==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-MAY-10 3N8Z . COMPND 2 MOLECULE: PROSTAGLANDIN G/H SYNTHASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: OVIS ARIES; . AUTHOR R.S.SIDHU . 1106 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42151.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 677 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 1 0.1 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 . 52 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 356 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.7 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 6 6 7 8 3 2 2 0 1 3 0 1 1 0 0 0 0 3 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 16 3 4 0 2 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 . 8 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 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 32 A P 0 0 127 0, 0.0 2,-0.2 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 162.6 -62.4 40.0 9.4 2 33 A V - 0 0 89 1,-0.1 126,-0.1 20,-0.1 3,-0.0 -0.538 360.0 -97.1 -82.9 149.6 -59.1 41.4 10.8 3 34 A N > - 0 0 14 124,-0.4 3,-1.4 -2,-0.2 4,-0.1 -0.552 29.8-157.5 -68.2 113.3 -56.1 42.1 8.5 4 35 A P G > S+ 0 0 16 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.715 85.9 70.5 -68.4 -23.0 -53.8 38.9 8.8 5 36 A a G > S+ 0 0 17 1,-0.3 3,-0.9 2,-0.2 11,-0.1 0.548 80.7 77.6 -71.0 -7.2 -50.7 40.9 7.7 6 37 A b G < S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.2 128,-0.1 0.596 88.6 57.5 -73.3 -13.2 -50.9 42.6 11.1 7 38 A Y G < S- 0 0 134 -3,-1.6 -1,-0.2 126,-0.1 -2,-0.2 0.480 102.8-135.3 -92.7 -5.6 -49.4 39.4 12.6 8 39 A Y < + 0 0 27 -3,-0.9 -3,-0.1 -4,-0.1 -2,-0.1 0.928 40.3 166.9 46.0 57.4 -46.3 39.6 10.3 9 40 A P + 0 0 21 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.777 43.2 92.4 -73.8 -27.4 -46.6 35.9 9.5 10 41 A c - 0 0 18 4,-0.1 3,-0.3 15,-0.1 2,-0.2 -0.574 66.5-156.3 -75.0 119.7 -44.2 35.9 6.5 11 42 A Q > + 0 0 36 26,-2.8 3,-0.9 -2,-0.5 22,-0.1 -0.550 57.7 17.2 -98.3 158.5 -40.7 35.1 7.7 12 43 A H T 3 S- 0 0 78 1,-0.2 -1,-0.2 -2,-0.2 21,-0.2 0.888 134.4 -41.5 50.3 56.3 -37.2 35.8 6.4 13 44 A Q T 3 S+ 0 0 89 -3,-0.3 -1,-0.2 1,-0.2 2,-0.2 0.595 95.0 150.7 73.0 14.8 -38.0 38.6 3.9 14 45 A G < - 0 0 15 -3,-0.9 2,-0.5 23,-0.2 -1,-0.2 -0.490 46.0-117.7 -74.1 148.8 -41.2 37.0 2.6 15 46 A I E -A 27 0A 29 12,-0.9 12,-1.5 -2,-0.2 2,-0.7 -0.787 14.7-141.0 -97.9 123.6 -44.0 39.3 1.3 16 47 A a E -A 26 0A 40 -2,-0.5 2,-0.4 10,-0.2 10,-0.2 -0.731 24.9-179.4 -82.1 112.8 -47.4 39.4 3.0 17 48 A V E -A 25 0A 14 8,-2.9 8,-2.6 -2,-0.7 2,-0.5 -0.966 23.9-131.3-117.5 132.0 -50.1 39.7 0.3 18 49 A R E -A 24 0A 34 -2,-0.4 2,-0.4 6,-0.2 6,-0.3 -0.710 25.1-171.3 -86.4 120.5 -53.8 39.9 1.2 19 50 A F E > -A 23 0A 15 4,-0.8 4,-1.0 -2,-0.5 824,-0.2 -0.955 48.7 -27.3-116.8 130.4 -56.0 37.5 -0.9 20 51 A G T 4 S- 0 0 6 822,-2.3 825,-0.5 -2,-0.4 822,-0.0 -0.315 103.2 -45.8 70.0-151.9 -59.8 37.5 -0.8 21 52 A L T 4 S+ 0 0 119 823,-0.1 -1,-0.2 822,-0.1 822,-0.0 0.890 131.4 3.5 -83.3 -44.5 -61.8 38.6 2.2 22 53 A D T 4 S+ 0 0 96 -3,-0.2 -2,-0.1 -19,-0.1 2,-0.1 0.415 109.1 86.4-128.5 -2.6 -60.1 36.9 5.1 23 54 A R E < -A 19 0A 149 -4,-1.0 -4,-0.8 -20,-0.0 2,-0.3 -0.401 46.7-170.6 -99.3 175.6 -57.0 35.0 3.7 24 55 A Y E -A 18 0A 70 -6,-0.3 2,-0.3 -2,-0.1 -6,-0.2 -0.951 7.1-148.9-153.4 167.7 -53.4 35.9 3.0 25 56 A Q E -A 17 0A 115 -8,-2.6 -8,-2.9 -2,-0.3 2,-0.4 -0.995 10.1-136.6-144.1 150.9 -50.3 34.5 1.2 26 57 A c E -A 16 0A 23 10,-0.4 2,-0.9 -2,-0.3 -10,-0.2 -0.901 9.6-148.1-105.3 134.8 -46.5 34.7 1.6 27 58 A D E +A 15 0A 24 -12,-1.5 -12,-0.9 -2,-0.4 -11,-0.1 -0.784 20.4 176.3-101.8 88.8 -44.3 35.1 -1.4 28 59 A d > > + 0 0 23 -2,-0.9 3,-1.8 -14,-0.2 5,-0.5 0.161 20.9 150.4 -83.1 19.4 -41.2 33.2 -0.3 29 60 A T T 3 5S- 0 0 50 1,-0.3 -2,-0.1 2,-0.1 5,-0.1 -0.357 76.9 -10.6 -63.2 121.7 -39.4 33.6 -3.6 30 61 A R T 3 5S+ 0 0 113 -2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.712 99.7 117.0 59.8 26.6 -35.6 33.7 -3.1 31 62 A T T < 5S- 0 0 24 -3,-1.8 -2,-0.1 2,-0.4 3,-0.1 0.595 86.6-117.1 -89.0 -15.3 -35.9 34.0 0.7 32 63 A G T 5S+ 0 0 15 -4,-0.4 10,-2.0 1,-0.3 2,-0.3 0.404 85.3 89.7 90.0 1.5 -34.2 30.7 1.1 