==== 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 3JPQ . 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) . 17493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 68.7 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 . 124 38.0 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 1 1 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 0 179 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 2.4 9.9 -15.2 12.6 2 11 A L T 3 + 0 0 88 1,-0.3 3,-0.1 36,-0.2 42,-0.1 0.852 360.0 16.4 -56.2 -35.1 10.9 -17.5 9.8 3 12 A N T 3> S+ 0 0 15 40,-0.1 4,-2.5 35,-0.1 3,-0.4 -0.201 88.2 140.6-129.7 38.4 14.3 -15.8 10.0 4 13 A G H <> + 0 0 15 -3,-1.6 4,-2.5 1,-0.2 5,-0.2 0.826 67.0 56.4 -51.5 -41.2 13.9 -14.3 13.4 5 14 A G H > S+ 0 0 34 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.926 111.5 42.6 -60.3 -45.7 17.4 -14.9 14.5 6 15 A I H > S+ 0 0 6 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.924 115.5 47.2 -68.5 -46.9 18.9 -13.0 11.6 7 16 A T H X S+ 0 0 21 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.891 111.4 51.8 -64.6 -36.5 16.5 -10.1 11.7 8 17 A D H X S+ 0 0 113 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.925 110.8 49.5 -63.2 -42.3 16.9 -9.8 15.5 9 18 A M H X S+ 0 0 7 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.929 112.0 46.7 -61.2 -46.7 20.7 -9.7 14.9 10 19 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.870 110.9 52.0 -66.2 -36.0 20.5 -7.0 12.2 11 20 A T H X S+ 0 0 61 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.902 108.2 51.4 -67.4 -39.5 18.1 -4.9 14.3 12 21 A E H X S+ 0 0 65 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.899 111.7 47.4 -63.3 -39.3 20.5 -5.0 17.3 13 22 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.878 109.8 53.7 -68.3 -37.8 23.3 -3.9 14.9 14 23 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.954 109.9 46.9 -60.7 -48.9 21.0 -1.2 13.6 15 24 A N H X S+ 0 0 67 -4,-2.7 4,-3.1 1,-0.2 5,-0.5 0.880 109.5 54.4 -61.8 -38.7 20.4 0.1 17.1 16 25 A F H X>S+ 0 0 24 -4,-2.1 4,-2.5 1,-0.2 5,-1.7 0.948 110.4 45.2 -59.8 -49.9 24.1 0.0 17.9 17 26 A E H <>S+ 0 0 7 -4,-2.3 6,-2.8 3,-0.2 5,-0.9 0.882 118.6 43.7 -61.9 -39.5 25.0 2.2 14.9 18 27 A K H <5S+ 0 0 68 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.958 124.6 30.4 -71.2 -52.3 22.2 4.6 15.6 19 28 A N H <5S+ 0 0 17 -4,-3.1 -3,-0.2 -5,-0.2 84,-0.2 0.863 135.4 20.5 -78.3 -39.3 22.6 5.0 19.4 20 29 A V T <5S+ 0 0 12 -4,-2.5 -3,-0.2 -5,-0.5 -4,-0.1 0.907 130.8 34.9 -96.4 -57.8 26.3 4.4 19.9 21 30 A S T > + 0 0 28 -6,-2.8 4,-2.1 1,-0.1 3,-0.8 -0.762 24.9 179.0-116.8 79.5 26.0 6.5 12.1 24 33 A I H 3> S+ 0 0 81 -2,-0.6 4,-2.3 1,-0.3 -1,-0.1 0.807 77.9 54.6 -53.5 -36.0 22.4 7.0 10.8 25 34 A H H 3> S+ 0 0 155 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.853 109.3 46.6 -71.0 -32.3 23.2 5.7 7.4 26 35 A K H <> S+ 0 0 119 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.851 108.8 57.2 -73.8 -35.1 24.5 2.4 8.7 27 36 A Y H X S+ 0 0 31 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.960 110.5 43.1 -57.8 -51.8 21.5 2.3 11.0 28 37 A N H X S+ 0 