==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE/DNA 13-MAY-12 4F5P . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.D.FREUDENTHAL,W.A.BEARD,S.H.WILSON . 326 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 69.6 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 . 29 8.9 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 . 2 0.6 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 . 14 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 38.7 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 1 3 0 1 2 3 0 1 0 2 0 0 1 0 1 0 1 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 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 7 A P 0 0 100 0, 0.0 5,-0.1 0, 0.0 42,-0.1 0.000 360.0 360.0 360.0 158.5 19.3 -16.0 6.7 2 8 A Q >> - 0 0 73 1,-0.1 3,-0.9 2,-0.1 4,-0.5 -0.224 360.0-128.1 -59.3 148.3 20.4 -17.2 10.2 3 9 A E H 3> S+ 0 0 75 1,-0.2 4,-3.6 2,-0.2 3,-0.4 0.904 105.4 70.0 -64.8 -43.6 22.6 -14.9 12.2 4 10 A T H 34 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.769 89.4 72.4 -45.2 -26.4 25.2 -17.6 12.9 5 11 A L H <4 S- 0 0 49 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.982 131.7 -21.7 -52.1 -71.0 25.8 -17.1 9.1 6 12 A N H >X S+ 0 0 13 -4,-0.5 4,-2.6 -3,-0.4 3,-0.6 0.118 95.7 126.6-130.7 22.5 27.6 -13.8 9.3 7 13 A G H 3X S+ 0 0 10 -4,-3.6 4,-2.5 1,-0.3 5,-0.2 0.769 72.7 56.6 -54.2 -33.3 26.3 -12.4 12.6 8 14 A G H 3> S+ 0 0 33 -5,-0.2 4,-2.3 -4,-0.2 -1,-0.3 0.932 111.3 42.9 -63.9 -46.2 29.9 -11.8 13.9 9 15 A I H <> S+ 0 0 2 -3,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.955 115.6 47.8 -63.6 -52.4 30.6 -9.5 10.9 10 16 A T H X S+ 0 0 23 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.886 112.6 49.6 -60.8 -38.2 27.2 -7.8 11.0 11 17 A D H X S+ 0 0 112 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.923 111.1 49.8 -63.9 -44.7 27.6 -7.2 14.8 12 18 A M H X S+ 0 0 7 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.936 112.2 48.0 -56.1 -47.9 31.1 -5.8 14.2 13 19 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.883 110.9 49.9 -66.9 -37.5 29.8 -3.5 11.5 14 20 A T H X S+ 0 0 59 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.901 109.5 51.3 -67.7 -38.9 26.9 -2.2 13.6 15 21 A E H X S+ 0 0 48 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.913 110.8 48.9 -63.0 -42.8 29.1 -1.5 16.6 16 22 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.924 108.5 54.6 -60.0 -45.2 31.4 0.5 14.3 17 23 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.933 107.7 50.3 -52.0 -48.4 28.4 2.3 12.9 18 24 A N H X S+ 0 0 52 -4,-2.3 4,-2.8 1,-0.2 5,-0.4 0.889 108.7 49.8 -64.4 -41.0 27.4 3.3 16.4 19 25 A F H X>S+ 0 0 15 -4,-2.1 5,-2.3 2,-0.2 4,-1.9 0.888 110.5 51.3 -63.6 -37.7 30.8 4.7 17.4 20 26 A E H <>S+ 0 0 24 -4,-2.3 6,-2.9 3,-0.2 5,-0.5 0.932 116.8 39.8 -62.8 -45.7 30.9 6.8 14.1 21 27 A K H <5S+ 0 0 59 -4,-2.3 4,-0.2 4,-0.2 -2,-0.2 0.976 127.1 30.0 -67.4 -53.6 27.5 8.3 14.8 22 28 A N H <5S+ 0 0 8 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.799 133.9 