==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE ESTERASE) 16-NOV-95 1CUW . COMPND 2 MOLECULE: CUTINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NECTRIA HAEMATOCOCCA MPVI; . AUTHOR S.LONGHI,C.CAMBILLAU . 394 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 17 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 3 2 0 0 0 0 0 0 3 2 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 2 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 17 A R 0 0 258 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -87.1 19.0 9.8 42.2 2 18 A T + 0 0 33 1,-0.1 30,-2.0 30,-0.1 29,-1.8 0.342 360.0 74.0 -91.4 9.0 21.4 12.7 41.9 3 19 A T + 0 0 70 27,-0.3 2,-0.4 28,-0.2 -1,-0.1 -0.951 53.2 170.0-131.1 113.2 20.0 13.5 38.5 4 20 A R + 0 0 56 -2,-0.4 52,-1.8 49,-0.0 2,-0.3 -0.988 4.7 174.3-122.7 126.9 16.6 15.1 37.9 5 21 A D B +A 55 0A 58 -2,-0.4 4,-0.4 50,-0.2 50,-0.2 -0.717 25.2 137.0-130.0 82.6 15.5 16.4 34.4 6 22 A D S S+ 0 0 29 48,-1.4 49,-0.2 -2,-0.3 -1,-0.1 0.707 74.1 45.9-100.5 -22.3 11.9 17.5 34.5 7 23 A L S > S+ 0 0 0 47,-0.2 3,-1.4 2,-0.2 -2,-0.1 0.965 109.4 51.0 -81.9 -56.7 12.2 20.7 32.5 8 24 A I T 3 S+ 0 0 76 1,-0.3 -2,-0.1 3,-0.0 -1,-0.1 0.875 124.7 29.4 -45.6 -55.8 14.3 19.5 29.6 9 25 A N T 3 S+ 0 0 124 -4,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.403 95.9 135.7 -85.4 -3.5 11.9 16.5 28.9 10 26 A G < - 0 0 12 -3,-1.4 2,-0.6 1,-0.1 5,-0.1 -0.292 54.7-132.7 -54.7 127.5 8.9 18.5 30.3 11 27 A N > - 0 0 103 3,-0.2 3,-2.2 1,-0.2 -1,-0.1 -0.697 6.0-150.2 -83.7 116.8 5.8 18.3 28.3 12 28 A S G > S+ 0 0 65 -2,-0.6 3,-1.0 1,-0.3 -1,-0.2 0.820 95.5 64.4 -55.6 -34.0 4.3 21.8 27.8 13 29 A A G 3 S+ 0 0 93 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.1 0.422 109.9 40.3 -73.4 6.2 0.8 20.3 27.7 14 30 A S G < S+ 0 0 69 -3,-2.2 -1,-0.3 2,-0.0 -3,-0.2 -0.261 85.5 179.1-149.1 50.9 1.3 19.3 31.3 15 31 A a < - 0 0 45 -3,-1.0 2,-0.1 77,-0.1 -3,-0.1 -0.236 26.2-125.8 -61.5 140.7 3.1 22.2 32.9 16 32 A A - 0 0 3 1,-0.1 36,-0.2 2,-0.0 35,-0.2 -0.474 13.5-133.2 -78.4 157.1 4.1 22.2 36.6 17 33 A D S S+ 0 0 93 34,-1.2 80,-2.3 33,-0.3 2,-0.3 0.684 92.4 33.0 -85.4 -18.0 2.9 25.2 38.6 18 34 A V E -bc 52 97A 3 33,-1.3 35,-2.0 78,-0.2 2,-0.4 -0.993 67.4-162.4-137.9 144.3 6.4 25.6 40.1 19 35 A I E -bc 53 98A 0 78,-2.1 80,-2.4 -2,-0.3 2,-0.6 -0.978 4.0-159.1-136.0 124.0 9.9 24.9 38.7 20 36 A F E -bc 54 99A 0 33,-2.8 35,-3.3 -2,-0.4 2,-0.6 -0.884 5.1-170.2-105.6 114.3 13.1 24.5 40.7 21 37 A I E +bc 55 100A 0 