0 36 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.829 108.8 57.6 -65.5 -33.1 19.2 2.4 7.9 29 38 A A H X S+ 0 0 52 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.951 111.4 43.4 -62.1 -46.5 21.4 -0.1 6.0 30 39 A Y H X S+ 0 0 23 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.916 113.5 50.4 -64.9 -43.0 20.8 -2.6 8.8 31 40 A R H X S+ 0 0 41 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.890 111.0 49.5 -62.1 -39.7 17.1 -1.8 9.1 32 41 A K H X S+ 0 0 101 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.921 110.4 50.1 -65.3 -44.0 16.6 -2.2 5.3 33 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 22,-0.3 5,-0.2 0.943 112.5 46.8 -59.4 -47.6 18.4 -5.5 5.4 34 43 A A H X S+ 0 0 7 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.912 111.6 52.9 -60.4 -43.4 16.3 -6.8 8.3 35 44 A S H X S+ 0 0 10 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.958 111.2 43.1 -58.0 -55.4 13.1 -5.5 6.5 36 45 A V H X S+ 0 0 19 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.840 116.3 49.6 -63.3 -32.4 13.7 -7.3 3.2 37 46 A I H < S+ 0 0 0 -4,-2.1 3,-0.3 -5,-0.3 -1,-0.2 0.876 105.5 55.5 -74.0 -36.2 14.8 -10.4 5.1 38 47 A A H < S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.2 -36,-0.2 0.808 109.7 49.1 -64.5 -26.9 11.7 -10.4 7.3 39 48 A K H < S+ 0 0 125 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.721 84.3 109.2 -83.4 -25.2 9.7 -10.4 4.1 40 49 A Y < - 0 0 45 -4,-0.9 4,-0.1 -3,-0.3 -38,-0.1 -0.338 62.6-148.1 -57.4 122.2 11.6 -13.3 2.5 41 50 A P S S+ 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.271 71.4 75.0 -79.5 13.0 9.3 -16.4 2.4 42 51 A H S S- 0 0 108 -39,-0.0 2,-0.7 0, 0.0 -2,-0.0 -0.945 87.0-111.2-126.8 148.0 12.1 -18.9 2.8 43 52 A K - 0 0 153 -2,-0.3 -40,-0.1 1,-0.1 2,-0.1 -0.667 47.4-117.6 -75.6 115.5 14.2 -20.0 5.8 44 53 A I - 0 0 7 -2,-0.7 3,-0.1 1,-0.1 -1,-0.1 -0.318 32.3-177.0 -61.1 132.1 17.6 -18.6 4.9 45 54 A K + 0 0 179 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.594 63.1 3.7-104.0 -17.4 20.3 -21.3 4.4 46 55 A S > - 0 0 38 1,-0.1 4,-1.9 22,-0.0 -1,-0.2 -0.993 65.4-109.8-163.0 165.2 23.4 -19.1 3.7 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.838 117.8 59.4 -68.3 -32.2 24.8 -15.6 3.4 48 57 A A H > S+ 0 0 64 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.934 105.3 48.1 -60.4 -46.7 25.0 -16.2 -0.3 49 58 A E H >4 S+ 0 0 33 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.924 113.8 47.1 -59.9 -45.5 21.3 -16.7 -0.5 50 59 A A H >< S+ 0 0 0 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.834 101.6 65.1 -66.2 -33.2 20.6 -13.6 1.6 51 60 A K H 3< S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.682 87.6 70.7 -65.2 -16.4 23.0 -11.6 -0.6 52 61 A K T << S+ 0 0 175 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.760 84.8 86.5 -70.7 -22.6 20.7 -12.1 -3.5 53 62 A L S X S- 0 0 28 -3,-1.8 3,-1.7 -4,-0.3 2,-0.4 -0.545 91.6-107.3 -81.6 143.2 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 -0.530 106.9 32.4 -70.8 123.7 18.5 -5.9 -2.2 55 64 A G T 3 S+ 0 0 36 -2,-0.4 2,-0.6 1,-0.2 -22,-0.3 0.174 96.6 99.1 114.6 -15.4 