33 64 A Y E < -B 41 0B 29 -5,-0.5 -2,-0.4 8,-0.2 -1,-0.3 -0.892 54.0-163.8-131.5 156.3 -37.3 29.2 2.6 34 65 A S E > +B 40 0B 62 6,-2.9 6,-2.2 -2,-0.3 5,-0.6 -0.726 41.9 75.5-126.7-179.7 -40.5 27.4 1.6 35 66 A G T > 5S- 0 0 29 -2,-0.2 3,-1.8 3,-0.2 -7,-0.1 -0.030 93.5 -62.2 94.2 159.4 -43.9 26.7 3.2 36 67 A P T 3 5S+ 0 0 111 0, 0.0 -10,-0.4 0, 0.0 -1,-0.2 0.708 139.0 26.0 -49.3 -31.1 -47.0 28.9 3.9 37 68 A N T 3 5S- 0 0 50 -3,-0.2 -26,-2.8 -27,-0.1 -23,-0.2 0.289 111.5-110.4-116.2 7.2 -45.0 31.3 6.2 38 69 A d T < 5S+ 0 0 0 -3,-1.8 -3,-0.2 -28,-0.2 -24,-0.1 0.916 80.7 126.0 59.8 48.3 -41.5 30.7 4.7 39 70 A T < + 0 0 75 -5,-0.6 -4,-0.2 -6,-0.1 -1,-0.1 0.394 42.4 90.8-112.3 -1.1 -40.3 28.8 7.8 40 71 A I E S-B 34 0B 89 -6,-2.2 -6,-2.9 -5,-0.0 2,-0.1 -0.881 73.5-136.3-102.5 115.4 -39.1 25.6 6.1 41 72 A P E -B 33 0B 53 0, 0.0 -8,-0.2 0, 0.0 2,-0.1 -0.411 6.2-130.0 -78.8 142.3 -35.4 25.9 5.1 42 73 A E > - 0 0 109 -10,-2.0 4,-2.6 -2,-0.1 5,-0.3 -0.378 37.4 -98.0 -74.3 164.2 -33.8 24.8 1.8 43 74 A I H > S+ 0 0 135 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.885 124.6 44.9 -51.3 -46.2 -30.7 22.5 1.9 44 75 A W H 4 S+ 0 0 215 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.840 113.6 49.3 -68.9 -36.5 -28.3 25.5 1.4 45 76 A T H >> S+ 0 0 28 -13,-0.3 4,-2.0 2,-0.2 3,-0.7 0.894 111.0 48.2 -73.1 -42.6 -30.0 27.7 4.0 46 77 A W H 3X S+ 0 0 140 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.821 108.6 56.7 -62.6 -33.8 -30.1 25.0 6.7 47 78 A L H 3< S+ 0 0 94 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.640 112.9 41.5 -72.7 -15.4 -26.4 24.4 5.9 48 79 A R H <> S+ 0 0 57 -3,-0.7 4,-0.5 -4,-0.4 3,-0.5 0.759 108.3 57.0-100.7 -32.1 -25.8 28.1 6.6 49 80 A T H >< S+ 0 0 66 -4,-2.0 3,-0.5 1,-0.2 -2,-0.1 0.902 107.7 44.2 -71.3 -45.8 -27.9 28.7 9.7 50 81 A T T 3< S+ 0 0 91 -4,-1.3 -1,-0.2 1,-0.2 -3,-0.1 0.413 120.4 45.2 -79.9 1.2 -26.4 26.0 12.0 51 82 A L T 34 S+ 0 0 125 -3,-0.5 -1,-0.2 -5,-0.1 -2,-0.2 0.369 88.5 98.9-120.7 -2.6 -23.0 27.2 10.9 52 83 A R S << S- 0 0 125 -3,-0.5 2,-0.1 -4,-0.5 -4,-0.0 -0.802 70.5-137.9 -87.5 115.1 -23.5 30.9 11.1 53 84 A P - 0 0 55 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -0.476 32.6 -88.3 -73.6 145.7 -22.1 32.2 14.4 54 85 A S >> - 0 0 70 -2,-0.1 4,-1.8 1,-0.1 3,-0.9 -0.128 33.7-114.1 -53.8 143.4 -24.1 34.8 16.4 55 86 A P H 3> S+ 0 0 18 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.744 117.7 55.8 -49.6 -30.5 -23.6 38.5 15.6 56 87 A S H 3> S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.873 105.2 51.0 -70.2 -39.4 -22.1 39.0 19.1 57 88 A F H <> S+ 0 0 108 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.894 110.1 49.2 -63.6 -42.5 -19.4 36.3 18.5 58 89 A I H X S+ 0 0 64 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.855 110.1 51.4 -67.1 -36.2 -18.4 38.0 15.2 59 90 A H H X S+ 0 0 11 -4,-1.5 4,-0.9 -5,-0.2 -2,-0.2 0.915 108.2 52.7 -61.6 -44.2 -18.2 41.3 17.0 60 91 A F H < S+ 0 0 106 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.872 107.7 51.0 -59.3 -40.9 -16.0 39.6 19.5 61 92 A L H >< S+ 0 0 81 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.871 110.9 48.3 -64.4 -38.5 -13.7 38.3 16.8 62 93 A L H 3< S+ 0 0 22 -4,-1.7 263,-2.8 1,-0.2 264,-0.4 0.611 115.7 44.1 -78.6 -13.4 -13.4 41.8 15.2 63 94 A T T 3< S+ 0 0 26 -4,-0.9 2,-0.3 -3,-0.5 -1,-0.2 0.251 108.0 61.1-116.8 10.0 -12.6 43.5 18.6 64 95 A H S < S+ 0 0 87 -3,-0.6 261,-0.1 -4,-0.3 5,-0.1 -0.967 77.5 40.1-141.0 154.2 -10.1 41.0 20.1 65 96 A G > - 0 0 38 -2,-0.3 4,-1.3 3,-0.1 3,-0.5 0.994 48.9-166.5 74.8 72.4 -6.6 39.5 19.4 66 97 A R H > S+ 0 0 145 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.791 80.7 65.3 -53.9 -34.3 -4.4 42.2 18.1 67 98 A W H > S+ 0 0 237 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.905 104.3 39.8 -61.8 -48.9 -1.7 39.7 16.9 68 99 A L H > S+ 0 0 105 -3,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.802 113.3 55.8 -72.9 -30.1 -3.8 37.9 14.2 69 100 A W H X S+ 0 0 19 -4,-1.3 4,-2.6 2,-0.2 258,-0.3 0.804 102.8 55.5 -72.7 -30.4 -5.3 41.1 13.0 70 101 A D H X S+ 0 0 98 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.891 111.9 44.7 -62.2 -41.5 -1.9 42.6 12.4 71 102 A F H >< S+ 0 0 