==== 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 3JPO . 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) . 17340.0 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 . 15 4.6 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 . 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 3 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 0 177 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 20.3 9.6 -15.0 12.6 2 11 A L T 3 + 0 0 92 1,-0.3 3,-0.1 36,-0.2 36,-0.1 0.860 360.0 17.0 -59.1 -38.7 10.8 -17.3 9.7 3 12 A N T 3> S+ 0 0 15 1,-0.1 4,-2.5 40,-0.1 -1,-0.3 -0.258 87.7 140.9-126.5 41.2 14.3 -15.7 9.9 4 13 A G H <> + 0 0 15 -3,-1.4 4,-3.0 1,-0.2 5,-0.3 0.878 65.6 57.0 -52.9 -47.2 13.8 -14.2 13.3 5 14 A G H > S+ 0 0 34 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.930 112.2 42.1 -52.2 -49.1 17.4 -14.9 14.5 6 15 A I H > S+ 0 0 6 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.932 115.0 48.1 -66.1 -47.7 18.8 -13.0 11.6 7 16 A T H X S+ 0 0 23 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.913 111.2 51.3 -62.6 -39.9 16.4 -10.1 11.6 8 17 A D H X S+ 0 0 109 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.913 109.4 51.5 -60.9 -42.0 16.9 -9.6 15.4 9 18 A M H X S+ 0 0 6 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.908 111.5 45.9 -60.8 -45.0 20.7 -9.6 14.9 10 19 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.880 111.2 52.9 -67.1 -38.0 20.5 -6.9 12.2 11 20 A T H X S+ 0 0 62 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.912 109.7 48.0 -64.1 -42.3 18.1 -4.9 14.3 12 21 A E H X S+ 0 0 66 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.906 113.0 49.1 -64.9 -39.4 20.5 -5.0 17.3 13 22 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.938 110.9 50.4 -63.3 -45.9 23.3 -4.0 14.9 14 23 A A H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.918 109.4 50.2 -57.7 -46.9 21.2 -1.2 13.5 15 24 A N H X S+ 0 0 66 -4,-2.7 4,-3.2 1,-0.2 5,-0.4 0.868 109.3 52.9 -61.2 -36.5 20.4 0.1 17.0 16 25 A F H X>S+ 0 0 25 -4,-1.9 5,-1.9 2,-0.2 4,-1.8 0.941 109.1 47.2 -64.5 -49.0 24.1 0.0 17.9 17 26 A E H <5S+ 0 0 8 -4,-2.4 6,-3.3 3,-0.2 5,-0.3 0.878 119.0 42.9 -60.1 -37.4 25.1 2.1 14.9 18 27 A K H <5S+ 0 0 68 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.962 124.2 30.6 -73.9 -54.8 22.3 4.6 15.7 19 28 A N H <5S+ 0 0 14 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.944 135.0 20.2 -73.0 -50.8 22.6 4.9 19.4 20 29 A V T <5S+ 0 0 11 -4,-1.8 -3,-0.2 -5,-0.4 -4,-0.1 0.951 131.5 35.1 -86.3 -58.2 26.4 4.3 20.0 21 30 A S S > + 0 0 28 -6,-3.3 4,-2.1 1,-0.2 3,-0.5 -0.755 24.2 178.5-114.4 80.0 26.0 6.4 12.1 24 33 A I H 3> S+ 0 0 75 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.805 76.9 53.0 -54.0 -37.1 22.5 7.0 10.8 25 34 A H H 3> S+ 0 0 160 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.876 110.2 47.3 -70.9 -35.3 23.2 5.6 7.3 26 35 A K H <> S+ 0 0 118 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.867 109.2 56.6 -69.5 -37.3 24.5 2.3 8.7 27 36 A Y H X S+ 0 0 31 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.962 111.8 40.9 -56.7 -53.4 21.5 2.2 