19.9 -4.3 0.8 56 65 A V < + 0 0 8 -3,-1.7 -1,-0.2 -6,-0.2 2,-0.1 -0.927 51.2 170.7-107.5 115.3 22.0 -7.2 1.8 57 66 A G > - 0 0 34 -2,-0.6 4,-1.7 -3,-0.1 5,-0.1 -0.143 51.1 -71.9-105.9-157.3 25.7 -6.8 0.8 58 67 A T H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.908 126.4 50.9 -66.9 -43.9 29.0 -8.6 1.3 59 68 A K H > S+ 0 0 145 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.929 113.7 41.7 -61.4 -51.2 29.3 -7.5 5.0 60 69 A I H > S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.876 112.0 57.2 -66.6 -35.8 25.8 -8.6 6.1 61 70 A A H X S+ 0 0 7 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.934 106.7 48.5 -59.7 -45.5 26.2 -11.8 4.1 62 71 A E H X S+ 0 0 115 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.881 111.5 50.6 -62.3 -36.9 29.3 -12.6 6.0 63 72 A K H X S+ 0 0 32 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.909 107.2 52.7 -67.5 -41.7 27.5 -11.9 9.3 64 73 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.877 108.0 52.4 -62.5 -36.1 24.6 -14.1 8.3 65 74 A D H X S+ 0 0 75 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.924 110.2 47.3 -65.7 -42.7 27.1 -16.9 7.7 66 75 A E H X S+ 0 0 36 -4,-1.9 4,-2.2 1,-0.2 6,-0.5 0.918 113.6 48.7 -64.0 -42.0 28.7 -16.5 11.1 67 76 A F H X S+ 0 0 43 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.919 112.7 46.7 -63.7 -45.0 25.2 -16.4 12.7 68 77 A L H < S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.878 116.2 46.3 -64.0 -37.7 24.0 -19.5 10.9 69 78 A A H < S+ 0 0 85 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.800 132.6 14.3 -76.1 -30.9 27.3 -21.3 11.7 70 79 A T H < S- 0 0 79 -4,-2.2 -3,-0.2 2,-0.3 -2,-0.2 0.563 92.8-119.5-122.3 -14.0 27.4 -20.4 15.4 71 80 A G S < S+ 0 0 49 -4,-3.0 2,-0.3 -5,-0.4 -4,-0.2 0.567 88.8 54.7 83.0 7.8 24.0 -19.0 16.4 72 81 A K S S- 0 0 84 -6,-0.5 2,-0.4 -5,-0.1 -2,-0.3 -0.949 76.2-118.1-158.7 176.5 25.6 -15.7 17.3 73 82 A L > - 0 0 4 -2,-0.3 4,-2.1 1,-0.1 3,-0.4 -0.993 10.4-150.9-129.9 123.8 27.8 -12.8 16.2 74 83 A R H > S+ 0 0 163 -2,-0.4 4,-2.3 1,-0.2 5,-0.3 0.883 97.4 60.1 -59.7 -41.1 31.1 -12.0 17.9 75 84 A K H > S+ 0 0 88 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.892 110.7 42.2 -55.3 -40.1 30.8 -8.3 17.0 76 85 A L H > S+ 0 0 2 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.866 107.8 59.4 -75.8 -36.7 27.6 -8.2 19.0 77 86 A E H X S+ 0 0 76 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.916 109.9 44.1 -57.5 -42.4 29.0 -10.3 21.9 78 87 A K H X S+ 0 0 156 -4,-2.3 4,-1.1 2,-0.2 3,-0.5 0.890 111.3 53.1 -69.4 -41.0 31.7 -7.7 22.4 79 88 A I H >< S+ 0 0 17 -4,-1.5 3,-0.7 -5,-0.3 7,-0.2 0.918 106.4 53.2 -60.4 -43.3 29.2 -4.8 22.2 80 89 A R H 3< S+ 0 0 107 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.753 110.1 48.7 -63.8 -25.0 27.0 -6.4 24.8 81 90 A Q H 3< S+ 0 0 146 -4,-0.8 2,-0.6 -3,-0.5 -1,-0.2 0.632 87.7 97.8 -89.3 -17.1 30.0 -6.6 27.1 82 91 A D S+ 0 0 122 -2,-0.6 4,-3.2 2,-0.2 5,-0.2 0.901 89.6 50.2 -60.3 -45.4 29.7 -1.0 29.5 84 93 A T H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.942 113.5 45.1 -61.1 -47.5 29.7 2.3 27.7 85 94 A