21.3 -84.6 -32.1 27.8 8.8 18.6 23 29 A V T <5S+ 0 0 20 -4,-1.9 -3,-0.2 -5,-0.4 -4,-0.1 0.866 130.4 34.8-103.3 -54.4 31.5 9.5 19.2 24 30 A S T + 0 0 25 -6,-2.9 4,-2.3 1,-0.2 3,-0.5 -0.783 23.4 176.6-117.9 83.8 30.3 11.1 11.3 27 33 A I H > S+ 0 0 78 -2,-0.6 4,-2.3 1,-0.3 -1,-0.2 0.828 77.4 53.0 -63.9 -34.9 26.8 10.5 10.2 28 34 A H H > S+ 0 0 152 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.837 109.4 48.9 -72.2 -31.6 27.6 9.4 6.7 29 35 A K H > S+ 0 0 122 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.876 107.7 56.2 -71.1 -39.3 30.1 6.8 7.9 30 36 A Y H X S+ 0 0 38 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.964 110.5 44.0 -52.0 -52.2 27.4 5.6 10.3 31 37 A N H X S+ 0 0 68 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.843 110.0 56.3 -64.1 -33.5 25.1 5.1 7.3 32 38 A A H X S+ 0 0 50 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.942 110.1 44.5 -62.1 -45.8 27.9 3.4 5.3 33 39 A Y H X S+ 0 0 24 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.910 113.5 50.7 -66.9 -40.4 28.5 0.9 8.0 34 40 A R H X S+ 0 0 106 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.917 109.6 50.2 -62.8 -42.9 24.8 0.3 8.4 35 41 A K H X S+ 0 0 130 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.922 112.2 47.5 -59.9 -45.8 24.3 -0.2 4.6 36 42 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 22,-0.3 -1,-0.2 0.887 111.1 52.0 -60.7 -40.2 27.2 -2.7 4.6 37 43 A A H X S+ 0 0 8 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.922 111.1 47.6 -63.4 -43.3 25.7 -4.5 7.6 38 44 A S H X S+ 0 0 60 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.944 111.4 46.8 -63.7 -53.1 22.3 -4.8 5.9 39 45 A V H X S+ 0 0 35 -4,-2.3 4,-0.6 1,-0.2 3,-0.3 0.898 115.7 47.9 -60.6 -37.6 23.5 -6.1 2.5 40 46 A I H >< S+ 0 0 1 -4,-1.9 3,-0.6 -5,-0.3 -1,-0.2 0.858 105.7 58.3 -69.5 -34.7 25.6 -8.6 4.4 41 47 A A H 3< S+ 0 0 52 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.785 109.5 45.2 -63.3 -27.3 22.7 -9.6 6.7 42 48 A K H 3< S+ 0 0 114 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.555 84.3 112.1 -93.6 -11.6 20.8 -10.6 3.5 43 49 A Y << - 0 0 44 -4,-0.6 2,-0.3 -3,-0.6 4,-0.1 -0.509 61.8-147.6 -67.8 123.3 23.6 -12.5 1.9 44 50 A P + 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.078 69.9 68.5 -91.0 35.5 22.6 -16.2 1.9 45 51 A H S S- 0 0 106 -2,-0.3 2,-0.6 -44,-0.0 -2,-0.1 -0.991 88.5-104.6-146.6 149.0 26.1 -17.6 2.3 46 52 A K - 0 0 123 -2,-0.3 2,-0.2 1,-0.1 -40,-0.1 -0.640 46.4-121.5 -72.6 117.2 28.7 -17.7 5.1 47 53 A I - 0 0 4 -2,-0.6 3,-0.1 1,-0.1 -1,-0.1 -0.426 29.8-176.4 -67.4 130.0 31.3 -15.2 4.0 48 54 A K + 0 0 181 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.619 63.2 11.5-101.5 -17.9 34.8 -16.7 3.6 49 55 A S > - 0 0 41 1,-0.1 4,-1.6 22,-0.0 -1,-0.2 -0.989 67.3-113.2-155.7 161.2 36.8 -13.6 2.7 50 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 15,-0.1 0.881 117.1 58.8 -61.3 -39.3 36.8 -9.8 2.5 51 57 A A H > S+ 0 0 68 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.904 103.2 51.6 -56.8 -42.9 