78,-2.5 80,-1.6 -2,-0.6 2,-0.3 -0.915 14.6 179.2-107.0 118.7 16.5 25.0 39.0 22 38 A Y E -bc 56 101A 0 33,-2.4 35,-1.4 -2,-0.6 2,-0.4 -0.928 19.0-154.4-124.6 148.4 19.5 24.0 41.1 23 39 A A E - c 0 102A 0 78,-1.9 80,-2.2 -2,-0.3 83,-0.1 -0.968 15.1-146.4-125.4 121.6 23.3 23.9 40.6 24 40 A R - 0 0 22 -2,-0.4 82,-0.4 7,-0.3 2,-0.2 0.109 21.9-102.9 -71.3-173.3 25.7 21.5 42.4 25 41 A G > - 0 0 1 1,-0.2 3,-2.1 80,-0.2 79,-0.1 -0.687 54.1 -53.2-113.5 169.5 29.2 22.1 43.6 26 42 A S T 3 S+ 0 0 24 1,-0.3 38,-0.2 -2,-0.2 -1,-0.2 0.039 120.8 2.5 -41.7 133.2 32.7 21.0 42.4 27 43 A T T 3 S+ 0 0 109 36,-2.9 -1,-0.3 1,-0.2 37,-0.1 0.178 92.8 144.5 75.1 -17.6 33.2 17.3 41.8 28 44 A E < - 0 0 33 -3,-2.1 -1,-0.2 1,-0.1 2,-0.1 -0.195 47.9-114.8 -62.0 143.2 29.6 16.5 42.7 29 45 A T S >> S- 0 0 94 3,-0.1 4,-1.4 2,-0.1 3,-0.6 -0.370 71.0 -3.5 -77.3 154.3 27.7 13.7 40.9 30 46 A G T 34 S- 0 0 35 1,-0.2 -27,-0.3 2,-0.2 -6,-0.1 -0.340 103.1 -67.0 65.7-149.3 24.7 13.9 38.6 31 47 A N T 34 S+ 0 0 7 -29,-1.8 26,-0.9 2,-0.1 -7,-0.3 0.271 131.4 43.1-120.2 9.2 23.1 17.3 38.2 32 48 A L T <> S- 0 0 1 -30,-2.0 4,-1.6 -3,-0.6 3,-0.4 0.581 83.5-168.8-122.2 -29.1 21.8 17.8 41.8 33 49 A G T < - 0 0 1 -4,-1.4 -2,-0.1 -31,-0.7 -1,-0.1 -0.326 53.9 -37.7 71.7-151.1 24.7 16.5 43.9 34 50 A T T 4 S+ 0 0 95 2,-0.1 4,-0.3 1,-0.1 -1,-0.2 0.738 138.9 37.1 -84.0 -29.7 24.3 15.9 47.7 35 51 A L T >> S+ 0 0 10 -3,-0.4 4,-1.3 2,-0.1 3,-1.1 0.864 100.1 74.1 -91.4 -39.6 22.1 18.8 48.7 36 52 A G H 3X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.3 3,-0.3 0.830 94.2 50.8 -40.6 -54.8 19.8 19.0 45.6 37 53 A P H 3> S+ 0 0 41 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.857 104.7 59.1 -57.6 -35.1 17.7 15.8 46.4 38 54 A S H <> S+ 0 0 30 -3,-1.1 4,-1.1 -4,-0.3 -2,-0.2 0.918 108.6 42.4 -60.2 -46.7 17.0 17.1 49.9 39 55 A I H X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.3 3,-0.3 0.924 111.9 56.6 -66.2 -43.4 15.3 20.3 48.8 40 56 A A H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.887 101.4 53.8 -56.0 -46.7 13.4 18.4 46.0 41 57 A S H X S+ 0 0 67 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.895 110.1 50.7 -57.7 -36.4 11.7 15.9 48.4 42 58 A N H X S+ 0 0 61 -4,-1.1 4,-2.1 -3,-0.3 -1,-0.2 0.858 107.8 50.7 -69.4 -39.9 10.5 18.9 50.4 43 59 A L H X>S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 5,-0.5 0.858 109.2 51.6 -67.6 -36.8 9.0 20.7 47.3 44 60 A E H X5S+ 0 0 46 -4,-2.2 4,-1.2 3,-0.2 -1,-0.2 0.807 110.0 49.9 -70.0 -30.9 7.2 17.6 46.2 