S H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 115.7 48.7 -61.8 -40.7 27.8 0.9 24.7 86 95 A S H X S+ 0 0 43 -4,-2.4 4,-2.3 -7,-0.2 -2,-0.2 0.902 111.8 48.1 -65.5 -43.6 25.4 -0.9 27.0 87 96 A S H X S+ 0 0 20 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.934 114.1 46.3 -63.5 -46.8 24.8 2.2 29.1 88 97 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.939 111.3 51.3 -62.0 -48.5 24.2 4.4 26.1 89 98 A N H < S+ 0 0 40 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.937 112.4 47.9 -54.9 -47.2 21.9 1.9 24.4 90 99 A F H >< S+ 0 0 52 -4,-2.3 3,-2.4 1,-0.2 4,-0.3 0.955 108.1 51.9 -58.7 -55.5 19.8 1.6 27.6 91 100 A L H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.826 100.6 63.3 -52.6 -36.2 19.4 5.4 28.2 92 101 A T T 3< S+ 0 0 25 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.602 86.5 74.3 -67.0 -9.8 18.2 5.9 24.6 93 102 A R T < S+ 0 0 127 -3,-2.4 2,-0.5 -4,-0.3 -1,-0.3 0.643 77.8 89.3 -76.3 -14.1 15.2 3.7 25.5 94 103 A V S X S- 0 0 2 -3,-1.9 3,-2.2 -4,-0.3 37,-0.1 -0.732 93.4-113.1 -84.0 126.0 13.8 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 -0.397 104.3 27.6 -59.8 131.2 11.6 8.8 25.3 96 105 A G T 3 S+ 0 0 32 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.121 97.5 100.7 103.0 -22.6 13.4 12.1 24.9 97 106 A I < + 0 0 6 -3,-2.2 -1,-0.2 -6,-0.2 -3,-0.1 -0.878 51.1 176.2-100.8 113.7 16.9 10.7 25.4 98 107 A G > - 0 0 28 -2,-0.7 4,-2.9 -3,-0.1 5,-0.2 -0.373 49.0 -77.1-103.9-172.5 18.7 10.3 22.1 99 108 A P H > S+ 0 0 25 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.881 129.0 46.5 -51.7 -46.3 22.2 9.2 21.2 100 109 A S H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.958 115.4 43.5 -65.1 -52.5 23.8 12.6 22.1 101 110 A A H > S+ 0 0 24 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.901 112.2 55.3 -61.3 -40.3 22.0 13.0 25.4 102 111 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.952 109.8 44.5 -57.7 -51.8 22.7 9.4 26.3 103 112 A R H X S+ 0 0 81 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.877 113.5 51.9 -61.2 -38.7 26.5 9.7 25.8 104 113 A K H X S+ 0 0 121 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.930 110.2 47.7 -64.7 -45.3 26.4 13.0 27.7 105 114 A F H ><>S+ 0 0 12 -4,-3.0 5,-2.4 1,-0.2 3,-0.5 0.943 109.8 52.7 -60.7 -47.2 24.6 11.5 30.6 106 115 A V H ><5S+ 0 0 11 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.883 106.7 54.2 -55.8 -37.7 27.0 8.6 30.7 107 116 A D H 3<5S+ 0 0 129 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.855 106.9 51.1 -63.5 -35.9 29.9 11.1 30.7 108 117 A E T <<5S- 0 0 89 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.433 124.7-103.3 -81.6 -0.8 28.3 12.7 33.8 109 118 A G T < 5S+ 0 0 46 -3,-1.2 2,-0.9 -4,-0.5 -3,-0.2 0.482 82.2 130.6 92.3 2.2 28.1 9.4 35.6 110 119 A I < + 0 0 7 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.805 18.5 137.9 -92.2 104.0 24.3 8.9 35.0 111 120 A K + 0 0 80 -2,-0.9 2,-0.3 -3,-0.1 -1,-0.2 0.476 49.9 49.7-127.7 -5.4 24.1 5.4 33.5 112 121 A T S > S- 0 0 62 1,-0.1 4,-2.4 -22,-0.1 5,-0.2 -0.812 83.4-103.4-132.4 173.8 21.1 3.6 35.1 113 122 A L H > S+ 