37.0 -10.2 -1.3 52 58 A E H >4 S+ 0 0 29 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.920 112.2 46.1 -61.6 -44.0 33.8 -12.2 -1.3 53 59 A A H >< S+ 0 0 0 -4,-1.6 3,-2.2 1,-0.2 6,-0.2 0.854 100.5 67.2 -67.8 -33.9 32.0 -9.4 0.7 54 60 A K H 3< S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.725 86.5 70.7 -62.6 -19.7 33.5 -6.6 -1.5 55 61 A K T << S+ 0 0 169 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.624 84.4 87.1 -71.5 -11.7 31.3 -7.9 -4.4 56 62 A L S X S- 0 0 28 -3,-2.2 3,-1.8 -4,-0.1 2,-0.3 -0.685 93.5-101.6 -91.5 143.0 28.2 -6.6 -2.6 57 63 A P T 3 S+ 0 0 95 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.456 108.9 26.0 -63.7 123.4 27.0 -3.0 -3.0 58 64 A G T 3 S+ 0 0 34 -2,-0.3 2,-0.6 1,-0.2 -22,-0.3 0.179 95.8 103.1 109.3 -16.4 28.0 -1.0 -0.0 59 65 A V < + 0 0 7 -3,-1.8 -1,-0.2 -6,-0.2 2,-0.1 -0.900 50.3 169.1-101.7 116.5 31.0 -3.1 1.0 60 66 A G > - 0 0 30 -2,-0.6 4,-2.0 -3,-0.1 5,-0.2 -0.225 48.7 -67.5-113.6-161.3 34.3 -1.5 -0.0 61 67 A T H > S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.899 124.8 46.5 -60.8 -46.7 38.0 -1.8 0.4 62 68 A K H > S+ 0 0 142 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.900 113.0 47.3 -68.2 -42.2 38.2 -0.9 4.2 63 69 A I H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.906 109.0 56.4 -66.9 -37.0 35.3 -3.1 5.3 64 70 A A H X S+ 0 0 9 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.911 108.2 48.0 -56.8 -42.4 36.8 -6.0 3.2 65 71 A E H X S+ 0 0 116 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.874 110.8 50.6 -65.9 -38.5 40.1 -5.5 5.2 66 72 A K H X S+ 0 0 20 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.901 108.8 51.9 -66.9 -39.1 38.1 -5.5 8.5 67 73 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.892 107.2 53.1 -65.1 -38.5 36.3 -8.7 7.5 68 74 A D H X S+ 0 0 80 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.906 111.4 45.8 -62.0 -42.4 39.7 -10.4 6.8 69 75 A E H X>S+ 0 0 63 -4,-1.9 4,-2.4 2,-0.2 5,-0.5 0.938 113.2 49.2 -66.6 -46.6 40.9 -9.4 10.2 70 76 A F H X5S+ 0 0 49 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.909 113.2 47.7 -58.4 -42.5 37.7 -10.6 11.9 71 77 A L H <5S+ 0 0 64 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.891 116.3 42.1 -68.7 -39.8 37.8 -13.9 10.0 72 78 A A H <5S+ 0 0 89 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.844 132.9 19.2 -74.6 -33.3 41.5 -14.7 10.8 73 79 A T H <5S- 0 0 79 -4,-2.4 -3,-0.2 2,-0.3 -2,-0.2 0.626 92.5-124.0-116.6 -20.5 41.5 -13.6 14.4 74 80 A G S <> - 0 0 8 -2,-0.3 4,-2.7 1,-0.1 3,-0.6 -0.974 18.1-149.3-127.0 115.0 38.9 -6.4 15.5 77 83 A R H 3> S+ 0 0 179 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.900 96.4 49.1 -49.0 -48.0 41.7 -4.7 17.4 78 84 A K H 3> S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.839 112.5 47.8 -70.0 -28.4 40.4 -1.1 17.0 79 85 A L H <> S+ 0 0 3 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.900 108.9 53.9 -75.6 -40.4 37.0 -2.2 18.2 80 86 A E H X S+ 0 0 74 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.925 