139 -4,-1.2 3,-0.5 2,-0.2 -2,-0.2 0.945 114.0 48.5 -65.2 -51.6 -1.2 39.5 10.2 72 103 A V H >< S+ 0 0 16 -4,-2.8 3,-1.8 1,-0.2 6,-1.0 0.929 110.5 50.4 -55.8 -50.8 -4.6 39.8 8.5 73 104 A N H 3< S+ 0 0 23 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.740 109.5 52.4 -61.1 -25.9 -4.2 43.5 7.7 74 105 A A T << S+ 0 0 86 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.203 111.7 52.7 -95.8 14.1 -0.7 42.9 6.3 75 106 A T S X S- 0 0 45 -3,-1.8 3,-0.7 -5,-0.0 4,-0.4 -0.597 101.8 -84.0-131.4-169.7 -1.9 40.2 3.9 76 107 A F T >> S+ 0 0 153 1,-0.2 4,-1.8 -2,-0.2 3,-0.6 0.665 112.6 78.8 -70.9 -20.5 -4.5 39.4 1.2 77 108 A I H 3> S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.753 81.1 65.7 -65.9 -25.8 -7.0 38.5 3.9 78 109 A R H <> S+ 0 0 36 -6,-1.0 4,-1.9 -3,-0.7 -1,-0.2 0.927 106.7 41.7 -58.0 -46.6 -7.7 42.2 4.5 79 110 A D H <> S+ 0 0 48 -3,-0.6 4,-2.5 -4,-0.4 5,-0.2 0.890 111.8 55.3 -68.2 -42.7 -9.2 42.4 1.0 80 111 A T H X S+ 0 0 62 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.926 113.5 40.4 -55.9 -50.0 -11.1 39.1 1.3 81 112 A L H X S+ 0 0 45 -4,-2.4 4,-3.3 2,-0.2 -1,-0.2 0.858 113.0 53.9 -71.4 -37.4 -12.8 40.2 4.5 82 113 A M H X S+ 0 0 1 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.883 111.8 46.1 -63.6 -38.6 -13.5 43.7 3.3 83 114 A R H X S+ 0 0 96 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.856 113.8 49.8 -67.9 -36.5 -15.1 42.2 0.2 84 115 A L H X S+ 0 0 99 -4,-1.8 4,-2.0 -5,-0.2 5,-0.3 0.904 111.8 47.2 -68.5 -42.8 -17.0 39.8 2.5 85 116 A V H X S+ 0 0 37 -4,-3.3 4,-1.8 2,-0.2 5,-0.3 0.923 113.1 49.3 -63.5 -46.1 -18.2 42.7 4.8 86 117 A L H X S+ 0 0 3 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.928 116.8 39.1 -59.4 -51.3 -19.3 44.8 1.8 87 118 A T H X S+ 0 0 30 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.971 116.1 47.3 -66.1 -57.6 -21.3 42.1 0.0 88 119 A V H < S+ 0 0 83 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.849 116.6 44.6 -59.2 -39.5 -23.0 40.4 3.1 89 120 A R H >< S+ 0 0 45 -4,-1.8 3,-1.3 -5,-0.3 4,-0.2 0.946 115.4 45.5 -66.3 -50.7 -24.0 43.7 4.6 90 121 A S H >< S+ 0 0 4 -4,-1.9 3,-1.4 -5,-0.3 -2,-0.2 0.727 97.6 71.9 -70.9 -23.8 -25.4 45.3 1.4 91 122 A N T 3< S+ 0 0 114 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.513 88.5 64.9 -70.9 -4.4 -27.3 42.2 0.3 92 123 A L T < S+ 0 0 40 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.650 89.1 81.0 -85.0 -20.3 -29.8 43.0 3.1 93 124 A I S < S- 0 0 14 -3,-1.4 2,-0.2 -4,-0.2 27,-0.0 -0.782 86.9-122.4 -92.2 124.3 -30.8 46.2 1.3 94 125 A P - 0 0 8 0, 0.0 4,-0.2 0, 0.0 -2,-0.1 -0.472 28.5-147.9 -64.8 131.2 -33.3 45.9 -1.5 95 126 A S S S+ 0 0 20 1,-0.2 971,-0.2 -2,-0.2 246,-0.1 -0.881 88.9 38.7-151.9 114.1 -31.9 47.3 -4.8 96 127 A P S S- 0 0 0 0, 0.0 -1,-0.2 0, 0.0 15,-0.1 0.458 118.5-106.0 -60.1 152.1 -33.7 48.6 -6.8 97 128 A P - 0 0 5 0, 0.0 -2,-0.1 0, 0.0 23,-0.1 -0.147 33.7-159.9 -59.8 151.8 -35.6 50.1 -3.7 98 129 A T + 0 0 6 21,-0.2 9,-0.5 1,-0.2 2,-0.2 0.929 50.5 18.3-104.7 -68.5 -39.0 48.6 -2.8 99 130 A Y E -C 119 0C 23 20,-1.1 20,-1.7 7,-0.1 2,-0.2 -0.607 49.4-176.3-110.6 166.5 -41.5 50.5 -0.6 100 131 A N E -C 118 0C 1 3,-2.6 23,-0.3 18,-0.2 18,-0.2 -0.828 48.8 -79.9-142.5-172.8 -42.2 54.1 0.5 101 132 A I S S+ 0 0 43 16,-0.6 3,-0.1 87,-0.3 17,-0.1 0.851 129.3 39.3 -60.6 -36.5 -44.7 56.0 2.8 102 133 A A S S+ 0 0 53 1,-0.2 2,-0.5 86,-0.1 -1,-0.2 0.871 119.3 46.2 -79.9 -40.3 -47.4 56.0 0.2 103 134 A H - 0 0 4 1,-0.1 -3,-2.6 2,-0.1 -1,-0.2 -0.924 48.1-176.2-117.3 120.2 -46.9 52.4 -1.1 104 135 A D S S+ 0 0 59 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.1 -0.248 79.5 51.1 -98.3 41.8 -46.4 49.3 1.1 105 136 A Y S S- 0 0 28 -7,-0.2 2,-0.3 -5,-0.1 -5,-0.2 -0.938 102.6 -73.5-162.6 169.9 -45.8 47.3 -2.2 106 137 A I + 0 0 7 -2,-0.3 2,-0.3 -7,-0.1 751,-0.1 -0.627 60.0 153.3 -79.8 131.3 -43.7 47.5 -5.3 107 138 A S > - 0 0 0 -9,-0.5 4,-1.0 -2,-0.3 5,-0.1 -0.955 55.2-113.2-149.4 166.8 -44.9 50.2 -7.8 108 139 A W H > S+ 0 0 7 -2,-0.3 4,-2.7 745,-0.2 5,-0.3 0.816 116.9 55.7 -72.4 -31.2 -43.5 52.4 -10.6 109 140 A E H > S+ 0 0 16 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.837 104.9 53.6 -68.1 -33.6 -44.1 55.6 -8.5 110 141 A S H 