==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-SEP-08 3EL3 . COMPND 2 MOLECULE: PUTATIVE CYTOCHROME P450; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR B.ZHAO,M.R.WATERMAN . 834 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 576 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 7.7 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 48 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 323 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 10 2 1 2 1 2 0 0 0 2 2 2 2 2 2 0 1 1 0 0 0 0 0 0 0 1 1 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 0 5 2 5 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 ANTIPARALLEL BRIDGES PER LADDER . 6 2 0 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 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 22 A R 0 0 178 0, 0.0 310,-0.2 0, 0.0 306,-0.0 0.000 360.0 360.0 360.0 123.1 -57.4 -22.4 -7.7 2 23 A E B -a 311 0A 107 308,-0.9 310,-2.1 0, 0.0 0, 0.0 -0.990 360.0-127.7-137.9 128.2 -59.0 -20.7 -10.7 3 24 A P - 0 0 75 0, 0.0 310,-0.1 0, 0.0 35,-0.1 -0.540 44.8 -88.2 -76.2 141.3 -57.6 -20.1 -14.2 4 25 A P - 0 0 4 0, 0.0 33,-0.2 0, 0.0 2,-0.2 0.184 38.1-111.5 -42.6 155.4 -57.7 -16.5 -15.5 5 26 A V E -c 37 0B 74 31,-0.8 33,-3.9 28,-0.1 2,-0.2 -0.546 29.7-121.2 -88.8 154.7 -60.5 -14.8 -17.4 6 27 A A E -c 38 0B 66 31,-0.2 33,-0.2 -2,-0.2 -1,-0.1 -0.593 14.7-151.1 -96.5 163.6 -60.3 -13.8 -21.1 7 28 A G - 0 0 26 31,-0.7 -1,-0.1 -2,-0.2 32,-0.1 0.934 36.7 -84.3 -97.8 -72.2 -60.7 -10.3 -22.6 8 29 A G + 0 0 41 32,-0.1 2,-0.1 2,-0.1 10,-0.1 0.048 54.7 128.2 152.1 100.0 -62.1 -9.8 -26.1 9 30 A G - 0 0 48 8,-0.1 6,-0.2 1,-0.1 5,-0.2 -0.353 44.1 -63.8-137.2-144.3 -60.6 -9.8 -29.7 10 31 A V - 0 0 62 4,-1.8 32,-0.2 3,-0.4 6,-0.2 -0.751 46.8 -89.8-119.6 165.7 -60.9 -11.2 -33.2 11 32 A P S > S+ 0 0 114 0, 0.0 3,-0.7 0, 0.0 31,-0.1 0.835 111.0 12.1 -30.7 -99.3 -60.6 -14.5 -35.2 12 33 A L T 3 S+ 0 0 142 1,-0.3 2,-0.1 2,-0.1 4,-0.0 0.601 141.2 33.3 -64.7 -17.5 -57.0 -15.2 -36.3 13 34 A L T 3> S- 0 0 67 1,-0.2 4,-1.0 29,-0.2 -3,-0.4 -0.508 76.2-175.3-143.7 67.9 -55.5 -12.5 -34.2 14 35 A G T X4 S- 0 0 10 -3,-0.7 -4,-1.8 1,-0.2 3,-0.9 0.814 82.4 -8.9 -28.3-103.2 -57.5 -12.2 -31.0 15 36 A H T 3> S+ 0 0 7 25,-3.0 4,-2.1 1,-0.2 5,-0.4 0.691 114.2 97.0 -76.8 -19.8 -56.2 -9.3 -29.0 16 37 A G T 34 S+ 0 0 23 24,-1.0 4,-0.4 1,-0.2 -1,-0.2 0.719 89.0 44.9 -41.2 -21.7 -53.4 -9.2 -31.5 17 38 A W T XX S+ 0 0 139 -4,-1.0 4,-2.1 -3,-0.9 3,-0.9 0.936 107.1 48.1 -90.6 -61.7 -55.5 -6.5 -33.1 18 39 A R H 3> S+ 0 0 86 -4,-0.5 4,-1.7 1,-0.3 8,-0.2 0.907 113.7 53.9 -45.1 -43.3 -56.7 -4.1 -30.4 19 40 A L H 3< S+ 0 0 46 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.861 107.5 52.3 -56.7 -41.7 -53.1 -4.2 -29.3 20 41 A A H <4 S+ 0 0 76 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.860 106.3 49.6 -63.0 -45.2 -52.1 -3.1 -32.9 21 42 A R H < S- 0 0 203 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.809 140.4 -11.4 -69.7 -31.1 -54.3 -0.2 -33.1 22 43 A D X - 0 0 83 -4,-1.7 4,-1.9 -5,-0.3 3,-0.4 -0.341 57.7-176.6-172.8 86.6 -53.0 1.1 -29.8 23 44 A P H > S+ 0 0 21 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.922 85.0 56.2 -50.6 -56.9 -50.9 -0.9 -27.3 24 45 A L H > S+ 0 0 11 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.859 110.8 44.5 -48.7 -41.8 -50.7 1.7 -24.5 25 46 A A H > S+ 0 0 53 -3,-0.4 4,-3.0 1,-0.2 3,-0.3 0.908 109.9 55.6 -71.6 -39.7 -54.5 1.9 -24.2 26 47 A F H X S+ 0 0 6 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.802 105.6 52.8 -62.1 -29.1 -54.9 -1.9 -24.4 27 48 A M H < S+ 0 0 15 -4,-1.9 -1,-0.2 2,-0.2 4,-0.2 0.810 112.8 43.4 -74.4 -33.7 -52.5 -2.2 -21.4 28 49 A S H >< S+ 0 0 20 -4,-1.2 3,-1.4 -3,-0.3 4,-0.3 0.894 112.5 51.8 -79.0 -42.1 -54.5 0.1 -19.3 29 50 A Q H >X S+ 0 0 31 -4,-3.0 3,-2.0 1,-0.3 4,-0.6 0.973 99.3 64.0 -57.4 -55.6 -57.9 -1.3 -20.4 30 51 A L T 3< S+ 0 0 3 -4,-1.9 3,-0.4 1,-0.3 4,-0.3 0.676 84.9 82.7 -41.2 -22.0 -56.8 -4.8 -19.4 31 52 A R T <4 S+ 0 0 43 -3,-1.4 3,-0.4 1,-0.2 -1,-0.3 0.796 93.2 39.9 -55.8 -38.1 -56.5 -3.5 -15.8 32 53 A D T <4 S+ 0 0 113 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.676 93.5 82.3 -88.7 -20.1 -60.2 -3.9 -15.0 33 54 A H S < S- 0 0 68 -4,-0.6 2,-0.2 -3,-0.4 -1,-0.2 0.597 114.8 -53.8 -60.5 -14.6 -60.8 -7.3 -16.7 34 55 A G - 0 0 18 -3,-0.4 16,-0.3 -4,-0.3 3,-0.2 -0.716 55.5 -86.1 151.1 160.9 -59.3 -9.1 -13.7 35 56 A D S S+ 0 0 67 1,-0.3 15,-2.0 -2,-0.2 16,-0.5 0.818 123.8 11.1 -60.3 -32.7 -56.2 -9.1 -11.4 36 57 A V E S- D 0 49B 1 13,-0.2 -31,-0.8 14,-0.2 -1,-0.3 -0.957 83.8-179.3-146.4 124.2 -54.7 -11.5 -13.9 37 58 A V E -cD 5 48B 0 11,-1.8 11,-2.6 -2,-0.3 2,-0.4 -0.826 24.1-123.9-124.0 165.4 -56.4 -12.1 -17.3 38 59 A R E -cD 6 47B 71 -33,-3.9 -31,-0.7 -2,-0.3 2,-0.3 -0.882 26.9-176.1-110.9 144.7 -55.6 -14.2 -20.2 39 60 A I E - D 0 46B 7 7,-2.0 7,-2.4 -2,-0.4 2,-0.5 -0.968 15.0-142.6-137.5 149.7 -55.3 -12.7 -23.7 40 61 A K E - D 0 45B 108 -2,-0.3 -25,-3.0 5,-0.2 2,-1.1 -0.955 10.0-172.1-119.9 117.4 -54.7 -14.3 -27.1 41 62 A L E > S- D 0 44B 44 3,-1.4 3,-0.6 -2,-0.5 -28,-0.1 -0.823 76.4 -50.2-103.5 93.0 -52.5 -12.8 -29.8 42 63 A G T 3 S- 0 0 17 -2,-1.1 -29,-0.2 -32,-0.2 -27,-0.2 -0.517 118.5 -15.5 76.1-152.2 -53.4 -15.3 -32.5 43 64 A P T 3 S+ 0 0 131 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.818 121.0 67.4 -55.6 -44.9 -53.1 -19.1 -31.6 44 65 A K E < S-D 41 0B 179 -3,-0.6 -3,-1.4 1,-0.0 2,-0.3 -0.559 71.8-137.0 -90.0 151.7 -51.1 -18.8 -28.4 45 66 A T E -D 40 0B 47 -2,-0.2 273,-0.4 -5,-0.2 2,-0.3 -0.746 15.7-175.3-106.5 146.8 -52.0 -17.4 -25.0 46 67 A V E -D 39 0B 12 -7,-2.4 -7,-2.0 -2,-0.3 2,-0.4 -0.830 21.8-126.4-129.9 169.0 -50.2 -15.2 -22.6 47 68 A Y E -De 38 319B 26 271,-2.2 273,-3.8 -2,-0.3 2,-0.4 -0.971 15.4-155.5-122.7 137.3 -51.2 -14.0 -19.2 48 69 A A E -De 37 320B 4 -11,-2.6 -11,-1.8 -2,-0.4 2,-0.6 -0.905 4.1-152.2-112.1 139.3 -51.2 -10.4 -18.2 49 70 A V E +D 36 0B 5 271,-1.5 273,-0.5 -2,-0.4 -13,-0.2 -0.960 15.0 177.1-114.0 114.7 -50.9 -9.3 -14.5 50 71 A T + 0 0 15 -15,-2.0 -14,-0.2 -2,-0.6 -1,-0.1 0.180 49.7 89.3-104.3 15.8 -52.6 -6.0 -13.9 51 72 A N > - 0 0 31 -16,-0.5 4,-3.2 1,-0.1 5,-0.3 -0.956 68.9-138.1-118.8 124.3 -52.1 -5.5 -10.1 52 73 A P H > S+ 0 0 7 0, 0.0 4,-1.7 0, 0.0 5,-0.3 0.891 105.1 49.1 -39.8 -56.0 -49.1 -3.8 -8.5 53 74 A E H >> S+ 0 0 75 1,-0.2 4,-3.0 2,-0.2 3,-0.7 0.940 113.8 43.4 -52.2 -57.0 -48.9 -6.4 -5.7 54 75 A L H 3> S+ 0 0 10 1,-0.2 4,-4.4 2,-0.2 -1,-0.2 0.890 112.8 55.1 -59.1 -36.9 -49.0 -9.4 -8.1 55 76 A T H 3X S+ 0 0 5 -4,-3.2 4,-1.2 2,-0.2 -1,-0.2 0.753 111.2 44.0 -67.7 -25.3 -46.6 -7.6 -10.4 56 77 A G H < - 0 0 31 -4,-1.2 3,-1.0 -5,-0.2 302,-0.1 -0.840 63.8-155.6 -97.3 119.6 -40.4 -14.6 -7.6 62 83 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.510 81.6 85.9 -69.5 -3.8 -37.4 -16.6 -8.8 63 84 A D T 3 S+ 0 0 77 1,-0.1 240,-1.9 240,-0.1 241,-0.7 0.343 73.0 80.2 -80.2 5.9 -39.8 -19.0 -10.5 64 85 A Y E < -F 302 0B 5 -3,-1.0 238,-0.2 238,-0.2 -1,-0.1 -0.855 61.5-169.0-120.3 98.3 -40.1 -16.8 -13.6 65 86 A H E -F 301 0B 56 236,-1.4 236,-3.0 -2,-0.6 3,-0.4 -0.367 27.3-121.6 -73.1 163.7 -37.3 -17.2 -16.1 66 87 A I S S+ 0 0 25 22,-0.4 233,-0.1 234,-0.2 -1,-0.1 -0.290 73.7 118.3-113.3 52.5 -37.3 -14.5 -18.8 67 88 A A > - 0 0 15 -2,-0.2 5,-1.0 234,-0.2 4,-0.3 0.904 49.7-179.6 -70.8 -38.7 -37.5 -16.2 -22.1 68 89 A G T >>5 - 0 0 0 -3,-0.4 4,-1.7 3,-0.2 3,-0.6 0.880 31.1-125.9 33.4 85.5 -40.7 -14.2 -22.1 69 90 A P T 345S+ 0 0 23 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.443 104.2 48.1 -26.1 -38.8 -42.1 -15.2 -25.7 70 91 A L T 345S+ 