111.9 46.5 -55.4 -44.2 38.5 -4.0 21.2 81 87 A K H X S+ 0 0 129 -4,-2.5 4,-0.7 -5,-0.2 3,-0.4 0.923 110.5 50.7 -65.8 -46.8 40.3 -0.8 22.0 82 88 A I H >< S+ 0 0 39 -4,-2.2 3,-1.2 1,-0.2 7,-0.3 0.921 106.0 58.1 -56.3 -44.1 37.2 1.4 21.6 83 89 A R H 3< S+ 0 0 117 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.840 108.1 43.8 -56.1 -39.6 35.2 -0.9 23.9 84 90 A Q H 3< S+ 0 0 110 -4,-1.2 2,-0.6 -3,-0.4 -1,-0.3 0.526 86.8 108.3 -87.8 -5.5 37.6 -0.5 26.9 85 91 A D S+ 0 0 88 -2,-0.6 4,-1.9 1,-0.2 5,-0.2 0.889 91.1 46.3 -60.3 -42.3 36.0 4.8 29.3 87 93 A T H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.964 117.3 41.5 -66.0 -51.6 35.3 8.1 27.5 88 94 A S H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.913 116.3 48.5 -63.3 -44.1 34.2 6.5 24.2 89 95 A S H X S+ 0 0 41 -4,-2.9 4,-2.0 -7,-0.3 -1,-0.2 0.877 113.5 47.8 -66.9 -37.5 32.1 3.8 25.8 90 96 A S H X S+ 0 0 12 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.907 111.5 49.1 -68.3 -44.8 30.4 6.3 28.1 91 97 A I H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.958 112.8 48.5 -58.2 -49.2 29.6 8.8 25.3 92 98 A N H < S+ 0 0 32 -4,-2.5 3,-0.3 1,-0.2 4,-0.2 0.900 112.1 49.6 -59.8 -41.4 28.2 5.9 23.2 93 99 A F H >< S+ 0 0 51 -4,-2.0 3,-2.1 1,-0.2 4,-0.2 0.923 103.9 57.0 -64.9 -47.0 26.1 4.7 26.1 94 100 A L H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.800 94.2 68.5 -57.5 -28.6 24.6 8.1 27.0 95 101 A T T 3< S+ 0 0 23 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.615 81.0 75.8 -69.9 -10.1 23.2 8.5 23.5 96 102 A R T < S+ 0 0 121 -3,-2.1 2,-0.5 -4,-0.2 -1,-0.3 0.651 76.4 92.4 -71.6 -14.3 20.8 5.6 24.2 97 103 A V S X S- 0 0 1 -3,-1.9 3,-2.0 -4,-0.2 2,-0.2 -0.717 91.7-116.6 -77.3 124.5 18.8 8.2 26.3 98 104 A S T 3 S+ 0 0 41 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.449 102.4 26.3 -64.0 130.1 16.2 9.7 24.0 99 105 A G T 3 S+ 0 0 33 1,-0.2 2,-0.8 -2,-0.2 -1,-0.3 0.136 98.0 100.7 99.4 -21.9 17.0 13.4 23.6 100 106 A I < + 0 0 6 -3,-2.0 -1,-0.2 -6,-0.2 -3,-0.1 -0.887 51.1 172.5 -96.3 110.9 20.7 12.9 24.3 101 107 A G > - 0 0 29 -2,-0.8 4,-2.6 -3,-0.1 5,-0.2 -0.287 52.8 -73.9 -99.3-166.0 22.6 13.0 21.0 102 108 A P H > S+ 0 0 39 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.857 129.5 51.1 -60.9 -36.1 26.3 13.0 20.2 103 109 A S H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.966 113.7 41.4 -69.2 -52.5 26.7 16.7 21.3 104 110 A A H > S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 114.0 53.9 -59.8 -43.6 25.0 16.4 24.7 105 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.909 108.1 49.9 -58.8 -44.3 26.7 13.0 25.4 106 112 A R H X S+ 0 0 80 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.937 111.8 47.9 -59.0 -46.8 30.1 14.5 24.7 107 113 A K H X S+ 0 0 134 -4,-2.1 4,-1.5 2,-0.2 6,-0.2 0.937 110.7 50.5 -64.1 -46.2 29.5 17.4 27.1 108 114 A F H ><>S+ 0 0 10 -4,-2.7 5,-2.4 1,-0.2 3,-0.8 0.961 112.9 46.0 -54.1 -52.5 28.1 15.2 29.9 109 115 A V H ><5S+ 0 0 9 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.893 105.9 