==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (ORGANOPHOSPHATE-DEGRADING) 07-JUL-94 1PTA . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVUNDIMONAS DIMINUTA; . AUTHOR M.BENNING,H.M.HOLDEN . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 0.3 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 . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 4.7 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 5 1 0 1 1 1 0 1 2 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 3 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 . 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 36 A R 0 0 172 0, 0.0 2,-0.4 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 128.8 41.8 76.6 -6.0 2 37 A I E -A 9 0A 4 7,-3.0 7,-2.7 314,-0.1 2,-0.5 -0.889 360.0-124.0-109.3 136.0 40.2 73.6 -4.4 3 38 A N E +A 8 0A 30 -2,-0.4 88,-0.3 5,-0.2 2,-0.2 -0.725 33.4 178.9 -82.6 124.7 40.8 70.1 -5.8 4 39 A T E > -A 7 0A 5 3,-1.3 3,-1.4 -2,-0.5 125,-0.4 -0.646 47.1 -99.4-114.1 172.4 37.6 68.2 -6.6 5 40 A V T 3 S+ 0 0 5 84,-2.9 85,-0.1 1,-0.3 74,-0.1 0.594 128.1 40.9 -69.2 -10.4 37.0 64.8 -8.0 6 41 A R T 3 S- 0 0 135 1,-0.5 -1,-0.3 83,-0.2 84,-0.1 0.274 129.3 -80.2-115.7 5.5 36.5 66.5 -11.4 7 42 A G E < -A 4 0A 23 -3,-1.4 -3,-1.3 122,-0.1 -1,-0.5 -0.630 67.6 -29.2 124.0-178.9 39.3 69.0 -11.0 8 43 A P E -A 3 0A 62 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.434 52.4-176.2 -74.7 140.3 40.1 72.3 -9.4 9 44 A I E -A 2 0A 10 -7,-2.7 -7,-3.0 -2,-0.2 2,-0.2 -0.911 26.1-105.1-133.3 161.2 37.6 74.8 -8.9 10 45 A T >> - 0 0 47 -2,-0.3 3,-1.4 -9,-0.2 4,-0.9 -0.552 30.4-113.3 -87.3 154.2 37.6 78.2 -7.6 11 46 A I H 3> S+ 0 0 70 1,-0.3 4,-0.6 -2,-0.2 3,-0.5 0.810 115.0 55.9 -51.1 -42.6 36.4 79.2 -4.2 12 47 A S H 34 S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.780 100.6 60.6 -69.9 -19.5 33.5 81.2 -5.5 13 48 A E H <4 S+ 0 0 89 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.848 89.2 74.6 -71.5 -33.2 32.3 78.1 -7.4 14 49 A A H < + 0 0 1 -4,-0.9 47,-0.2 -3,-0.5 -1,-0.2 0.854 67.0 163.0 -48.1 -51.3 31.9 76.1 -4.1 15 50 A G < + 0 0 24 -4,-0.6 2,-0.2 -3,-0.2 -1,-0.1 -0.231 56.0 10.5 62.8-155.1 28.8 77.7 -2.9 16 51 A F S S- 0 0 34 43,-0.4 45,-2.9 295,-0.1 46,-1.9 -0.392 80.9-164.9 -60.1 119.3 26.8 76.0 -0.2 17 52 A T E -b 62 0B 7 290,-2.8 2,-0.4 -2,-0.2 46,-0.2 -0.950 18.9-154.6-121.5 130.4 28.9 73.1 1.1 18 53 A L E -b 63 0B 5 44,-2.1 46,-2.7 -2,-0.4 2,-0.3 -0.820 24.1-156.3 -97.9 134.3 28.0 70.1 3.2 19 54 A T E + 0 0 9 236,-0.5 238,-0.4 -2,-0.4 46,-0.1 -0.738 57.9 22.8-113.6 161.3 31.0 68.7 5.1 20 55 A H E S+ 0 0 9 -2,-0.3 2,-0.2 1,-0.2 238,-0.2 0.875 78.6 150.1 55.7 48.3 32.0 65.4 6.6 21 56 A E E -b 65 0B 7 43,-2.8 45,-2.5 -3,-0.2 2,-0.5 -0.652 42.4-146.9-104.0 165.9 29.8 63.2 4.5 22 57 A H + 0 0 20 -2,-0.2 4,-0.1 43,-0.2 43,-0.1 -0.923 17.5 179.6-131.3 96.0 30.3 59.6 3.3 23 58 A I - 0 0 18 -2,-0.5 2,-0.2 2,-0.1 -1,-0.1 0.924 65.0 -18.1 -69.2 -43.5 28.7 59.4 -0.1 24 59 A C S S+ 0 0 18 1,-0.1 49,-0.0 2,-0.0 43,-0.0 -0.634 92.8 85.2-141.4-159.5 29.5 55.8 -0.7 25 60 A G > + 0 0 16 -2,-0.2 3,-2.4 1,-0.1 4,-0.1 0.472 41.4 138.9 76.7 4.6 31.8 53.0 0.5 26 61 A S T 3 S+ 0 0 13 1,-0.3 -1,-0.1 2,-0.1 47,-0.1 0.740 71.1 61.0 -52.6 -23.9 29.7 51.8 3.5 27 62 A S T > S- 0 0 18 45,-0.1 3,-1.3 11,-0.1 -1,-0.3 0.674 102.8-133.2 -78.5 -13.1 30.6 48.1 2.5 28 63 A A T < S- 0 0 48 -3,-2.4 44,-0.3 43,-0.4 -2,-0.1 0.910 75.3 -46.0 59.2 45.5 34.3 48.9 3.0 29 64 A G T >> S+ 0 0 26 43,-0.2 3,-1.6 42,-0.2 4,-0.6 0.298 114.4 116.6 84.1 -12.7 35.0 47.2 -0.3 30 65 A F H <> + 0 0 127 -3,-1.3 4,-1.9 1,-0.3 8,-0.2 0.655 58.7 76.0 -65.3 -12.0 32.8 44.2 0.3 31 66 A L H 34 S+ 0 0 29 1,-0.2 -1,-0.3 2,-0.2 10,-0.1 0.765 92.3 54.4 -70.3 -19.2 30.5 45.1 -2.5 32 67 A R H <4 S+ 0 0 213 -3,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.842 114.7 40.1 -75.7 -34.7 33.1 43.8 -4.9 33 68 A A H < S+ 0 0 75 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.709 133.1 20.2 -85.8 -22.5 33.1 40.5 -3.1 34 69 A W >X + 0 0 127 -4,-1.9 4,-2.7 5,-0.1 3,-1.2 -0.426 61.3 155.3-151.5 67.2 29.4 40.3 -2.5 35 70 A P H 3> S+ 0 0 52 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.788 