4 S+ 0 0 4 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.801 114.3 41.8 -70.0 -31.2 -42.0 54.0 -5.7 111 142 A F H < S+ 0 0 23 -4,-1.0 -2,-0.2 -15,-0.1 -1,-0.2 0.908 123.4 34.0 -79.8 -46.9 -39.1 53.5 -8.2 112 143 A S H < S+ 0 0 51 -4,-2.7 2,-1.4 1,-0.1 -3,-0.2 0.920 96.7 79.7 -81.2 -47.5 -39.3 56.8 -10.2 113 144 A N >< + 0 0 41 -4,-1.6 3,-1.3 -5,-0.3 -1,-0.1 -0.469 53.4 178.1 -69.4 90.9 -40.3 59.4 -7.6 114 145 A V T 3 + 0 0 50 -2,-1.4 -1,-0.2 1,-0.3 81,-0.1 0.540 65.9 83.3 -73.5 -7.0 -37.0 60.0 -5.8 115 146 A S T 3 S+ 0 0 30 74,-0.1 75,-3.5 2,-0.1 -1,-0.3 0.629 79.3 85.5 -71.7 -13.6 -38.5 62.6 -3.6 116 147 A Y B < S-E 189 0D 28 -3,-1.3 2,-0.3 73,-0.2 73,-0.2 -0.562 79.3-129.0 -80.6 148.6 -39.7 59.8 -1.3 117 148 A Y - 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0 0 75 -4,-0.7 -304,-2.5 -5,-0.2 -3,-0.2 0.917 28.3-166.8 60.0 50.4 -46.0 53.8 11.0 429 460 A L < - 0 0 0 -5,-2.0 -1,-0.1 -306,-0.2 -306,-0.1 -0.361 20.6-111.4 -64.3 143.6 -42.7 52.0 11.5 430 461 A Q - 0 0 9 -308,-0.2 42,-0.3 1,-0.2 -297,-0.1 -0.221 46.9 -74.4 -70.9 164.3 -42.9 48.3 12.5 431 462 A P >> - 0 0 2 0, 0.0 3,-1.2 0, 0.0 4,-1.2 -0.203 42.1-109.4 -62.1 154.6 -41.9 47.0 16.0 432 463 A F H 3> S+ 0 0 0 38,-3.3 4,-1.4 1,-0.3 3,-0.4 0.845 116.6 56.8 -47.4 -44.5 -38.2 46.7 16.9 433 464 A N H 3> S+ 0 0 1 37,-0.3 4,-1.8 34,-0.3 -1,-0.3 0.759 101.2 55.5 -65.2 -29.3 -38.4 42.9 16.9 434 465 A E H <> S+ 0 0 28 -3,-1.2 4,-1.1 2,-0.2 -1,-0.2 0.806 108.6 48.0 -73.9 -31.1 -39.6 42.8 13.3 435 466 A Y H X S+ 0 0 0 -4,-1.2 4,-1.5 -3,-0.4 -2,-0.2 0.756 108.0 56.2 -76.1 -27.9 -36.5 44.8 12.2 436 467 A R H <>S+ 0 0 7 -4,-1.4 5,-2.8 -5,-0.2 -2,-0.2 0.908 109.4 45.5 -64.9 -43.5 -34.4 42.4 14.3 437 468 A K H ><5S+ 0 0 66 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.790 109.8 55.7 -70.8 -29.2 -35.8 39.5 12.2 438 469 A R H 3<5S+ 0 0 20 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.842 108.2 48.1 -70.1 -35.4 -35.2 41.5 9.0 439 470 A F T 3<5S- 0 0 7 -4,-1.5 -1,-0.2 2,-0.1 -2,-0.2 -0.029 122.9 -98.7-100.7 29.8 -31.5 42.0 9.8 440 471 A G T < 5S+ 0 0 29 -3,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.717 83.2 124.2 67.1 25.2 -30.8 38.3 10.7 441 472 A M < - 0 0 13 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.731 65.8-105.5-107.9 161.9 -30.9 38.8 14.4 442 473 A K - 0 0 69 -2,-0.3 2,-0.1 -3,-0.1 3,-0.0 -0.694 40.0-113.4 -81.6 137.6 -33.1 37.0 17.0 443 474 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.400 36.2 -98.8 -67.2 150.1 -36.0 39.0 18.4 444 475 A Y - 0 0 3 1,-0.1 -11,-0.1 23,-0.1 3,-0.1 -0.574 27.2-163.6 -74.3 127.9 -35.9 40.0 22.1 445 476 A T S S+ 0 0 120 -2,-0.3 2,-0.3 1,-0.1 22,-0.2 0.702 72.8 16.2 -83.5 -23.6 -37.9 37.6 24.3 446 477 A S S > S- 0 0 42 21,-0.1 4,-0.8 20,-0.1 -1,-0.1 -0.946 71.7-116.9-144.8 164.1 -38.0 40.0 27.3 447 478 A F H > S+ 0 0 10 -2,-0.3 4,-1.5 1,-0.2 5,-0.3 0.773 114.1 62.8 -70.5 -28.2 -37.3 43.7 28.2 448 479 A Q H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 5,-0.5 0.912 99.7 52.1 -59.0 -47.3 -34.5 42.5 30.4 449 480 A E H 4 S+ 0 0 86 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.760 106.3 55.8 -65.8 -28.2 -32.6 41.0 27.5 450 481 A L H < S+ 0 0 0 -4,-0.8 30,-2.2 1,-0.1 -1,-0.2 0.977 120.6 23.9 -67.1 -57.9 -32.8 44.4 25.6 451 482 A T H < S- 0 0 15 -4,-1.5 -2,-0.2 28,-0.3 30,-0.1 0.701 94.4-133.6 -86.0 -23.4 -31.2 46.7 28.1 452 483 A G S < S+ 0 0 50 -4,-2.3 2,-0.3 1,-0.3 -3,-0.1 0.672 74.1 84.3 75.7 18.9 -29.2 44.1 30.0 453 484 A E S S- 0 0 68 -5,-0.5 -1,-0.3 -6,-0.2 -2,-0.2 -0.861 73.8-126.3-143.6 177.6 -30.4 45.4 33.4 454 485 A K S > S+ 0 0 66 -2,-0.3 4,-1.5 3,-0.1 -1,-0.1 0.894 90.5 48.7 -96.2 -47.4 -33.2 45.2 35.9 455 486 A E H > S+ 0 0 138 2,-0.2 4,-1.2 1,-0.2 3,-0.4 0.982 113.2 35.9 -67.1 -68.7 -34.6 48.7 36.7 456 487 A M H > S+ 0 0 16 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.734 116.8 56.5 -61.6 -25.3 -35.2 50.6 33.4 457 488 A A H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.889 103.4 51.7 -72.4 -42.6 -36.3 47.4 31.7 458 489 A A H X S+ 0 0 59 -4,-1.5 4,-0.9 -3,-0.4 -2,-0.2 0.770 107.4 54.6 -66.1 -28.5 -39.1 46.6 34.2 459 490 A E H X S+ 0 0 36 -4,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.842 