60.4 -62.1 -39.8 31.2 12.9 29.7 110 116 A D H 3<5S+ 0 0 116 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.846 108.5 45.3 -51.6 -37.0 33.6 15.9 29.6 111 117 A E T <<5S- 0 0 96 -4,-1.5 -1,-0.3 -3,-0.8 -2,-0.2 0.195 127.1 -93.7-100.2 16.9 32.2 17.0 33.0 112 118 A G T < 5S+ 0 0 48 -3,-1.9 2,-0.9 1,-0.2 -3,-0.2 0.533 84.5 129.3 90.6 7.3 32.3 13.6 34.7 113 119 A I < + 0 0 7 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.835 19.1 141.3 -99.6 102.4 28.7 12.6 34.0 114 120 A K + 0 0 66 -2,-0.9 2,-0.3 -3,-0.1 -1,-0.2 0.532 49.9 48.2-120.9 -14.2 29.0 9.1 32.5 115 121 A T S > S- 0 0 47 1,-0.1 4,-1.9 -22,-0.1 5,-0.1 -0.802 82.8-106.3-129.8 166.9 26.2 6.8 33.8 116 122 A L H > S+ 0 0 24 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.873 122.4 58.1 -60.2 -34.6 22.4 6.9 34.2 117 123 A E H > S+ 0 0 99 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 104.8 48.3 -60.5 -44.8 23.2 7.3 37.9 118 124 A D H 4 S+ 0 0 31 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.862 110.4 52.8 -63.7 -37.2 25.2 10.5 37.2 119 125 A L H >< S+ 0 0 1 -4,-1.9 3,-1.4 2,-0.2 -2,-0.2 0.938 106.9 51.7 -62.0 -46.4 22.3 11.7 35.1 120 126 A R H >< S+ 0 0 151 -4,-2.7 3,-0.7 1,-0.3 -2,-0.2 0.890 109.4 50.7 -56.8 -41.2 19.8 11.1 37.9 121 127 A K T 3< S+ 0 0 156 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.583 111.6 50.8 -70.9 -12.5 22.1 13.1 40.2 122 128 A N T X + 0 0 37 -3,-1.4 3,-2.0 -4,-0.5 4,-0.3 -0.197 60.2 144.5-125.2 46.8 22.2 15.9 37.7 123 129 A E G X + 0 0 126 -3,-0.7 3,-2.1 1,-0.3 -1,-0.1 0.827 68.4 63.9 -52.5 -40.5 18.5 16.7 36.8 124 130 A D G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.700 99.0 56.2 -61.2 -18.8 19.1 20.5 36.4 125 131 A K G < S+ 0 0 87 -3,-2.0 2,-0.4 -6,-0.2 -1,-0.3 0.516 93.9 84.7 -91.8 -5.7 21.5 19.8 33.5 126 132 A L S < S- 0 0 5 -3,-2.1 2,-0.0 -4,-0.3 -26,-0.0 -0.804 71.4-138.0 -99.7 135.5 18.9 17.8 31.5 127 133 A N > - 0 0 83 -2,-0.4 4,-2.2 -28,-0.1 5,-0.2 -0.256 38.8 -90.7 -79.0 176.9 16.3 19.5 29.2 128 134 A H H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.921 126.0 47.4 -58.0 -49.4 12.6 18.3 29.2 129 135 A H H > S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.938 112.1 51.1 -57.0 -47.8 13.0 15.7 26.4 130 136 A Q H > S+ 0 0 14 -31,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.871 107.0 53.0 -61.6 -38.6 16.2 14.3 28.1 131 137 A R H X S+ 0 0 92 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.907 110.9 47.6 -62.8 -41.8 14.4 13.9 31.5 132 138 A I H X S+ 0 0 12 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.916 110.5 51.6 -64.0 -43.6 11.6 11.9 29.8 133 139 A G H < S+ 0 0 0 -4,-2.6 -35,-0.2 -35,-0.4 -2,-0.2 0.880 112.7 45.8 -61.5 -38.2 14.2 9.8 28.0 134 140 A L H >< S+ 0 0 30 -4,-2.3 3,-1.8 -5,-0.2 4,-0.3 0.930 109.6 54.6 -67.7 -47.2 15.9 9.0 31.3 135 141 A K H 3< S+ 0 0 141 -4,-2.6 3,-0.2 1,-0.3 -2,-0.2 0.900 121.5 29.6 -54.2 -43.5 12.7 8.3 33.1 136 142 A Y T 3X S+ 0 0 13 -4,-2.3 4,-2.7 1,-0.2 -1,-0.3 -0.023 80.5 132.5-108.6 29.8 11.7 5.7 30.5 137 143 A F H <> S+ 