==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-FEB-13 3W7F . COMPND 2 MOLECULE: DEHYDROSQUALENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.I.LIU,W.Y.JENG,A.H.WANG,E.OLDFIELD . 568 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 20 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 345 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 0 3 2 0 0 0 4 2 2 0 0 4 0 0 0 2 1 2 3 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 154 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.5 47.8 -18.2 -4.1 2 2 A T > - 0 0 81 1,-0.1 4,-1.4 4,-0.0 0, 0.0 -0.217 360.0-106.9 -72.4 167.5 44.6 -19.2 -2.4 3 3 A M H >> S+ 0 0 128 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.939 120.7 51.9 -61.6 -48.5 42.6 -16.9 -0.2 4 4 A M H 3> S+ 0 0 55 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.903 104.7 57.2 -54.4 -44.5 43.6 -18.6 3.0 5 5 A D H 3> S+ 0 0 58 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.896 106.1 51.6 -51.2 -43.1 47.3 -18.3 1.9 6 6 A M H S+ 0 0 29 2,-0.1 4,-2.6 1,-0.1 5,-0.3 0.603 95.3 82.0-106.9 -12.7 61.5 -12.8 16.8 23 23 A S H X S+ 0 0 11 -4,-2.0 4,-1.6 -8,-0.3 5,-0.1 0.952 96.5 50.7 -54.0 -52.0 60.2 -12.6 13.2 24 24 A Y H 4 S+ 0 0 64 -5,-0.3 4,-0.3 -4,-0.3 -1,-0.2 0.910 113.6 45.2 -50.2 -49.8 63.7 -13.6 11.9 25 25 A A H >4 S+ 0 0 0 -4,-0.4 3,-1.6 1,-0.2 4,-0.2 0.956 112.8 45.6 -64.9 -53.1 63.8 -16.6 14.3 26 26 A F H >< S+ 0 0 24 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.672 100.0 68.5 -69.3 -16.7 60.3 -18.1 13.8 27 27 A D T 3< S+ 0 0 31 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.618 85.3 72.5 -77.4 -7.0 60.4 -17.8 10.1 28 28 A L T < S+ 0 0 67 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.638 78.8 101.8 -79.6 -12.6 63.0 -20.5 10.0 29 29 A L S < S- 0 0 6 -3,-1.1 208,-0.1 -4,-0.2 5,-0.1 -0.207 89.9 -84.8 -70.6 163.0 60.4 -23.1 10.9 30 30 A P > - 0 0 53 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.307 52.2-100.5 -61.2 154.9 58.9 -25.5 8.4 31 31 A E H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.879 117.0 49.0 -43.9 -62.2 55.9 -23.8 6.5 32 32 A D H > S+ 0 0 134 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.883 116.0 44.4 -51.3 -44.5 52.9 -25.4 8.4 33 33 A Q H > S+ 0 0 30 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.840 113.7 47.6 -70.4 -36.1 54.4 -24.5 11.8 34 34 A R H X S+ 0 0 64 -4,-2.3 4,-2.0 -3,-0.3 -1,-0.2 0.799 107.8 56.2 -80.7 -20.3 55.5 -21.0 11.0 35 35 A K H X S+ 0 0 31 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.918 107.9 49.0 -72.5 -40.4 52.1 -20.2 9.4 36 36 A A H X S+ 0 0 8 -4,-1.6 4,-2.7 -5,-0.3 -2,-0.2 0.892 109.8 51.6 -63.2 -42.5 50.4 -21.1 12.6 37 37 A V H X S+ 0 0 4 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.895 106.4 53.4 -61.7 -44.8 52.8 -19.0 14.7 38 38 A W H X S+ 0 0 11 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.902 110.7 49.1 -56.2 -42.2 52.2 -15.9 12.5 39 39 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.949 112.9 45.6 -62.0 -49.4 48.4 -16.5 13.1 40 40 A I H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.914 114.6 48.1 -60.6 -41.8 49.0 -16.7 16.8 41 41 A Y H X S+ 0 0 39 -4,-3.1 4,-3.1 2,-0.2 5,-0.2 0.920 110.2 51.2 -62.9 -49.1 51.3 -13.7 16.9 42 42 A A H X S+ 0 0 0 -4,-3.1 4,-2.0 -5,-0.2 5,-0.2 0.913 111.9 47.9 -58.4 -38.9 48.9 -11.6 14.8 43 43 A V H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.942 115.3 44.1 -66.3 -46.9 46.1 -12.5 17.2 44 44 A C H X S+ 0 0 16 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.866 113.0 52.3 -63.5 -39.3 48.2 -11.7 20.3 45 45 A R H X S+ 0 0 55 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.797 109.0 49.0 -64.9 -37.8 49.5 -8.5 18.7 46 46 A K H X S+ 0 0 12 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.852 112.6 49.8 -71.7 -37.7 46.0 -7.2 17.9 47 47 A I H X S+ 0 0 0 -4,-1.9 4,-0.6 -5,-0.2 -2,-0.2 0.953 112.2 45.2 -65.4 -49.5 45.0 -8.0 21.4 48 48 A D H X S+ 0 0 49 -4,-2.6 4,-0.9 1,-0.2 3,-0.3 0.849 120.3 40.7 -63.1 -36.4 48.0 -6.2 23.0 49 49 A D H X>S+ 0 0 6 -4,-2.0 5,-2.3 3,-0.2 4,-1.6 0.728 88.8 92.4 -82.3 -23.1 47.6 -3.2 20.7 50 50 A S H <5S+ 0 0 0 -4,-2.0 6,-0.5 1,-0.2 -1,-0.2 0.849 112.1 8.0 -37.9 -50.1 43.7 -3.1 20.9 51 51 A I H X5S+ 0 0 13 -4,-0.6 4,-1.9 -3,-0.3 -1,-0.2 0.889 128.4 56.3 -98.7 -55.9 44.1 -0.7 23.8 52 52 A D H <5S+ 0 0 73 -4,-0.9 -3,-0.2 1,-0.2 -2,-0.1 0.868 128.0 17.1 -44.5 -47.4 47.8 0.3 24.1 53 53 A V T <5S+ 0 0 14 -4,-1.6 -3,-0.2 -5,-0.2 -1,-0.2 0.877 138.7 29.2-101.2 -45.0 47.8 1.5 20.5 54 54 A Y T 4 + 0 0 55 -6,-0.5 4,-1.1 -2,-0.4 -1,-0.2 -0.282 26.5 170.5 -53.5 101.3 40.0 0.8 21.4 57 57 A I H > S+ 0 0 70 -2,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.730 81.2 56.6 -85.1 -24.8 38.2 -1.3 24.1 58 58 A Q H > S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.866 104.4 54.1 -71.0 -38.9 35.3 -2.3 21.9 59 59 A F H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.928 