0 0 43 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.905 123.6 53.6 -61.3 -40.5 17.4 4.0 35.8 114 123 A E H > S+ 0 0 138 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.920 107.8 49.8 -60.5 -44.6 18.4 4.6 39.4 115 124 A D H > S+ 0 0 26 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.928 110.5 49.8 -60.2 -46.7 20.8 7.4 38.3 116 125 A L H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.921 107.4 54.5 -58.5 -46.0 18.1 9.0 36.2 117 126 A R H >< S+ 0 0 151 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.824 110.5 44.4 -60.3 -34.1 15.6 9.0 39.0 118 127 A K H 3< S+ 0 0 135 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.530 114.7 51.9 -88.4 -5.1 17.8 10.8 41.4 119 128 A N T X< + 0 0 29 -3,-1.1 3,-2.1 -4,-0.7 -1,-0.2 -0.104 63.0 131.8-120.6 34.1 18.8 13.3 38.7 120 129 A E G X + 0 0 91 -3,-0.6 3,-2.5 1,-0.3 -1,-0.1 0.849 66.4 67.2 -53.5 -38.2 15.4 14.4 37.5 121 130 A D G 3 S+ 0 0 123 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.698 95.2 58.6 -58.9 -17.3 16.5 18.1 37.7 122 131 A K G < S+ 0 0 94 -3,-2.1 2,-0.3 -6,-0.2 -1,-0.3 0.365 93.3 84.7 -93.6 5.3 18.9 17.3 34.9 123 132 A L S < S- 0 0 11 -3,-2.5 -26,-0.0 -4,-0.1 2,-0.0 -0.828 74.1-128.8-109.1 145.9 16.2 16.2 32.5 124 133 A N > - 0 0 86 -2,-0.3 4,-2.1 -28,-0.1 5,-0.2 -0.232 42.9 -87.4 -79.9 179.3 14.0 18.4 30.2 125 134 A H H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.948 125.9 46.5 -53.1 -57.8 10.2 18.1 30.2 126 135 A H H > S+ 0 0 39 1,-0.2 4,-2.2 93,-0.2 3,-0.3 0.920 112.8 49.5 -51.9 -51.0 10.0 15.3 27.6 127 136 A Q H > S+ 0 0 16 -31,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.860 107.6 56.5 -59.3 -35.0 12.7 13.2 29.2 128 137 A R H X S+ 0 0 99 -4,-2.1 4,-2.0 -3,-0.3 -1,-0.2 0.881 109.3 43.7 -65.2 -39.6 11.1 13.6 32.6 129 138 A I H X S+ 0 0 12 -4,-1.8 4,-2.0 -3,-0.3 -1,-0.2 0.852 111.0 56.9 -73.9 -33.2 7.8 12.1 31.3 130 139 A G H < S+ 0 0 1 -4,-2.2 -35,-0.3 -35,-0.3 -2,-0.2 0.881 109.3 44.6 -64.0 -38.6 9.7 9.4 29.5 131 140 A L H >< S+ 0 0 9 -4,-2.0 3,-1.7 2,-0.2 4,-0.3 0.929 108.7 57.8 -70.2 -44.8 11.4 8.3 32.7 132 141 A K H 3< S+ 0 0 126 -4,-2.0 3,-0.2 1,-0.3 -2,-0.2 0.878 120.0 28.7 -52.0 -43.7 8.1 8.5 34.6 133 142 A Y T 3X S+ 0 0 17 -4,-2.0 4,-3.0 1,-0.2 -1,-0.3 0.008 80.9 127.5-109.8 27.1 6.5 6.0 32.2 134 143 A F T <4 S+ 0 0 25 -3,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.923 79.4 41.5 -48.9 -53.9 9.6 4.1 31.2 135 144 A G T >> S+ 0 0 37 -4,-0.3 3,-1.3 -3,-0.2 4,-0.7 0.934 115.0 50.4 -61.8 -48.0 8.0 0.7 32.0 136 145 A D G >4 S+ 0 0 40 1,-0.3 3,-1.5 2,-0.2 -2,-0.2 0.910 105.1 55.9 -58.2 -44.8 4.6 1.5 30.6 137 146 A F G 3< S+ 0 0 41 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.589 100.5 61.8 -66.8 -7.8 6.0 2.7 27.3 138 147 A E G <4 S+ 0 0 90 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.717 88.4 93.6 -85.4 -25.1 7.7 -0.6 26.9 139 148 A K S << S- 0 0 101 -3,-1.5 2,-0.1 -4,-0.7 -3,-0.0 -0.391 75.2-124.4 -74.6 146.6 4.4 -2.4 26.9 140 149 A R - 0 0 143 -2,-0.1 40,-0.2 38,-0.0 -1,-0.1 -0.445 19.5-126.9 -82.3 158.6 2.4 -3.4 23.8 141 150 A I E -A 179 0A 0 38,-2.7 