0 0 25 -3,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.906 78.9 36.5 -49.3 -52.4 15.1 4.6 29.6 138 144 A G H >> S+ 0 0 43 -4,-0.3 3,-0.9 -3,-0.2 4,-0.6 0.899 115.3 53.8 -69.7 -42.3 14.4 0.9 29.8 139 145 A D H >4 S+ 0 0 36 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.900 103.3 56.6 -60.4 -42.4 10.8 1.1 28.5 140 146 A F H 3< S+ 0 0 42 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.694 103.5 55.1 -66.8 -16.7 11.9 2.9 25.3 141 147 A E H << S+ 0 0 93 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.585 90.9 92.3 -92.2 -9.0 14.3 0.0 24.5 142 148 A K S << S- 0 0 102 -3,-1.4 2,-0.2 -4,-0.6 -3,-0.0 -0.532 74.9-127.5 -79.2 148.6 11.5 -2.6 24.7 143 149 A R - 0 0 138 -2,-0.2 40,-0.2 102,-0.1 -2,-0.1 -0.493 19.2-117.8 -90.8 168.3 9.6 -3.6 21.5 144 150 A I E -A 182 0A 0 38,-3.2 38,-2.4 -2,-0.2 40,-0.1 -0.922 20.4-131.4-114.6 114.4 5.8 -3.6 21.2 145 151 A P E >> -A 181 0A 51 0, 0.0 4,-2.1 0, 0.0 3,-1.7 -0.369 22.7-120.9 -61.6 139.1 4.0 -6.8 20.5 146 152 A R H 3> S+ 0 0 54 34,-2.4 4,-2.6 1,-0.3 5,-0.2 0.808 113.3 61.9 -52.4 -34.5 1.4 -6.5 17.7 147 153 A E H 3> S+ 0 0 119 33,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.863 107.7 43.7 -61.1 -34.6 -1.3 -7.5 20.1 148 154 A E H <> S+ 0 0 32 -3,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.883 108.9 57.1 -75.3 -39.8 -0.5 -4.4 22.2 149 155 A M H X S+ 0 0 2 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.904 106.7 50.6 -55.0 -41.5 -0.3 -2.3 19.0 150 156 A L H X S+ 0 0 56 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.917 109.3 49.4 -62.8 -43.6 -3.8 -3.4 18.2 151 157 A Q H X S+ 0 0 59 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.882 113.5 48.3 -60.3 -38.5 -5.0 -2.4 21.7 152 158 A M H X S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.932 110.2 49.6 -67.2 -47.9 -3.3 0.9 21.2 153 159 A Q H X S+ 0 0 44 -4,-3.2 4,-2.9 1,-0.2 5,-0.4 0.913 106.6 58.1 -56.2 -43.2 -4.8 1.3 17.7 154 160 A D H X S+ 0 0 106 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.919 109.9 43.0 -52.8 -47.3 -8.2 0.6 19.3 155 161 A I H X S+ 0 0 37 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.935 114.2 50.1 -67.0 -46.1 -7.8 3.5 21.7 156 162 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.912 113.7 43.0 -61.5 -44.2 -6.5 5.9 19.1 157 163 A L H X S+ 0 0 68 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.893 115.1 50.9 -72.0 -38.6 -9.2 5.4 16.5 158 164 A N H X S+ 0 0 91 -4,-1.8 4,-1.6 -5,-0.4 -2,-0.2 0.945 114.2 42.0 -59.1 -51.9 -11.9 5.4 19.2 159 165 A E H X S+ 0 0 15 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.878 113.1 52.8 -69.7 -36.7 -10.8 8.6 20.8 160 166 A V H X S+ 0 0 5 -4,-2.2 4,-1.8 -5,-0.3 7,-0.2 0.940 111.1 46.6 -62.2 -45.7 -10.1 10.4 17.5 161 167 A K H < S+ 0 0 147 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.835 108.4 57.7 -65.6 -30.8 -13.6 9.6 16.2 162 168 A K H < S+ 0 0 118 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.860 105.6 49.9 -67.3 -36.7 -15.0 10.7 19.5 163 169 A V H < S- 0 0 42 -4,-1.8 