106.3 50.9 -72.0 -36.6 -40.5 50.2 33.8 460 491 A L H X S+ 0 0 0 -4,-1.0 4,-2.9 1,-0.2 5,-0.4 0.806 102.6 60.0 -71.6 -32.3 -40.7 49.7 30.0 461 492 A E H X S+ 0 0 99 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.858 106.4 48.6 -60.5 -37.4 -42.6 46.4 30.5 462 493 A E H < S+ 0 0 158 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.797 116.5 42.1 -72.8 -31.8 -45.3 48.4 32.3 463 494 A L H < S+ 0 0 51 -4,-1.0 -2,-0.2 1,-0.1 -1,-0.2 0.837 124.5 31.2 -86.9 -37.6 -45.5 51.1 29.6 464 495 A Y H < S- 0 0 5 -4,-2.9 2,-0.8 -324,-0.1 -327,-0.8 0.790 83.3-152.4 -93.0 -33.8 -45.4 48.9 26.4 465 496 A G S < S+ 0 0 41 -4,-1.5 2,-0.3 -5,-0.4 -1,-0.1 -0.314 73.2 39.4 92.2 -50.6 -47.1 45.8 27.7 466 497 A D S > S- 0 0 52 -2,-0.8 3,-1.2 1,-0.1 -329,-0.1 -0.979 72.3-134.3-133.8 145.0 -45.4 43.4 25.3 467 498 A I G > S+ 0 0 13 -2,-0.3 3,-1.8 1,-0.3 -34,-0.3 0.831 105.7 64.9 -65.7 -33.4 -41.8 43.2 24.0 468 499 A D G 3 S+ 0 0 47 1,-0.3 -333,-0.3 -23,-0.1 -1,-0.3 0.293 98.6 58.2 -73.3 11.4 -43.1 42.7 20.4 469 500 A A G < S+ 0 0 1 -3,-1.2 -1,-0.3 -335,-0.1 -2,-0.2 0.348 73.8 125.4-119.2 -1.8 -44.5 46.2 20.7 470 501 A L < - 0 0 0 -3,-1.8 -38,-3.3 1,-0.1 -37,-0.3 -0.399 62.9-116.1 -62.0 133.4 -41.2 48.0 21.5 471 502 A E > - 0 0 0 -40,-0.2 4,-2.2 -39,-0.1 5,-0.2 -0.300 15.0-115.0 -79.8 158.8 -40.6 50.9 19.0 472 503 A F H > S+ 0 0 2 -42,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.917 108.2 36.3 -57.7 -58.1 -37.8 51.2 16.5 473 504 A Y H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.875 117.6 49.7 -71.8 -41.6 -35.9 54.3 17.8 474 505 A P H > S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 3,-0.3 0.970 110.3 51.5 -58.5 -52.5 -36.3 53.6 21.6 475 506 A G H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.863 108.9 51.7 -49.7 -44.4 -35.2 50.0 21.2 476 507 A L H < S+ 0 0 0 -4,-1.6 12,-0.5 -5,-0.2 -1,-0.2 0.895 117.2 37.3 -60.1 -44.8 -32.0 51.1 19.3 477 508 A L H < S+ 0 0 2 -4,-1.8 -72,-0.7 -3,-0.3 -71,-0.5 0.725 116.8 51.0 -83.6 -23.6 -31.0 53.7 22.0 478 509 A L H < S+ 0 0 12 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.628 85.1 108.7 -88.8 -16.3 -32.1 51.6 25.0 479 510 A E S < S- 0 0 0 -4,-1.3 -74,-1.0 -5,-0.3 -28,-0.3 -0.357 80.5-103.7 -62.7 137.0 -30.2 48.5 23.9 480 511 A K - 0 0 92 -30,-2.2 9,-0.5 -31,-0.2 -1,-0.1 -0.322 40.0-120.0 -57.3 141.0 -27.1 47.6 26.0 481 512 A C - 0 0 23 7,-0.2 7,-0.3 -30,-0.1 3,-0.1 -0.293 28.0 -94.2 -77.4 166.6 -23.8 48.5 24.2 482 513 A H > - 0 0 17 5,-1.7 3,-1.8 1,-0.2 -1,-0.1 -0.455 69.5 -62.2 -69.5 154.2 -21.1 46.1 23.3 483 514 A P T 3 S- 0 0 97 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.205 123.2 -14.0 -39.4 108.8 -18.2 45.7 25.8 484 515 A N T 3 S+ 0 0 126 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.894 109.7 135.2 56.1 50.2 -16.8 49.2 25.9 485 516 A S < - 0 0 9 -3,-1.8 -1,-0.2 -325,-0.1 -4,-0.1 -0.780 66.4-117.7-127.4 169.8 -18.6 50.4 22.8 486 517 A I S S- 0 0 0 -165,-0.3 -82,-3.1 -2,-0.2 -83,-0.7 0.715 90.7 -6.8 -82.2 -24.1 -20.6 53.5 21.6 487 518 A F S S- 0 0 6 -84,-0.2 -5,-1.7 -85,-0.1 -10,-0.1 -0.923 79.4 -79.9-156.6-176.9 -23.9 51.6 21.0 488 519 A G > - 0 0 0 -12,-0.5 4,-0.9 -7,-0.3 3,-0.4 -0.091 49.0 -89.8 -85.2-176.8 -25.5 48.1 20.9 489 520 A E H >> S+ 0 0 27 -9,-0.5 4,-3.1 1,-0.2 3,-0.7 0.894 119.2 60.8 -60.8 -42.6 -25.7 45.3 18.3 490 521 A S H 3> S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 5,-0.5 0.816 99.5 55.0 -58.3 -36.4 -28.8 46.7 16.5 491 522 A M H 3> S+ 0 0 5 -3,-0.4 4,-1.1 -15,-0.2 -1,-0.3 0.858 116.9 37.3 -66.0 -35.4 -27.1 50.0 15.6 492 523 A I H S+ 0 0 22 -4,-2.0 4,-2.9 -5,-0.2 5,-0.5 0.887 100.8 55.5 -57.5 -46.2 -24.0 49.1 8.4 497 528 A P H >5S+ 0 0 2 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.925 115.5 39.3 -51.5 -48.0 -26.2 47.5 5.6 498 529 A F H X5S+ 0 0 12 -4,-1.0 4,-1.5 2,-0.1 -2,-0.2 0.915 119.3 48.7 -64.1 -45.2 -27.6 51.0 4.9 499 530 A S H X5S+ 0 0 19 -4,-2.9 4,-1.9 2,-0.2 3,-0.3 0.958 113.7 39.9 -64.7 -58.6 -24.2 52.7 5.3 500 531 A L H X5S+ 0 0 11 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.839 114.1 54.9 -64.8 -36.2 -21.9 50.5 3.2 501 532 A K H X< S+ 0 0 3 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.977 