106.7 50.9 -62.6 -44.6 37.8 -3.7 19.4 60 60 A L H X S+ 0 0 2 -4,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.860 108.2 52.5 -60.9 -37.3 39.3 -5.9 22.2 61 61 A N H X S+ 0 0 70 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.851 108.4 51.6 -66.1 -35.7 35.8 -7.1 23.1 62 62 A Q H X S+ 0 0 41 -4,-1.9 4,-3.0 2,-0.2 20,-0.3 0.921 106.3 53.2 -68.2 -41.1 35.3 -8.1 19.5 63 63 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.947 110.5 48.1 -58.5 -45.5 38.5 -10.1 19.4 64 64 A K H X S+ 0 0 56 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.919 111.9 49.4 -60.9 -44.2 37.3 -12.0 22.5 65 65 A E H X S+ 0 0 81 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.908 110.1 50.9 -59.6 -44.4 34.0 -12.6 20.9 66 66 A D H X S+ 0 0 1 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.896 111.3 46.7 -61.5 -43.4 35.6 -13.9 17.7 67 67 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.901 110.8 54.3 -68.6 -38.2 37.9 -16.3 19.6 68 68 A Q H X S+ 0 0 81 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.847 106.0 52.4 -61.7 -35.8 34.9 -17.5 21.5 69 69 A S H X S+ 0 0 38 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.839 109.8 48.1 -67.1 -39.5 33.0 -18.2 18.2 70 70 A I H < S+ 0 0 0 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.884 109.1 53.5 -70.7 -39.0 35.9 -20.3 16.9 71 71 A E H < S+ 0 0 94 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.853 117.3 36.2 -64.5 -36.8 36.1 -22.3 20.2 72 72 A K H < S+ 0 0 149 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.858 133.0 23.0 -85.2 -41.3 32.4 -23.2 20.1 73 73 A Y >< + 0 0 110 -4,-2.3 3,-1.1 -5,-0.1 -1,-0.2 -0.602 65.8 168.3-128.0 68.3 31.8 -23.7 16.4 74 74 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 0.716 81.1 42.9 -53.7 -19.3 35.3 -24.5 14.9 75 75 A Y T 3 S+ 0 0 156 -3,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.592 91.0 92.0-110.5 -10.1 33.6 -25.5 11.7 76 76 A E S < S- 0 0 111 -3,-1.1 2,-0.5 -7,-0.2 -3,-0.1 -0.404 80.5-107.8 -79.0 161.2 30.9 -22.9 11.0 77 77 A Y - 0 0 130 -2,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.773 41.1-160.3 -89.1 131.7 31.5 -19.8 8.9 78 78 A H - 0 0 19 -2,-0.5 2,-1.4 -3,-0.0 -12,-0.0 -0.924 25.7-134.3-118.3 143.3 31.6 -16.7 11.1 79 79 A H - 0 0 161 -2,-0.4 2,-0.2 2,-0.0 -2,-0.0 -0.750 37.8-147.6 -91.2 91.1 31.2 -13.1 10.4 80 80 A F - 0 0 21 -2,-1.4 4,-0.2 1,-0.1 -17,-0.1 -0.426 11.7-159.1 -65.4 130.3 34.2 -12.1 12.4 81 81 A Q S S+ 0 0 88 -19,-0.3 -18,-0.1 -2,-0.2 -1,-0.1 0.699 77.2 41.6 -85.6 -20.9 33.8 -8.6 14.1 82 82 A S S S- 0 0 21 -20,-0.3 2,-0.6 1,-0.2 -19,-0.1 0.803 127.3 -17.7 -93.1 -95.6 37.5 -7.8 14.7 83 83 A D > - 0 0 21 1,-0.1 4,-2.3 -21,-0.0 3,-0.3 -0.935 58.9-161.8-117.6 107.4 40.0 -8.5 12.0 84 84 A R H > S+ 0 0 106 -2,-0.6 4,-2.4 -4,-0.2 5,-0.2 0.851 84.9 51.4 -55.3 -47.3 38.7 -11.1 9.5 85 85 A R H > S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.887 113.2 44.8 -61.9 -38.9 42.0 -12.3 8.0 86 86 A I H > S+ 0 0 2 -3,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.925 113.5 49.4 -70.6 -46.7 43.6 -13.0 11.3 87 87 A M H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.870 110.0 52.1 -64.4 -32.5 40.5 -14.8 12.7 88 88 A M H X S+ 0 0 13 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.901 110.7 47.7 -67.5 -43.5 40.2 -16.9 9.5 89 89 A A H X S+ 0 0 0 -4,-1.6 4,-2.8 -5,-0.2 -2,-0.2 0.945 113.0 49.7 -63.4 -40.4 43.8 -18.0 9.9 90 90 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.916 111.0 47.0 -66.7 -40.0 43.2 -18.7 13.5 91 91 A Q H X S+ 0 0 13 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.886 109.9 55.3 -65.7 -36.2 40.1 -20.8 12.9 92 92 A H H >< S+ 0 0 54 -4,-2.4 3,-1.5 1,-0.2 4,-0.3 0.990 110.1 45.4 -61.8 -50.2 42.1 -22.6 10.2 93 93 A V H >X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.3 3,-2.0 0.893 106.9 59.5 -58.3 -38.2 44.8 -23.4 12.8 94 94 A A H 3< S+ 0 0 17 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.712 97.2 61.2 -65.9 -16.4 42.2 -24.5 15.4 95 95 A Q T << S+ 0 0 56 -3,-1.5 -1,-0.3 -4,-1.0 -2,-0.2 0.523 116.6 30.0 -85.3 -5.6 40.9 -27.2 13.0 96 96 A H T <4 S+ 0 0 125 -3,-2.0 2,-0.3 -4,-0.3 -2,-0.2 0.557 121.5 43.2-123.8 -23.1 44.3 -28.9 13.0 97 97 A K S < S- 0 0 65 -4,-2.4 2,-1.1 0, 0.0 -1,-0.2 -0.848 82.6-107.5-128.0 165.0 45.7 -28.1 16.4 98 98 A N - 0 0 89 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.1 -0.692 38.2-159.3 -92.9 81.4 44.5 -28.1 20.0 99 99 A I - 0 0 13 -2,-1.1 2,-2.0 -5,-0.2 3,-0.2 -0.409 16.5-134.8 -65.5 125.0 44.3 -24.3 20.8 100 100 A A >> + 0 0 26 -2,-0.2 3,-1.8 1,-0.2 4,-0.9 -0.581 28.9 179.6 -79.9 81.6 44.3 -23.5 24.6 101 101 A F H 3> S+ 0 0 27 -2,-2.0 4,-2.0 1,-0.3 3,-0.4 0.849 74.2 63.0 -54.4 -33.9 41.5 -21.0 24.3 102 102 A Q H 3> S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.811 97.3 59.2 -64.2 -25.0 41.6 -20.3 28.0 103 103 A S H <> S+ 0 0 6 -3,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.892 