2,-0.2 1,-0.3 -2,-0.2 0.915 139.1 -16.8 -67.5 -44.2 -13.4 14.2 19.0 164 170 A D >< - 0 0 49 -4,-1.8 3,-1.6 -5,-0.1 -1,-0.3 -0.805 55.8-145.7-164.9 119.7 -14.8 14.6 15.5 165 171 A S T 3 S+ 0 0 89 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.536 96.3 67.3 -72.3 -3.9 -16.2 11.8 13.4 166 172 A E T 3 S+ 0 0 116 -5,-0.1 -1,-0.3 2,-0.1 -5,-0.1 0.642 75.7 104.4 -90.1 -14.3 -14.8 13.4 10.2 167 173 A Y < - 0 0 16 -3,-1.6 2,-0.4 -7,-0.2 24,-0.2 -0.336 61.1-149.0 -55.7 145.7 -11.2 12.9 11.2 168 174 A I E -B 190 0B 54 22,-2.3 22,-2.3 2,-0.0 2,-0.4 -0.993 17.8-175.3-113.1 129.8 -9.4 10.1 9.3 169 175 A A E -B 189 0B 22 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.989 7.7-176.8-129.2 135.2 -6.7 8.3 11.2 170 176 A T E -B 188 0B 33 18,-2.5 18,-2.9 -2,-0.4 2,-0.6 -0.980 21.2-142.7-132.9 121.0 -4.2 5.6 10.1 171 177 A V E +B 187 0B 4 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.735 36.8 173.7 -77.2 119.7 -1.6 3.8 12.1 172 178 A C >> + 0 0 2 14,-2.8 4,-0.9 -2,-0.6 3,-0.5 0.134 27.3 74.4-106.8-142.6 1.3 3.4 9.8 173 179 A G H >> S- 0 0 10 91,-2.6 4,-1.1 1,-0.2 3,-0.7 -0.144 109.8 -29.2 65.0-162.9 4.9 2.1 10.1 174 180 A S H 34>S+ 0 0 28 1,-0.2 5,-2.2 2,-0.2 -1,-0.2 0.801 134.0 66.5 -57.6 -31.6 5.8 -1.6 10.4 175 181 A F H X45S+ 0 0 8 -3,-0.5 3,-1.8 1,-0.2 -1,-0.2 0.928 99.1 48.9 -55.9 -47.8 2.4 -2.2 12.1 176 182 A R H <<5S+ 0 0 62 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.829 105.4 59.3 -64.8 -29.2 0.5 -1.4 8.9 177 183 A R T 3<5S- 0 0 70 -4,-1.1 -1,-0.3 88,-0.2 -2,-0.2 0.454 124.3-106.0 -77.4 -0.1 2.9 -3.7 7.0 178 184 A G T < 5 + 0 0 33 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.648 58.7 168.1 88.7 17.6 1.7 -6.5 9.3 179 185 A A < - 0 0 31 -5,-2.2 -1,-0.2 1,-0.1 3,-0.1 -0.224 38.9-135.3 -62.8 151.9 4.7 -6.9 11.6 180 186 A E S S+ 0 0 147 1,-0.2 -34,-2.4 -35,-0.1 2,-0.3 0.547 89.4 24.9 -88.8 -7.6 4.4 -8.9 14.8 181 187 A S E -A 145 0A 42 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.986 67.9-161.7-148.6 153.0 6.3 -6.3 16.8 182 188 A S E -A 144 0A 1 -38,-2.4 -38,-3.2 -2,-0.3 3,-0.1 -0.896 22.0-141.2-129.3 159.3 6.9 -2.5 16.5 183 189 A G S S- 0 0 40 -2,-0.3 63,-0.4 1,-0.2 2,-0.3 0.749 84.2 -24.5 -87.8 -27.1 9.4 -0.1 17.9 184 190 A D S S- 0 0 52 61,-0.1 2,-0.5 -40,-0.1 -1,-0.2 -0.921 73.3 -88.0-165.5-176.9 6.8 2.7 18.4 185 191 A M E - c 0 247B 0 61,-2.3 63,-2.6 -2,-0.3 2,-0.6 -0.954 28.4-166.1-117.6 129.5 3.4 3.9 17.1 186 192 A D E - c 0 248B 25 -2,-0.5 -14,-2.8 -14,-0.3 2,-0.5 -0.954 7.9-171.7-113.2 116.8 3.0 6.2 14.1 187 193 A V E -Bc 171 249B 4 61,-2.6 63,-2.8 -2,-0.6 2,-0.5 -0.911 8.3-160.3-115.0 123.4 -0.4 7.8 13.6 188 194 A L E -Bc 170 250B 0 -18,-2.9 -18,-2.5 -2,-0.5 2,-0.4 -0.873 16.0-170.8 -99.4 133.9 -1.3 9.9 10.5 189 195 A L E +Bc 169 251B 0 61,-3.2 63,-2.7 -2,-0.5 2,-0.3 -0.950 10.7 166.8-127.8 141.1 -4.3 12.2 10.9 190 196 A T E -B 168 0B 0 -22,-2.3 -22,-2.3 -2,-0.4 5,-0.1 -0.933 12.7-165.3-145.6 172.4 -6.3 14.3 8.5 191 197 A H > - 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