11.0 28 37 A N H X S+ 0 0 36 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.811 110.2 59.2 -66.7 -29.8 19.2 2.4 8.0 29 38 A A H X S+ 0 0 53 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.954 110.3 42.1 -63.8 -47.5 21.4 0.0 6.0 30 39 A Y H X S+ 0 0 22 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.895 113.9 52.7 -65.5 -39.0 20.9 -2.6 8.7 31 40 A R H X S+ 0 0 42 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.916 108.4 49.8 -63.7 -41.7 17.2 -1.8 9.0 32 41 A K H X S+ 0 0 101 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.922 112.0 48.2 -62.2 -43.8 16.6 -2.2 5.2 33 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 22,-0.3 5,-0.2 0.931 111.7 49.1 -61.4 -48.1 18.4 -5.5 5.3 34 43 A A H X S+ 0 0 8 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.913 112.5 50.6 -57.5 -43.6 16.3 -6.7 8.3 35 44 A S H X S+ 0 0 5 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.949 110.3 45.6 -60.6 -54.2 13.2 -5.5 6.5 36 45 A V H X S+ 0 0 18 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.814 115.1 49.6 -62.6 -29.3 13.8 -7.3 3.1 37 46 A I H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.830 106.6 53.5 -79.0 -31.8 14.8 -10.5 5.0 38 47 A A H < S+ 0 0 71 -4,-2.0 -36,-0.2 1,-0.2 -2,-0.2 0.752 110.1 50.0 -72.4 -22.0 11.7 -10.4 7.2 39 48 A K H < S+ 0 0 125 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.701 85.9 108.3 -85.9 -22.9 9.7 -10.2 4.0 40 49 A Y < - 0 0 46 -4,-0.7 4,-0.1 -5,-0.2 -38,-0.1 -0.409 63.1-149.3 -62.9 118.8 11.6 -13.2 2.5 41 50 A P S S+ 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.218 71.1 75.2 -74.9 13.7 9.2 -16.2 2.4 42 51 A H S S- 0 0 109 -5,-0.2 2,-1.0 -39,-0.0 -2,-0.1 -0.940 86.0-112.4-130.1 152.2 12.1 -18.7 2.8 43 52 A K - 0 0 155 -2,-0.3 -40,-0.1 1,-0.1 -41,-0.0 -0.732 45.7-123.6 -82.4 104.9 14.2 -19.9 5.7 44 53 A I - 0 0 6 -2,-1.0 3,-0.1 1,-0.1 -38,-0.1 -0.214 29.5-176.5 -53.3 132.4 17.7 -18.6 4.7 45 54 A K + 0 0 180 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.515 63.6 10.0-109.1 -10.8 20.4 -21.2 4.5 46 55 A S > - 0 0 37 1,-0.1 4,-2.0 22,-0.0 -1,-0.3 -0.990 66.4-113.9-164.6 159.0 23.4 -19.1 3.7 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.833 116.7 59.8 -64.8 -31.3 24.8 -15.5 3.5 48 57 A A H > S+ 0 0 68 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.933 105.2 47.9 -61.3 -45.8 25.1 -16.1 -0.3 49 58 A E H >4 S+ 0 0 39 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.925 113.9 47.5 -60.0 -45.6 21.4 -16.7 -0.5 50 59 A A H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.2 6,-0.2 0.864 100.9 64.7 -64.2 -38.6 20.7 -13.6 1.6 51 60 A K H 3< S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.680 87.3 72.9 -60.8 -17.5 23.1 -11.5 -0.5 52 61 A K T << S+ 0 0 176 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.820 83.4 83.4 -66.7 -29.1 20.7 -12.0 -3.4 53 62 A L S X S- 0 0 29 -3,-2.0 3,-1.8 -4,-0.3 2,-0.2 -0.507 94.4-105.9 -77.7 141.7 18.2 -9.7 -1.8 54 63 A P T 3 S+ 0 0 104 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.488 108.1 33.7 -68.1 128.9 18.7 -5.9 -2.3 55 64 A G T 3 S+ 0 0 38 -2,-0.2 2,-0.7 1,-0.2 -22,-0.3 