0 0 106 2,-0.1 -2,-0.1 3,-0.1 -3,-0.0 -0.267 122.5 37.9-107.9 41.1 -42.6 -11.7 -27.3 71 92 A W T X>5S+ 0 0 112 -3,-0.6 4,-1.1 -4,-0.3 3,-0.7 0.207 115.8 48.0-150.0 -49.9 -39.1 -10.8 -26.1 72 93 A E H 3X S+ 0 0 61 -3,-0.7 4,-1.9 2,-0.1 -2,-0.3 0.629 118.3 58.5-100.7 -25.5 -36.2 -11.4 -30.7 75 96 A E H < S+ 0 0 8 -4,-1.1 11,-0.5 2,-0.3 -3,-0.2 0.693 99.8 56.3 -78.5 -22.9 -33.8 -12.7 -28.0 76 97 A G T < S+ 0 0 56 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.1 0.754 118.1 36.2 -74.8 -25.9 -33.4 -16.0 -29.9 77 98 A L T > S+ 0 0 28 1,-0.2 4,-6.3 -5,-0.1 3,-0.4 0.720 102.0 70.8 -91.4 -32.1 -32.4 -13.6 -32.7 78 99 A L T < S+ 0 0 14 -4,-1.9 6,-4.4 1,-0.3 -3,-0.2 0.535 81.2 82.5 -61.4 -2.5 -30.7 -11.3 -30.1 79 100 A G T 4 S- 0 0 29 4,-0.2 -1,-0.3 -5,-0.2 6,-0.3 -0.182 122.6 -3.9 -93.0 36.9 -28.5 -14.4 -30.3 80 101 A K T 4 S+ 0 0 83 -3,-0.4 -2,-0.3 4,-0.2 -3,-0.1 -0.119 132.8 68.5 169.1 -40.3 -27.1 -12.7 -33.4 81 102 A E S < S- 0 0 23 -4,-6.3 -3,-0.3 -7,-0.2 -2,-0.1 0.880 121.5 -36.8 -68.5 -42.7 -29.3 -9.7 -33.6 82 103 A G S S+ 0 0 21 -5,-0.3 145,-0.1 -8,-0.2 3,-0.1 0.030 127.5 31.6-142.4-105.7 -28.0 -7.9 -30.5 83 104 A V S S- 0 0 22 144,-0.1 2,-0.2 1,-0.1 144,-0.2 0.665 93.4-133.2 -33.1 -39.2 -26.9 -9.2 -27.1 84 105 A A + 0 0 8 -6,-4.4 -4,-0.2 142,-0.1 2,-0.2 -0.597 66.0 8.3 102.2-163.9 -25.6 -12.5 -28.7 85 106 A T S S- 0 0 121 -6,-0.3 2,-0.2 -2,-0.2 -6,-0.1 -0.246 118.4 -42.8 -55.7 112.4 -26.3 -16.0 -27.3 86 107 A A - 0 0 45 -11,-0.5 2,-0.2 -2,-0.2 -2,-0.1 -0.415 54.4-125.5 81.1-144.2 -28.9 -15.6 -24.5 87 108 A N S S- 0 0 57 -2,-0.2 -21,-0.1 -4,-0.1 -1,-0.1 -0.448 76.0 -21.3 155.3 137.6 -29.1 -13.1 -21.7 88 109 A G S S+ 0 0 6 -2,-0.2 -22,-0.4 4,-0.1 3,-0.1 0.533 72.3 165.0 6.7 73.6 -29.4 -14.0 -18.1 89 110 A P - 0 0 41 0, 0.0 -23,-0.1 0, 0.0 2,-0.1 0.598 56.9 -64.4 -74.5-118.7 -30.7 -17.6 -18.4 90 111 A L S S+ 0 0 113 1,-0.1 2,-5.9 2,-0.1 0, 0.0 -0.011 114.0 65.0-107.2-138.4 -30.1 -19.1 -15.0 91 112 A H + 0 0 99 1,-0.2 2,-4.4 -3,-0.1 4,-0.2 -0.141 60.0 177.1 54.3 -52.8 -26.9 -19.8 -13.1 92 113 A R + 0 0 34 -2,-5.9 3,-0.2 1,-0.2 -1,-0.2 -0.307 48.2 108.6 56.6 -69.8 -26.5 -16.0 -13.0 93 114 A R S >> S+ 0 0 73 -2,-4.4 3,-2.2 1,-0.4 2,-0.6 0.408 71.9 53.5 6.2 -72.9 -23.4 -16.8 -11.0 94 115 A Q T 34 S+ 0 0 110 1,-0.3 -1,-0.4 2,-0.1 -2,-0.1 0.177 108.4 61.4 -63.9 25.0 -21.1 -15.8 -13.8 95 116 A R T 34 S+ 0 0 41 -2,-0.6 3,-0.4 -3,-0.2 4,-0.3 0.259 72.7 78.8-136.4 10.0 -23.2 -12.6 -13.6 96 117 A R T X4 S+ 0 0 135 -3,-2.2 3,-0.8 1,-0.2 -2,-0.1 0.611 77.3 87.9 -85.2 -18.0 -22.7 -11.1 -10.1 97 118 A T T 3< S+ 0 0 27 -4,-0.5 4,-0.3 1,-0.2 -1,-0.2 0.837 82.9 54.9 -43.7 -36.6 -19.6 -10.0 -11.9 98 119 A I T >> S+ 0 0 21 -3,-0.4 3,-1.7 1,-0.2 4,-1.0 0.859 89.8 72.4 -69.6 -41.3 -21.6 -7.0 -13.0 99 120 A Q H X> S+ 0 0 50 -3,-0.8 4,-2.0 -4,-0.3 3,-0.8 0.837 88.8 59.8 -43.5 -50.1 -22.8 -5.8 -9.6 100 121 A P H 34 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.772 106.6 48.8 -53.9 -29.4 -19.3 -4.4 -8.5 101 122 A A H <4 S+ 0 0 0 -3,-1.7 -2,-0.2 -4,-0.3 107,-0.1 0.736 119.8 34.8 -83.7 -25.6 -19.3 -2.0 -11.4 102 123 A F H << S+ 0 0 4 -4,-1.0 270,-0.4 -3,-0.8 269,-0.3 0.523 88.4 116.5-106.9 -7.1 -22.9 -0.6 -10.9 103 124 A R S < S- 0 0 101 -4,-2.0 3,-0.5 -5,-0.2 4,-0.3 0.111 84.2-100.6 -53.5 174.7 -23.1 -0.6 -7.1 104 125 A L S S+ 0 0 93 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.652 122.6 60.9 -71.9 -15.0 -23.6 2.6 -5.1 105 126 A D S S+ 0 0 110 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.753 103.1 44.6 -82.0 -30.8 -19.9 2.4 -4.4 106 127 A A S S+ 0 0 4 -3,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.306 98.9 72.2-100.2 6.6 -18.6 2.5 -8.0 107 128 A I S >> S+ 0 0 0 -4,-0.3 3,-2.0 -3,-0.2 4,-1.4 0.859 84.3 62.4 -88.8 -39.8 -20.7 5.3 -9.2 108 129 A P T 34 