72.8 69.1 -63.7 -29.5 27.4 42.4 -4.9 36 71 A E H 34 S+ 0 0 152 2,-0.2 4,-0.1 1,-0.2 -5,-0.1 0.769 114.4 25.6 -61.4 -28.2 24.4 40.1 -4.5 37 72 A F H <4 S+ 0 0 127 -3,-1.2 -1,-0.2 2,-0.2 3,-0.1 0.834 131.3 37.4 -99.1 -51.2 24.1 41.3 -0.9 38 73 A F H < S- 0 0 58 -4,-2.7 -2,-0.2 -8,-0.2 -7,-0.1 0.720 110.9-115.0 -73.7 -26.3 25.6 44.8 -1.0 39 74 A G < - 0 0 23 -4,-2.3 -1,-0.2 -5,-0.3 2,-0.2 -0.222 34.3 -64.5 106.4 161.0 24.4 45.7 -4.4 40 75 A S > - 0 0 54 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.542 42.7-113.8 -82.5 150.9 26.1 46.5 -7.7 41 76 A R H > S+ 0 0 80 1,-0.2 4,-1.8 -2,-0.2 5,-0.1 0.806 117.9 50.8 -48.8 -32.3 28.4 49.5 -8.2 42 77 A K H > S+ 0 0 139 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 106.3 49.4 -78.6 -43.5 25.7 50.8 -10.6 43 78 A A H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.881 112.7 51.1 -62.9 -32.3 22.8 50.5 -8.4 44 79 A L H X S+ 0 0 36 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.920 108.7 49.4 -67.4 -43.9 24.8 52.3 -5.7 45 80 A A H X S+ 0 0 13 -4,-1.8 4,-2.7 -5,-0.2 5,-0.2 0.887 110.7 52.7 -62.5 -38.4 25.8 55.1 -8.0 46 81 A E H X S+ 0 0 108 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.939 107.4 49.6 -62.8 -46.6 22.1 55.4 -8.8 47 82 A K H X S+ 0 0 110 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.930 113.5 48.4 -56.0 -43.7 21.1 55.6 -5.2 48 83 A A H X S+ 0 0 11 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.916 108.6 50.4 -63.4 -50.3 23.7 58.3 -4.7 49 84 A V H X S+ 0 0 15 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.922 107.6 54.6 -57.3 -44.5 22.8 60.5 -7.7 50 85 A R H X S+ 0 0 177 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.928 112.0 44.8 -54.8 -46.5 19.2 60.5 -6.6 51 86 A G H X S+ 0 0 26 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.924 112.2 50.7 -64.1 -44.8 20.3 61.8 -3.2 52 87 A L H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.925 107.6 53.8 -61.2 -45.0 22.6 64.4 -4.6 53 88 A R H X S+ 0 0 140 -4,-3.1 4,-2.5 -5,-0.2 -1,-0.2 0.913 107.5 49.8 -59.5 -40.3 20.1 65.7 -6.9 54 89 A R H X S+ 0 0 120 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.938 112.5 48.0 -62.7 -42.5 17.6 66.2 -4.1 55 90 A A H X>S+ 0 0 1 -4,-2.1 5,-2.3 1,-0.2 4,-0.6 0.919 111.2 51.1 -61.8 -43.7 20.3 68.0 -2.1 56 91 A R H ><5S+ 0 0 73 -4,-3.2 3,-1.8 1,-0.2 -1,-0.2 0.925 105.1 53.7 -62.3 -43.6 21.2 70.1 -5.0 57 92 A A H 3<5S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.896 106.2 56.4 -56.8 -36.8 17.6 71.1 -5.6 58 93 A A H 3<5S- 0 0 38 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.657 133.4 -92.0 -69.2 -14.9 17.7 72.2 -1.9 59 94 A G T <<5S+ 0 0 21 -3,-1.8 -43,-0.4 -4,-0.6 -3,-0.2 0.360 78.0 140.2 121.0 -6.2 20.7 74.5 -2.7 60 95 A V < + 0 0 0 -5,-2.3 -1,-0.3 1,-0.1 -43,-0.2 -0.495 16.7 168.9 -72.2 141.7 23.7 72.4 -2.0 61 96 A R + 0 0 93 -45,-2.9 27,-2.4 1,-0.4 2,-0.4 0.598 60.2 29.6-123.8 -22.8 26.5 72.8 -4.5 62 97 A T E -bc 17 88B 1 -46,-1.9 -44,-2.1 25,-0.2 2,-0.4 -0.995 57.7-161.8-142.2 147.7 29.5 71.0 -3.0 63 98 A I E -bc 18 89B 1 25,-2.6 27,-2.4 -2,-0.4 2,-0.7 -0.997 11.5-146.4-133.4 135.1 30.1 68.1 -0.8 64 99 A V E - c 0 90B 2 -46,-2.7 -43,-2.8 -2,-0.4 2,-0.4 -0.894 16.1-162.9-102.8 109.3 33.2 67.1 1.3 65 100 A D E -b 21 0B 2 25,-2.3 -43,-0.2 -2,-0.7 27,-0.1 -0.774 5.8-168.5 -88.8 127.0 33.5 63.3 1.5 66 101 A V + 0 0 2 -45,-2.5 2,-0.2 -2,-0.4 -44,-0.1 0.106 37.1 132.5-107.2 21.3 35.8 62.2 4.3 67 102 A S - 0 0 3 -46,-0.3 25,-0.6 5,-0.1 2,-0.2 -0.515 40.2-155.8 -73.3 137.3 36.2 58.5 3.4 68 103 A T > > - 0 0 0 -2,-0.2 5,-1.9 23,-0.1 3,-1.7 -0.628 31.6 -98.3-107.6 167.0 39.7 57.3 3.5 69 104 A F G > 5S+ 0 0 114 25,-0.4 3,-1.1 1,-0.3 26,-0.1 0.826 118.6 60.1 -55.0 -38.5 41.3 54.3 1.7 70 105 A D G 3 5S+ 0 0 43 24,-0.3 -1,-0.3 1,-0.2 25,-0.1 0.549 106.2 45.6 -70.9 -10.1 41.0 52.1 4.7 71 106 A I G < 5S- 0 0 17 -3,-1.7 -43,-0.4 -42,-0.0 -1,-0.2 0.226 130.0 -79.7-118.2 16.7 37.2 52.4 5.0 72 107 A G T < 5 + 0 0 19 -3,-1.1 -43,-0.2 -44,-0.3 -3,-0.2 0.624 60.6 175.5 102.9 13.2 36.3 51.9 1.3 73 108 A R < - 0 0 11 -5,-1.9 2,-0.4 1,-0.1 -1,-0.2 -0.250 6.2-173.8 -54.1 132.6 36.8 55.2 -0.3 74 109 A D > - 0 0 