123.1 33.1 -70.5 -58.2 -20.9 54.4 0.1 504 535 A L H 3< S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.619 109.0 70.2 -76.3 -13.6 -20.1 51.7 -2.4 505 536 A G H 3< S+ 0 0 1 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.717 71.7 112.8 -74.3 -23.5 -23.4 52.3 -4.2 506 537 A N S X< S- 0 0 7 -3,-0.9 3,-2.2 -4,-0.6 4,-0.3 -0.238 79.0-123.0 -48.0 133.4 -22.2 55.7 -5.4 507 538 A P G > S+ 0 0 6 0, 0.0 3,-1.6 0, 0.0 6,-0.5 0.745 108.1 69.1 -56.7 -27.3 -21.8 55.6 -9.3 508 539 A I G 3 S+ 0 0 0 1,-0.3 -2,-0.1 5,-0.1 -4,-0.1 0.718 93.5 59.3 -63.4 -20.9 -18.1 56.6 -8.9 509 540 A C G < S+ 0 0 0 -3,-2.2 -1,-0.3 -6,-0.2 -174,-0.1 0.536 86.4 102.0 -84.6 -9.0 -17.5 53.1 -7.4 510 541 A S S <> S- 0 0 0 -3,-1.6 4,-2.7 -4,-0.3 3,-0.4 -0.327 86.5-114.0 -72.1 157.0 -18.8 51.4 -10.6 511 542 A P T 4 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.841 117.0 56.6 -56.8 -34.8 -16.4 49.9 -13.2 512 543 A E T 4 S+ 0 0 41 137,-0.3 -4,-0.1 1,-0.2 3,-0.1 0.847 117.8 30.2 -66.3 -36.9 -17.6 52.6 -15.7 513 544 A Y T 4 S+ 0 0 0 -6,-0.5 2,-2.8 -3,-0.4 5,-0.2 0.764 94.0 89.3 -96.2 -30.5 -16.6 55.5 -13.4 514 545 A W < + 0 0 10 -4,-2.7 2,-0.3 -7,-0.2 -1,-0.1 -0.322 65.8 116.4 -75.5 63.8 -13.6 54.2 -11.4 515 546 A K S >> S- 0 0 17 -2,-2.8 3,-0.6 -3,-0.1 4,-0.5 -0.886 74.9-118.4-127.7 159.1 -11.0 55.3 -14.0 516 547 A A G >4>S+ 0 0 9 -2,-0.3 3,-0.8 1,-0.2 5,-0.6 0.820 112.0 60.5 -66.0 -33.1 -8.1 57.8 -13.9 517 548 A S G >45S+ 0 0 16 1,-0.2 3,-1.3 3,-0.2 -1,-0.2 0.776 93.4 66.0 -64.6 -29.4 -9.7 60.0 -16.7 518 549 A T G <45S+ 0 0 2 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.816 108.8 37.8 -61.3 -33.2 -12.8 60.6 -14.5 519 550 A F G <<5S- 0 0 0 -3,-0.8 -1,-0.3 -4,-0.5 5,-0.3 0.113 128.6 -92.5-109.0 17.9 -10.7 62.5 -12.0 520 551 A G T <>5S- 0 0 0 -3,-1.3 4,-0.7 4,-0.1 3,-0.3 0.992 80.6 -44.8 68.6 65.2 -8.5 64.2 -14.6 521 552 A G H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.804 127.7 64.2 -65.8 -33.6 -3.4 60.2 -12.2 523 554 A V H > S+ 0 0 51 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.922 105.7 43.0 -58.6 -48.8 -3.1 63.3 -10.0 524 555 A G H X S+ 0 0 0 -4,-0.7 4,-0.9 -3,-0.3 -1,-0.2 0.782 112.8 54.6 -68.0 -28.4 -6.9 63.4 -9.3 525 556 A F H X S+ 0 0 15 -4,-1.1 4,-2.3 2,-0.2 3,-0.3 0.889 107.0 48.6 -73.7 -41.4 -7.0 59.7 -8.8 526 557 A N H X S+ 0 0 71 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.794 102.9 64.2 -66.2 -31.4 -4.3 59.7 -6.1 527 558 A L H < S+ 0 0 10 -4,-1.4 4,-0.2 -5,-0.2 -1,-0.2 0.868 109.2 39.3 -58.0 -39.8 -6.2 62.5 -4.4 528 559 A V H >< S+ 0 0 0 -4,-0.9 3,-1.0 -3,-0.3 -2,-0.2 0.944 116.8 49.8 -72.0 -51.1 -9.0 60.1 -3.8 529 560 A K H 3< S+ 0 0 86 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.759 119.6 34.5 -62.7 -30.6 -6.8 57.1 -3.0 530 561 A T T 3< S+ 0 0 75 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.247 84.3 135.2-112.7 11.3 -4.6 58.9 -0.4 531 562 A A < + 0 0 4 -3,-1.0 2,-0.3 -4,-0.2 3,-0.1 -0.318 25.0 170.0 -64.5 141.3 -7.2 61.2 1.2 532 563 A T > - 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0 0 12 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.750 64.4-108.2-111.2 156.3 -17.2 46.6 -36.4 996 473 B K - 0 0 170 -2,-0.3 2,-0.2 1,-0.1 3,-0.0 -0.598 39.6-112.2 -74.7 140.4 -14.6 47.4 -39.0 997 474 B P - 0 0 52 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.507 35.9-105.6 -69.3 145.1 -14.7 51.0 -40.4 998 475 B Y - 0 0 6 -2,-0.2 -11,-0.1 1,-0.1 3,-0.1 -0.542 21.4-158.8 -73.3 135.2 -15.6 51.2 -44.1 999 476 B T S S+ 0 0 117 -2,-0.2 2,-0.3 1,-0.1 22,-0.2 0.623 74.5 13.3 -88.5 -16.0 -12.7 52.0 -46.4 1000 477 B S > - 0 0 34 21,-0.1 4,-0.8 20,-0.1 -1,-0.1 -0.966 67.6-119.7-152.8 163.5 -15.0 53.2 -49.2 1001 478 B F H > S+ 0 0 0 -2,-0.3 4,-2.4 2,-0.2 5,-0.3 0.782 112.8 63.0 -74.5 -30.3 -18.5 54.3 -50.0 1002 479 B Q H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.840 102.7 49.7 -61.4 -36.1 -18.7 51.5 -52.6 1003 480 B E H 4 S+ 0 0 81 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.818 110.9 51.0 -71.2 -34.1 -18.3 49.0 -49.7 1004 481 B L H < S+ 0 0 0 -4,-0.8 30,-3.1 1,-0.1 -2,-0.2 0.930 120.1 30.3 -68.3 -49.4 -21.1 50.8 -47.8 1005 482 B T H < S- 0 0 13 -4,-2.4 30,-0.2 28,-0.2 -2,-0.2 0.801 