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.684 101.6 56.7 -60.2 -14.6 -19.0 8.3 -7.4 109 130 A A T 34 S+ 0 0 52 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.617 105.6 48.8 -88.4 -16.4 -15.9 7.4 -9.4 110 131 A Y T <> S+ 0 0 3 -3,-2.0 4,-2.4 1,-0.1 -1,-0.2 0.638 88.6 94.5 -90.6 -22.8 -17.9 7.8 -12.7 111 132 A G H X S+ 0 0 0 -4,-1.4 4,-3.5 1,-0.2 5,-0.2 0.808 78.5 52.7 -36.8 -53.0 -19.1 11.1 -11.3 112 133 A P H > S+ 0 0 66 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.973 111.7 44.4 -54.1 -58.7 -16.4 13.3 -13.0 113 134 A I H > S+ 0 0 12 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.871 114.7 52.2 -54.0 -36.2 -17.1 11.9 -16.4 114 135 A M H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 3,-0.3 0.968 110.5 45.0 -63.5 -53.6 -20.8 12.3 -15.6 115 136 A E H X S+ 0 0 49 -4,-3.5 4,-2.0 1,-0.2 5,-0.4 0.923 114.3 52.3 -51.8 -47.8 -20.4 16.0 -14.6 116 137 A E H X S+ 0 0 100 -4,-3.1 4,-1.0 -5,-0.2 -1,-0.2 0.813 107.4 49.7 -59.9 -37.7 -18.2 16.5 -17.7 117 138 A E H X S+ 0 0 5 -4,-2.1 4,-1.6 -3,-0.3 -1,-0.2 0.866 114.1 47.4 -72.5 -34.9 -20.8 15.0 -20.1 118 139 A A H >X S+ 0 0 2 -4,-2.0 4,-1.7 2,-0.2 3,-1.1 0.999 112.0 42.8 -68.0 -75.0 -23.5 17.2 -18.7 119 140 A H H 3X S+ 0 0 42 -4,-2.0 4,-0.9 1,-0.3 5,-0.2 0.799 110.1 62.7 -43.9 -31.5 -22.0 20.6 -18.6 120 141 A A H >X S+ 0 0 37 -4,-1.0 3,-1.9 -5,-0.4 4,-1.9 0.972 100.7 49.4 -60.3 -51.7 -20.6 19.8 -22.0 121 142 A L H XX S+ 0 0 3 -4,-1.6 4,-3.0 -3,-1.1 3,-1.0 0.944 103.1 65.3 -47.1 -50.3 -24.1 19.5 -23.4 122 143 A T H 3< S+ 0 0 15 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.700 109.5 34.6 -43.5 -33.6 -24.7 22.9 -21.7 123 144 A E H << S+ 0 0 136 -3,-1.9 -1,-0.3 -4,-0.9 -2,-0.2 0.626 114.6 61.9 -96.3 -19.6 -22.2 24.6 -24.0 124 145 A R H << S+ 0 0 89 -4,-1.9 2,-0.5 -3,-1.0 -2,-0.2 0.929 100.3 54.9 -70.6 -49.9 -23.3 22.3 -26.8 125 146 A W S < S- 0 0 9 -4,-3.0 5,-0.1 -5,-0.1 -1,-0.1 -0.738 75.1-169.5 -87.6 129.8 -26.9 23.5 -26.9 126 147 A Q > - 0 0 94 -2,-0.5 3,-1.3 3,-0.2 -3,-0.1 -0.926 32.4 -89.9-121.3 147.4 -27.2 27.2 -27.3 127 148 A P T 3 S+ 0 0 56 0, 0.0 289,-0.2 0, 0.0 3,-0.1 -0.176 107.7 25.3 -52.3 139.8 -30.3 29.3 -26.9 128 149 A G T 3 S+ 0 0 47 287,-1.7 2,-0.8 1,-0.1 288,-0.1 -0.098 95.1 95.6 101.2 -41.1 -32.3 29.8 -30.0 129 150 A K S < S- 0 0 167 -3,-1.3 -3,-0.2 286,-0.1 -1,-0.1 -0.803 78.8-124.6 -92.0 112.6 -31.3 26.7 -31.9 130 151 A T - 0 0 41 -2,-0.8 2,-0.4 284,-0.2 284,-0.3 -0.205 24.5-122.5 -54.2 143.1 -33.9 23.9 -31.4 131 152 A V E -H 413 0C 4 282,-3.5 2,-1.3 -6,-0.1 282,-1.0 -0.772 11.5-131.5 -92.6 129.5 -32.3 20.7 -30.0 132 153 A D E > -H 412 0C 76 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 -0.700 25.1-168.7 -80.9 97.9 -32.9 17.6 -32.0 133 154 A A H > S+ 0 0 2 -2,-1.3 4,-2.6 278,-1.1 5,-0.5 0.823 76.3 51.4 -56.5 -42.7 -34.0 15.3 -29.2 134 155 A T H > S+ 0 0 37 277,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.926 119.5 34.0 -64.9 -47.3 -33.8 11.9 -30.9 135 156 A S H 4 S+ 0 0 58 2,-0.1 4,-0.5 1,-0.1 -2,-0.2 0.900 124.7 44.3 -74.5 -41.2 -30.3 12.3 -32.3 136 157 A E H X S+ 0 0 35 -4,-2.7 4,-1.6 2,-0.2 5,-0.2 0.815 111.9 47.0 -75.8 -36.7 -29.0 14.3 -29.2 137 158 A S H X S+ 0 0 1 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.864 107.9 58.5 -73.0 -36.2 -30.5 12.3 -26.3 138 159 A F H X S+ 0 0 10 -4,-0.8 4,-1.7 -5,-0.5 -1,-0.2 0.781 107.4 52.6 -61.4 -24.9 -29.3 9.2 -27.9 139 160 A R H > S+ 0 0 26 -4,-0.5 4,-1.7 2,-0.2 5,-0.2 0.987 103.4 45.6 -80.2 -62.6 -25.8 10.7 -27.7 140 161 A V H X S+ 0 0 2 -4,-1.6 4,-2.5 1,-0.2 5,-0.3 0.803 113.1 62.4 -50.3 -24.8 -25.1 11.9 -24.1 141 162 A A H X S+ 0 0 0 -4,-1.1 4,-2.4 -5,-0.2 5,-0.2 0.990 106.6 36.3 -59.6 -78.2 -26.5 8.4 -23.5 142 163 A V H X S+ 0 0 5 -4,-1.7 4,-3.0 1,-0.2 5,-0.4 0.902 119.4 52.6 -34.9 -70.7 -23.9 6.4 -25.3 143 164 A R H X S+ 0 0 35 -4,-1.7 4,-3.3 1,-0.2 5,-0.3 0.845 112.3 41.5 -34.2 -68.9 -21.2 8.8 -24.2 144 165 A V H X S+ 0 0 1 -4,-2.5 4,-2.1 -5,-0.2 5,-0.4 0.963 121.4 42.4 -47.0 -62.7 -22.0 8.7 -20.5 145 166 A A H >X S+ 0 0 8 -4,-2.4 4,-3.0 -5,-0.3 3,-0.7 0.956 122.0 37.4 -49.8 -66.5 -22.6 4.9 -20.5 146 167 A A H 3X S+ 0 0 5 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.947 116.5 54.0 -52.3 -54.4 -19.7 3.9 -22.6 147 168 A R H 3< S+ 0 0 35 -4,-3.3 -1,-0.2 -5,-0.4 -2,-0.2 0.704 117.7 34.4 -56.9 -26.9 -17.4 6.6 -21.1 148 169 A C H << S+ 0 0 0 -4,-2.1 -1,-0.2 -3,-0.7 -2,-0.2 0.842 119.2 49.0 -94.9 -39.1 -18.0 5.4 -17.6 149 170 A L H < S+ 0 0 5 -4,-3.0 60,-1.4 -5,-0.4 2,-0.3 0.391 126.0 23.1 -80.0 2.8 -18.3 1.7 -18.2 150 171 A L S < S- 0 0 9 -4,-1.0 2,-0.4 -5,-0.2 -1,-0.1 -0.934 77.9-153.6-162.3 143.2 -15.1 1.7 -20.3 151 172 A R + 0 0 96 -2,-0.3 2,-0.4 -3,-0.0 -4,-0.1 -0.965 48.8 20.3-139.6 135.2 -12.1 4.1 -20.2 152 173 A G S S+ 0 0 40 -2,-0.4 2,-0.4 -5,-0.1 -2,-0.0 -0.850 91.4 60.8 131.7-102.0 -9.4 5.4 -22.5 153 174 A Q S S- 0 0 116 -2,-0.4 2,-0.5 41,-0.1 45,-0.1 -0.535 85.3-116.6 -72.4 123.8 -9.7 5.2 -26.3 154 175 A Y - 0 0 105 -2,-0.4 4,-0.1 1,-0.2 3,-0.1 -0.502 31.4-178.6 -84.0 120.2 -12.6 7.1 -27.5 155 176 A M > + 0 0 12 -2,-0.5 4,-3.6 1,-0.2 3,-0.5 0.323 40.3 152.0 -81.8 -0.6 -15.5 5.5 -29.3 156 177 A D H > S- 0 0 72 1,-0.3 4,-1.3 2,-0.2 3,-0.4 0.550 70.7 -8.4 -0.5-122.2 -16.9 9.0 -29.5 157 178 A E H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.581 128.0 72.3 -72.1 -6.5 -19.2 9.6 -32.4 158 179 A R H > S+ 0 0 96 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.954 99.8 41.5 -74.2 -47.6 -18.3 6.2 -33.8 159 180 A A H X S+ 0 0 14 -4,-3.6 4,-1.9 -3,-0.4 5,-0.3 0.963 114.9 53.3 -62.5 -49.6 -20.2 4.2 -31.3 160 181 A E H X S+ 0 0 15 -4,-1.3 4,-2.4 -5,-0.5 3,-0.2 0.938 104.6 53.2 -47.4 -64.5 -23.1 6.6 -31.4 161 182 A R H X S+ 0 0 187 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.826 109.9 46.7 -38.2 -53.4 -23.6 6.5 -35.2 162 183 A L H X S+ 0 0 8 -4,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.922 113.7 46.2 -61.1 -50.4 -23.9 2.7 -35.5 163 184 A C H X S+ 0 0 33 -4,-1.9 4,-4.8 2,-0.2 -1,-0.2 0.819 115.2 51.6 -62.6 -31.8 -26.3 2.4 -32.6 164 185 A V H X S+ 0 0 52 -4,-2.4 4,-2.1 -5,-0.3 5,-0.3 0.990 110.6 42.6 -64.9 -75.6 -28.2 5.2 -34.1 165 186 A A H < S+ 0 0 30 -4,-3.2 4,-0.3 1,-0.2 -1,-0.2 0.746 121.0 52.5 -44.0 -18.6 -28.4 3.8 -37.6 166 187 A L H >X S+ 0 0 15 -4,-1.0 3,-2.8 -5,-0.3 4,-0.7 0.972 102.8 48.9 -82.0 -65.4 -29.2 0.8 -35.4 167 188 A A H >X S+ 0 0 5 -4,-4.8 3,-1.0 1,-0.3 4,-0.9 0.803 107.3 59.3 -43.9 -37.7 -32.0 2.0 -33.2 168 189 A T H 3X S+ 0 0 85 -4,-2.1 4,-1.0 1,-0.2 -1,-0.3 0.691 93.0 65.6 -69.9 -19.1 -33.8 3.3 -36.2 169 190 A V H <4 S+ 0 0 35 -3,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.771 98.9 54.8 -73.0 -24.5 -34.0 -0.1 -37.8 170 191 A F H << S+ 0 0 94 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.913 103.0 53.1 -76.3 -43.5 -36.2 -1.3 -35.1 171 192 A R H < 0 0 56 -4,-0.9 -2,-0.1 232,-0.0 -3,-0.1 0.986 360.0 360.0 -56.0 -72.2 -38.9 1.3 -35.3 172 193 A G < 0 0 103 -4,-1.0 -4,-0.0 0, 0.0 0, 0.0 0.269 360.0 360.0-125.9 360.0 -39.9 1.1 -38.9 173 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 174 210 A L 0 0 137 0, 0.0 -100,-0.1 0, 0.0 -101,-0.0 0.000 360.0 360.0 360.0 130.9 -36.0 -10.6 -37.9 175 211 A P - 0 0 83 0, 0.0 2,-0.2 0, 0.0 -94,-0.0 0.580 360.0 -97.2 10.9-167.1 -33.0 -8.2 -38.6 176 212 A A - 0 0 41 1,-0.1 -6,-0.0 4,-0.1 -7,-0.0 -0.631 10.5 -98.5-136.4-168.0 -32.6 -6.0 -41.7 177 213 A N S S- 0 0 138 -2,-0.2 -1,-0.1 4,-0.0 0, 0.0 0.997 73.3 -23.4 -72.1 -85.2 -31.4 -4.8 -45.2 178 214 A R S >> S+ 0 0 205 3,-0.1 3,-1.2 2,-0.0 4,-1.0 0.861 117.7 23.2-108.7 -78.7 -28.5 -2.3 -45.9 