45 61 A S H <5S+ 0 0 103 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.954 114.0 43.1 -74.2 -45.6 5.6 17.2 49.6 46 62 A A H <5S+ 0 0 38 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.1 0.877 134.4 17.9 -66.3 -39.1 4.4 20.8 49.9 47 63 A F H <5S- 0 0 47 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.761 108.7-113.0-104.8 -33.6 3.1 20.9 46.3 48 64 A G >X< - 0 0 25 -4,-1.2 3,-1.6 -5,-0.5 4,-1.1 -0.190 33.1 -79.1 112.6 154.1 2.8 17.3 45.2 49 65 A K G >4 S+ 0 0 127 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.930 135.3 43.9 -52.5 -46.8 4.5 15.2 42.6 50 66 A D G 34 S+ 0 0 150 1,-0.2 -1,-0.3 -3,-0.1 -33,-0.3 0.524 104.9 69.0 -77.9 -3.0 2.4 16.9 39.9 51 67 A G G <4 S+ 0 0 14 -3,-1.6 -33,-1.3 -7,-0.2 -34,-1.2 0.806 100.8 33.3 -87.6 -28.1 3.0 20.3 41.4 52 68 A V E << - b 0 18A 1 -4,-1.1 2,-0.5 -3,-0.6 -33,-0.2 -0.925 57.7-147.5-135.3 151.1 6.7 20.9 40.8 53 69 A W E - b 0 19A 29 -35,-2.0 -33,-2.8 -2,-0.3 2,-0.5 -0.974 18.4-152.7-113.4 126.5 9.4 20.1 38.2 54 70 A I E + b 0 20A 0 -2,-0.5 -48,-1.4 -35,-0.2 2,-0.4 -0.902 17.4 179.5-102.6 125.3 12.9 19.7 39.6 55 71 A Q E -Ab 5 21A 1 -35,-3.3 -33,-2.4 -2,-0.5 -50,-0.2 -0.987 10.7-161.7-132.6 127.3 15.7 20.5 37.2 56 72 A G E - b 0 22A 0 -52,-1.8 2,-0.9 -2,-0.4 -33,-0.2 -0.526 29.0-111.2 -97.9 168.5 19.5 20.4 37.8 57 73 A V + 0 0 0 -35,-1.4 -33,-0.3 -26,-0.9 25,-0.1 -0.871 61.5 132.9-105.0 97.8 22.1 22.1 35.8 58 74 A G > + 0 0 19 -2,-0.9 3,-2.6 23,-0.1 -1,-0.1 0.364 32.7 82.0-106.9-113.4 24.0 19.5 33.9 59 75 A G T 3 S- 0 0 58 1,-0.3 19,-0.1 22,-0.1 -2,-0.1 -0.204 116.0 -2.4 48.6-114.0 24.8 19.8 30.3 60 76 A A T 3 S+ 0 0 38 17,-0.2 2,-1.0 18,-0.1 -1,-0.3 0.635 109.8 98.2 -83.0 -16.9 27.9 21.9 29.9 61 77 A Y < + 0 0 3 -3,-2.6 -1,-0.0 17,-0.2 -4,-0.0 -0.641 43.5 168.1 -75.3 105.1 28.3 22.7 33.6 62 78 A R - 0 0 169 -2,-1.0 -35,-0.2 2,-0.0 -1,-0.1 -0.301 40.3-128.6-117.1 52.1 30.9 20.2 34.7 63 79 A A - 0 0 6 -37,-0.1 -36,-2.9 1,-0.1 2,-0.2 0.517 39.2-177.1 1.0 73.8 31.7 21.5 38.3 64 80 A T - 0 0 55 -38,-0.2 -38,-0.1 1,-0.1 -1,-0.1 -0.566 30.2-135.7 -91.2 147.3 35.5 21.6 37.7 65 81 A L S > S+ 0 0 62 -2,-0.2 3,-2.2 1,-0.2 4,-0.3 0.955 101.1 54.2 -65.6 -55.0 37.9 22.6 40.5 66 82 A A G > S+ 0 0 63 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.715 94.7 71.0 -55.8 -22.2 40.2 24.8 38.4 67 83 A D G > S+ 0 0 42 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.526 78.6 76.4 -75.5 -5.9 37.2 26.9 37.3 68 84 A N G < S+ 0 0 9 