-1.4 2,-0.1 -4,-0.2 -26,-0.0 -0.742 70.5-129.9-102.8 148.5 16.1 16.3 32.3 124 133 A N > - 0 0 83 -2,-0.3 4,-2.2 -28,-0.1 5,-0.2 -0.310 42.1 -90.0 -83.0 177.8 14.0 18.4 29.9 125 134 A H H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.941 125.6 47.5 -55.4 -52.6 10.2 18.0 30.0 126 135 A H H > S+ 0 0 39 1,-0.2 4,-2.3 93,-0.2 3,-0.3 0.944 112.8 49.1 -55.2 -51.0 9.9 15.3 27.4 127 136 A Q H > S+ 0 0 14 -31,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.862 107.4 56.3 -57.6 -37.9 12.7 13.2 29.0 128 137 A R H X S+ 0 0 132 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.888 109.9 43.9 -63.0 -40.6 11.1 13.6 32.4 129 138 A I H X S+ 0 0 11 -4,-1.9 4,-2.0 -3,-0.3 -1,-0.2 0.858 110.5 56.1 -73.7 -34.6 7.8 12.1 31.2 130 139 A G H < S+ 0 0 1 -4,-2.3 -35,-0.3 -35,-0.4 -2,-0.2 0.894 110.3 45.2 -62.8 -37.8 9.6 9.4 29.3 131 140 A L H >< S+ 0 0 7 -4,-2.1 3,-1.5 -5,-0.2 4,-0.3 0.912 108.5 57.2 -70.6 -42.0 11.3 8.4 32.6 132 141 A K H 3< S+ 0 0 129 -4,-2.0 3,-0.2 1,-0.3 -2,-0.2 0.869 120.3 28.8 -55.8 -41.0 8.0 8.5 34.5 133 142 A Y T 3X S+ 0 0 18 -4,-2.0 4,-2.9 1,-0.2 -1,-0.3 -0.037 81.1 129.2-111.9 29.0 6.4 6.0 32.1 134 143 A F T <4 S+ 0 0 24 -3,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.915 78.8 40.4 -49.3 -52.2 9.5 4.1 31.2 135 144 A G T >> S+ 0 0 34 -4,-0.3 3,-1.6 -3,-0.2 4,-0.7 0.950 114.8 50.0 -64.3 -51.7 8.0 0.8 32.0 136 145 A D G >4 S+ 0 0 40 1,-0.3 3,-1.7 2,-0.2 -2,-0.2 0.910 105.3 57.5 -55.1 -44.2 4.5 1.4 30.6 137 146 A F G 3< S+ 0 0 43 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.647 99.4 61.0 -64.4 -12.4 6.0 2.7 27.3 138 147 A E G <4 S+ 0 0 97 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.698 89.0 92.4 -83.2 -23.6 7.7 -0.7 26.9 139 148 A K S << S- 0 0 100 -3,-1.7 2,-0.1 -4,-0.7 -3,-0.0 -0.419 74.5-127.2 -76.5 148.2 4.4 -2.5 26.8 140 149 A R - 0 0 141 -2,-0.1 40,-0.2 104,-0.0 -1,-0.1 -0.430 19.0-123.5 -85.7 166.3 2.4 -3.3 23.7 141 150 A I E -A 179 0A 0 38,-2.6 38,-2.2 -2,-0.1 40,-0.1 -0.950 20.0-131.6-116.6 115.4 -1.2 -2.4 23.2 142 151 A P E >> -A 178 0A 58 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.347 22.6-120.0 -61.4 145.8 -3.6 -5.2 22.4 143 152 A R H 3> S+ 0 0 56 34,-2.4 4,-2.2 1,-0.3 5,-0.2 0.845 113.9 63.5 -56.6 -31.7 -5.9 -4.3 19.4 144 153 A E H 3> S+ 0 0 130 33,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.897 105.3 44.0 -59.8 -40.7 -8.8 -4.7 21.7 145 154 A E H <> S+ 0 0 30 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.846 108.5 58.0 -71.9 -34.0 -7.6 -1.8 23.8 146 155 A M