51 1,-0.1 4,-2.0 2,-0.0 3,-0.3 -0.790 7.8-178.8-131.5 89.7 36.2 54.9 -4.2 75 110 A V H > S+ 0 0 0 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.795 80.0 57.8 -62.7 -27.9 37.1 58.1 -6.0 76 111 A S H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 106.6 48.0 -71.8 -36.6 36.1 56.9 -9.4 77 112 A L H > S+ 0 0 7 -3,-0.3 4,-2.6 1,-0.2 5,-0.3 0.948 112.4 51.9 -64.6 -42.1 32.6 56.2 -8.2 78 113 A L H X S+ 0 0 5 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.900 108.0 50.1 -60.5 -40.6 32.7 59.7 -6.7 79 114 A A H X S+ 0 0 23 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.906 111.9 48.5 -64.0 -40.4 33.8 61.3 -9.9 80 115 A E H X S+ 0 0 99 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.928 113.1 46.0 -63.4 -50.0 31.0 59.5 -11.8 81 116 A V H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 6,-0.2 0.876 110.0 56.0 -63.9 -36.7 28.3 60.5 -9.3 82 117 A S H X>S+ 0 0 1 -4,-2.3 5,-1.2 -5,-0.3 4,-1.1 0.908 110.2 44.0 -61.6 -41.5 29.6 64.1 -9.3 83 118 A R H <5S+ 0 0 185 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.910 114.2 49.1 -69.9 -44.2 29.2 64.4 -13.1 84 119 A A H <5S+ 0 0 48 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.801 120.4 35.1 -68.3 -31.9 25.9 62.9 -13.2 85 120 A A H <5S- 0 0 4 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.464 99.9-130.2 -98.3 -9.4 24.4 65.0 -10.4 86 121 A D T <5 + 0 0 87 -4,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.901 64.2 128.8 56.9 47.4 26.3 68.2 -11.2 87 122 A V < - 0 0 1 -5,-1.2 -25,-0.2 -6,-0.2 -1,-0.2 -0.999 60.9-117.1-131.2 130.3 27.5 68.6 -7.6 88 123 A H E -c 62 0B 41 -27,-2.4 -25,-2.6 -2,-0.4 2,-0.4 -0.461 28.1-161.8 -71.7 142.0 31.1 69.2 -6.7 89 124 A I E -c 63 0B 0 -27,-0.2 -84,-2.9 -2,-0.2 2,-0.5 -0.985 7.7-160.7-129.0 125.4 32.8 66.6 -4.6 90 125 A V E -c 64 0B 0 -27,-2.4 -25,-2.3 -2,-0.4 2,-0.2 -0.880 17.0-152.4-100.3 130.7 36.0 67.0 -2.6 91 126 A A - 0 0 0 -2,-0.5 40,-2.9 38,-0.4 41,-0.7 -0.655 8.7-129.4-103.0 162.0 37.7 63.7 -1.6 92 127 A A E -d 132 0C 0 -25,-0.6 2,-0.2 -2,-0.2 41,-0.2 -0.759 12.4-161.6-113.5 159.1 40.0 63.0 1.4 93 128 A T E +d 133 0C 0 39,-2.3 41,-3.3 -2,-0.3 2,-0.3 -0.632 51.7 83.6-117.4 174.6 43.3 61.5 2.2 94 129 A G E S-d 134 0C 1 39,-0.2 -25,-0.4 -2,-0.2 2,-0.3 -0.791 70.3 -87.1 122.6-167.7 44.1 60.4 5.8 95 130 A L E -d 135 0C 7 39,-1.6 41,-1.8 -2,-0.3 2,-0.1 -0.969 23.7-129.6-143.4 157.1 43.3 57.3 7.8 96 131 A W - 0 0 11 -2,-0.3 2,-0.1 1,-0.2 42,-0.1 -0.354 47.8 -73.8 -95.6-180.0 40.6 56.0 10.0 97 132 A F S S+ 0 0 52 1,-0.2 -1,-0.2 -2,-0.1 40,-0.1 -0.422 115.1 19.8 -75.0 153.8 41.0 54.6 13.4 98 133 A D S S- 0 0 113 38,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.927 84.8-172.9 58.7 47.1 42.5 51.2 13.7 99 134 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.189 35.0 -76.3 -67.5 163.7 44.2 51.2 10.3 100 135 A P >> - 0 0 68 0, 0.0 4,-3.3 0, 0.0 3,-1.5 -0.217 40.5-110.4 -61.3 155.6 45.8 48.0 9.0 101 136 A L H 3> S+ 0 0 102 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.789 115.5 71.2 -52.0 -36.2 49.2 47.0 10.3 102 137 A S H 34 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.2 0, 0.0 0.884 117.0 21.8 -50.8 -40.4 50.6 47.9 6.9 103 138 A M H X4 S+ 0 0 36 -3,-1.5 3,-1.5 2,-0.1 -2,-0.2 0.719 117.1 65.9 -96.7 -31.8 50.0 51.6 7.8 104 139 A R H 3< S+ 0 0 85 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.768 102.3 49.9 -63.6 -25.3 49.9 51.1 11.5 105 140 A L T 3< S+ 0 0 117 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.1 0.378 89.8 108.7 -93.8 1.5 53.6 50.1 11.3 106 141 A R < - 0 0 93 -3,-1.5 2,-0.1 -5,-0.1 -3,-0.1 -0.344 66.3-120.9 -77.6 154.3 54.7 53.2 9.2 107 142 A S > - 0 0 38 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.460 29.3-101.4 -91.1 174.1 56.8 56.2 10.6 108 143 A V H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.905 125.1 51.8 -55.2 -43.0 55.8 59.9 10.7 109 144 A E H > S+ 0 0 118 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.905 111.7 43.7 -60.8 -47.8 58.0 60.4 7.7 110 145 A E H > S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.900 112.8 52.7 -66.8 -42.0 56.4 57.6 5.6 111 146 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.905 