0.079 95.8 97.2 112.9 -22.4 20.1 -4.4 0.8 56 65 A V < + 0 0 7 -3,-1.8 -1,-0.2 -6,-0.2 2,-0.1 -0.899 52.1 165.2-103.4 111.9 22.1 -7.4 1.8 57 66 A G > - 0 0 33 -2,-0.7 4,-1.9 -3,-0.1 5,-0.1 -0.203 52.7 -69.0-107.5-158.6 25.7 -6.9 0.7 58 67 A T H > S+ 0 0 83 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.959 125.9 50.1 -61.1 -56.7 29.0 -8.6 1.4 59 68 A K H > S+ 0 0 148 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.909 115.9 41.4 -49.8 -52.8 29.4 -7.5 5.1 60 69 A I H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.856 110.5 58.9 -67.3 -33.3 26.0 -8.5 6.1 61 70 A A H X S+ 0 0 8 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.910 106.3 48.2 -61.4 -42.2 26.3 -11.8 4.1 62 71 A E H X S+ 0 0 119 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.892 110.4 51.8 -64.8 -38.7 29.4 -12.7 6.2 63 72 A K H X S+ 0 0 34 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.878 107.8 51.5 -66.1 -37.3 27.5 -11.9 9.4 64 73 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.875 108.0 52.3 -68.2 -35.9 24.6 -14.1 8.3 65 74 A D H X S+ 0 0 75 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.938 110.7 48.0 -64.2 -44.9 27.0 -17.0 7.6 66 75 A E H X S+ 0 0 39 -4,-2.1 4,-2.2 1,-0.2 6,-0.5 0.925 111.9 49.3 -61.3 -44.6 28.5 -16.6 11.1 67 76 A F H X S+ 0 0 44 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.868 111.4 48.9 -63.5 -37.5 25.1 -16.5 12.7 68 77 A L H < S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.882 113.9 46.3 -69.9 -37.6 23.9 -19.6 10.9 69 78 A A H < S+ 0 0 86 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.837 133.4 13.1 -75.0 -34.1 27.0 -21.5 11.8 70 79 A T H < S- 0 0 89 -4,-2.2 -3,-0.2 2,-0.3 -2,-0.2 0.549 93.9-119.0-120.4 -13.3 27.1 -20.6 15.5 71 80 A G S < S+ 0 0 48 -4,-2.1 2,-0.3 -5,-0.4 -4,-0.2 0.548 86.8 58.4 84.5 6.1 23.8 -19.0 16.4 72 81 A K S S- 0 0 89 -6,-0.5 2,-0.4 -63,-0.0 -2,-0.3 -0.911 74.2-119.5-153.8-179.4 25.5 -15.8 17.3 73 82 A L > - 0 0 4 -2,-0.3 4,-1.9 1,-0.1 3,-0.3 -0.991 8.6-153.2-134.2 123.3 27.7 -12.9 16.3 74 83 A R H > S+ 0 0 147 -2,-0.4 4,-2.5 1,-0.2 5,-0.3 0.880 96.6 60.6 -61.8 -40.6 31.0 -12.1 18.0 75 84 A K H > S+ 0 0 82 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.886 110.5 41.7 -55.0 -40.0 30.7 -8.4 17.0 76 85 A L H > S+ 0 0 3 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.846 108.9 59.2 -76.3 -34.9 27.5 -8.2 19.0 77 86 A E H X S+ 0 0 72 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.910 108.4 45.6 -59.9 -41.9 28.9 -10.3 21.8 78 87 A K H X S+ 0 0 144 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.849 111.2 52.8 -70.0 -35.3 31.7 -7.7 22.4 79 88 A I H < S+ 0 0 19 -4,-1.2 3,-0.3 -5,-0.3 7,-0.2 0.931 107.0 51.9 -66.1 -44.0 29.2 -4.8 22.1 80 89 A R H < S+ 0 0 105 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.845 109.7 50.7 -60.0 -34.5 27.0 -6.4 24.8 81 90 A Q H < S+ 0 0 148 -4,-1.4 2,-0.4 -5,-0.2 -1,-0.2 0.794 88.6 94.3 -74.1 -29.8 30.0 -6.7 27.1 82 91 A D X - 0 0 71 -4,-1.4 4,-2.0 -3,-0.3 5,-0.1 -0.517 63.5-158.5 -67.9 119.1 31.0 -3.1 26.6 83 92 A D H > S+ 0 0 124 -2,-0.4 4,-3.0 2,-0.2 5,-0.2 0.869 88.2 51.6 -68.4 -38.8 29.5 -1.1 29.4 84 93 A T H > S+ 0 0 67 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.957 113.3 45.0 -63.8 -48.4 29.5 2.3 27.8 85 94 A S H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 115.1 49.5 -60.4 -40.8 27.7 0.9 24.7 86 95 A S H X S+ 0 0 41 -4,-2.0 4,-2.5 -7,-0.2 -1,-0.2 0.916 112.8 46.4 -64.5 -44.5 25.3 -0.9 26.9 87 96 A S H X S+ 0 0 24 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.927 114.3 46.4 -65.3 -45.9 24.6 2.2 29.0 88 97 A I H X S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.912 112.7 50.9 -63.9 -42.3 24.1 4.4 26.0 89 98 A N H < S+ 0 0 39 -4,-2.5 4,-0.4 -5,-0.3 -2,-0.2 0.946 113.1 46.2 -60.3 -47.5 21.9 1.8 24.3 90 99 A F H >< S+ 0 0 48 -4,-2.5 3,-2.3 1,-0.2 4,-0.3 0.952 109.3 52.5 -59.8 -53.9 19.8 1.5 27.4 91 100 A L H >< S+ 0 0 0 -4,-2.8 3,-2.1 1,-0.3 6,-0.2 0.836 99.5 63.6 -53.7 -36.7 19.4 5.3 28.1 92 101 A T T 3< S+ 0 0 24 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.656 87.0 74.6 -64.3 -13.4 18.2 5.9 24.5 93 102 A R T < S+ 0 0 124 -3,-2.3 2,-0.5 -4,-0.4 -1,-0.3 0.656 76.4 90.6 -73.4 -14.0 15.2 3.7 25.4 94 103 A V S X S- 0 0 2 -3,-2.1 3,-2.2 -4,-0.3 37,-0.1 -0.711 93.3-112.0 -81.8 126.4 13.8 6.6 27.5 95 104 A S T 3 S+ 0 0 37 -2,-0.5 35,-0.4 35,-0.3 36,-0.2 -0.390 104.8 26.4 -59.8 129.1 11.6 8.8 25.3 96 105 A G T 3 S+ 0 0 31 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.100 98.1 100.2 105.4 -23.7 13.3 12.1 24.8 97 106 A I < + 0 0 5 -3,-2.2 -1,-0.2 -6,-0.2 -3,-0.1 -0.877 49.8 174.4-100.2 113.5 16.9 10.7 25.3 98 107 A G > - 0 0 29 -2,-0.7 4,-2.7 -3,-0.1 5,-0.2 -0.384 50.5 -74.5-103.6-171.7 18.6 10.2 22.0 99 108 A P H > S+ 0 0 21 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.852 128.8 47.3 -52.8 -44.9 22.3 9.2 21.2 100 109 A S H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.979 116.0 42.6 -64.6 -54.9 23.8 12.5 22.1 101 110 A A H > S+ 0 0 25 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.883 114.1 53.9 -58.7 -37.8 22.0 13.0 25.4 102 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.924 110.4 45.0 -64.1 -43.8 22.6 9.3 26.2 103 112 A R H X S+ 0 0 85 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.850 113.0 51.7 -69.0 -34.0 26.4 9.7 25.7 104 113 A K H X S+ 0 0 119 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.927 109.6 48.4 -68.8 -44.6 26.4 12.9 27.6 105 114 A F H ><>S+ 0 0 13 -4,-2.6 5,-2.2 1,-0.2 3,-0.8 0.938 110.4 51.0 -60.5 -46.1 24.6 11.4 30.6 106 115 A V H ><5S+ 0 0 26 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.851 107.0 55.9 -59.7 -31.8 27.0 8.4 30.6 107 116 A D H 3<5S+ 0 0 121 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.810 106.7 49.8 -67.8 -30.8 29.8 11.0 30.6 108 117 A E T <<5S- 0 0 83 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.396 125.7-101.6 -88.2 0.4 28.3 12.5 33.7 109 118 A G T < 5S+ 0 0 53 -3,-1.0 2,-1.0 -4,-0.4 -3,-0.2 0.369 83.6 129.7 95.7 -5.8 28.1 9.2 35.4 110 119 A I < + 0 0 5 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.2 -0.748 18.6 136.6 -85.1 104.8 24.4 8.7 34.9 111 120 A K + 0 0 21 -2,-1.0 2,-0.3 -3,-0.1 -1,-0.2 0.399 49.7 54.6-132.8 2.1 24.1 5.3 33.4 