179 215 A R H 3> S+ 0 0 190 1,-0.3 4,-0.8 2,-0.2 5,-0.1 0.613 109.7 72.0 -74.0 -11.4 -26.9 0.3 -43.8 180 216 A F H 3> S+ 0 0 11 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.701 99.5 53.6 -71.7 -16.7 -28.1 -1.4 -40.6 181 217 A N H X> S+ 0 0 85 -3,-1.2 4,-1.6 2,-0.2 3,-1.1 0.979 102.2 50.7 -78.7 -65.5 -25.4 -3.7 -41.8 182 218 A D H 3< S+ 0 0 105 -4,-1.0 4,-0.2 1,-0.3 -2,-0.2 0.626 116.3 48.2 -47.9 -15.3 -22.5 -1.1 -42.1 183 219 A A H 3X S+ 0 0 3 -4,-0.8 4,-1.8 3,-0.1 -1,-0.3 0.765 109.2 49.5 -98.1 -35.9 -23.5 -0.2 -38.5 184 220 A L H S+ 0 0 43 -5,-0.5 4,-2.9 2,-0.2 -1,-0.3 0.861 106.2 53.5 -65.5 -39.9 -18.9 -1.7 -37.1 187 223 A L H X S+ 0 0 21 -4,-1.8 4,-1.7 -3,-0.4 -1,-0.2 0.873 119.8 34.8 -62.3 -37.6 -20.6 -1.9 -33.8 188 224 A H H X S+ 0 0 46 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.833 114.2 56.5 -83.7 -38.2 -18.9 -5.3 -33.3 189 225 A L H X S+ 0 0 84 -4,-4.1 4,-2.0 -5,-0.3 -3,-0.2 0.943 114.2 43.5 -55.7 -46.0 -15.8 -4.3 -35.1 190 226 A L H X S+ 0 0 10 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.905 108.7 53.0 -68.6 -47.6 -15.6 -1.6 -32.6 191 227 A V H X S+ 0 0 13 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.917 113.4 45.8 -57.2 -42.5 -16.4 -3.4 -29.4 192 228 A D H >X S+ 0 0 89 -4,-2.1 4,-2.6 2,-0.2 3,-1.3 0.957 111.0 50.6 -63.1 -55.1 -13.7 -6.0 -30.1 193 229 A E H 3X S+ 0 0 89 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.881 110.7 53.2 -48.3 -41.6 -11.1 -3.4 -31.0 194 230 A I H 3X S+ 0 0 19 -4,-2.5 4,-1.0 2,-0.2 -1,-0.3 0.700 107.6 48.5 -69.8 -24.7 -12.1 -1.8 -27.7 195 231 A I H < S+ 0 0 47 -4,-1.6 3,-2.0 1,-0.2 4,-0.5 0.895 104.4 51.3 -69.9 -44.3 -7.0 -2.0 -26.1 198 234 A R H 3< S+ 0 0 20 -4,-1.0 4,-0.3 1,-0.3 -1,-0.2 0.781 93.1 77.9 -65.0 -22.6 -7.8 -2.1 -22.4 199 235 A R T 3< S+ 0 0 148 -4,-1.1 3,-0.4 1,-0.2 -1,-0.3 0.844 85.9 67.4 -52.7 -29.8 -6.0 -5.3 -22.4 200 236 A A S < S- 0 0 90 -3,-2.0 2,-0.3 -4,-0.3 -2,-0.2 0.984 126.6 -14.7 -57.0 -75.6 -2.9 -3.0 -22.4 201 237 A S S S+ 0 0 83 -4,-0.5 -1,-0.2 1,-0.1 -2,-0.2 -0.627 72.5 154.7-135.7 82.7 -3.0 -1.3 -19.0 202 238 A G + 0 0 20 -3,-0.4 -1,-0.1 -2,-0.3 -3,-0.1 0.015 22.9 141.3 -97.4 28.7 -6.4 -1.8 -17.4 203 239 A Q S S+ 0 0 158 1,-0.2 -1,-0.1 -5,-0.1 -2,-0.0 0.831 74.2 10.1 -30.4-107.4 -5.2 -1.5 -13.8 204 240 A K S S+ 0 0 174 -3,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.602 84.1 136.2 -59.0 -17.2 -7.7 0.5 -11.6 205 241 A P + 0 0 22 0, 0.0 6,-0.1 0, 0.0 5,-0.1 -0.118 25.5 175.9 -41.5 99.5 -10.5 0.4 -14.3 206 242 A D + 0 0 69 -2,-0.1 5,-0.1 4,-0.1 -2,-0.1 0.586 42.8 115.0 -82.4 -14.4 -13.4 -0.5 -12.0 207 243 A D S > S- 0 0 1 1,-0.1 4,-1.6 -59,-0.1 3,-0.2 0.183 88.2 -92.7 -50.4 175.4 -15.7 -0.2 -14.9 208 244 A L H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 -58,-0.1 0.827 119.3 63.4 -63.9 -34.6 -17.6 -3.1 -16.4 209 245 A L H 4 S+ 0 0 4 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135.6 63.6 163.7 -45.6 -27.7 12.1 33.9 501 102 B E S < S- 0 0 23 -4,-6.6 -3,-0.3 -7,-0.2 -2,-0.1 0.915 124.2 -31.3 -68.7 -45.0 -30.0 9.1 34.3 502 103 B G S S+ 0 0 24 -5,-0.2 3,-0.1 -8,-0.2 145,-0.1 0.106 129.1 25.2-135.9-109.1 -28.9 7.4 31.1 503 104 B V S S- 0 0 24 1,-0.1 144,-0.3 144,-0.1 2,-0.2 0.700 93.4-135.8 -33.1 -39.9 -27.6 8.6 27.7 504 105 B A + 0 0 7 -6,-6.3 2,-0.5 -9,-0.1 -4,-0.2 -0.678 66.7 12.4 102.5-157.2 -26.4 11.8 29.4 505 106 B T S S- 0 0 122 -6,-0.3 2,-0.2 -2,-0.2 -6,-0.1 -0.302 118.5 -47.9 -58.9 105.2 -27.0 15.3 27.9 506 107 B A - 0 0 44 -2,-0.5 2,-0.2 -11,-0.5 -2,-0.1 -0.498 52.9-124.7 85.7-141.9 -29.5 14.8 25.0 507 108 B N S S- 0 0 54 -2,-0.2 -21,-0.1 -4,-0.1 -1,-0.0 -0.484 75.4 -21.6 155.0 144.1 -29.7 12.3 22.2 508 109 B G S S+ 0 0 4 -2,-0.2 -22,-0.3 4,-0.1 3,-0.1 0.436 72.8 163.5 -0.0 67.1 -29.9 13.2 18.5 509 110 B P - 0 0 43 0, 0.0 -23,-0.1 0, 0.0 -3,-0.0 0.599 58.4 -62.4 -69.3-120.0 -31.3 16.8 18.8 510 111 B L S S+ 0 0 117 1,-0.1 2,-5.8 2,-0.1 0, 0.0 0.171 115.5 63.6-101.3-131.1 -30.7 18.3 15.4 511 112 B H + 0 0 95 1,-0.2 2,-4.7 2,-0.1 4,-0.2 -0.099 59.6 175.4 46.9 -57.7 -27.3 19.0 13.6 512 113 B R + 0 0 29 -2,-5.8 3,-0.4 1,-0.2 -1,-0.2 -0.337 48.2 107.9 60.9 -67.4 -26.9 15.2 13.7 513 114 B R S >> S+ 0 0 74 -2,-4.7 3,-2.1 1,-0.4 4,-0.5 0.467 71.6 55.2 2.0 -67.3 -23.8 16.0 11.6 514 115 B Q T 34 S+ 0 0 105 1,-0.3 -1,-0.4 2,-0.1 -2,-0.1 0.205 108.9 59.1 -65.5 22.8 -21.6 15.1 14.6 515 116 B R T 34 S+ 0 0 38 -3,-0.4 -1,-0.3 -4,-0.2 4,-0.3 0.233 73.5 78.0-138.4 13.0 -23.6 11.9 14.2 516 117 B R T X4 S+ 0 0 137 -3,-2.1 3,-0.8 1,-0.2 -2,-0.1 0.527 79.4 88.2 -88.4 -13.4 -23.1 10.4 10.8 517 118 B T T 3< S+ 0 0 26 -4,-0.5 4,-0.3 1,-0.3 -1,-0.2 0.876 82.4 53.9 -44.9 -42.4 -20.0 9.5 12.7 518 119 B I T >> S+ 0 0 24 -3,-0.3 3,-1.6 1,-0.2 4,-1.1 0.806 89.6 73.9 -65.5 -38.0 -21.9 6.4 13.7 519 120 B Q H X> S+ 0 0 50 -3,-0.8 4,-1.1 -4,-0.3 3,-0.7 0.847 86.8 62.6 -46.0 -47.3 -22.8 5.2 10.2 520 121 B P H 34 S+ 0 0 46 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.776 107.7 44.6 -51.3 -32.7 -19.3 3.9 9.4 521 122 B A H <4 S+ 0 0 0 -3,-1.6 -2,-0.2 -4,-0.3 107,-0.1 0.741 119.2 40.3 -86.5 -24.9 -19.5 1.4 12.2 522 123 B F H << S+ 0 0 6 -4,-1.1 270,-0.4 -3,-0.7 269,-0.3 0.301 86.4 109.7-110.4 11.0 -23.1 0.2 11.4 523 124 B R S < S- 0 0 106 -4,-1.1 4,-0.5 -5,-0.1 3,-0.3 -0.060 85.7 -96.0 -75.1-177.3 -23.3 -0.0 7.6 524 125 B L S S+ 0 0 99 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.653 121.5 59.6 -73.1 -14.6 -23.5 -3.3 5.6 525 126 B D S S+ 0 0 113 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.776 102.4 45.6 -84.4 -31.3 -19.7 -3.1 5.2 526 127 B A S S+ 0 0 6 -3,-0.3 4,-0.2 1,-0.2 -1,-0.2 0.469 98.7 71.5 -94.6 -3.5 -18.5 -3.1 8.8 527 128 B I S >> S+ 0 0 2 -4,-0.5 3,-1.7 1,-0.2 4,-1.6 0.854 85.9 61.1 -81.2 -38.3 -20.7 -6.0 10.0 528 129 B P T 34 S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.749 102.4 57.9 -61.5 -16.6 -19.0 -8.9 8.1 529 130 B A T 34 S+ 0 0 52 1,-0.2 4,-0.2 -4,-0.2 -2,-0.2 0.629 105.2 46.7 -84.3 -18.1 -15.9 -7.9 10.3 530 131 B Y T X> S+ 0 0 3 -3,-1.7 4,-1.9 -4,-0.2 3,-1.5 0.676 87.4 100.3 -91.5 -23.9 -17.8 -8.4 13.5 531 132 B G H 3X S+ 0 0 0 -4,-1.6 4,-3.3 1,-0.3 5,-0.3 0.735 76.7 51.6 -26.9 -56.8 -19.0 -11.7 12.0 532 133 B P H 3> S+ 0 0 69 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.887 109.9 47.8 -57.4 -44.0 -16.4 -13.9 14.0 533 134 B I H <> S+ 0 0 10 -3,-1.5 4,-2.0 -4,-0.2 -2,-0.2 0.902 115.3 48.3 -64.6 -37.6 -17.3 -12.4 17.3 534 135 B M H >X S+ 0 0 3 -4,-1.9 4,-2.6 2,-0.2 3,-1.2 0.999 112.9 44.1 -60.7 -67.7 -20.9 -12.9 16.4 535 136 B E H 3X S+ 0 0 44 -4,-3.3 4,-1.7 1,-0.3 5,-0.3 0.864 116.1 51.6 -42.7 -44.0 -20.5 -16.5 15.3 536 137 B E H 3< S+ 0 0 104 -4,-2.7 4,-0.4 -5,-0.3 -1,-0.3 0.809 109.0 48.1 -67.0 -34.0 -18.3 -17.0 18.4 537 138 B E H X S+ 0 0 1 -4,-2.6 3,-3.0 2,-0.2 4,-1.1 0.995 111.5 43.0 -59.6 -77.5 -23.7 -17.7 19.4 539 140 B H H 3X S+ 0 0 39 -4,-1.7 4,-0.9 1,-0.3 -1,-0.2 0.742 107.0 69.5 -44.2 -21.3 -22.2 -21.1 19.3 540 141 B A H >> S+ 0 0 36 -4,-0.4 4,-1.4 -5,-0.3 3,-0.6 0.905 96.6 48.6 -64.6 -42.4 -20.9 -20.0 22.7 541 142 B L H - 0 0 98 -2,-0.6 3,-0.7 3,-0.2 -3,-0.1 -0.778 31.5 -83.8-116.4 163.7 -27.3 -27.8 27.9 547 148 B P T 3 S+ 0 0 61 0, 0.0 289,-0.2 0, 0.0 2,-0.2 -0.341 107.8 25.5 -62.3 142.5 -30.2 -30.2 27.7 548 149 B G T 3 S+ 0 0 52 287,-0.9 2,-0.6 1,-0.1 288,-0.1 -0.240 95.8 93.0 104.8 -47.3 -32.3 -30.7 30.9 549 150 B K S < S- 0 0 170 -3,-0.7 -3,-0.2 -2,-0.2 -1,-0.1 -0.748 77.3-124.2 -89.1 116.1 -31.6 -27.4 32.6 550 151 B T - 0 0 44 -2,-0.6 2,-0.4 284,-0.2 284,-0.2 -0.260 26.6-125.2 -56.0 144.0 -34.2 -24.6 32.0 551 152 B V E -R 833 0H 5 282,-3.1 