105.4 54.1 -60.4 -42.1 53.0 58.6 6.6 112 147 A T H X S+ 0 0 11 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.904 108.5 51.4 -58.7 -40.7 53.6 62.2 5.5 113 148 A Q H X S+ 0 0 124 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.866 106.9 51.5 -67.0 -37.1 54.7 60.9 2.1 114 149 A F H X S+ 0 0 54 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.960 111.6 46.6 -66.8 -46.0 51.6 58.8 1.6 115 150 A F H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.935 111.8 52.1 -60.8 -42.0 49.3 61.7 2.4 116 151 A L H X>S+ 0 0 30 -4,-2.5 4,-3.3 1,-0.2 5,-0.7 0.870 106.4 55.6 -58.9 -36.0 51.4 63.9 0.0 117 152 A R H X>S+ 0 0 102 -4,-1.9 5,-2.9 1,-0.2 4,-1.9 0.946 105.8 49.0 -60.9 -48.3 51.0 61.3 -2.7 118 153 A E H <5S+ 0 0 6 -4,-1.9 12,-2.5 3,-0.2 -1,-0.2 0.753 120.2 37.9 -65.8 -25.9 47.2 61.4 -2.5 119 154 A I H <5S+ 0 0 0 -4,-1.2 -2,-0.2 10,-0.2 -1,-0.2 0.872 127.2 29.6 -90.9 -48.6 47.2 65.2 -2.7 120 155 A Q H <5S+ 0 0 106 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.820 133.6 25.1 -85.2 -36.5 50.0 66.0 -5.1 121 156 A Y T < >S-I 128 0D 0 5,-3.2 3,-2.5 -2,-0.2 5,-0.6 -0.733 91.6 -43.3 -90.7 131.2 44.6 58.7 -5.6 124 159 A E T 3 5S- 0 0 86 -2,-0.4 3,-0.3 1,-0.3 0, 0.0 -0.203 115.1 -38.5 50.9-129.1 45.5 55.2 -6.8 125 160 A D T 3 5S+ 0 0 148 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.208 117.3 100.1-108.6 16.6 45.9 55.4 -10.6 126 161 A T T < 5S- 0 0 44 -3,-2.5 -2,-0.2 2,-0.2 -1,-0.1 0.675 80.1-135.2 -75.3 -22.6 43.0 57.8 -11.0 127 162 A G T 5 + 0 0 58 -4,-0.4 2,-0.3 1,-0.3 -3,-0.1 0.508 64.1 134.7 75.8 -1.4 44.9 61.0 -11.4 128 163 A I B < -I 123 0D 25 -5,-0.6 -5,-3.2 -121,-0.0 2,-0.4 -0.669 45.2-146.7 -83.8 132.7 42.1 62.3 -8.9 129 164 A R - 0 0 88 -125,-0.4 -38,-0.4 -2,-0.3 -10,-0.2 -0.846 9.3-116.8-110.1 145.5 43.6 64.4 -6.0 130 165 A A - 0 0 0 -12,-2.5 -38,-0.2 -2,-0.4 -127,-0.1 -0.360 16.3-169.0 -72.8 148.2 42.6 64.8 -2.4 131 166 A G + 0 0 5 -40,-2.9 2,-0.3 1,-0.2 -39,-0.2 0.270 69.5 32.8-119.4 5.6 41.4 68.2 -1.1 132 167 A I E -d 92 0C 2 -41,-0.7 -39,-2.3 29,-0.1 2,-0.6 -0.983 68.2-129.5-158.9 152.6 41.4 67.5 2.7 133 168 A I E -de 93 163C 0 29,-2.7 31,-2.9 -2,-0.3 2,-0.5 -0.944 24.7-159.6-109.6 119.2 43.2 65.4 5.3 134 169 A K E -de 94 164C 2 -41,-3.3 -39,-1.6 -2,-0.6 2,-0.5 -0.854 10.9-176.5-105.5 129.4 41.1 63.3 7.6 135 170 A V E -de 95 165C 3 29,-2.5 31,-2.3 -2,-0.5 2,-0.4 -0.881 4.0-171.8-126.1 99.9 42.2 61.9 10.9 136 171 A A - 0 0 6 -41,-1.8 2,-0.4 -2,-0.5 -38,-0.1 -0.746 9.9-176.8 -89.6 133.7 39.7 59.6 12.8 137 172 A T - 0 0 10 -2,-0.4 2,-0.2 -40,-0.1 -40,-0.1 -0.989 9.3-153.5-137.2 129.0 40.8 58.7 16.3 138 173 A T - 0 0 72 -2,-0.4 30,-0.2 2,-0.1 -40,-0.1 -0.651 39.9 -60.5-109.4 150.9 39.1 56.4 18.8 139 174 A G S S+ 0 0 19 -2,-0.2 30,-1.0 29,-0.2 31,-0.7 0.561 101.8 47.1 18.8-120.6 39.1 56.3 22.5 140 175 A K S S- 0 0 187 29,-0.2 2,-0.2 28,-0.1 -2,-0.1 -0.267 88.1-109.0 -54.3 131.5 42.2 55.8 24.5 141 176 A A - 0 0 34 -4,-0.1 -1,-0.1 3,-0.1 -2,-0.1 -0.405 41.0-174.1 -64.1 123.0 45.1 58.0 23.4 142 177 A T > - 0 0 71 -2,-0.2 4,-1.0 -3,-0.1 -1,-0.0 -0.659 38.9-119.1-114.1 167.3 47.9 56.1 21.6 143 178 A P H > S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.838 115.5 62.9 -74.5 -32.6 51.4 57.0 20.4 144 179 A F H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.887 97.6 55.9 -57.7 -40.3 50.1 56.0 17.0 145 180 A Q H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.909 105.4 52.4 -56.3 -43.8 47.5 58.8 17.2 146 181 A E H X S+ 0 0 85 -4,-1.0 4,-2.7 1,-0.2 -1,-0.2 0.922 109.2 49.2 -59.1 -49.1 50.3 61.3 17.8 147 182 A L H X S+ 0 0 43 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.900 110.5 47.9 -58.1 -49.3 52.2 60.1 14.7 148 183 A V H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.926 111.7 52.1 -61.4 -43.1 49.3 60.3 12.5 149 184 A L H X S+ 0 0 5 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.898 111.2 46.7 -61.0 -39.3 48.5 63.7 13.8 150 185 A K H X S+ 0 0 55 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.928 110.2 51.5 -69.0 -43.0 52.0 64.9 13.1 151 186 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.897 111.4 49.8 -61.5 -37.6 52.2 63.5 9.6 152 187 