112 121 A T S > S- 0 0 62 -3,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.856 82.5-106.7-134.3 170.6 21.2 3.4 35.0 113 122 A L H > S+ 0 0 39 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.908 123.1 51.7 -61.0 -42.6 17.5 3.8 35.6 114 123 A E H > S+ 0 0 133 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.888 107.4 53.4 -61.5 -39.4 18.3 4.4 39.2 115 124 A D H 4 S+ 0 0 24 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.896 108.4 48.8 -63.3 -41.8 20.8 7.1 38.2 116 125 A L H >< S+ 0 0 2 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.898 106.8 56.5 -64.9 -42.1 18.2 8.9 36.1 117 126 A R H >< S+ 0 0 149 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.837 108.1 46.7 -60.0 -35.0 15.6 8.9 38.9 118 127 A K T 3< S+ 0 0 133 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.273 115.4 49.0 -91.5 12.4 18.0 10.7 41.2 119 128 A N T X + 0 0 26 -3,-1.8 3,-2.6 -5,-0.1 4,-0.2 0.038 61.3 131.1-137.4 26.7 18.8 13.2 38.5 120 129 A E G X + 0 0 84 -3,-0.7 3,-2.7 1,-0.3 -2,-0.1 0.846 68.5 69.7 -48.8 -37.7 15.4 14.3 37.2 121 130 A D G 3 S+ 0 0 117 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.750 94.6 55.2 -54.3 -25.7 16.6 17.9 37.6 122 131 A K G < S+ 0 0 96 -3,-2.6 2,-0.3 -6,-0.2 -1,-0.3 0.410 95.2 87.4 -89.9 3.6 19.0 17.3 34.7 123 132 A L S < S- 0 0 13 -3,-2.7 -26,-0.0 -4,-0.2 2,-0.0 -0.762 73.1-128.8-104.5 147.9 16.2 16.2 32.3 124 133 A N > - 0 0 84 -2,-0.3 4,-2.0 -28,-0.1 5,-0.2 -0.229 42.1 -88.6 -81.2-179.0 14.1 18.3 30.1 125 134 A H H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.946 126.2 46.1 -56.1 -54.7 10.3 18.1 30.2 126 135 A H H > S+ 0 0 40 1,-0.2 4,-2.2 93,-0.2 -1,-0.2 0.920 112.7 50.2 -54.9 -49.7 10.0 15.3 27.5 127 136 A Q H > S+ 0 0 14 -31,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.844 107.5 55.3 -61.1 -33.7 12.8 13.2 29.1 128 137 A R H X S+ 0 0 102 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.908 109.9 44.5 -66.9 -41.7 11.1 13.5 32.5 129 138 A I H X S+ 0 0 13 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.867 110.8 54.8 -70.7 -35.3 7.8 12.1 31.2 130 139 A G H < S+ 0 0 0 -4,-2.2 -35,-0.3 -35,-0.4 -1,-0.2 0.857 110.6 46.0 -64.7 -34.6 9.6 9.4 29.3 131 140 A L H >< S+ 0 0 9 -4,-1.6 3,-1.5 -5,-0.2 4,-0.3 0.914 108.4 57.0 -72.6 -43.3 11.3 8.3 32.5 132 141 A K H 3< S+ 0 0 129 -4,-2.2 3,-0.2 1,-0.3 -2,-0.2 0.908 120.1 28.6 -53.3 -47.2 8.0 8.5 34.5 133 142 A Y T 3X S+ 0 0 19 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.073 82.4 128.0-104.8 23.4 6.3 6.0 32.1 134 143 A F H <> S+ 0 0 27 -3,-1.5 4,-0.6 1,-0.2 -1,-0.2 0.912 76.8 43.5 -44.0 -56.9 9.5 4.1 31.1 135 144 A G H >> S+ 0 0 40 -4,-0.3 3,-1.1 -3,-0.2 4,-0.5 0.928 114.9 48.9 -57.2 -48.6 8.0 0.7 32.0 136 145 A D H >4 S+ 0 0 37 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.900 103.8 57.5 -59.7 -46.4 4.6 1.4 30.4 137 146 A F H 3< S+ 0 0 43 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.621 101.3 59.8 -63.7 -11.1 5.9 2.7 27.1 138 147 A E H << S+ 0 0 97 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.664 89.5 92.0 -87.8 -20.6 7.7 -0.6 26.7 139 148 A K S << S- 0 0 100 -3,-1.7 