103.1 49.5 -72.8 -39.2 45.1 -18.9 27.5 104 104 A F H X S+ 0 0 1 -4,-0.9 4,-2.6 -3,-0.4 -1,-0.2 0.893 111.6 51.8 -62.4 -39.9 44.0 -16.3 25.0 105 105 A Y H X S+ 0 0 14 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.877 108.8 49.1 -63.8 -39.7 41.3 -15.3 27.6 106 106 A N H X S+ 0 0 40 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.915 112.0 49.2 -64.1 -40.9 43.9 -15.0 30.3 107 107 A L H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.927 110.6 50.4 -63.1 -44.6 46.0 -12.8 28.0 108 108 A I H X S+ 0 0 7 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.925 110.4 49.1 -61.3 -45.9 42.9 -10.7 27.2 109 109 A D H X S+ 0 0 63 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.839 112.4 48.8 -63.3 -30.7 42.1 -10.2 30.9 110 110 A T H < S+ 0 0 27 -4,-1.7 4,-0.3 22,-0.2 -2,-0.2 0.858 111.1 48.4 -77.6 -35.8 45.7 -9.2 31.6 111 111 A V H >< S+ 0 0 7 -4,-2.4 3,-1.0 2,-0.2 -2,-0.2 0.925 113.8 48.9 -69.3 -43.4 45.9 -6.8 28.8 112 112 A Y H >< S+ 0 0 91 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.977 106.3 53.3 -58.9 -57.4 42.6 -5.3 29.9 113 113 A K G >< S+ 0 0 129 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.585 90.3 82.0 -55.2 -8.3 43.6 -4.9 33.6 114 114 A D G < S+ 0 0 27 -3,-1.0 3,-0.4 -4,-0.3 -1,-0.3 0.371 78.0 67.0 -83.0 11.1 46.6 -3.0 32.4 115 115 A Q G < S+ 0 0 91 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.347 98.6 50.9-105.6 -0.4 44.4 0.1 32.1 116 116 A H S < S- 0 0 108 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.1 -0.313 90.5-177.7-121.8 35.3 44.1 0.2 35.9 117 117 A F + 0 0 49 -3,-0.4 2,-0.4 1,-0.0 -3,-0.1 -0.165 7.3 172.8 -48.7 125.2 47.8 -0.1 36.1 118 118 A T - 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0 0 34 -2,-0.4 -62,-0.4 -3,-0.1 -9,-0.0 -0.985 3.4-175.4-128.7 115.6 57.4 0.6 36.4 183 183 A Y + 0 0 27 -2,-0.4 -1,-0.1 -14,-0.1 -63,-0.1 0.640 54.3 99.8 -91.0 -11.5 57.3 -3.2 36.5 184 184 A F S S- 0 0 3 1,-0.1 -64,-0.3 -15,-0.1 2,-0.2 -0.351 81.9-108.9 -65.2 154.3 59.8 -3.7 39.3 185 185 A S > - 0 0 0 1,-0.1 4,-2.3 -66,-0.1 -64,-0.2 -0.528 11.0-126.2 -87.6 156.7 58.0 -4.4 42.6 186 186 A K H > S+ 0 0 107 -66,-2.5 4,-2.9 2,-0.2 5,-0.4 0.881 110.4 56.5 -65.8 -39.2 57.8 -2.0 45.5 187 187 A Q H > S+ 0 0 59 -66,-1.5 4,-2.6 -67,-0.2 -1,-0.2 0.995 116.4 35.5 -56.3 -56.9 59.1 -4.6 47.9 188 188 A R H > S+ 0 0 37 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.792 115.2 56.0 -68.4 -26.6 62.2 -5.0 45.8 189 189 A L H <>S+ 0 0 13 -4,-2.3 5,-2.2 2,-0.2 4,-0.3 0.924 111.8 43.2 -71.9 -41.6 62.4 -1.4 44.8 190 190 A K H ><5S+ 0 0 148 -4,-2.9 3,-1.8 3,-0.2 -2,-0.2 0.960 110.6 56.8 -65.2 -50.3 62.5 -0.3 48.5 191 191 A Q H 3<5S+ 0 0 98 -4,-2.6 -1,-0.2 -5,-0.4 -2,-0.2 0.810 114.7 36.8 -54.2 -33.1 65.0 -3.1 49.3 192 192 A Y T 3<5S- 0 0 53 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.395 110.4-124.3-100.2 4.1 67.5 -1.8 46.8 193 193 A E T < 5 + 0 0 139 -3,-1.8 2,-0.4 -4,-0.3 -3,-0.2 0.979 55.8 149.8 56.3 64.1 66.6 1.8 47.5 194 194 A V < - 0 0 18 -5,-2.2 2,-0.5 13,-0.1 -1,-0.2 -0.983 35.2-170.2-133.9 143.6 65.7 2.8 44.0 195 195 A D > - 0 0 88 -2,-0.4 4,-2.1 1,-0.1 5,-0.3 -0.987 14.2-156.3-126.0 114.2 63.3 5.4 42.6 196 196 A I H > S+ 0 0 4 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.875 91.6 58.4 -65.1 -37.7 63.0 4.9 38.8 197 197 A A H > S+ 0 0 41 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.940 110.6 45.6 -52.0 -47.3 61.9 8.5 38.1 198 198 A E H > S+ 0 0 78 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.946 111.8 47.0 -60.8 -59.4 65.2 9.6 39.8 199 199 A V H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.3 -1,-0.2 0.786 110.7 57.8 -55.8 -28.9 67.6 7.2 38.0 200 200 A Y H < S+ 0 0 53 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.924 112.7 37.6 -67.5 -46.0 65.8 8.2 34.9 201 201 A Q H < S+ 0 0 162 -4,-1.8 -2,-0.2 -3,-0.3 -3,-0.1 0.911 129.1 30.2 -71.4 -44.7 66.7 11.8 35.4 202 202 A N H < S- 0 0 101 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.357 109.3-111.9-100.0 1.9 70.2 11.4 36.9 203 203 A G < - 0 0 31 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.254 50.3 -39.5 94.5 175.1 71.4 8.3 35.2 204 204 A V + 0 0 37 55,-0.2 2,-0.3 -4,-0.1 56,-0.0 -0.158 55.3 179.3 -70.0 170.3 72.2 4.8 36.5 205 205 A N > - 0 0 52 0, 0.0 4,-1.4 0, 0.0 -1,-0.0 -0.819 45.2 -85.7-155.2-171.3 74.0 4.3 39.8 206 206 A N H > S+ 0 0 121 -2,-0.3 4,-1.2 2,-0.2 5,-0.1 0.683 120.1 55.4 -87.6 -14.5 75.0 1.3 41.7 207 207 A H H > S+ 0 0 85 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.912 109.2 48.1 -78.1 -42.6 71.8 0.5 43.5 208 208 A Y H > S+ 0 0 3 1,-0.2 4,-3.1 2,-0.2 3,-0.4 0.953 108.8 53.9 -60.5 -50.7 69.8 0.4 40.3 209 209 A I H X S+ 0 0 27 -4,-1.4 4,-3.1 1,-0.3 -1,-0.2 0.904 109.7 48.4 -52.6 -42.2 72.4 -1.8 38.6 210 210 A D H X S+ 0 0 86 -4,-1.2 4,-1.3 2,-0.2 -1,-0.3 0.846 111.4 49.2 -68.6 -31.0 72.1 -4.3 41.5 211 211 A L H >X S+ 0 0 0 -4,-1.7 4,-1.5 -3,-0.4 3,-0.7 0.976 114.5 45.1 -67.7 -55.1 68.3 -4.2 41.3 212 212 A W H 3X S+ 0 0 1 -4,-3.1 4,-2.2 1,-0.3 3,-0.3 0.897 112.7 51.0 -55.0 -42.2 68.4 -4.8 37.6 213 213 A E H 3X S+ 0 0 49 -4,-3.1 4,-1.9 -5,-0.3 -1,-0.3 0.801 102.8 60.9 -70.5 -23.9 71.1 -7.5 38.0 214 214 A Y H X S+ 0 0 48 -4,-1.7 3,-1.2 1,-0.2 4,-0.8 0.952 110.7 44.3 -69.5 -41.9 66.4 -24.5 33.1 226 226 A V H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.860 107.1 61.3 -70.7 -26.6 64.3 -24.4 29.9 227 227 A M H 3< S+ 0 0 25 -4,-2.3 -1,-0.3 1,-0.2 3,-0.2 0.679 101.0 55.2 -70.5 -12.1 67.4 -24.9 27.9 228 228 A D H << S+ 0 0 129 -3,-1.2 -1,-0.2 -4,-0.7 3,-0.2 0.676 113.0 40.3 -90.0 -18.5 67.9 -28.3 29.7 229 229 A Q S X< S+ 0 0 50 -4,-0.8 3,-2.3 -3,-0.7 4,-0.3 0.169 74.9 122.5-112.6 21.2 64.4 -29.4 28.7 230 230 A I G > + 0 0 13 1,-0.3 3,-1.6 -3,-0.2 -1,-0.2 0.753 60.9 76.0 -53.0 -21.4 64.5 -28.0 25.2 231 231 A K G 3 + 0 0 158 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.532 69.6 81.3 -72.4 -3.0 63.8 -31.5 23.9 232 232 A V G < S+ 0 0 16 -3,-2.3 -84,-0.5 -80,-0.1 -1,-0.3 0.739 86.4 79.5 -70.9 -15.5 60.1 -31.4 24.8 233 233 A F S < S- 0 0 11 -3,-1.6 -87,-0.3 -4,-0.3 -91,-0.0 -0.326 99.2 -86.0 -89.6 167.0 59.8 -29.5 21.6 234 234 A S > - 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0 0 82 1,-0.1 4,-1.5 4,-0.0 5,-0.1 -0.291 360.0-102.9 -86.1 178.8 43.3 19.3 32.7 288 3 B M H > S+ 0 0 130 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.945 124.8 50.5 -63.6 -47.2 41.0 17.2 30.5 289 4 B M H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.926 106.0 55.0 -56.8 -47.0 42.4 19.1 27.4 290 5 B D H > S+ 0 0 61 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.850 107.3 52.8 -54.2 -36.2 46.0 18.4 28.6 291 6 B M H X S+ 0 0 97 -4,-1.5 4,-2.2 -3,-0.3 -1,-0.3 0.914 104.0 53.7 -68.0 -40.6 45.0 14.8 28.6 292 7 B N H X S+ 0 0 13 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.936 112.5 44.1 -59.3 -45.0 43.7 14.9 25.1 293 8 B F H X S+ 0 0 3 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.811 108.7 58.5 -68.0 -29.8 47.1 16.3 23.8 294 9 B K H X S+ 0 0 83 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.882 106.2 48.6 -66.3 -38.7 49.0 13.8 26.0 295 10 B Y H X S+ 0 0 27 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.807 111.3 50.3 -69.9 -32.1 47.2 11.1 24.1 296 11 B C H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.928 109.4 51.0 -71.2 -42.5 48.1 12.8 20.8 297 12 B H H X S+ 0 0 14 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.896 109.3 51.1 -60.1 -41.2 51.7 13.0 21.9 298 13 B K H X S+ 0 0 57 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.938 105.8 53.6 -63.9 -47.2 51.7 9.3 22.7 299 14 B I H X S+ 0 0 6 -4,-1.9 4,-2.3 1,-0.2 5,-0.3 0.904 112.3 47.5 -54.6 -38.1 50.3 8.3 19.3 300 15 B M H X S+ 0 0 3 -4,-1.9 4,-1.8 2,-0.2 8,-0.3 0.869 108.9 51.1 -73.6 -37.3 53.2 10.3 17.8 301 16 B K H < S+ 0 0 74 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.910 113.4 50.0 -63.9 -38.2 55.9 8.8 20.0 302 17 B K H < S+ 0 0 67 -4,-2.6 -2,-0.2 -5,-0.2 3,-0.2 0.926 121.8 24.8 -67.9 -50.5 54.5 5.4 19.0 303 18 B H H < S+ 0 0 41 -4,-2.3 2,-1.1 -5,-0.2 3,-0.2 0.792 110.2 67.4 -91.2 -24.4 54.4 5.6 15.2 304 19 B S X + 0 0 8 -4,-1.8 4,-1.9 -5,-0.3 5,-0.3 -0.587 46.1 160.1-101.5 77.3 57.0 8.3 14.4 305 20 B K T 4 S+ 0 0 103 -2,-1.1 4,-0.5 1,-0.2 -1,-0.2 0.955 79.6 45.5 -59.9 -46.7 60.4 6.9 15.2 306 21 B S T 4 S+ 0 0 16 -3,-0.2 4,-0.3 1,-0.1 -1,-0.2 0.892 124.9 25.6 -64.3 -40.7 62.2 9.4 12.9 307 22 B F T > S+ 0 0 30 2,-0.1 4,-2.3 1,-0.1 5,-0.4 0.708 94.2 79.8-102.0 -26.2 60.3 12.6 13.9 308 23 B S H X S+ 0 0 12 -4,-1.9 4,-1.5 -8,-0.3 -1,-0.1 0.899 96.4 56.3 -49.5 -41.4 58.9 12.5 17.4 309 24 B Y H 4 S+ 0 0 63 -4,-0.5 -1,-0.2 -5,-0.3 -2,-0.1 0.933 111.5 42.9 -56.7 -45.6 62.5 13.3 18.5 310 25 B A H >4 S+ 0 0 0 -4,-0.3 3,-1.8 -3,-0.2 -2,-0.2 0.958 112.6 44.8 -70.8 -56.3 62.6 16.4 16.5 311 26 B F H >< S+ 0 0 24 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.721 100.1 70.0 -65.2 -20.1 59.2 18.1 16.9 312 27 B D T 3< S+ 0 0 38 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.545 87.8 68.7 -72.1 -5.9 59.3 17.6 20.7 313 28 B L T < S+ 0 0 72 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.467 81.9 99.8 -88.0 -6.7 62.1 20.2 20.8 314 29 B L S < S- 0 0 4 -3,-1.5 208,-0.1 1,-0.2 5,-0.1 -0.375 90.5 -80.7 -79.1 161.2 59.6 22.9 19.8 315 30 B P > - 0 0 51 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.202 50.9-102.2 -56.7 156.3 58.1 25.4 22.3 316 31 B E H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.849 118.3 49.0 -50.8 -49.5 55.1 23.9 24.2 317 32 B D H > S+ 0 0 139 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.884 115.2 45.4 -64.1 -37.8 52.3 25.6 22.3 318 33 B Q H > S+ 0 0 34 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.901 111.7 48.6 -71.8 -45.3 53.8 24.6 19.0 319 34 B R H X S+ 0 0 71 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.862 