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.771 90.6 58.4 -72.4 -23.4 36.8 28.4 40.8 69 85 A F G < S+ 0 0 73 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.462 83.6 107.3 -85.1 -1.9 39.8 30.5 39.9 70 86 A L S X S- 0 0 67 -3,-0.9 3,-3.1 1,-0.1 4,-0.1 -0.459 89.1 -96.1 -76.2 153.6 38.1 32.1 36.9 71 87 A P T 3 S+ 0 0 119 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.761 122.9 33.9 -34.9 -51.2 36.9 35.8 37.1 72 88 A R T 3 S- 0 0 94 2,-0.6 40,-0.2 37,-0.0 3,-0.1 0.155 118.1-102.1-100.6 24.6 33.3 35.0 38.0 73 89 A G S < S+ 0 0 1 -3,-3.1 2,-0.3 -5,-0.1 36,-0.2 0.720 100.0 47.8 66.1 18.1 34.0 32.0 40.1 74 90 A T S S- 0 0 6 34,-0.1 -2,-0.6 -4,-0.1 -1,-0.1 -0.964 92.9 -73.5-173.6 169.0 32.9 29.7 37.2 75 91 A S > - 0 0 17 -2,-0.3 4,-1.5 1,-0.1 -8,-0.0 -0.362 29.3-127.8 -76.2 154.9 33.2 29.1 33.5 76 92 A S H > S+ 0 0 91 1,-0.2 4,-1.4 2,-0.2 3,-0.1 0.930 111.3 56.3 -64.2 -42.5 31.6 31.2 30.7 77 93 A A H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.896 102.7 51.6 -55.1 -50.8 30.1 28.0 29.3 78 94 A A H > S+ 0 0 0 1,-0.2 4,-2.3 -18,-0.2 5,-0.3 0.884 104.4 58.5 -57.4 -41.6 28.3 27.0 32.6 79 95 A I H X S+ 0 0 6 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.917 105.4 48.4 -57.9 -45.0 26.6 30.4 32.8 80 96 A R H X S+ 0 0 183 -4,-1.4 4,-2.8 -3,-0.2 -1,-0.2 0.877 108.9 56.5 -63.9 -34.9 25.0 30.0 29.3 81 97 A E H X S+ 0 0 55 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.977 112.3 38.2 -58.8 -61.5 23.8 26.5 30.4 82 98 A M H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 3,-0.3 0.900 115.9 53.9 -58.3 -41.9 21.9 27.7 33.4 83 99 A L H X S+ 0 0 19 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.918 105.6 55.5 -57.7 -42.0 20.7 30.9 31.5 84 100 A G H X S+ 0 0 28 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.857 102.9 54.0 -60.4 -38.4 19.4 28.5 28.9 85 101 A L H X S+ 0 0 4 -4,-1.5 4,-2.4 -3,-0.3 -1,-0.2 0.873 104.9 53.5 -65.2 -39.6 17.2 26.6 31.3 86 102 A F H X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.2 -1,-0.2 0.934 110.1 47.6 -60.4 -46.1 15.5 29.8 32.6 87 103 A Q H X S+ 0 0 100 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.895 111.0 52.1 -61.9 -41.1 14.5 30.8 29.1 88 104 A Q H X S+ 0 0 56 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.916 108.7 49.7 -62.1 -46.3 13.3 27.3 28.4 89 105 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 7,-0.2 0.920 109.4 50.9 -59.4 -46.3 11.1 27.3 31.5 90 106 A N H < S+ 0 0 53 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.810 