2,-0.2 -4,-0.5 -3,-0.0 -0.383 77.7-119.9 -75.9 154.1 4.5 -2.5 26.8 140 149 A R - 0 0 141 -2,-0.1 40,-0.2 38,-0.0 -1,-0.1 -0.484 18.9-127.8 -86.8 162.0 2.4 -3.4 23.7 141 150 A I E -A 179 0A 1 38,-2.2 38,-2.5 -2,-0.2 40,-0.1 -0.958 21.4-131.3-114.5 117.4 -1.2 -2.3 23.2 142 151 A P E >> -A 178 0A 54 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.385 20.0-120.9 -64.5 144.7 -3.6 -5.1 22.4 143 152 A R H 3> S+ 0 0 58 34,-2.3 4,-2.6 1,-0.3 5,-0.2 0.860 114.0 61.4 -55.6 -34.4 -5.8 -4.3 19.4 144 153 A E H 3> S+ 0 0 135 33,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.894 106.7 44.7 -59.2 -39.2 -8.8 -4.6 21.6 145 154 A E H <> S+ 0 0 29 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.866 109.1 56.1 -72.2 -35.7 -7.5 -1.8 23.8 146 155 A M H X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.911 105.8 53.3 -60.7 -40.6 -6.7 0.2 20.6 147 156 A L H X S+ 0 0 63 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.891 109.3 46.2 -61.7 -42.5 -10.4 -0.2 19.7 148 157 A Q H X S+ 0 0 82 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.893 113.2 51.2 -66.8 -38.6 -11.6 1.2 23.0 149 158 A M H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.911 108.5 50.6 -63.8 -42.9 -9.0 4.0 22.6 150 159 A Q H X S+ 0 0 46 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.909 108.0 54.6 -60.5 -43.4 -10.3 4.8 19.1 151 160 A D H X S+ 0 0 97 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.919 110.4 44.4 -57.9 -47.1 -13.9 4.9 20.5 152 161 A I H X S+ 0 0 37 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.955 115.8 47.2 -63.5 -50.5 -13.0 7.5 23.1 153 162 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.930 113.8 45.2 -59.5 -49.9 -11.0 9.7 20.8 154 163 A L H X S+ 0 0 59 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.930 116.6 46.3 -62.8 -42.8 -13.5 9.7 17.9 155 164 A N H X S+ 0 0 66 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.900 113.2 47.5 -66.7 -41.1 -16.4 10.4 20.2 156 165 A E H X S+ 0 0 19 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.893 112.2 50.6 -67.3 -38.2 -14.7 13.2 22.2 157 166 A V H >X S+ 0 0 3 -4,-2.2 4,-2.0 -5,-0.3 3,-0.8 0.927 107.9 53.6 -63.3 -43.5 -13.5 14.8 19.0 158 167 A K H 3< S+ 0 0 129 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.839 104.2 56.3 -60.0 -34.2 -17.1 14.7 17.8 159 168 A K H 3< S+ 0 0 140 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.769 106.7 49.3 -70.0 -27.3 -18.3 16.4 21.0 160 169 A V H << S- 0 0 40 -4,-1.1 2,-0.3 -3,-0.8 -2,-0.2 0.929 137.5 -15.4 -76.1 -47.9 -15.9 19.4 20.3 161 170 A D >< - 0 0 43 -4,-2.0 3,-1.9 -5,-0.1 -1,-0.3 -0.866 53.2-144.5-161.3 121.8 -17.0 19.8 16.7 162 171 A S T 3 S+ 0 0 85 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.642 98.4 68.3 -62.4 -15.5 -19.0 17.4 14.6 163 172 A E T 3 S+ 0 0 104 -5,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.522 77.7 101.9 -83.9 -5.6 -17.0 18.6 11.5 164 173 A Y < - 0 0 13 -3,-1.9 2,-0.4 -7,-0.2 24,-0.2 -0.466 56.5-159.2 -76.2 150.0 -13.7 17.0 12.9 165 174 A I E -B 187 0B 75 22,-1.9 22,-1.7 -2,-0.1 2,-0.5 -0.969 6.2-169.1-133.5 116.0 -12.6 13.7 11.4 166 175 A A E -B 186 