38,-2.3 -2,-0.1 40,-0.1 -0.936 20.7-131.0-111.6 118.0 -1.1 -2.2 23.3 142 151 A P E >> -A 178 0A 56 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.381 19.7-121.9 -63.7 143.7 -3.6 -5.0 22.4 143 152 A R H 3> S+ 0 0 60 34,-2.3 4,-2.6 1,-0.3 5,-0.2 0.882 113.8 61.8 -54.4 -36.9 -5.8 -4.2 19.4 144 153 A E H 3> S+ 0 0 149 33,-0.3 4,-1.4 1,-0.3 -1,-0.3 0.888 106.7 44.5 -57.1 -38.2 -8.8 -4.6 21.7 145 154 A E H <> S+ 0 0 31 -3,-1.0 4,-2.2 2,-0.2 -1,-0.3 0.842 108.5 57.0 -74.2 -32.9 -7.5 -1.8 23.8 146 155 A M H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.895 104.9 53.5 -63.4 -37.4 -6.7 0.2 20.7 147 156 A L H X S+ 0 0 79 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.910 108.4 47.8 -63.3 -42.6 -10.4 -0.1 19.7 148 157 A Q H X S+ 0 0 66 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.889 112.9 49.5 -64.8 -39.3 -11.6 1.3 23.1 149 158 A M H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.902 109.9 51.0 -65.4 -41.2 -9.1 4.1 22.7 150 159 A Q H X S+ 0 0 53 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.930 107.4 53.6 -60.6 -46.6 -10.4 4.8 19.2 151 160 A D H X S+ 0 0 95 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.920 112.3 44.5 -54.9 -48.1 -14.0 4.9 20.5 152 161 A I H X S+ 0 0 36 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.942 114.0 47.5 -63.9 -51.3 -13.0 7.5 23.1 153 162 A V H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.924 115.7 44.2 -59.6 -46.3 -11.0 9.7 20.8 154 163 A L H X S+ 0 0 63 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.942 116.1 46.2 -65.7 -46.8 -13.6 9.8 18.0 155 164 A N H X S+ 0 0 61 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.899 114.6 47.6 -63.1 -39.6 -16.5 10.3 20.3 156 165 A E H X S+ 0 0 19 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.883 111.7 49.4 -70.0 -37.3 -14.7 13.1 22.3 157 166 A V H X S+ 0 0 6 -4,-2.2 4,-2.1 -5,-0.3 3,-0.4 0.912 108.8 54.2 -65.9 -40.5 -13.6 14.8 19.1 158 167 A K H < S+ 0 0 130 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.894 103.6 56.1 -59.8 -40.9 -17.2 14.6 17.8 159 168 A K H < S+ 0 0 141 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.841 107.5 49.4 -61.3 -34.2 -18.4 16.3 21.0 160 169 A V H < S- 0 0 41 -4,-1.2 2,-0.3 -3,-0.4 -2,-0.2 0.968 136.9 -14.8 -69.4 -54.5 -16.1 19.3 20.3 161 170 A D >< - 0 0 33 -4,-2.1 3,-2.1 1,-0.0 -1,-0.3 -0.902 54.8-143.9-154.9 119.9 -17.1 19.8 16.7 162 171 A S T 3 S+ 0 0 101 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.661 98.7 66.7 -59.0 -16.3 -19.1 17.4 14.6 163 172 A E T 3 S+ 0 0 107 -6,-0.1 -1,-0.3 -5,-0.1 2,-0.1 0.558 77.1 100.9 -85.2 -7.3 -17.0 18.4 11.6 164 173 A Y < - 0 0 12 -3,-2.1 2,-0.4 -7,-0.2 24,-0.2 -0.427 57.2-158.9 -72.1 152.9 -13.8 17.0 12.9 165 174 A I E -B 187 0B 77 22,-1.9 22,-1.7 -2,-0.1 2,-0.5 -0.969 6.0-168.4-135.5 117.0 -12.7 13.7 11.4 166 175 A A E -B 186 0B 13 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.934 3.2-172.2-110.0 131.1 -10.3 11.6 13.5 167 176 A T E -B 185 0B 30 18,-2.8 18,-3.3 -2,-0.5 2,-0.6 -0.984 19.6-136.9-126.1 126.0 -8.6 8.6 11.9 168 177 A V E +B 184 0B 5 -2,-0.4 16,-0.2 16,-0.2 