114.2 48.0 -61.7 -30.8 9.5 30.7 30.6 91 107 A T H < S+ 0 0 104 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.1 0.989 116.1 36.1 -74.7 -66.9 8.8 29.2 27.1 92 108 A K H < S+ 0 0 43 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.902 136.3 21.1 -54.0 -46.0 7.2 25.8 27.9 93 109 A a >< + 0 0 4 -4,-2.3 3,-1.2 -5,-0.3 -1,-0.3 -0.741 62.8 170.6-130.2 87.3 5.4 27.2 31.0 94 110 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.592 81.4 52.6 -71.6 -12.3 4.9 31.0 31.1 95 111 A D T 3 S+ 0 0 136 2,-0.1 2,-0.2 -77,-0.0 -5,-0.1 0.370 85.3 107.1-102.9 1.1 2.6 30.9 34.1 96 112 A A S < S- 0 0 4 -3,-1.2 2,-0.3 -7,-0.2 -78,-0.2 -0.597 70.1-125.9 -84.2 142.4 4.8 28.8 36.3 97 113 A T E -c 18 0A 15 -80,-2.3 -78,-2.1 -2,-0.2 2,-0.3 -0.698 27.4-141.0 -84.4 139.2 6.6 30.4 39.2 98 114 A L E +cd 19 125A 2 26,-2.3 28,-2.5 -2,-0.3 29,-0.7 -0.796 21.7 176.4-106.8 146.8 10.4 29.9 39.2 99 115 A I E -cd 20 127A 0 -80,-2.4 -78,-2.5 -2,-0.3 2,-0.3 -0.972 6.9-170.6-141.9 153.8 12.8 29.2 42.1 100 116 A A E +cd 21 128A 0 27,-2.0 29,-1.8 -2,-0.3 2,-0.3 -0.977 9.5 176.5-147.4 161.2 16.5 28.4 42.2 101 117 A G E -cd 22 129A 0 -80,-1.6 -78,-1.9 -2,-0.3 2,-0.3 -0.980 4.2-175.0-157.2 162.6 19.4 27.3 44.4 102 118 A G E -cd 23 130A 0 27,-1.5 29,-2.4 -2,-0.3 2,-0.4 -0.983 14.2-140.0-163.5 154.3 23.1 26.5 44.3 103 119 A Y E > - d 0 131A 19 -80,-2.2 3,-2.5 -2,-0.3 2,-0.2 -0.962 62.7 -44.3-126.9 130.8 26.1 25.2 46.3 104 120 A S T >> S+ 0 0 9 27,-2.3 4,-1.7 -2,-0.4 3,-1.0 -0.404 139.8 9.8 55.7-113.9 29.8 26.4 46.4 105 121 A Q H 3> S+ 0 0 1 1,-0.3 4,-2.6 -2,-0.2 -1,-0.3 0.845 133.0 55.6 -62.5 -31.6 30.6 26.8 42.7 106 122 A G H <> S+ 0 0 0 -3,-2.5 4,-2.5 -82,-0.4 -1,-0.3 0.760 102.5 57.4 -70.1 -23.7 26.9 26.4 41.8 107 123 A A H <> S+ 0 0 0 -3,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.943 108.8 44.5 -69.8 -46.0 26.3 29.2 44.2 108 124 A A H X S+ 0 0 2 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.917 113.6 52.0 -62.0 -42.6 28.6 31.4 42.1 109 125 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.903 108.0 49.9 -59.2 -48.8 26.9 30.0 39.0 110 126 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.916 111.8 49.2 -59.1 -42.9 23.4 30.9 40.2 111 127 A A H X S+ 0 0 1 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.961 114.6 44.0 -62.1 -51.5 24.6 34.4 41.1 112 128 A A H X S+ 0 0 5 -4,-2.8 4,-1.5 -40,-0.2 -2,-0.2 0.909 114.9 47.7 -60.9 -47.2 26.2 35.0 37.6 113 129 A S H X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.2 