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.940 107.2 53.2 -66.1 -43.9 48.9 65.2 8.9 153 188 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.895 112.5 46.3 -56.1 -42.2 50.3 68.6 10.2 154 189 A R H X S+ 0 0 81 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.890 109.6 51.5 -68.1 -41.0 53.3 68.2 7.9 155 190 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 6,-0.4 0.918 113.7 46.8 -62.5 -40.0 51.3 67.3 4.8 156 191 A S H X S+ 0 0 1 -4,-2.3 4,-4.2 2,-0.2 -2,-0.2 0.899 110.4 51.3 -67.0 -43.7 49.2 70.4 5.5 157 192 A L H < S+ 0 0 75 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.907 113.3 45.9 -62.0 -39.5 52.2 72.6 6.1 158 193 A A H < S+ 0 0 66 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.920 129.7 21.3 -69.8 -42.3 53.7 71.5 2.8 159 194 A T H < S- 0 0 21 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.702 89.8-126.4-102.9 -23.6 50.5 71.9 0.8 160 195 A G < + 0 0 1 -4,-4.2 158,-1.4 1,-0.3 -4,-0.1 0.424 61.3 140.0 87.4 1.3 48.2 74.2 2.5 161 196 A V - 0 0 9 -6,-0.4 -1,-0.3 156,-0.2 -29,-0.1 -0.513 54.4-106.6 -78.2 145.6 45.3 71.6 2.4 162 197 A P - 0 0 0 0, 0.0 -29,-2.7 0, 0.0 2,-0.4 -0.298 20.9-137.9 -78.9 161.6 43.2 71.5 5.6 163 198 A V E -ef 133 191C 0 27,-2.5 29,-2.7 -31,-0.2 2,-0.5 -0.952 14.1-170.8-116.5 130.9 43.1 68.9 8.4 164 199 A T E -ef 134 192C 0 -31,-2.9 -29,-2.5 -2,-0.4 2,-0.3 -0.989 13.3-169.9-126.7 128.0 40.0 67.6 10.0 165 200 A T E -ef 135 193C 0 27,-3.3 29,-2.0 -2,-0.5 2,-0.5 -0.833 24.7-136.9-121.4 163.7 40.1 65.4 13.1 166 201 A H E - f 0 194C 10 -31,-2.3 2,-0.3 -2,-0.3 29,-0.2 -0.962 30.7-131.3-110.8 126.5 38.0 63.3 15.4 167 202 A T - 0 0 20 27,-2.0 -28,-0.1 -2,-0.5 29,-0.1 -0.620 23.6-130.0 -80.9 139.2 38.7 63.8 19.1 168 203 A A - 0 0 17 -2,-0.3 -29,-0.2 -30,-0.2 5,-0.2 0.326 33.2 -82.9 -71.1-164.2 39.2 60.6 21.2 169 204 A A S S+ 0 0 80 -30,-1.0 -29,-0.2 4,-0.1 -30,-0.1 0.730 95.2 104.0 -79.5 -23.7 37.7 59.4 24.5 170 205 A S S > S- 0 0 48 -31,-0.7 3,-0.7 1,-0.1 2,-0.5 0.215 83.2 -96.2 -50.8 169.0 40.2 61.5 26.6 171 206 A Q T 3 S- 0 0 178 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.847 104.9 -4.6 -96.2 136.1 39.1 64.7 28.2 172 207 A R T >> S+ 0 0 124 -2,-0.5 3,-1.9 1,-0.1 4,-1.1 0.873 84.2 164.3 50.5 36.8 39.7 67.9 26.4 173 208 A D H <> + 0 0 8 -3,-0.7 4,-1.5 1,-0.3 -1,-0.1 0.763 67.4 66.6 -55.5 -29.1 41.5 65.5 24.0 174 209 A G H 3> S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.801 92.5 57.5 -65.8 -31.6 41.3 68.4 21.6 175 210 A E H <> S+ 0 0 74 -3,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.910 106.5 50.4 -67.3 -37.6 43.7 70.4 23.7 176 211 A Q H X S+ 0 0 106 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.844 111.0 47.8 -66.2 -33.6 46.1 67.6 23.3 177 212 A Q H X S+ 0 0 2 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.914 109.0 54.1 -70.3 -43.1 45.6 67.7 19.5 178 213 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.886 104.2 56.0 -55.2 -42.1 46.1 71.4 19.4 179 214 A A H X S+ 0 0 51 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.946 107.0 49.5 -59.9 -45.4 49.3 71.0 21.2 180 215 A I H X S+ 0 0 24 -4,-1.4 4,-0.7 1,-0.2 -2,-0.2 0.924 113.5 45.1 -61.8 -43.4 50.5 68.7 18.5 181 216 A F H >X>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 3,-1.1 0.947 112.7 50.6 -66.9 -41.8 49.6 71.0 15.7 182 217 A E H ><5S+ 0 0 79 -4,-3.3 3,-1.4 1,-0.3 -1,-0.2 0.908 106.8 52.9 -62.8 -42.0 51.0 73.9 17.3 183 218 A S H 3<5S+ 0 0 91 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.615 106.6 55.5 -68.9 -9.5 54.3 72.2 18.0 184 219 A E H <<5S- 0 0 43 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.565 117.1-115.3 -96.4 -6.6 54.4 71.3 14.3 185 220 A G T <<5 + 0 0 59 -3,-1.4 2,-0.4 -4,-0.6 -3,-0.2 0.579 62.9 151.7 85.6 12.3 54.0 75.1 13.4 186 221 A L < - 0 0 8 -5,-1.