2,-0.0 -0.698 37.1 164.1 -82.6 122.3 -6.4 6.1 13.8 169 178 A C >> + 0 0 1 14,-2.7 4,-1.2 -2,-0.6 3,-0.8 0.131 27.4 75.9-110.9-135.7 -3.4 5.3 11.6 170 179 A G H >> S- 0 0 6 93,-2.4 4,-1.1 1,-0.2 3,-0.5 -0.149 114.3 -25.9 59.1-155.7 -0.0 3.7 12.4 171 180 A S H 34>S+ 0 0 22 1,-0.2 5,-2.5 2,-0.2 -1,-0.2 0.778 135.4 67.1 -61.6 -27.4 0.2 -0.1 12.8 172 181 A F H X45S+ 0 0 14 -3,-0.8 3,-1.7 1,-0.2 -1,-0.2 0.934 101.2 45.8 -59.9 -46.4 -3.5 -0.1 13.8 173 182 A R H <<5S+ 0 0 67 -4,-1.2 -1,-0.2 -3,-0.5 149,-0.2 0.783 106.6 60.1 -67.7 -25.1 -4.7 1.0 10.4 174 183 A R T 3<5S- 0 0 42 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.403 122.6-110.6 -81.4 3.5 -2.3 -1.6 8.9 175 184 A G T < 5 + 0 0 41 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.637 54.8 170.5 79.3 18.4 -4.4 -4.1 10.9 176 185 A A < - 0 0 28 -5,-2.5 -1,-0.2 1,-0.1 3,-0.1 -0.269 39.1-134.0 -63.6 145.4 -1.8 -5.1 13.5 177 186 A E S S+ 0 0 153 1,-0.1 -34,-2.3 -35,-0.1 -33,-0.3 0.561 91.8 14.0 -75.7 -7.5 -3.0 -7.2 16.4 178 187 A S E S-A 142 0A 36 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.961 71.0-155.1-161.2 152.5 -1.1 -4.9 18.8 179 188 A S E -A 141 0A 0 -38,-2.3 -38,-2.7 -2,-0.3 3,-0.1 -0.923 22.4-135.6-133.0 157.3 0.5 -1.5 18.6 180 189 A G S S- 0 0 41 -2,-0.3 65,-0.4 -40,-0.2 2,-0.3 0.678 87.5 -19.1 -83.7 -19.3 3.3 0.4 20.4 181 190 A D S S- 0 0 38 63,-0.1 2,-0.5 -40,-0.1 -9,-0.2 -0.932 74.6 -88.6-166.4-176.0 1.2 3.6 20.6 182 191 A M E - c 0 246B 0 63,-2.1 65,-2.4 -2,-0.3 2,-0.5 -0.962 29.7-167.1-116.9 128.7 -1.8 5.4 19.1 183 192 A D E - c 0 247B 19 -2,-0.5 -14,-2.7 -14,-0.3 2,-0.5 -0.965 7.3-169.8-115.1 124.2 -1.5 7.7 16.1 184 193 A V E -Bc 168 248B 2 63,-2.7 65,-2.6 -2,-0.5 2,-0.5 -0.963 10.5-157.4-121.7 124.2 -4.4 9.9 15.2 185 194 A L E -Bc 167 249B 0 -18,-3.3 -18,-2.8 -2,-0.5 2,-0.4 -0.831 18.6-164.5 -95.8 133.7 -4.8 12.0 12.1 186 195 A L E +Bc 166 250B 1 63,-2.9 65,-2.5 -2,-0.5 2,-0.3 -0.955 12.2 174.8-125.4 139.4 -7.1 14.9 12.5 187 196 A T E -B 165 0B 3 -22,-1.7 -22,-1.9 -2,-0.4 5,-0.1 -0.947 6.4-179.3-136.4 159.1 -8.9 17.1 10.0 188 197 A H > - 0 0 0 3,-0.4 3,-2.2 63,-0.4 65,-0.5 -0.944 35.9-122.9-155.9 135.8 -11.5 19.9 10.1 189 198 A P T 3 S+ 0 0 48 0, 0.0 8,-0.1 0, 0.0 65,-0.1 0.746 108.1 66.0 -53.9 -25.6 -13.0 21.9 7.2 190 199 A S T 3 S+ 0 0 17 1,-0.1 7,-2.7 6,-0.1 2,-0.6 0.660 95.2 64.4 -71.8 -16.4 -11.7 25.2 8.7 191 200 A F B < +F 196 0C 29 -3,-2.2 62,-2.5 5,-0.2 -3,-0.4 -0.911 65.8 142.1-115.6 108.2 -8.1 24.2 8.1 192 201 A T - 0 0 37 3,-2.6 3,-0.2 -2,-0.6 -2,-0.0 -0.787 66.1 -96.8-132.7 176.0 -7.0 23.7 4.5 193 202 A S S S+ 0 0 68 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.663 124.2 54.8 -69.7 -13.3 -3.9 24.4 2.5 194 203 A E S S- 0 0 162 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.795 122.0 -22.6 -89.8 -31.9 -5.6 27.6 1.4 195 204 A S - 0 0 46 -3,-0.2 -3,-2.6 0, 0.0 2,-0.6 -0.990 44.0-123.1-172.7 164.1 -6.4 29.0 4.9 196 205 A T B +F 191 0C 90 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.915 28.7 172.6-118.7 97.8 -6.9 28.6 8.6 197 206 A K + 0 0 164 -7,-2.7 -6,-0.1 -2,-0.6 -1,-0.1 0.600 