3,-0.4 0.937 112.9 46.4 -61.6 -52.6 23.3 33.4 35.6 114 130 A I H < S+ 0 0 0 -4,-2.3 3,-0.4 -5,-0.2 -1,-0.2 0.822 110.1 57.0 -60.6 -28.8 20.5 35.4 37.3 115 131 A E H < S+ 0 0 64 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.868 111.6 40.8 -68.2 -38.3 22.6 38.5 37.0 116 132 A D H < S+ 0 0 75 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.412 94.3 116.9 -88.7 -1.8 22.8 38.0 33.2 117 133 A L S < S- 0 0 5 -4,-0.7 2,-0.2 -3,-0.4 -3,-0.0 -0.356 78.6 -98.0 -73.6 147.7 19.1 37.0 32.9 118 134 A D >> - 0 0 84 1,-0.1 4,-2.3 -2,-0.1 3,-1.4 -0.479 35.0-128.1 -61.1 127.1 16.5 39.0 31.0 119 135 A S H 3> S+ 0 0 68 1,-0.3 4,-1.4 -2,-0.2 -1,-0.1 0.765 103.6 59.9 -52.0 -33.9 14.7 41.1 33.6 120 136 A A H 34 S+ 0 0 61 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.840 112.7 38.2 -66.2 -33.7 11.2 40.0 32.5 121 137 A I H X4 S+ 0 0 6 -3,-1.4 3,-1.8 1,-0.2 4,-0.4 0.876 109.1 62.3 -81.7 -39.4 12.0 36.4 33.3 122 138 A R H >< S+ 0 0 30 -4,-2.3 3,-1.0 1,-0.3 -2,-0.2 0.766 95.5 61.6 -56.2 -30.3 14.1 37.2 36.4 123 139 A D T 3< S+ 0 0 109 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.755 93.1 66.3 -68.1 -25.5 10.9 38.7 38.0 124 140 A K T < S+ 0 0 57 -3,-1.8 -26,-2.3 -4,-0.3 2,-0.9 0.616 76.4 97.1 -69.9 -18.6 9.3 35.2 37.8 125 141 A I E < -d 98 0A 0 -3,-1.0 -26,-0.2 -4,-0.4 3,-0.1 -0.687 55.1-170.5 -78.2 108.9 11.8 33.8 40.3 126 142 A A E - 0 0 1 -28,-2.5 2,-0.3 -2,-0.9 -27,-0.2 0.833 65.2 -9.4 -68.3 -32.5 10.0 33.9 43.7 127 143 A G E -d 99 0A 0 -29,-0.7 -27,-2.0 -3,-0.1 2,-0.4 -0.980 51.2-155.3-167.2 155.8 13.1 33.0 45.6 128 144 A T E -de 100 151A 0 22,-2.8 24,-1.3 -2,-0.3 2,-0.4 -0.998 8.2-163.2-137.8 137.3 16.7 31.8 45.6 129 145 A V E -de 101 152A 0 -29,-1.8 -27,-1.5 -2,-0.4 2,-0.4 -0.973 6.9-167.0-123.3 132.6 18.8 30.0 48.2 130 146 A L E -de 102 153A 0 22,-2.5 24,-2.8 -2,-0.4 2,-0.5 -0.977 4.5-158.3-125.0 134.0 22.6 29.8 48.2 131 147 A F E S-de 103 154A 0 -29,-2.4 -27,-2.3 -2,-0.4 -24,-0.2 -0.926 76.2 -8.7-115.9 125.7 24.9 27.5 50.3 132 148 A G S S- 0 0 0 22,-3.1 2,-0.3 -2,-0.5 -1,-0.2 0.940 83.2-153.4 56.8 48.2 28.5 28.3 51.0 133 149 A Y > - 0 0 0 21,-0.4 3,-1.3 -3,-0.3 4,-0.2 -0.398 10.0-158.4 -56.8 113.3 28.4 31.2 48.5 134 150 A T T 3 S+ 0 0 8 -30,-0.7 4,-0.2 -2,-0.3 -1,-0.2 0.641 90.9 46.1 -72.0 -17.8 32.0 31.6 47.2 135 151 A K T 3> S+ 0 0 48 1,-0.1 4,-3.4 2,-0.1 6,-0.3 0.053 76.6 116.6-111.7 25.6 31.4 35.2 46.1 136 152 A N T <4>S+ 0 0 36 -3,-1.3 5,-2.7 25,-0.3 6,-0.3 0.933 80.5 39.1 -57.9 -54.4 29.6 