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.590 50.3-117.9 -79.3 129.4 50.6 74.5 11.7 187 222 A S > - 0 0 59 -2,-0.4 3,-1.9 1,-0.1 4,-0.1 -0.464 18.6-132.0 -63.9 133.7 48.3 77.5 11.8 188 223 A P G > S+ 0 0 29 0, 0.0 3,-1.9 0, 0.0 26,-0.6 0.749 103.5 69.9 -60.9 -27.9 45.1 76.6 13.8 189 224 A S G 3 S+ 0 0 52 1,-0.3 24,-0.1 24,-0.2 23,-0.1 0.595 92.0 61.4 -66.0 -9.0 42.9 78.0 11.1 190 225 A R G < S+ 0 0 10 -3,-1.9 -27,-2.5 -28,-0.1 2,-0.4 0.428 98.4 78.1 -92.3 -6.7 44.1 75.0 9.0 191 226 A V E < -f 163 0C 0 -3,-1.9 23,-3.0 -29,-0.2 2,-0.5 -0.933 55.5-167.5-120.0 133.8 42.5 72.6 11.5 192 227 A C E -fg 164 214C 0 -29,-2.7 -27,-3.3 -2,-0.4 2,-0.7 -0.967 13.6-156.4-112.5 115.4 39.0 71.4 12.4 193 228 A I E -fg 165 215C 0 21,-2.5 23,-3.2 -2,-0.5 2,-0.3 -0.873 21.4-146.6 -93.1 110.7 38.8 69.6 15.8 194 229 A G E -fg 166 216C 0 -29,-2.0 -27,-2.0 -2,-0.7 2,-0.3 -0.655 14.5-165.1 -94.0 149.1 35.7 67.3 15.5 195 230 A H E - g 0 217C 0 21,-2.0 24,-1.3 -2,-0.3 23,-0.9 -0.926 18.0-148.0-129.0 145.6 33.3 66.3 18.2 196 231 A S S S+ 0 0 39 -2,-0.3 2,-0.2 22,-0.2 21,-0.1 0.611 74.2 0.2 -89.3 -16.7 30.7 63.6 18.4 197 232 A D S S- 0 0 51 23,-0.1 3,-0.3 40,-0.0 21,-0.1 -0.829 72.4 -93.3-152.8-167.5 28.1 65.3 20.6 198 233 A D S S+ 0 0 24 -2,-0.2 19,-0.0 1,-0.2 -3,-0.0 0.178 89.6 97.6-103.3 11.2 26.9 68.2 22.6 199 234 A T + 0 0 64 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.644 55.5 107.3 -78.2 -17.2 28.3 67.0 26.0 200 235 A D S S- 0 0 54 -3,-0.3 2,-0.3 1,-0.1 -29,-0.0 -0.246 81.1 -97.3 -66.1 150.2 31.6 69.0 25.9 201 236 A D > - 0 0 98 1,-0.2 4,-2.6 2,-0.0 3,-0.5 -0.441 23.4-140.9 -65.5 125.8 32.1 71.9 28.2 202 237 A L H > S+ 0 0 60 -2,-0.3 4,-3.0 1,-0.3 5,-0.3 0.840 103.7 59.1 -57.8 -33.4 31.4 75.1 26.4 203 238 A S H > S+ 0 0 59 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.887 106.8 48.5 -63.4 -38.2 34.3 76.7 28.2 204 239 A Y H > S+ 0 0 6 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.944 112.8 46.6 -67.2 -49.0 36.5 74.0 26.6 205 240 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.936 112.4 48.8 -59.3 -49.2 35.0 74.6 23.1 206 241 A T H X S+ 0 0 23 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.861 107.2 56.0 -62.8 -34.3 35.3 78.4 23.2 207 242 A A H X S+ 0 0 42 -4,-1.5 4,-1.2 -5,-0.3 -1,-0.2 0.914 108.1 47.3 -66.3 -38.9 38.8 78.3 24.4 208 243 A L H ><>S+ 0 0 0 -4,-1.7 5,-1.4 2,-0.2 3,-0.6 0.947 113.3 48.2 -66.4 -45.5 39.8 76.2 21.5 209 244 A A H ><5S+ 0 0 4 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.894 105.0 60.4 -61.5 -37.3 37.9 78.5 19.1 210 245 A A H 3<5S+ 0 0 66 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.836 100.2 56.9 -60.0 -30.6 39.6 81.5 20.8 211 246 A R T <<5S- 0 0 100 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.549 126.3 -98.3 -78.2 -5.6 42.9 80.0 19.7 212 247 A G T < 5S+ 0 0 24 -3,-2.0 -3,-0.2 -4,-0.3 -21,-0.2 0.346 77.5 135.6 109.9 -11.1 41.9 80.0 16.0 213 248 A Y < - 0 0 0 -5,-1.4 2,-0.3 1,-0.1 -1,-0.3 -0.338 56.4-118.0 -71.9 153.5 40.8 76.3 15.6 214 249 A L E -g 192 0C 6 -23,-3.0 -21,-2.5 -26,-0.6 2,-0.6 -0.713 24.3-138.8 -90.6 140.6 37.8 75.4 13.8 215 250 A I E -gh 193 253C 1 37,-3.0 39,-2.0 -2,-0.3 2,-0.6 -0.896 15.7-157.5 -99.1 115.5 35.3 73.6 15.9 216 251 A G E -gh 194 254C 0 -23,-3.2 -21,-2.0 -2,-0.6 2,-0.8 -0.860 22.2-178.1-105.5 132.8 33.6 70.6 14.2 217 252 A L E +gh 195 255C 0 37,-2.7 39,-2.0 -2,-0.6 43,-0.2 -0.886 53.2 127.3-114.9 77.3 30.2 69.3 15.4 218 253 A D + 0 0 1 -23,-0.9 2,-0.3 -2,-0.8 40,-0.2 0.466 40.8 38.0-129.4 -2.3 30.8 66.9 12.8 219 254 A H - 0 0 16 -24,-1.3 -1,-0.1 -3,-0.1 45,-0.1 -0.995 40.6-144.5-158.1 167.2 30.6 63.2 13.3 220 255 A I - 0 0 31 -2,-0.3 39,-0.1 43,-0.1 -23,-0.1 -1.000 43.8-115.9-128.3 117.6 29.1 60.1 14.8 221 256 A P - 0 0 54 0, 0.0 2,-0.5 0, 0.0 43,-0.2 -0.314 28.7-109.7 -59.2 137.4 31.7 57.4 15.6 222 257 A H + 0 0 36 45,-0.0 2,-0.3 44,-0.0 0, 0.0 -0.608 60.0 148.2 -71.1 115.4 31.4 54.1 13.6 223 258 A S - 0 0 57 -2,-0.5 41,-0.1 1,-0.1 -3,-0.0 -0.979 57.6-130.7-149.4 159.1 30.2 51.5 16.2 224 259 A A 0 0 99 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.890 360.0 360.0 -72.9 -44.9 28.2 48.3 16.6 225 260 A I 0 0 192 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.592 360.0 360.0 -15.5 360.0 26.3 49.8 19.7 226 ! 