0B 12 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.922 3.0-172.6-108.6 129.9 -10.2 11.6 13.4 167 176 A T E -B 185 0B 26 18,-2.8 18,-3.2 -2,-0.5 2,-0.5 -0.980 19.2-138.5-126.1 122.4 -8.5 8.6 11.8 168 177 A V E +B 184 0B 6 -2,-0.4 16,-0.2 16,-0.2 2,-0.0 -0.666 37.0 163.8 -80.1 124.1 -6.4 6.1 13.7 169 178 A C >> + 0 0 1 14,-3.0 4,-1.1 -2,-0.5 3,-0.8 0.084 26.8 74.4-113.6-137.2 -3.3 5.3 11.6 170 179 A G H >> S- 0 0 5 93,-2.7 4,-1.2 1,-0.2 3,-0.6 -0.124 114.3 -23.5 58.7-156.7 0.0 3.7 12.2 171 180 A S H 34>S+ 0 0 21 1,-0.2 5,-2.5 2,-0.2 -1,-0.2 0.777 135.6 65.8 -59.0 -27.4 0.2 -0.1 12.7 172 181 A F H X45S+ 0 0 14 -3,-0.8 3,-1.7 1,-0.2 -1,-0.2 0.936 101.9 45.3 -60.8 -48.1 -3.4 -0.0 13.8 173 182 A R H <<5S+ 0 0 69 -4,-1.1 -1,-0.2 -3,-0.6 149,-0.2 0.781 107.1 61.3 -66.6 -24.9 -4.6 1.0 10.3 174 183 A R T 3<5S- 0 0 46 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.411 123.0-107.5 -80.6 1.0 -2.3 -1.6 8.9 175 184 A G T < 5 + 0 0 39 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.590 56.3 171.1 85.4 13.0 -4.3 -4.2 10.8 176 185 A A < - 0 0 29 -5,-2.5 -1,-0.2 1,-0.1 3,-0.1 -0.213 36.9-139.3 -59.3 143.7 -1.8 -5.1 13.5 177 186 A E S S+ 0 0 152 1,-0.2 -34,-2.3 -35,-0.1 2,-0.3 0.613 91.2 16.3 -77.5 -13.0 -3.0 -7.3 16.4 178 187 A S E S-A 142 0A 37 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.974 73.0-153.4-154.9 150.9 -1.0 -5.0 18.8 179 188 A S E -A 141 0A 0 -38,-2.5 -38,-2.2 -2,-0.3 3,-0.1 -0.937 21.2-138.6-130.3 153.0 0.5 -1.5 18.5 180 189 A G S S- 0 0 41 -2,-0.3 65,-0.4 -40,-0.2 2,-0.3 0.709 87.0 -22.1 -79.2 -21.2 3.3 0.3 20.2 181 190 A D S S- 0 0 32 -40,-0.1 2,-0.5 63,-0.1 -9,-0.2 -0.940 74.7 -85.5-167.8-176.7 1.2 3.5 20.5 182 191 A M E - c 0 246B 0 63,-1.9 65,-2.2 -2,-0.3 2,-0.5 -0.934 30.5-164.9-112.9 129.6 -1.8 5.3 19.0 183 192 A D E - c 0 247B 20 -2,-0.5 -14,-3.0 -14,-0.4 2,-0.5 -0.961 7.1-170.2-116.4 121.1 -1.5 7.5 16.0 184 193 A V E -Bc 168 248B 2 63,-2.8 65,-2.7 -2,-0.5 2,-0.4 -0.943 9.6-160.2-118.2 120.6 -4.3 9.9 15.2 185 194 A L E -Bc 167 249B 1 -18,-3.2 -18,-2.8 -2,-0.5 2,-0.4 -0.803 17.9-165.6 -94.2 136.9 -4.7 11.9 12.1 186 195 A L E +Bc 166 250B 0 63,-3.1 65,-2.5 -2,-0.4 2,-0.3 -0.979 12.3 174.7-129.5 139.0 -7.0 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 -0.952 6.3-176.1-136.8 156.8 -8.7 17.2 9.9 188 197 A H > - 0 0 3 3,-0.4 3,-2.1 63,-0.4 65,-0.5 -0.968 33.9-123.0-150.9 138.0 -11.2 20.0 10.1 189 198 A P T 3 S+ 0 0 61 0, 0.0 65,-0.1 0, 0.0 -25,-0.1 0.759 107.7 63.7 -55.4 -27.0 -12.8 21.9 7.2 190 199 A S T 3 S+ 0 0 9 1,-0.2 7,-2.9 6,-0.1 2,-0.5 0.512 95.1 67.3 -77.7 -2.9 -11.6 25.3 8.5 191 200 A F B < +F 196 0C 29 -3,-2.1 62,-2.7 5,-0.2 -3,-0.4 -0.891 64.5 142.2-124.2 102.3 -8.0 24.2 8.1 192 201 A T - 0 0 35 3,-2.7 3,-0.2 -2,-0.5 -2,-0.0 -0.723 66.9 -98.6-127.4 176.5 -6.8 23.8 4.5 193 202 A S S S+ 0 0 70 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.746 125.1 55.5 -68.1 -21.8 -3.7 24.5 2.4 194 203 A E S S- 0 0 162 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.790 121.7 -21.7 -81.7 -32.5 -5.6 27.6 1.4 195 204 A S - 0 0 44 -3,-0.2 -3,-2.7 0, 0.0 2,-0.6 -0.988 