107.4 56.4 -67.7 -33.3 54.6 21.0 19.8 320 35 B K H X S+ 0 0 25 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.945 108.2 47.1 -61.8 -45.8 51.2 20.4 21.2 321 36 B A H X S+ 0 0 9 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.840 111.3 53.3 -65.1 -32.8 49.5 21.5 18.0 322 37 B V H X S+ 0 0 4 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.922 106.1 51.5 -67.9 -43.0 51.9 19.3 16.0 323 38 B W H X S+ 0 0 10 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.927 110.7 50.4 -57.1 -46.2 51.0 16.2 18.1 324 39 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.951 112.5 44.6 -59.0 -47.8 47.4 16.9 17.4 325 40 B I H X S+ 0 0 3 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.922 114.7 49.7 -63.7 -40.0 47.9 17.2 13.6 326 41 B Y H X S+ 0 0 42 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.952 109.3 50.8 -62.6 -49.6 50.1 14.2 13.6 327 42 B A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.895 111.1 49.3 -55.5 -44.9 47.5 12.1 15.5 328 43 B V H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.872 114.2 44.0 -64.8 -38.5 44.8 13.1 13.1 329 44 B C H X S+ 0 0 20 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.838 112.7 52.9 -73.3 -35.2 46.9 12.2 10.0 330 45 B R H X S+ 0 0 52 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.937 109.0 48.3 -63.1 -51.7 48.0 9.0 11.6 331 46 B K H X S+ 0 0 10 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.893 112.2 51.0 -56.9 -42.4 44.5 7.9 12.4 332 47 B I H X S+ 0 0 0 -4,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.858 112.1 46.0 -63.4 -40.3 43.5 8.7 8.8 333 48 B D H >X S+ 0 0 45 -4,-2.1 4,-2.2 1,-0.2 3,-0.8 0.945 116.4 44.2 -67.1 -49.8 46.4 6.7 7.4 334 49 B D H 3X>S+ 0 0 9 -4,-3.0 5,-3.2 1,-0.2 4,-1.4 0.608 93.6 78.4 -69.9 -15.9 45.7 3.8 9.6 335 50 B S H 3<5S+ 0 0 0 -4,-1.3 6,-2.9 -5,-0.2 -1,-0.2 0.881 120.1 13.5 -62.3 -31.8 41.9 3.9 9.0 336 51 B I H > + 0 0 58 -6,-2.9 4,-1.5 -7,-0.2 3,-0.6 -0.814 35.6 177.7-123.3 96.0 37.6 0.5 7.6 342 57 B I H 3> S+ 0 0 49 -2,-0.5 4,-1.1 1,-0.2 -1,-0.1 0.660 87.9 57.9 -69.8 -7.3 36.5 3.1 5.0 343 58 B Q H 3> S+ 0 0 125 2,-0.2 4,-0.9 1,-0.1 -1,-0.2 0.803 100.5 52.6 -90.7 -28.9 33.6 4.0 7.3 344 59 B F H <> S+ 0 0 22 -3,-0.6 4,-2.1 2,-0.2 3,-0.4 0.894 109.6 52.8 -66.6 -39.8 35.9 4.9 10.2 345 60 B L H X S+ 0 0 4 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.891 104.4 53.9 -61.9 -42.8 37.7 7.2 7.8 346 61 B N H X S+ 0 0 62 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.768 106.2 54.0 -67.4 -21.6 34.4 8.8 6.7 347 62 B Q H X S+ 0 0 55 -4,-0.9 4,-3.9 -3,-0.4 20,-0.3 0.951 105.6 51.2 -73.4 -49.0 33.8 9.5 10.4 348 63 B I H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.907 112.3 48.7 -52.1 -43.4 37.2 11.3 10.8 349 64 B K H X S+ 0 0 50 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.924 111.4 47.4 -64.0 -45.8 36.2 13.3 7.8 350 65 B E H X S+ 0 0 80 -4,-2.0 4,-3.3 1,-0.2 -2,-0.2 0.950 111.8 52.8 -57.8 -50.3 32.7 14.2 9.2 351 66 B D H X S+ 0 0 1 -4,-3.9 4,-2.3 1,-0.2 -2,-0.2 0.918 109.0 48.0 -52.0 -48.9 34.4 15.1 12.5 352 67 B I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.871 114.6 45.4 -62.9 -40.1 36.8 17.5 10.7 353 68 B Q H X S+ 0 0 84 -4,-2.4 4,-2.5 2,-0.2 5,-0.4 0.888 108.0 56.9 -70.9 -38.9 34.0 19.2 8.7 354 69 B S H X S+ 0 0 36 -4,-3.3 4,-2.8 -5,-0.2 -2,-0.2 0.957 114.2 42.2 -52.0 -48.4 31.9 19.3 12.0 355 70 B I H < S+ 0 0 0 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.875 111.5 52.1 -64.8 -45.4 35.0 21.3 13.3 356 71 B E H < S+ 0 0 89 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.873 120.1 35.5 -60.3 -39.4 35.6 23.4 10.2 357 72 B K H < S+ 0 0 149 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.914 131.5 27.9 -81.4 -47.7 31.9 24.6 10.2 358 73 B Y < + 0 0 119 -4,-2.8 -1,-0.2 -5,-0.4 3,-0.2 -0.640 62.8 165.8-118.8 71.8 31.3 24.7 14.0 359 74 B P S S+ 0 0 40 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.806 79.1 49.8 -52.2 -33.1 34.7 25.5 15.6 360 75 B Y S S+ 0 0 155 -3,-0.1 2,-0.2 2,-0.1 -5,-0.0 -0.843 87.8 90.3-115.8 91.4 32.8 26.3 18.7 361 76 B E S S- 0 0 121 -2,-0.6 2,-0.7 -3,-0.2 -3,-0.1 -0.752 78.1-107.5-178.4 130.0 30.3 23.5 19.5 362 77 B Y - 0 0 132 -2,-0.2 2,-0.4 2,-0.1 -2,-0.1 -0.532 43.6-160.2 -67.4 113.0 30.6 20.4 21.7 363 78 B H - 0 0 22 -2,-0.7 2,-2.1 1,-0.1 -2,-0.0 -0.769 25.0-138.5-101.1 138.3 30.7 17.7 19.0 364 79 B H - 0 0 169 -2,-0.4 -1,-0.1 2,-0.0 -2,-0.1 -0.416 37.4-157.8 -84.2 62.0 29.8 14.1 19.8 365 80 B F - 0 0 18 -2,-2.1 4,-0.2 1,-0.2 -17,-0.1 -0.062 10.9-161.7 -39.3 136.6 32.8 13.3 17.5 366 81 B Q S S+ 0 0 87 -19,-0.2 -1,-0.2 2,-0.1 -18,-0.1 0.606 74.7 54.3-104.0 -10.9 32.4 9.8 16.3 367 82 B S S S- 0 0 23 -20,-0.3 2,-0.4 1,-0.2 -19,-0.1 0.903 126.2 -22.5 -83.1 -84.4 35.9 8.9 15.1 368 83 B D > - 0 0 19 1,-0.1 4,-2.1 -21,-0.1 -1,-0.2 -0.976 56.6-156.9-133.9 115.9 38.3 9.5 18.0 369 84 B R H > S+ 0 0 117 -2,-0.4 4,-1.9 2,-0.2 