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 0.0 227 270 A A 0 0 125 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -24.6 22.0 55.9 26.9 228 271 A L + 0 0 172 1,-0.2 3,-0.1 2,-0.1 0, 0.0 0.852 360.0 49.5 -75.1 -46.3 23.1 57.2 30.2 229 272 A L S S- 0 0 107 1,-0.4 -1,-0.2 3,-0.0 2,-0.0 0.337 112.0-133.7 -76.0 -0.6 22.7 60.7 28.8 230 273 A G - 0 0 34 1,-0.1 2,-0.5 2,-0.0 -1,-0.4 -0.388 43.6 -55.0 70.8-157.3 19.3 59.6 27.7 231 274 A I - 0 0 160 -4,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.881 52.6-154.8-128.4 105.8 18.6 60.6 24.1 232 275 A R - 0 0 101 -2,-0.5 2,-0.1 1,-0.1 -2,-0.0 -0.333 17.6-119.6 -77.5 154.2 18.8 64.3 22.9 233 276 A S > - 0 0 45 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.414 20.1-118.6 -86.1 160.7 17.0 65.7 20.0 234 277 A W H > S+ 0 0 32 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.869 116.0 62.4 -70.9 -24.0 18.6 67.2 17.1 235 278 A Q H > S+ 0 0 75 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.927 103.4 48.3 -60.8 -45.1 16.8 70.4 18.1 236 279 A T H >> S+ 0 0 56 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.932 112.2 48.2 -61.4 -46.0 18.8 70.4 21.3 237 280 A R H >X S+ 0 0 27 -4,-2.3 3,-1.4 1,-0.2 4,-0.8 0.906 105.6 59.2 -60.1 -38.7 22.1 69.8 19.5 238 281 A A H >X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.3 3,-0.6 0.831 96.2 64.5 -56.7 -32.5 21.2 72.6 17.0 239 282 A L H S+ 0 0 0 -4,-2.3 5,-3.3 2,-0.2 -1,-0.2 0.867 113.2 48.2 -61.4 -39.3 28.7 79.3 19.9 245 288 A I H ><>S+ 0 0 24 -4,-2.1 3,-1.7 -5,-0.3 5,-0.5 0.950 111.0 50.5 -62.9 -51.6 27.4 81.8 17.6 246 289 A D H 3<5S+ 0 0 99 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.818 105.2 58.4 -56.5 -34.8 26.1 83.9 20.6 247 290 A Q T 3<5S- 0 0 109 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.553 127.0-101.0 -74.9 -5.7 29.6 83.6 22.1 248 291 A G T < 5S+ 0 0 58 -3,-1.7 3,-0.3 -4,-0.2 -3,-0.2 0.543 91.1 114.9 99.7 8.9 31.0 85.3 19.1 249 292 A Y T > < + 0 0 59 -5,-3.3 3,-2.3 1,-0.2 -4,-0.2 0.149 21.0 123.0-101.0 23.1 32.3 82.2 17.3 250 293 A M G > - 0 0 1 -39,-2.0 4,-1.9 -2,-0.3 5,-0.2 -0.795 26.9-119.1-116.2 160.0 27.4 68.0 9.6 257 300 A N H > S+ 0 0 2 -238,-0.4 4,-3.0 -2,-0.3 5,-0.3 0.937 113.7 51.1 -55.3 -50.0 24.1 66.3 8.9 258 301 A D H > S+ 0 0 14 2,-0.2 4,-2.3 -238,-0.2 5,-0.5 0.869 105.2 52.6 -59.0 -46.5 25.1 63.3 10.9 259 302 A W H 4 S+ 0 0 1 -42,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.946 116.1 42.7 -59.8 -42.2 26.2 65.1 14.0 260 303 A L H < S+ 0 0 1 -4,-1.9 -2,-0.2 -43,-0.2 -23,-0.2 0.936 114.4 47.7 -65.3 -50.0 22.9 66.9 14.1 261 304 A F H < S- 0 0 43 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.818 106.0-127.9 -62.6 -35.1 20.7 63.9 13.3 262 305 A G S < S+ 0 0 22 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.1 0.452 72.3 84.0 101.3 2.9 22.5 61.8 15.9 263 306 A F S S- 0 0 87 -5,-0.5 2,-0.5 13,-0.1 -1,-0.2 -0.992 79.4-109.1-138.9 147.5 23.4 58.7 13.8 264 307 A S > - 0 0 0 -2,-0.3 4,-2.2 -43,-0.2 -41,-0.0 -0.548 20.5-158.8 -74.8 118.5 26.2 57.7 11.5 265 308 A S H > S+ 0 0 29 -2,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.900 91.9 61.0 -62.6 -39.7 24.8 57.5 8.0 266 309 A Y H 4 S+ 0 0 18 1,-0.2 4,-0.2 2,-0.2 3,-0.2 0.913 109.7 40.2 -51.2 -51.7 27.7 55.3 7.0 267 310 A V H >> S+ 0 0 15 1,-0.2 3,-2.3 2,-0.2 4,-0.8 0.908 105.7 64.5 -66.9 -46.5 26.6 52.6 9.5 268 311 A T H >< S+ 0 0 16 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.854 95.8 60.4 -45.7 -42.7 22.9 53.0 8.8 269 312 A N T 3< S+ 0 0 78 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.600 109.4 40.5 -63.6 -17.8 23.5 51.7 5.2 270 313 A I T <4 S+ 0 0 74 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.361 99.8 96.2-113.5 0.2 24.8 48.4 6.4 271 314 A M S << S- 0 0 72 -3,-0.9 -3,-0.0 -4,-0.8 0, 0.0 -0.503 74.1-132.9 -88.1 162.8 22.3 48.0 9.1 272 315 A D S S+ 0 0 160 -2,-0.2 2,-0.5 2,-0.0 -1,-0.1 0.703 81.1 92.0 -81.0 -27.8 19.0 46.0 9.0 273 316 A V + 0 0 62 1,-0.1 3,-0.3 -5,-0.0 -2,-0.2 -0.716 44.0 178.8 -88.2 117.3 17.1 48.9 10.5 274 317 A M S S+ 0 0 169 -2,-0.5 3,-0.2 1,-0.2 -1,-0.1 0.235 79.2 81.2 -89.9 -3.9 15.4 51.5 8.4 275 318 A D S S+ 0 0 146 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.757 85.8 58.1 -73.1 -30.9 14.2 53.0 11.6 276 319 A R S S+ 0 0 34 -3,-0.3 -1,-0.2 -8,-0.1 -2,-0.2 0.577 86.8 117.7 -75.0 -14.7 17.6 54.6 11.9 277 320 A V - 0 0 70 -3,-0.2 -3,-0.1 -9,-0.1 3,-0.1 -0.321 63.1-134.9 -69.1 143.8 