86.2-142.9 -86.1 -33.0 -23.8 50.8 -50.5 1006 483 B G S < S+ 0 0 59 -4,-1.8 -4,-0.1 1,-0.4 2,-0.1 -0.090 78.9 76.3 90.0 -35.0 -22.9 47.6 -52.4 1007 484 B E S S- 0 0 66 1,-0.1 -1,-0.4 0, 0.0 -2,-0.2 -0.176 78.2-132.9 -90.6-168.5 -23.9 49.5 -55.6 1008 485 B K S > S+ 0 0 172 -3,-0.1 4,-1.5 3,-0.1 -1,-0.1 0.688 86.2 61.4-123.0 -29.8 -21.8 52.1 -57.5 1009 486 B E H > S+ 0 0 153 2,-0.2 4,-1.4 1,-0.2 3,-0.2 0.962 108.7 39.9 -72.4 -55.2 -24.0 55.2 -58.4 1010 487 B M H > S+ 0 0 20 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.854 113.9 58.3 -59.0 -37.4 -25.0 56.4 -54.9 1011 488 B A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.874 103.1 51.4 -60.7 -42.5 -21.5 55.6 -53.7 1012 489 B A H X S+ 0 0 55 -4,-1.5 4,-1.3 -3,-0.2 -1,-0.2 0.894 111.8 44.4 -65.0 -44.5 -19.8 57.9 -56.2 1013 490 B E H X S+ 0 0 43 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.799 112.9 51.6 -74.2 -30.8 -21.9 61.0 -55.4 1014 491 B L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.4 0.836 109.2 51.3 -70.0 -34.8 -21.6 60.4 -51.7 1015 492 B E H X S+ 0 0 88 -4,-1.7 4,-0.9 3,-0.2 -2,-0.2 0.793 112.8 47.2 -69.7 -30.6 -17.9 60.2 -52.2 1016 493 B E H < S+ 0 0 113 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.933 116.3 41.5 -73.2 -51.0 -18.1 63.5 -54.0 1017 494 B L H < S+ 0 0 34 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.925 126.9 31.2 -65.2 -48.8 -20.3 65.3 -51.5 1018 495 B Y H < S- 0 0 3 -4,-2.4 -327,-0.4 -5,-0.2 2,-0.4 0.794 87.7-150.3 -82.1 -31.4 -18.5 64.1 -48.3 1019 496 B G S < S+ 0 0 31 -4,-0.9 2,-0.3 -5,-0.4 -4,-0.1 -0.133 74.2 41.7 87.4 -38.5 -15.0 63.8 -49.8 1020 497 B D S > S- 0 0 51 -2,-0.4 3,-1.0 -6,-0.2 4,-0.2 -0.987 72.6-133.4-141.9 147.7 -14.1 60.9 -47.5 1021 498 B I G > S+ 0 0 12 -2,-0.3 3,-1.1 1,-0.2 -34,-0.3 0.809 108.9 60.0 -68.2 -31.4 -15.8 57.8 -46.1 1022 499 B D G 3 S+ 0 0 55 1,-0.2 -1,-0.2 -23,-0.1 -333,-0.2 0.449 98.7 60.6 -76.1 -0.5 -14.7 58.6 -42.6 1023 500 B A G < S+ 0 0 1 -3,-1.0 -1,-0.2 -38,-0.1 -2,-0.2 0.502 77.5 119.9-101.0 -9.9 -16.6 61.9 -42.9 1024 501 B L < - 0 0 0 -3,-1.1 -38,-2.7 -4,-0.2 -37,-0.3 -0.246 63.6-118.7 -57.4 141.7 -20.0 60.2 -43.4 1025 502 B E > - 0 0 1 -40,-0.2 4,-1.9 -39,-0.1 5,-0.1 -0.415 15.9-113.4 -87.0 161.6 -22.7 60.9 -40.8 1026 503 B F H > S+ 0 0 2 -42,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.923 108.7 37.3 -57.9 -56.6 -24.4 58.6 -38.4 1027 504 B Y H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.883 117.8 47.3 -75.1 -42.5 -28.0 58.7 -39.8 1028 505 B P H > S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.906 112.8 53.3 -59.8 -39.2 -27.3 58.8 -43.5 1029 506 B G H X S+ 0 0 0 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.809 105.7 53.2 -63.5 -32.7 -24.8 56.0 -43.0 1030 507 B L H < S+ 0 0 1 -4,-1.3 12,-0.4 1,-0.2 -1,-0.2 0.784 115.8 37.2 -73.9 -29.8 -27.4 53.8 -41.2 1031 508 B L H < S+ 0 0 3 -4,-1.2 -72,-0.3 -3,-0.3 -71,-0.3 0.731 115.3 49.8 -96.6 -26.9 -30.0 54.1 -44.0 1032 509 B L H < S+ 0 0 3 -4,-1.9 -2,-0.1 -5,-0.2 -3,-0.1 0.500 85.3 111.4 -92.6 -6.1 -27.8 54.0 -47.1 1033 510 B E S < S- 0 0 0 -4,-0.6 -74,-1.1 -5,-0.2 -28,-0.2 -0.438 81.8 -95.0 -69.9 140.0 -25.9 50.9 -46.0 1034 511 B K - 0 0 88 -30,-3.1 9,-0.4 -31,-0.2 2,-0.2 -0.282 42.0-127.9 -53.5 132.2 -26.4 47.7 -48.0 1035 512 B C - 0 0 20 7,-0.2 7,-0.3 -30,-0.2 3,-0.1 -0.512 26.3 -97.9 -80.1 152.5 -29.0 45.4 -46.4 1036 513 B H > - 0 0 24 5,-1.3 3,-2.2 -2,-0.2 -1,-0.1 -0.402 66.6 -70.6 -59.2 146.0 -28.3 41.8 -45.5 1037 514 B P T 3 S- 0 0 117 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.192 120.7 -5.3 -44.2 123.6 -29.7 39.5 -48.3 1038 515 B N T 3 S+ 0 0 135 1,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.791 108.2 132.9 56.0 36.4 -33.5 39.8 -48.0 1039 516 B S < - 0 0 12 -3,-2.2 -1,-0.2 1,-0.1 -4,-0.1 -0.679 67.1-123.0-113.0 168.5 -33.4 41.9 -44.8 1040 517 B I S S- 0 0 0 -165,-0.3 -82,-2.8 -2,-0.2 2,-0.3 0.809 90.2 -9.6 -78.6 -33.6 -35.1 45.0 -43.6 1041 518 B F S S- 0 0 7 -84,-0.2 -5,-1.3 -85,-0.1 -1,-0.1 -0.915 79.7 -81.0-152.3-179.7 -31.8 46.9 -43.0 1042 519 B G >> - 0 0 0 -12,-0.4 4,-0.8 -7,-0.3 3,-0.6 -0.074 49.7 -91.6 -80.0-177.5 -28.0 46.5 -42.9 1043 520 B E H 3> S+ 0 0 21 -9,-0.4 4,-3.4 1,-0.2 