5,-0.2 0.881 88.0 50.0 -61.0 -47.9 37.2 11.9 20.7 370 85 B R H > S+ 0 0 94 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.965 112.5 47.2 -59.9 -49.7 40.6 12.9 22.2 371 86 B I H > S+ 0 0 0 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.893 112.8 47.2 -59.8 -45.7 42.1 13.8 18.8 372 87 B M H X S+ 0 0 3 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.856 112.2 50.2 -67.5 -35.0 39.2 15.8 17.5 373 88 B M H X S+ 0 0 15 -4,-1.9 4,-2.9 -5,-0.2 -2,-0.2 0.944 114.3 45.1 -65.2 -49.1 39.0 17.8 20.8 374 89 B A H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.963 116.9 45.5 -59.2 -46.9 42.8 18.4 20.5 375 90 B L H X S+ 0 0 0 -4,-3.4 4,-3.0 1,-0.2 -2,-0.2 0.895 113.0 50.5 -60.8 -41.8 42.4 19.3 16.8 376 91 B Q H X S+ 0 0 11 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.913 108.0 52.5 -63.2 -41.0 39.3 21.5 17.6 377 92 B H H < S+ 0 0 58 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.915 113.0 45.6 -63.6 -35.8 41.3 23.2 20.3 378 93 B V H >X S+ 0 0 7 -4,-2.3 3,-2.2 1,-0.2 4,-2.0 0.923 106.2 57.4 -71.6 -42.3 44.0 24.0 17.7 379 94 B A H 3< S+ 0 0 18 -4,-3.0 5,-0.2 1,-0.3 -1,-0.2 0.806 98.5 62.7 -57.5 -28.7 41.6 25.1 15.1 380 95 B Q T 3< S+ 0 0 56 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.379 115.4 30.9 -77.1 4.4 40.3 27.7 17.5 381 96 B H T <4 S+ 0 0 119 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.518 120.2 43.4-133.8 -23.7 43.8 29.4 17.5 382 97 B K S < S- 0 0 67 -4,-2.0 2,-1.4 0, 0.0 -1,-0.3 -0.909 82.3-111.2-128.7 155.7 45.2 28.7 14.1 383 98 B N - 0 0 110 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.1 -0.685 41.4-157.3 -89.5 88.3 43.9 28.9 10.6 384 99 B I - 0 0 9 -2,-1.4 2,-1.7 -5,-0.2 3,-0.2 -0.414 17.5-128.5 -68.6 135.4 43.9 25.2 9.7 385 100 B A >> + 0 0 24 1,-0.2 3,-2.0 -2,-0.2 4,-1.0 -0.572 33.1 175.1 -86.3 73.8 43.9 24.2 6.0 386 101 B F H >> S+ 0 0 26 -2,-1.7 4,-2.2 1,-0.3 3,-0.6 0.837 73.9 62.5 -49.2 -43.0 40.9 21.9 6.1 387 102 B Q H 3> S+ 0 0 113 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.786 100.4 56.8 -57.2 -26.6 41.0 21.3 2.3 388 103 B S H <> S+ 0 0 7 -3,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.830 105.1 48.9 -73.4 -37.8 44.5 19.8 2.9 389 104 B F H < S+ 0 0 101 -4,-2.3 3,-2.3 1,-0.2 4,-0.4 0.984 104.6 55.9 -62.7 -55.9 41.2 6.2 0.2 398 113 B K H 3< S+ 0 0 130 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.717 92.9 72.0 -47.9 -23.7 42.6 5.8 -3.4 399 114 B D T 3< S+ 0 0 19 -4,-1.0 3,-0.5 -3,-0.4 -1,-0.3 0.387 84.3 70.8 -79.0 8.0 45.5 3.8 -2.0 400 115 B Q S < S+ 0 0 81 -3,-2.3 2,-2.8 1,-0.2 -2,-0.2 0.923 105.0 35.3 -77.1 -76.1 43.1 0.9 -1.4 401 116 B H S S- 0 0 114 -4,-0.4 -1,-0.2 2,-0.0 -2,-0.1 -0.336 99.4-173.3 -73.6 59.6 42.6 0.1 -5.0 402 117 B F - 0 0 45 -2,-2.8 2,-0.3 -3,-0.5 -3,-0.1 -0.241 14.4-178.8 -62.2 142.3 46.2 0.9 -5.7 403 118 B T - 0 0 109 64,-0.0 3,-0.1 63,-0.0 -2,-0.0 -0.984 34.1-100.2-139.3 143.4 47.7 1.0 -9.2 404 119 B M - 0 0 44 -2,-0.3 2,-0.2 1,-0.1 64,-0.1 -0.295 43.1-101.8 -64.4 154.7 51.3 1.8 -10.2 405 120 B F - 0 0 21 62,-0.4 66,-2.6 64,-0.4 67,-0.2 -0.537 18.9-151.9 -77.3 139.6 52.1 5.3 -11.4 406 121 B E S S+ 0 0 101 -2,-0.2 66,-2.3 64,-0.2 2,-0.3 0.944 76.1 3.5 -77.0 -43.1 52.6 5.8 -15.1 407 122 B T S >> S- 0 0 54 64,-0.2 4,-1.9 65,-0.1 3,-0.7 -0.855 78.7 -99.3-137.3 169.5 55.0 8.6 -14.8 408 123 B D H 3> S+ 0 0 7 -2,-0.3 4,-4.3 1,-0.2 5,-0.3 0.861 119.2 65.0 -59.5 -27.4 56.8 10.6 -12.3 409 124 B A H 3> S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.909 104.8 44.6 -59.9 -42.1 54.1 13.3 -12.6 410 125 B E H <> S+ 0 0 101 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.857 114.6 48.7 -71.9 -32.7 51.6 10.8 -11.2 411 126 B L H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.949 110.6 49.3 -71.6 -44.4 54.1 9.8 -8.5 412 127 B F H X S+ 0 0 70 -4,-4.3 4,-1.7 1,-0.2 -2,-0.2 0.845 108.8 55.4 -63.2 -27.3 54.8 13.4 -7.5 413 128 B G H X S+ 0 0 44 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.869 106.2 50.7 -72.2 -35.0 51.0 14.0 -7.4 414 129 B Y H X S+ 0 0 39 -4,-1.5 4,-1.9 1,-0.2 5,-0.3 0.918 107.2 54.1 -70.7 -35.7 50.8 11.2 -5.0 415 130 B C H X>S+ 0 0 2 -4,-2.3 4,-1.8 2,-0.2 5,-1.5 0.863 106.5 52.5 -65.1 -32.0 53.5 12.8 -2.9 416 131 B Y H X>S+ 0 0 58 -4,-1.7 5,-2.2 3,-0.2 4,-1.2 0.987 109.5 49.4 -65.5 -52.3 51.6 16.0 -2.7 417 132 B G H <5S+ 0 0 2 -4,-2.1 -22,-0.2 1,-0.2 -2,-0.2 0.781 119.1 33.5 -55.7 -36.1 48.5 14.2 -1.5 418 133 B V H <5S+ 0 0 20 -4,-1.9 -1,-0.2 -23,-0.1 -2,-0.2 0.700 139.9 8.1 -96.6 -19.5 50.0 12.2 1.3 419 134 B A H X5S+ 0 0 15 -4,-1.8 4,-1.3 -5,-0.3 -3,-0.2 0.650 118.8 60.2-133.6 -26.2 52.7 14.6 2.5 420 135 B G H X S+ 0 0 39 -6,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.865 106.4 49.7 -69.4 -37.3 50.6 17.7 5.7 423 138 B G H X S+ 0 0 8 -4,-1.3 4,-1.3 -3,-0.3 -2,-0.2 0.881 111.1 53.3 -67.9 -33.7 53.2 20.5 5.2 424 139 B E H >< S+ 0 0 21 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.953 