H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.880 103.8 53.5 -62.7 -35.7 -6.8 0.2 20.7 147 156 A L H X S+ 0 0 64 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.908 109.3 47.5 -64.5 -42.7 -10.5 -0.2 19.7 148 157 A Q H X S+ 0 0 77 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.879 112.9 49.3 -65.2 -38.9 -11.5 1.2 23.1 149 158 A M H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.911 111.1 49.3 -66.9 -41.2 -9.1 4.1 22.7 150 159 A Q H X S+ 0 0 50 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.916 108.7 53.7 -62.1 -43.9 -10.4 4.8 19.2 151 160 A D H X S+ 0 0 97 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.920 111.8 44.6 -56.5 -48.1 -13.9 4.8 20.5 152 161 A I H X S+ 0 0 37 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.953 114.3 48.3 -62.9 -51.9 -13.0 7.4 23.1 153 162 A V H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.915 113.8 44.7 -57.6 -49.3 -11.0 9.6 20.8 154 163 A L H X S+ 0 0 60 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.937 115.5 47.1 -64.2 -45.5 -13.6 9.7 18.0 155 164 A N H X S+ 0 0 64 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.888 113.5 47.7 -64.2 -37.7 -16.5 10.4 20.3 156 165 A E H X S+ 0 0 20 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.887 112.5 49.0 -71.1 -37.4 -14.7 13.1 22.2 157 166 A V H >X S+ 0 0 4 -4,-2.2 4,-2.2 -5,-0.3 3,-0.5 0.917 108.7 54.4 -66.0 -41.3 -13.6 14.8 19.1 158 167 A K H 3< S+ 0 0 131 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.911 104.2 55.1 -58.5 -42.4 -17.2 14.6 17.8 159 168 A K H 3< S+ 0 0 140 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.817 108.1 49.4 -60.9 -32.1 -18.4 16.3 21.0 160 169 A V H << S- 0 0 39 -4,-1.2 2,-0.3 -3,-0.5 -2,-0.2 0.954 137.2 -14.3 -72.3 -52.4 -16.0 19.2 20.3 161 170 A D >< - 0 0 36 -4,-2.2 3,-2.3 -5,-0.1 -1,-0.3 -0.863 54.0-145.4-156.8 117.7 -17.0 19.7 16.6 162 171 A S T 3 S+ 0 0 98 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.683 98.8 66.5 -55.5 -20.1 -19.1 17.3 14.6 163 172 A E T 3 S+ 0 0 104 -5,-0.1 -1,-0.3 -6,-0.1 2,-0.1 0.540 77.4 102.4 -82.5 -7.7 -17.0 18.4 11.5 164 173 A Y < - 0 0 13 -3,-2.3 2,-0.4 -7,-0.2 24,-0.2 -0.442 56.1-159.2 -72.2 149.3 -13.8 16.9 12.9 165 174 A I E -B 187 0B 75 22,-2.0 22,-1.5 -2,-0.1 2,-0.5 -0.965 6.7-170.2-132.7 115.5 -12.6 13.6 11.4 166 175 A A E -B 186 0B 12 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.924 2.8-172.5-108.8 131.2 -10.2 11.6 13.4 167 176 A T E -B 185 0B 28 18,-2.8 18,-3.4 -2,-0.5 2,-0.5 -0.986 19.5-136.7-126.1 125.4 -8.5 8.5 11.8 168 177 A V E +B 184 0B 5 -2,-0.4 16,-0.2 16,-0.2 2,-0.0 -0.698 36.2 164.6 -82.8 124.2 -6.3 6.0 13.7 169 178 A C >> + 0 0 1 14,-2.9 4,-1.1 -2,-0.5 3,-0.8 0.122 28.3 77.7-111.7-135.9 -3.3 5.2 11.6 170 179 A G H >> S- 0 0 5 93,-2.7 4,-1.1 1,-0.2 3,-0.6 -0.162 114.6 -27.9 59.5-157.9 0.0 3.6 12.4 171 180 A S H 34>S+ 0 0 20 1,-0.2 5,-2.6 2,-0.2 -1,-0.2 0.744 134.8 69.2 -62.8 -23.2 0.1 -0.2 12.7 172 181 A F H X45S+ 0 0 14 -3,-0.8 3,-1.6 1,-0.2 -1,-0.2 0.946 101.6 43.7 -60.1 -48.0 -3.6 -0.1 13.8 173 182 A R H <<5S+ 0 0 69 -4,-1.1 -1,-0.2 -3,-0.6 149,-0.2 0.776 107.5 60.9 -67.8 -25.5 -4.7 0.9 10.3 174 183 A R T 3<5S- 0 0 45 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.400 122.0-111.1 -81.1 4.5 -2.3 -1.7 8.9 175 184 A G T < 5 + 0 0 40 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.620 55.2 169.2 78.7 15.4 -4.4 -4.2 10.8 176 185 A A < - 0 0 28 -5,-2.6 -1,-0.2 1,-0.1 3,-0.1 -0.250 39.1-135.5 -60.5 146.5 -1.8 -5.2 13.5 177 186 A E S S+ 0 0 150 1,-0.1 -34,-2.4 -35,-0.1 2,-0.3 0.560 91.4 17.1 -79.1 -8.2 -3.1 -7.3 16.4 178 187 A S E S-A 142 0A 36 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.972 71.4-157.0-157.5 154.7 -1.2 -5.1 18.7 179 188 A S E -A 141 0A 0 -38,-2.2 -38,-2.6 -2,-0.3 3,-0.1 -0.947 23.0-135.9-136.7 155.4 0.5 -1.6 18.5 180 189 A G S S- 0 0 40 -2,-0.3 65,-0.4 -40,-0.2 2,-0.3 0.675 86.7 -19.9 -82.9 -18.3 3.2 0.2 20.3 181 190 A D S S- 0 0 36 63,-0.1 2,-0.5 -40,-0.1 65,-0.2 -0.933 74.5 -87.6-167.9-176.0 1.2 3.5 20.6 182 191 A M E - c 0 246B 0 63,-2.2 65,-2.4 -2,-0.3 2,-0.5 -0.959 29.5-166.6-117.7 127.0 -1.8 5.3 19.1 183 192 A D E - c 0 247B 20 -2,-0.5 -14,-2.9 -14,-0.3 2,-0.5 -0.953 7.2-168.9-114.4 121.1 -1.4 7.6 16.0 184 193 A V E -Bc 168 248B 2 63,-2.8 65,-2.6 -2,-0.5 2,-0.5 -0.942 9.6-158.2-117.4 119.8 -4.4 9.9 15.2 185 194 A L E -Bc 167 249B 0 -18,-3.4 -18,-2.8 -2,-0.5 2,-0.4 -0.802 19.2-165.5 -92.1 133.1 -4.7 11.8 12.0 186 195 A L E +Bc 166 250B 1 63,-3.1 65,-2.7 -2,-0.5 2,-0.3 -0.954 12.8 174.7-125.8 141.1 -7.0 14.8 12.4 187 196 A T E -B 165 0B 2 -22,-1.5 -22,-2.0 -2,-0.4 5,-0.1 -0.959 6.7-176.8-138.3 156.7 -8.8 17.1 9.9 188 197 A H > - 0 0 1 3,-0.4 3,-1.8 63,-0.4 65,-0.6 -0.969 33.5-124.6-150.4 138.9 -11.3 19.9 10.1 189 198 A P T 3 S+ 0 0 54 0, 0.0 65,-0.1 0, 0.0 8,-0.1 0.784 107.0 64.9 -58.5 -27.0 -12.9 21.8 7.2 190 199 A S T 3 S+ 0 0 13 1,-0.2 7,-3.0 6,-0.1 2,-0.6 0.628 96.1 65.7 -71.7 -11.9 -11.8 25.2 8.5 191 200 A F B < +F 196 0C 26 -3,-1.8 62,-2.6 5,-0.2 -3,-0.4 -0.889 63.7 141.0-119.4 104.7 -8.1 24.2 8.0 192 201 A T - 0 0 35 3,-2.5 3,-0.2 -2,-0.6 -2,-0.0 -0.733 67.3 -96.2-128.1 177.4 -6.9 23.6 4.5 193 202 A S S S+ 0 0 69 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.629 124.8 57.1 -70.9 -11.0 -3.7 24.4 2.5 194 203 A E S S- 0 0 161 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.817 121.6 -20.8 -88.7 -35.6 -5.6 27.5 1.4 195 204 A S - 0 0 46 -3,-0.2 -3,-2.5 0, 0.0 2,-0.7 -0.986 44.6-125.8-170.1 160.3 -6.4 29.0 4.8 196 205 A T B +F 191 0C 93 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.899 29.6 173.8-115.0 95.8 -6.8 28.5 8.6 197 206 A K + 0 0 165 -7,-3.0 -6,-0.1 -2,-0.7 -1,-0.1 0.576 66.0 41.1 -80.9 -11.9 -10.3 29.8 9.3 198 207 A Q S > S- 0 0 80 -8,-0.4 3,-0.5 0, 0.0 -1,-0.1 -0.988 74.6-141.3-141.6 130.1 -10.3 28.8 13.0 199 208 A P T 3 S+ 0 0 98 0, 0.0 -2,-0.0 0, 0.0 -8,-0.0 -0.337 79.8 26.0 -83.7 168.2 -7.5 28.9 15.6 200 209 A K T 3> + 0 0 143 1,-0.1 4,-2.8 3,-0.1 5,-0.2 0.744 69.6 148.7 52.1 29.9 -6.8 26.3 18.3 201 210 A L H <> S+ 0 0 6 -3,-0.5 4,-0.9 1,-0.2 -1,-0.1 0.918 79.1 34.8 -58.4 -44.1 -8.3 23.5 16.2 202 211 A L H > S+ 0 0 2 21,-0.4 4,-2.5 2,-0.2 3,-0.2 0.899 114.7 58.6 -75.5 -42.6 -5.8 21.0 17.7 203 212 A H H > S+ 0 0 64 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.909 101.1 55.1 -52.4 -48.7 -5.8 22.7 21.1 204 213 A Q H X S+ 0 0 82 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.894 110.8 45.3 -53.2 -45.8 -9.6 22.3 21.5 205 214 A V H X S+ 0 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T 3 S- 0 0 160 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.242 119.8 -0.2 -55.1 137.9 -14.1 -0.2 40.1 237 246 A D T 3 S+ 0 0 179 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.286 103.5 123.6 65.6 -9.4 -11.5 -2.2 42.0 238 247 A E S < S- 0 0 76 -3,-1.6 -1,-0.2 1,-0.1 -4,-0.1 -0.601 71.5-103.3 -90.1 146.2 -9.6 -3.1 38.9 239 248 A K - 0 0 201 -2,-0.3 -4,-0.2 1,-0.1 -1,-0.1 -0.342 46.8-111.7 -58.2 135.3 -5.9 -2.4 38.2 240 249 A E - 0 0 119 1,-0.1 -1,-0.1 -6,-0.1 3,-0.1 -0.349 31.6-100.5 -75.7 155.6 -5.6 0.5 36.0 241 250 A Y - 0 0 55 -9,-0.5 -1,-0.1 1,-0.1 -7,-0.1 -0.241 42.9 -94.1 -67.8 160.4 -4.3 0.3 32.4 242 251 A P - 0 0 29 0, 0.0 -10,-0.4 0, 0.0 2,-0.2 -0.394 45.3-103.1 -71.8 152.5 -0.7 1.2 31.5 243 252 A H - 0 0 23 -12,-0.1 2,-0.3 -3,-0.1 -12,-0.2 -0.548 42.9-151.0 -76.0 147.5 -0.2 4.7 30.2 244 253 A R E - E 0 230B 12 -14,-3.5 -14,-2.7 -2,-0.2 2,-0.3 -0.895 14.8-113.2-126.2 152.0 0.2 4.9 26.5 245 254 A R E - E 0 229B 33 -65,-0.4 -63,-2.2 -2,-0.3 2,-0.4 -0.607 36.2-174.5 -78.9 135.9 2.0 7.1 23.9 246 255 A I E 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