17.1 56.4 8.5 278 321 A N > - 0 0 24 1,-0.2 3,-1.7 -2,-0.1 6,-0.1 -0.851 11.3-156.4 -93.3 103.7 17.1 60.2 7.9 279 322 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.785 91.7 52.1 -55.2 -28.4 14.2 60.8 5.7 280 323 A D T > S- 0 0 19 1,-0.2 3,-1.8 2,-0.1 4,-0.1 0.596 87.1-167.5 -83.9 -10.4 15.7 64.1 4.5 281 324 A G G X - 0 0 36 -3,-1.7 3,-1.2 1,-0.3 -1,-0.2 -0.260 68.1 -16.4 57.6-135.3 19.1 62.5 3.6 282 325 A M G > S+ 0 0 36 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.614 132.0 71.3 -73.8 -13.0 21.7 65.2 2.9 283 326 A A G <> + 0 0 2 -3,-1.8 4,-3.0 1,-0.2 5,-0.5 0.408 69.7 99.8 -81.4 -2.4 19.0 67.9 2.5 284 327 A F H <>>S+ 0 0 0 -3,-1.2 4,-2.4 1,-0.2 5,-1.6 0.931 79.5 48.2 -53.7 -47.2 18.4 67.7 6.3 285 328 A I H <>>S+ 0 0 9 -3,-0.5 5,-2.6 3,-0.2 4,-0.6 0.986 118.6 36.2 -60.5 -56.6 20.4 70.7 7.1 286 329 A P H 45S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.902 122.3 45.7 -64.3 -40.2 19.0 73.1 4.5 287 330 A L H <5S+ 0 0 75 -4,-3.0 -3,-0.2 -7,-0.1 -2,-0.2 0.861 134.9 2.1 -73.1 -37.1 15.4 71.7 4.7 288 331 A R H X5S+ 0 0 108 -4,-2.4 4,-1.8 -5,-0.5 -3,-0.2 0.767 123.3 53.0-122.1 -37.4 15.2 71.5 8.5 289 332 A V H X S+ 0 0 60 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.960 110.0 51.1 -59.4 -47.6 14.7 76.9 9.2 292 335 A F H X S+ 0 0 26 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.936 111.3 46.3 -56.2 -47.8 14.8 75.9 12.9 293 336 A L H <>S+ 0 0 6 -4,-2.5 5,-2.1 1,-0.2 3,-0.4 0.907 110.7 53.1 -64.4 -38.2 17.8 78.2 13.6 294 337 A R H ><5S+ 0 0 137 -4,-2.9 3,-1.9 1,-0.2 -1,-0.2 0.931 106.7 52.5 -60.7 -43.9 16.1 81.0 11.7 295 338 A E H 3<5S+ 0 0 141 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.804 104.4 57.7 -62.3 -25.8 13.1 80.5 13.9 296 339 A K T 3<5S- 0 0 99 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.389 128.8 -94.8 -84.5 0.1 15.3 80.7 17.0 297 340 A G T < 5S+ 0 0 57 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.426 74.1 145.8 107.2 -4.9 16.5 84.1 15.9 298 341 A V < - 0 0 4 -5,-2.1 -1,-0.3 1,-0.1 -2,-0.1 -0.538 50.4-115.0 -74.0 128.9 19.6 83.5 14.0 299 342 A P >> - 0 0 67 0, 0.0 4,-2.1 0, 0.0 3,-1.2 -0.283 13.2-124.5 -64.6 141.6 20.2 85.8 11.1 300 343 A Q H 3> S+ 0 0 102 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.853 110.1 53.4 -46.1 -50.3 20.2 84.5 7.6 301 344 A E H 3> S+ 0 0 164 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.783 106.7 52.3 -63.9 -30.2 23.6 86.0 6.9 302 345 A T H <> S+ 0 0 19 -3,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.903 109.4 48.1 -71.2 -45.5 25.0 84.2 9.8 303 346 A L H X S+ 0 0 6 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.859 110.9 53.1 -60.5 -36.9 23.7 80.9 8.7 304 347 A A H X>S+ 0 0 34 -4,-2.3 4,-1.8 -5,-0.3 5,-1.1 0.868 102.4 58.1 -68.3 -35.3 25.1 81.6 5.3 305 348 A G H <>S+ 0 0 8 -4,-1.4 5,-3.3 1,-0.2 -2,-0.2 0.904 109.7 45.5 -61.2 -38.3 28.5 82.3 6.8 306 349 A I H <5S+ 0 0 10 -4,-1.6 -51,-0.2 3,-0.2 -2,-0.2 0.852 118.8 37.5 -74.2 -37.7 28.5 78.8 8.3 307 350 A T H <5S+ 0 0 18 -4,-1.8 -290,-2.8 3,-0.1 -2,-0.2 0.557 135.2 15.7 -93.7 -12.5 27.3 76.9 5.2 308 351 A V T X5S+ 0 0 55 -4,-1.8 4,-1.6 -292,-0.2 -3,-0.2 0.657 127.8 38.3-120.9 -57.8 29.1 78.9 2.5 309 352 A T H > S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.881 113.6 50.6 -59.1 -44.5 33.8 75.8 4.3 312 355 A A H X S+ 0 0 12 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.936 111.0 46.2 -60.8 -52.5 35.3 77.8 1.5 313 356 A R H < S+ 0 0 96 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.1 0.868 114.4 49.8 -59.5 -38.1 37.8 79.5 3.7 314 357 A F H < S+ 0 0 6 -4,-1.8 -2,-0.2 -5,-0.3 4,-0.2 0.925 113.6 43.5 -65.7 -46.5 38.7 76.2 5.3 315 358 A L H < S+ 0 0 5 -4,-2.6 -2,-0.2 -5,-0.1 -312,-0.2 0.835 88.2 100.8 -70.7 -35.8 39.2 74.3 2.0 316 359 A S S < S- 0 0 19 -4,-2.4 2,-0.5 -5,-0.2 -314,-0.1 -0.400 87.6-115.2 -55.5 116.9 41.0 77.1 0.3 317 360 A P - 0 0 51 0, 0.0 2,-0.5 0, 0.0 -156,-0.2 -0.408 41.7-174.4 -62.8 109.7 44.7 76.0 0.5 318 361 A T 0 0 69 -158,-1.4 -158,-0.1 -2,-0.5 -159,-0.0 -0.935 360.0 360.0-118.8 116.9 46.3 78.6 2.8 319 362 A L 0 0 156 -2,-0.5 -1,-0.1 -160,-0.1 -159,-0.1 0.643 360.0 360.0-119.2 360.0 50.0 78.9 3.5