109.0 45.8 -65.1 -50.6 50.2 22.7 4.3 425 140 B V H 3< S+ 0 0 4 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.868 113.7 50.5 -61.6 -38.2 48.3 21.9 7.5 426 141 B L H >X S+ 0 0 24 -4,-1.9 4,-1.8 1,-0.2 3,-1.3 0.772 88.7 85.9 -70.2 -25.0 51.5 22.4 9.6 427 142 B T H - 0 0 67 -2,-1.3 4,-2.1 82,-0.1 3,-0.3 -0.579 69.3-100.1-104.7 171.4 52.0 33.5 2.7 436 151 B H H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.759 123.7 58.8 -62.8 -27.5 52.0 31.4 -0.4 437 152 B Q H > S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.915 107.1 48.7 -71.0 -34.6 55.8 31.3 -0.3 438 153 B T H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 3,-0.5 0.970 113.9 43.5 -66.8 -51.8 55.5 29.7 3.2 439 154 B Y H X S+ 0 0 43 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.897 112.1 57.0 -58.9 -37.9 52.9 27.1 2.1 440 155 B D H X S+ 0 0 49 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.843 108.5 43.6 -65.3 -32.0 55.0 26.5 -0.9 441 156 B V H X S+ 0 0 0 -4,-1.6 4,-3.2 -3,-0.5 5,-0.2 0.919 113.9 50.4 -76.5 -44.8 58.1 25.6 1.0 442 157 B A H X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.909 112.0 49.6 -58.7 -41.3 56.3 23.4 3.5 443 158 B R H X S+ 0 0 47 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.888 112.1 44.7 -64.9 -46.9 54.7 21.6 0.7 444 159 B R H X S+ 0 0 53 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.863 114.1 51.0 -68.5 -37.3 57.9 21.0 -1.2 445 160 B L H X S+ 0 0 17 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.958 110.0 50.9 -63.3 -43.9 59.6 19.9 2.0 446 161 B G H X S+ 0 0 9 -4,-2.8 4,-1.5 1,-0.2 -26,-0.2 0.913 111.9 45.9 -57.7 -49.9 56.7 17.5 2.7 447 162 B E H X S+ 0 0 52 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.771 109.7 53.6 -66.6 -30.3 56.9 16.0 -0.8 448 163 B S H X S+ 0 0 3 -4,-1.6 4,-2.1 -3,-0.2 -1,-0.2 0.881 109.4 50.0 -71.3 -39.2 60.8 15.6 -0.6 449 164 B L H X S+ 0 0 30 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.869 108.3 51.6 -66.3 -33.7 60.4 13.8 2.7 450 165 B Q H X S+ 0 0 34 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.905 108.7 52.2 -69.2 -37.9 57.7 11.4 1.2 451 166 B L H X S+ 0 0 4 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.915 110.2 47.5 -61.2 -45.4 60.1 10.7 -1.7 452 167 B I H X S+ 0 0 2 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.860 108.9 54.6 -64.3 -38.1 62.9 9.8 0.8 453 168 B N H X S+ 0 0 36 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.880 107.7 50.8 -64.5 -34.0 60.4 7.6 2.7 454 169 B I H < S+ 0 0 4 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.906 108.6 51.8 -67.4 -38.2 59.8 5.8 -0.6 455 170 B L H < S+ 0 0 3 -4,-1.8 3,-0.2 1,-0.2 -1,-0.2 0.742 110.8 47.4 -71.5 -27.7 63.5 5.3 -1.1 456 171 B R H < S+ 0 0 21 -4,-1.5 95,-0.3 1,-0.2 3,-0.3 0.824 114.9 46.1 -80.4 -33.9 63.9 3.8 2.4 457 172 B D X + 0 0 13 -4,-1.8 4,-3.4 1,-0.2 5,-0.4 0.255 67.5 117.6-100.2 13.6 60.9 1.4 2.0 458 173 B V H > S+ 0 0 13 -4,-0.4 4,-2.5 -3,-0.2 -1,-0.2 0.923 83.6 44.3 -46.0 -53.2 61.3 -0.2 -1.4 459 174 B G H > S+ 0 0 4 -3,-0.3 4,-2.5 87,-0.3 5,-0.2 0.955 116.4 43.7 -56.2 -57.4 61.7 -3.7 0.1 460 175 B E H > S+ 0 0 47 1,-0.2 4,-1.1 -4,-0.2 -1,-0.2 0.845 114.0 50.8 -59.1 -36.2 58.9 -3.4 2.6 461 176 B D H <>S+ 0 0 26 -4,-3.4 5,-2.3 2,-0.2 -1,-0.2 0.888 107.9 53.1 -70.4 -37.4 56.5 -1.8 0.1 462 177 B F H ><5S+ 0 0 49 -4,-2.5 3,-2.7 -5,-0.4 -2,-0.2 0.966 106.0 52.9 -60.0 -48.4 57.3 -4.5 -2.4 463 178 B E H 3<5S+ 0 0 37 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.784 109.5 49.5 -56.7 -27.0 56.4 -7.2 0.2 464 179 B N T 3<5S- 0 0 46 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.170 126.4-108.4 -97.8 21.7 53.1 -5.3 0.7 465 180 B E T < 5S+ 0 0 133 -3,-2.7 2,-0.4 1,-0.2 -3,-0.2 0.892 77.9 121.1 54.4 53.0 52.7 -5.4 -3.1 466 181 B R < - 0 0 59 -5,-2.3 2,-0.4 -8,-0.2 -2,-0.2 -0.995 38.0-171.8-144.3 134.5 53.3 -1.8 -3.9 467 182 B I - 0 0 33 -2,-0.4 -62,-0.4 1,-0.1 -9,-0.0 -1.000 1.8-173.0-126.7 128.8 55.9 -0.2 -6.1 468 183 B Y + 0 0 23 -2,-0.4 -63,-0.1 -14,-0.1 -1,-0.1 0.714 56.2 96.1 -96.4 -26.7 56.2 3.6 -6.0 469 184 B F S S- 0 0 3 -15,-0.1 -64,-0.4 1,-0.1 2,-0.2 -0.314 85.1-106.6 -60.0 151.5 58.7 4.2 -8.8 470 185 B S > - 0 0 0 1,-0.1 4,-2.0 -66,-0.1 -64,-0.2 -0.533 15.6-122.4 -83.3 150.6 56.8 5.0 -12.0 471 186 B K H > S+ 0 0 72 -66,-2.6 4,-2.7 2,-0.2 5,-0.3 0.913 111.3 57.6 -56.3 -45.4 56.6 2.5 -14.9 472 187 B Q H > S+ 0 0 74 -66,-2.3 4,-2.8 -67,-0.2 3,-0.3 0.968 111.4 40.3 -51.6 -58.3 58.2 5.0 -17.3 473 188 B R H > S+ 0 0 40 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.758 112.6 55.0 -61.6 -31.1 61.3 5.3 -15.2 474 189 B L H <>S+ 0 0 14 -4,-2.0 5,-2.5 2,-0.2 -1,-0.2 0.874 112.2 44.6 -69.1 -39.7 61.5 1.6 -14.4 475 190 B K H ><5S+ 0 0 141 -4,-2.7 3,-2.3 -3,-0.3 -2,-0.2 0.983 111.0 53.4 -66.8 -54.0 61.4 0.9 -18.1 476 191 B Q H 3<5S+ 0 0 104 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.806 117.5 36.2 -49.0 -40.2 64.0 3.6 -18.9 477 192 B Y T 3<5S- 0 0 59 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.281 109.4-123.3 -97.0 6.8 66.5 2.2 -16.3 478 193 B E T < 5 + 0 0 148 -3,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.947 56.5 151.5 49.6 61.9 65.6 -1.4 -17.1 479 194 B V < - 0 0 15 -5,-2.5 2,-0.5 13,-0.1 -1,-0.2 -0.970 32.2-171.1-127.5 136.1 64.6 -2.4 -13.5 480 195 B D >> - 0 0 94 -2,-0.4 4,-1.6 1,-0.1 3,-0.7 -0.985 12.4-157.2-124.1 113.9 62.1 -5.0 -12.3 481 196 B I H 3> S+ 0 0 5 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.889 90.1 59.7 -63.2 -39.4 61.6 -4.6 -8.6 482 197 B A H 3> S+ 0 0 46 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.799 108.2 48.3 -58.5 -27.2 60.4 -8.2 -8.1 483 198 B E H <> S+ 0 0 81 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.838 111.1 45.8 -83.2 -37.9 63.8 -9.4 -9.5 484 199 B V H X S+ 0 0 1 -4,-1.6 4,-1.9 2,-0.2 63,-0.2 0.784 109.3 57.4 -77.5 -23.9 66.1 -7.3 -7.4 485 200 B Y H < S+ 0 0 57 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.905 115.4 38.0 -68.2 -38.2 64.1 -8.2 -4.4 486 201 B Q H < S+ 0 0 148 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.868 132.4 22.9 -82.0 -33.1 64.9 -11.8 -5.2 487 202 B N H < S- 0 0 99 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.496 106.6-113.7-112.1 -5.8 68.5 -11.5 -6.4 488 203 B G < - 0 0 30 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.1 -0.284 50.3 -28.0 101.3 172.1 69.8 -8.3 -4.9 489 204 B V - 0 0 46 55,-0.2 2,-0.3 -2,-0.1 56,-0.0 -0.124 53.0-179.3 -57.2 158.6 71.0 -4.9 -6.0 490 205 B N > - 0 0 54 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.938 44.9 -96.0-156.1 153.1 72.5 -4.4 -9.5 491 206 B N H > S+ 0 0 122 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.678 120.5 58.9 -52.3 -21.6 73.9 -1.2 -11.1 492 207 B H H > S+ 0 0 76 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.976 108.3 43.7 -69.6 -54.5 70.6 -0.5 -12.9 493 208 B Y H > S+ 0 0 2 -3,-0.5 4,-3.0 1,-0.2 3,-0.5 0.961 112.8 52.3 -54.5 -53.6 68.6 -0.4 -9.6 494 209 B I H X S+ 0 0 29 -4,-2.0 4,-2.8 1,-0.3 -1,-0.2 0.903 109.2 50.6 -48.0 -48.5 71.3 1.7 -7.9 495 210 B D H X S+ 0 0 86 -4,-1.8 4,-1.0 -5,-0.2 -1,-0.3 0.861 112.7 46.1 -58.0 -40.4 71.2 4.2 -10.8 496 211 B L H X S+ 0 0 0 -4,-2.3 4,-1.6 -3,-0.5 3,-0.4 0.928 112.2 49.9 -69.9 -43.1 67.4 4.4 -10.6 497 212 B W H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.894 111.6 49.3 -62.6 -40.1 67.4 4.8 -6.8 498 213 B E H X S+ 0 0 53 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.2 0.698 102.5 62.0 -74.5 -19.5 70.1 7.5 -7.1 499 214 B Y H X S+ 0 0 72 -4,-1.0 4,-1.2 -3,-0.4 -1,-0.2 0.908 111.7 37.8 -70.6 -42.1 68.1 9.4 -9.8 500 215 B Y H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.820 111.8 58.7 -76.4 -32.0 65.2 9.9 -7.3 501 216 B A H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.867 104.5 51.7 -65.9 -32.4 67.6 10.5 -4.4 502 217 B A H X S+ 0 0 49 -4,-1.5 4,-3.1 2,-0.2 -1,-0.2 0.884 108.7 51.1 -68.9 -39.5 69.1 13.4 -6.4 503 218 B I H X S+ 0 0 40 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.961 113.4 43.6 -61.2 -51.4 65.6 14.9 -6.9 504 219 B A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.914 115.1 51.0 -61.0 -43.3 64.8 14.6 -3.2 505 220 B E H X S+ 0 0 44 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.923 108.1 50.5 -61.6 -45.6 68.3 16.0 -2.4 506 221 B K H X S+ 0 0 109 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.946 110.8 49.5 -60.3 -43.2 68.0 19.0 -4.7 507 222 B D H X S+ 0 0 43 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.860 106.0 56.0 -64.7 -34.7 64.6 19.9 -3.1 508 223 B F H X S+ 0 0 16 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.935 109.0 48.3 -59.8 -46.2 66.0 19.7 0.4 509 224 B R H X S+ 0 0 136 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.903 110.5 49.4 -63.2 -40.1 68.6 22.2 -0.6 510 225 B D H X S+ 0 0 49 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.922 112.7 49.0 -66.9 -37.2 66.1 24.6 -2.2 511 226 B V H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.838 105.8 56.3 -66.5 -39.0 64.0 24.3 1.0 512 227 B M H >< S+ 0 0 27 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.918 100.5 59.9 -63.4 -36.0 67.0 25.0 3.2 513 228 B D H 3< S+ 0 0 137 -4,-1.8 -1,-0.2 1,-0.3 3,-0.2 0.721 111.5 39.9 -60.9 -23.3 67.5 28.3 1.3 514 229 B Q T X< S+ 0 0 52 -3,-0.9 3,-2.3 -4,-0.5 -1,-0.3 0.168 74.3 120.9-113.0 19.8 64.0 29.5 2.3 515 230 B I G X + 0 0 16 -3,-1.6 3,-2.1 1,-0.3 -1,-0.2 0.784 60.9 76.7 -50.8 -28.1 64.1 28.2 5.8 516 231 B K G 3 S+ 0 0 173 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.502 73.5 78.0 -66.9 -2.5 63.6 31.8 7.0 517 232 B V G < S+ 0 0 11 -3,-2.3 -84,-0.5 -80,-0.1 -85,-0.3 0.719 85.5 76.2 -78.0 -18.4 59.9 31.6 6.1 518 233 B F S < S- 0 0 8 -3,-2.1 -87,-0.3 -4,-0.2 5,-0.1 -0.509 100.5 -86.5 -92.7 160.9 59.3 29.6 9.3 519 234 B S >> - 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