42.7-125.4-173.3 163.4 -6.3 29.0 4.8 196 205 A T B +F 191 0C 90 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.938 28.4 170.5-119.4 101.3 -6.8 28.7 8.5 197 206 A K + 0 0 165 -7,-2.9 -6,-0.1 -2,-0.6 -1,-0.1 0.533 68.1 42.6 -89.8 -8.5 -10.2 30.1 9.4 198 207 A Q S S- 0 0 74 -8,-0.5 3,-0.5 0, 0.0 -1,-0.2 -0.986 71.6-150.1-142.1 127.7 -10.1 28.8 13.0 199 208 A P S S+ 0 0 96 0, 0.0 -9,-0.0 0, 0.0 -2,-0.0 -0.398 77.9 32.7 -88.6 171.8 -7.3 28.9 15.5 200 209 A K > + 0 0 131 -2,-0.1 4,-3.2 1,-0.1 5,-0.3 0.671 69.8 142.5 57.9 20.0 -6.7 26.4 18.3 201 210 A L H > S+ 0 0 6 -3,-0.5 4,-1.1 1,-0.2 -1,-0.1 0.923 79.1 35.7 -56.1 -45.8 -8.2 23.6 16.2 202 211 A L H > S+ 0 0 3 21,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.916 115.9 56.3 -73.6 -42.6 -5.6 21.1 17.6 203 212 A H H > S+ 0 0 65 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.911 102.2 55.0 -54.3 -49.1 -5.7 22.7 21.1 204 213 A Q H X S+ 0 0 68 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.910 110.7 45.6 -51.4 -49.7 -9.5 22.3 21.5 205 214 A V H X S+ 0 0 2 -4,-1.1 4,-2.5 -5,-0.3 5,-0.2 0.952 113.4 47.9 -61.3 -52.2 -9.2 18.6 20.9 206 215 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.953 112.5 51.6 -53.9 -47.4 -6.2 18.1 23.2 207 216 A E H X S+ 0 0 104 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.907 108.9 49.1 -54.3 -49.5 -8.1 20.2 25.8 208 217 A Q H X S+ 0 0 42 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.904 110.5 51.2 -59.4 -43.3 -11.2 18.0 25.5 209 218 A L H <>S+ 0 0 1 -4,-2.5 5,-2.5 1,-0.2 6,-1.6 0.815 111.7 46.6 -66.7 -30.0 -9.2 14.8 25.9 210 219 A Q H ><5S+ 0 0 74 -4,-1.9 3,-2.2 -5,-0.2 -2,-0.2 0.892 106.1 60.6 -76.4 -39.6 -7.5 16.1 29.0 211 220 A K H 3<5S+ 0 0 150 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.883 107.6 43.7 -52.2 -44.5 -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 0.283 118.4-113.9 -86.8 10.5 -12.1 13.7 30.3 213 222 A H T < 5S+ 0 0 149 -3,-2.2 -3,-0.2 2,-0.2 -2,-0.1 0.715 85.4 117.2 66.1 23.5 -8.8 12.4 31.7 214 223 A F S - 0 0 160 -2,-0.2 3,-1.5 4,-0.2 -1,-0.1 -0.359 53.1 -62.7 -87.4 171.4 -13.5 -0.2 36.3 236 245 A N T 3 S+ 0 0 157 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.239 118.0 0.7 -55.9 137.2 -14.0 -0.3 40.0 237 246 A D T 3 S+ 0 0 179 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.312 103.0 118.9 68.1 -7.4 -11.4 -2.3 42.0 238 247 A E S < S- 0 0 84 -3,-1.5 -1,-0.2 1,-0.1 -4,-0.1 -0.633 73.4 -99.8 -95.6 152.6 -9.4 -3.3 38.9 239 248 A K - 0 0 94 -2,-0.2 -4,-0.2 1,-0.1 -1,-0.1 -0.334 47.4-112.8 -60.6 141.0 -5.8 -2.4 38.2 240 249 A E - 0 0 121 1,-0.1 -1,-0.1 -6,-0.1 3,-0.1 -0.380 32.0 -97.3 -79.7 160.8 -5.6 0.5 35.8 241 250 A Y - 0 0 56 -9,-0.5 -1,-0.1 1,-0.1 -7,-0.1 -0.303 44.3 -95.9 -70.0 157.4 -4.3 0.3 32.3 242 251 A P - 0 0 28 0, 0.0 -10,-0.4 0, 0.0 2,-0.2 -0.336 46.4-101.3 -68.5 156.7 -0.7 1.1 31.5 243 252 A H - 0 0 25 -12,-0.1 2,-0.3 -3,-0.1 -12,-0.2 -0.559 42.9-150.8 -77.8 151.0 -0.1 4.7 30.2 244 253 A R E - E 0 230B 13 -14,-3.4 -14,-2.9 -2,-0.2 2,-0.2 -0.944 14.1-114.9-128.1 148.7 0.3 4.9 26.4 245 254 A R E - E 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