2,-1.4 -6,-0.1 282,-0.9 -0.745 10.5-129.0 -93.7 137.3 -32.6 -21.4 30.6 552 153 B D E > -R 832 0H 72 -2,-0.4 4,-3.6 1,-0.2 5,-0.3 -0.708 24.7-169.8 -88.0 92.4 -33.2 -18.2 32.4 553 154 B A H > S+ 0 0 0 -2,-1.4 4,-2.6 278,-1.2 5,-0.4 0.850 79.5 52.6 -49.0 -45.5 -34.3 -16.1 29.5 554 155 B T H > S+ 0 0 34 277,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.911 120.2 31.2 -60.7 -46.9 -34.2 -12.8 31.3 555 156 B S H > S+ 0 0 61 -3,-0.3 4,-0.7 2,-0.1 -2,-0.2 0.915 124.0 46.6 -78.3 -45.3 -30.7 -13.2 32.7 556 157 B E H X S+ 0 0 40 -4,-3.6 4,-1.5 1,-0.2 -3,-0.2 0.793 112.3 48.5 -68.6 -32.7 -29.3 -15.2 29.7 557 158 B S H X S+ 0 0 1 -4,-2.6 4,-1.4 -5,-0.3 -1,-0.2 0.878 106.7 55.6 -74.1 -42.9 -30.8 -13.0 26.9 558 159 B F H X S+ 0 0 12 -4,-0.9 4,-1.7 -5,-0.4 -1,-0.2 0.716 108.3 52.6 -62.1 -23.6 -29.6 -9.8 28.4 559 160 B R H X S+ 0 0 32 -4,-0.7 4,-2.8 2,-0.2 5,-0.2 0.948 106.1 45.0 -82.6 -51.3 -26.0 -11.3 28.4 560 161 B V H X S+ 0 0 4 -4,-1.5 4,-2.4 1,-0.2 5,-0.3 0.844 113.3 62.3 -58.9 -27.8 -25.5 -12.4 24.8 561 162 B A H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.988 109.1 32.2 -56.8 -70.6 -27.0 -9.1 24.2 562 163 B V H X S+ 0 0 5 -4,-1.7 4,-3.3 1,-0.2 5,-0.4 0.872 117.9 58.5 -56.1 -42.8 -24.3 -6.9 25.9 563 164 B R H X S+ 0 0 33 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.949 109.9 40.7 -55.7 -54.7 -21.6 -9.4 24.9 564 165 B V H X S+ 0 0 1 -4,-2.4 4,-1.3 -5,-0.2 5,-0.3 0.955 120.2 45.4 -60.0 -49.9 -22.3 -9.1 21.2 565 166 B A H X S+ 0 0 8 -4,-2.3 4,-3.0 -5,-0.3 3,-0.4 0.962 118.7 38.5 -60.3 -58.6 -22.8 -5.4 21.3 566 167 B A H X S+ 0 0 6 -4,-3.3 4,-1.0 1,-0.2 -1,-0.2 0.919 117.1 49.1 -61.0 -47.4 -19.8 -4.4 23.4 567 168 B R H < S+ 0 0 36 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.2 0.686 119.4 39.8 -67.1 -21.1 -17.4 -6.9 21.9 568 169 B C H < S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.846 120.4 41.8 -90.2 -48.5 -18.3 -5.8 18.4 569 170 B L H < S+ 0 0 6 -4,-3.0 60,-1.6 -5,-0.3 2,-0.3 0.463 132.1 21.3 -79.2 -1.7 -18.6 -2.1 19.0 570 171 B L S < S- 0 0 8 -4,-1.0 2,-0.3 -5,-0.2 -1,-0.2 -0.917 75.4-162.9-163.4 134.4 -15.4 -2.2 21.2 571 172 B R + 0 0 95 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.866 45.8 33.3-128.2 161.1 -12.6 -4.8 21.3 572 173 B G S S+ 0 0 40 -2,-0.3 2,-0.2 -5,-0.1 -2,-0.0 -0.904 90.8 53.3 113.8-115.7 -9.7 -5.9 23.5 573 174 B Q S S- 0 0 123 -2,-0.6 2,-0.5 41,-0.1 44,-0.0 -0.437 89.8-110.8 -64.0 131.9 -9.9 -5.8 27.3 574 175 B Y - 0 0 107 -2,-0.2 4,-0.1 1,-0.2 -1,-0.1 -0.557 32.1-177.4 -89.6 125.6 -12.9 -7.6 28.4 575 176 B M > + 0 0 12 -2,-0.5 4,-2.3 1,-0.2 5,-0.4 0.342 40.6 153.3 -82.5 -2.9 -15.9 -6.0 30.0 576 177 B D H > - 0 0 78 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.509 68.1 -10.8 4.0-126.8 -17.2 -9.6 30.3 577 178 B E H > S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.655 125.3 73.6 -67.0 -18.0 -19.7 -10.1 33.1 578 179 B R H > S+ 0 0 97 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.959 99.6 40.6 -64.2 -53.3 -19.0 -6.7 34.7 579 180 B A H X S+ 0 0 19 -4,-2.3 4,-2.6 -3,-0.3 5,-0.4 0.965 114.2 57.1 -58.4 -49.9 -20.9 -4.6 32.2 580 181 B E H X S+ 0 0 18 -4,-1.2 4,-2.3 -5,-0.4 -2,-0.2 0.919 106.9 46.1 -40.2 -68.7 -23.6 -7.3 32.1 581 182 B R H X S+ 0 0 189 -4,-2.4 4,-4.2 1,-0.2 5,-0.3 0.809 112.2 50.4 -44.6 -46.7 -24.3 -7.1 35.9 582 183 B L H X S+ 0 0 7 -4,-1.8 4,-0.5 -3,-0.3 -1,-0.2 0.931 114.1 43.4 -62.6 -50.5 -24.4 -3.3 36.0 583 184 B C H X S+ 0 0 26 -4,-2.6 4,-3.4 2,-0.2 -1,-0.2 0.796 116.4 51.5 -64.5 -29.3 -26.8 -3.1 33.1 584 185 B V H X S+ 0 0 49 -4,-2.3 4,-1.7 -5,-0.4 -2,-0.2 0.978 110.0 44.3 -70.5 -59.4 -28.7 -6.0 34.8 585 186 B A H < S+ 0 0 32 -4,-4.2 -1,-0.2 1,-0.2 -2,-0.2 0.611 121.1 50.5 -60.8 -7.0 -28.9 -4.3 38.2 586 187 B L 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