67.4 43.6 -83.0 -13.7 -10.3 30.0 9.4 198 207 A Q S S- 0 0 67 -8,-0.4 3,-0.5 0, 0.0 -1,-0.1 -0.998 74.1-144.6-135.7 133.4 -10.4 28.8 13.0 199 208 A P S S+ 0 0 94 0, 0.0 -2,-0.0 0, 0.0 -9,-0.0 -0.436 77.9 28.1 -90.3 169.8 -7.6 29.0 15.6 200 209 A K > + 0 0 123 -2,-0.1 4,-3.0 1,-0.1 5,-0.2 0.735 69.5 146.7 54.7 27.9 -6.8 26.4 18.3 201 210 A L H > S+ 0 0 5 -3,-0.5 4,-1.1 2,-0.2 -1,-0.1 0.930 78.3 35.8 -59.2 -46.2 -8.3 23.6 16.3 202 211 A L H > S+ 0 0 3 21,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.912 115.8 56.8 -71.9 -42.0 -5.7 21.1 17.7 203 212 A H H > S+ 0 0 70 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.916 101.2 56.0 -54.1 -50.4 -5.8 22.8 21.1 204 213 A Q H X S+ 0 0 70 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.905 110.9 45.0 -49.8 -48.2 -9.6 22.3 21.5 205 214 A V H X S+ 0 0 2 -4,-1.1 4,-2.3 -5,-0.2 -1,-0.2 0.918 112.7 48.6 -65.3 -45.9 -9.3 18.6 20.9 206 215 A V H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.938 111.8 51.9 -58.9 -45.6 -6.3 18.2 23.3 207 216 A E H X S+ 0 0 110 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.904 109.5 48.3 -55.7 -48.1 -8.1 20.2 25.9 208 217 A Q H X S+ 0 0 42 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.903 111.2 50.2 -61.6 -43.3 -11.3 18.0 25.7 209 218 A L H <>S+ 0 0 1 -4,-2.3 5,-2.4 1,-0.2 6,-1.7 0.801 112.4 47.0 -67.7 -29.5 -9.3 14.8 25.9 210 219 A Q H ><5S+ 0 0 79 -4,-1.8 3,-1.6 4,-0.2 -1,-0.2 0.849 106.6 60.2 -77.4 -35.2 -7.5 16.1 29.0 211 220 A K H 3<5S+ 0 0 145 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.886 107.1 43.6 -58.1 -42.6 -10.8 17.2 30.4 212 221 A V T 3<5S- 0 0 53 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.258 119.4-112.4 -88.3 11.7 -12.1 13.6 30.4 213 222 A H T < 5S+ 0 0 152 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.689 86.1 117.8 66.5 22.7 -8.8 12.4 31.8 214 223 A F S - 0 0 161 -2,-0.2 3,-1.7 4,-0.2 -1,-0.1 -0.360 51.8 -63.1 -89.4 172.1 -13.5 -0.0 36.4 236 245 A N T 3 S+ 0 0 162 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.263 119.7 0.5 -56.1 135.9 -14.1 -0.1 40.2 237 246 A D T 3 S+ 0 0 178 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.344 103.9 121.0 67.7 -6.7 -11.5 -2.3 42.0 238 247 A E S < S- 0 0 76 -3,-1.7 -1,-0.2 1,-0.1 -4,-0.1 -0.654 71.0 -99.4 -94.1 149.6 -9.6 -3.1 38.8 239 248 A K - 0 0 174 -2,-0.3 -4,-0.2 1,-0.1 -1,-0.1 -0.233 45.7-101.5 -58.2 147.1 -6.0 -2.3 38.2 240 249 A E - 0 0 122 -6,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.385 34.5-111.2 -72.9 149.7 -5.3 0.7 36.1 241 250 A Y - 0 0 53 -9,-0.5 -1,-0.1 1,-0.1 -7,-0.1 -0.389 42.8 -94.5 -73.0 158.3 -4.3 0.4 32.4 242 251 A P - 0 0 20 0, 0.0 -10,-0.4 0, 0.0 2,-0.2 -0.387 43.4-103.3 -71.3 154.0 -0.8 1.2 31.5 243 252 A H - 0 0 29 -12,-0.1 2,-0.3 -3,-0.1 -12,-0.2 -0.534 43.0-154.0 -74.9 149.3 -0.1 4.8 30.3 244 253 A R E - E 0 230B 14 -14,-3.2 -14,-2.8 -2,-0.2 2,-0.3 -0.939 15.8-113.6-129.4 150.8 0.3 5.0 26.5 245 254 A R E - E 0 229B 35 -65,-0.4 -63,-2.1 -2,-0.3 2,-0.4 -0.595 35.3-173.8 -80.1 138.7 2.0 7.2 24.0 246 255 A I E 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