3,-0.4 0.823 117.4 64.2 -67.0 -33.4 -25.7 45.2 -40.1 1044 521 B S H 3> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 5,-0.3 0.780 97.8 55.2 -66.4 -28.5 -25.1 48.6 -38.5 1045 522 B M H <> S+ 0 0 5 -3,-0.6 4,-1.0 -15,-0.2 -1,-0.2 0.849 117.6 36.6 -71.2 -34.4 -28.8 49.0 -37.6 1046 523 B I H X S+ 0 0 24 -4,-0.8 4,-3.3 -3,-0.4 -2,-0.2 0.965 118.8 46.4 -76.3 -60.0 -28.6 45.6 -35.7 1047 524 B E H < S+ 0 0 29 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.699 125.1 33.4 -61.5 -24.2 -25.0 45.9 -34.3 1048 525 B M H X S+ 0 0 0 -4,-1.4 4,-0.6 -5,-0.3 -1,-0.2 0.773 123.4 44.0 -96.4 -35.3 -25.6 49.4 -33.1 1049 526 B G H X S+ 0 0 5 -4,-1.0 4,-2.1 -5,-0.3 5,-0.2 0.813 102.1 63.7 -82.7 -34.1 -29.4 49.2 -32.2 1050 527 B A H X S+ 0 0 16 -4,-3.3 4,-2.2 1,-0.2 5,-0.3 0.881 99.0 53.4 -60.2 -43.7 -29.4 45.8 -30.4 1051 528 B P H > S+ 0 0 2 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.866 112.6 45.5 -60.7 -36.5 -27.2 47.0 -27.5 1052 529 B F H X S+ 0 0 8 -4,-0.6 4,-1.6 -3,-0.2 -2,-0.2 0.938 115.6 43.0 -70.1 -50.7 -29.5 50.0 -26.8 1053 530 B S H X S+ 0 0 25 -4,-2.1 4,-1.9 2,-0.2 -3,-0.1 0.842 115.3 47.2 -70.8 -36.5 -32.8 48.2 -27.0 1054 531 B L H X S+ 0 0 12 -4,-2.2 4,-2.4 2,-0.2 5,-0.4 0.859 112.7 49.3 -74.7 -35.9 -31.9 45.1 -25.0 1055 532 B K H X S+ 0 0 8 -4,-1.2 4,-1.0 -5,-0.3 -2,-0.2 0.828 113.1 49.7 -65.5 -34.9 -30.3 47.2 -22.2 1056 533 B G H < S+ 0 0 9 -4,-1.6 -305,-0.5 2,-0.2 -2,-0.2 0.857 115.6 41.6 -71.0 -38.4 -33.4 49.3 -22.2 1057 534 B L H >< S+ 0 0 6 -4,-1.9 3,-1.1 2,-0.2 -2,-0.2 0.968 124.3 32.8 -75.1 -57.8 -35.7 46.2 -22.0 1058 535 B L H 3< S+ 0 0 2 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.706 108.4 70.1 -73.8 -21.5 -33.9 44.1 -19.5 1059 536 B G T 3< S+ 0 0 2 -4,-1.0 -1,-0.2 -5,-0.4 -2,-0.2 0.485 72.7 113.9 -74.7 -4.0 -32.6 47.1 -17.6 1060 537 B N S X S- 0 0 6 -3,-1.1 3,-2.8 1,-0.1 4,-0.2 -0.564 78.5-124.6 -67.6 129.7 -36.1 47.7 -16.4 1061 538 B P G > S+ 0 0 5 0, 0.0 3,-1.6 0, 0.0 6,-0.5 0.685 107.0 69.5 -52.2 -24.7 -36.3 47.3 -12.6 1062 539 B I G 3 S+ 0 0 0 1,-0.3 -4,-0.1 5,-0.1 -3,-0.1 0.719 92.6 60.1 -67.2 -19.8 -39.1 44.7 -13.0 1063 540 B C G < S+ 0 0 0 -3,-2.8 -1,-0.3 -6,-0.2 -174,-0.2 0.395 86.4 102.8 -86.0 0.7 -36.4 42.4 -14.5 1064 541 B S S <> S- 0 0 0 -3,-1.6 4,-3.4 -4,-0.2 3,-0.4 -0.498 85.2-116.8 -81.7 154.4 -34.4 42.5 -11.3 1065 542 B P T 4 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.817 116.4 56.2 -57.0 -32.0 -34.3 39.6 -8.7 1066 543 B E T 4 S+ 0 0 52 -971,-0.2 -4,-0.1 1,-0.1 3,-0.1 0.857 119.8 27.8 -67.5 -38.6 -35.9 42.1 -6.2 1067 544 B Y T 4 S+ 0 0 0 -6,-0.5 2,-3.2 -3,-0.4 5,-0.3 0.841 95.7 88.8 -93.6 -39.6 -38.9 42.9 -8.4 1068 545 B W < + 0 0 4 -4,-3.4 2,-0.3 -7,-0.2 -1,-0.1 -0.272 66.1 117.0 -67.7 65.4 -39.3 39.7 -10.6 1069 546 B K S S- 0 0 18 -2,-3.2 4,-0.5 1,-0.1 3,-0.3 -0.884 75.4-118.5-128.1 158.5 -41.7 38.0 -8.1 1070 547 B A S > >S+ 0 0 5 -2,-0.3 5,-2.6 1,-0.2 3,-1.4 0.867 111.6 62.1 -64.3 -37.7 -45.3 36.9 -8.3 1071 548 B S G > 5S+ 0 0 18 1,-0.3 3,-2.2 3,-0.2 -1,-0.2 0.843 91.6 65.7 -57.4 -37.8 -46.3 39.3 -5.5 1072 549 B T G 3 5S+ 0 0 5 -3,-0.3 -1,-0.3 -5,-0.3 -2,-0.2 0.790 107.4 41.9 -53.7 -30.5 -45.2 42.3 -7.5 1073 550 B F G < >S- 0 0 0 -3,-1.4 5,-0.6 -4,-0.5 -1,-0.3 -0.026 128.2 -95.2-111.3 26.3 -48.0 41.5 -9.9 1074 551 B G T < 5S- 0 0 3 -3,-2.2 2,-0.3 4,-0.1 -3,-0.2 0.644 83.2 -51.1 71.3 17.3 -50.6 40.6 -7.2 1075 552 B G T >5S+ 0 0 111 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.748 125.6 64.3 -70.5 -26.1 -49.6 34.1 -9.9 1077 554 B V H >5S+ 0 0 56 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.952 109.3 36.5 -64.4 -51.9 -52.5 35.5 -12.0 1078 555 B G H >< S+ 0 0 0 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.926 114.7 49.2 -68.1 -46.8 -46.8 38.7 -18.2 1083 560 B K H 3< S+ 0 0 79 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.629 120.8 35.9 -68.8 -16.3 -45.4 35.2 -18.9 1084 561 B T T 3< S+ 0 0 63 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.133 83.8 141.6-125.6 19.1 -48.1 34.5 -21.5 1085 562 B A < + 0 0 8 -3,-1.0 2,-0.3 -5,-0.1 3,-0.1 -0.298 22.2 173.4 -64.4 145.2 -48.5 38.0 -23.1 1086 563 B T > - 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