36.4 49.3 137 153 A L T >45S+ 0 0 80 25,-0.4 3,-2.6 24,-0.3 -1,-0.1 0.995 120.0 46.6 -57.8 -63.1 32.2 39.0 50.3 138 154 A Q T 345S+ 0 0 70 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.874 118.5 40.2 -47.5 -50.9 32.8 40.2 46.8 139 155 A N T ><5S- 0 0 56 -4,-3.4 3,-1.8 3,-0.1 -1,-0.3 0.207 112.0-119.4 -86.7 13.9 29.0 40.4 46.0 140 156 A R T < 5 - 0 0 173 -3,-2.6 -3,-0.2 1,-0.3 -4,-0.1 0.745 65.3 -59.9 54.7 33.9 28.3 41.8 49.4 141 157 A G T 3 - 0 0 2 3,-0.4 3,-2.2 -2,-0.2 -31,-0.1 -0.982 45.7-106.1-116.1 122.7 22.9 38.5 44.0 144 160 A P T 3 S+ 0 0 29 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.263 102.8 5.6 -50.9 130.8 23.6 41.2 41.5 145 161 A N T 3 S+ 0 0 108 1,-0.2 -23,-0.0 -29,-0.0 0, 0.0 0.503 107.4 111.9 70.7 11.5 20.2 42.6 40.1 146 162 A Y < - 0 0 11 -3,-2.2 -3,-0.4 1,-0.0 -1,-0.2 -0.901 69.8-108.8-119.9 140.5 18.2 40.5 42.5 147 163 A P > - 0 0 50 0, 0.0 3,-1.0 0, 0.0 4,-0.4 -0.264 16.8-129.4 -65.9 150.2 16.0 41.8 45.5 148 164 A A G > S+ 0 0 56 1,-0.2 3,-1.9 2,-0.2 -2,-0.0 0.950 104.4 60.0 -65.1 -49.5 17.0 41.3 49.1 149 165 A D G 3 S+ 0 0 109 1,-0.3 -1,-0.2 -22,-0.0 3,-0.0 0.334 108.9 45.7 -66.8 14.5 13.6 39.9 50.2 150 166 A R G < S+ 0 0 56 -3,-1.0 -22,-2.8 -23,-0.1 2,-0.3 0.403 98.2 81.6-131.1 -7.6 14.0 37.0 47.7 151 167 A T E < -e 128 0A 22 -3,-1.9 2,-0.3 -4,-0.4 -22,-0.2 -0.803 49.2-180.0-106.5 144.6 17.6 36.0 48.4 152 168 A K E -e 129 0A 79 -24,-1.3 -22,-2.5 -2,-0.3 2,-0.3 -0.839 5.5-169.7-148.5 107.4 18.8 33.7 51.3 153 169 A V E -e 130 0A 37 -2,-0.3 2,-0.5 -24,-0.2 -22,-0.2 -0.758 8.7-155.9 -99.9 142.0 22.5 32.8 51.8 154 170 A F E +e 131 0A 13 -24,-2.8 -22,-3.1 -2,-0.3 2,-0.4 -0.969 19.8 166.7-119.0 112.6 23.8 30.2 54.2 155 171 A b - 0 0 48 -2,-0.5 3,-0.1 -24,-0.2 17,-0.1 -0.874 24.6-145.4-131.0 98.2 27.4 30.7 55.3 156 172 A N > - 0 0 49 -2,-0.4 3,-1.3 15,-0.2 6,-0.2 -0.132 33.1 -93.1 -55.1 157.5 28.5 28.6 58.3 157 173 A T T 3 S+ 0 0 142 1,-0.2 -1,-0.1 14,-0.0 3,-0.1 -0.471 113.4 27.3 -71.5 141.0 30.9 30.1 60.8 158 174 A G T 3 S+ 0 0 39 1,-0.2 2,-1.2 -2,-0.1 -1,-0.2 0.272 82.6 128.5 90.8 -14.7 34.5 29.1 59.9 159 175 A D X - 0 0 3 -3,-1.3 3,-1.4 1,-0.2 4,-0.5 -0.642 39.5-169.9 -78.5 98.7 33.7 28.8 56.2 160 176 A L G >>>S+ 0 0 54 -2,-1.2 5,-1.8 1,-0.3 4,-1.1 0.706 75.4 73.2 -65.3 -19.5 36.4 31.0 54.7 161 177 A V G 345S+ 0 0 1 6,-0.3 -24,-0.3 1,-0.3 -25,-0.3 0.821 97.0 51.8 -66.2 -24.9 35.0 30.9 51.1 162 178 A b G <45S+ 0 0 12 -3,-1.4 -25,-0.4 1,-0.2 -1,-0.3 0.706 104.0 58.4 -79.9 -21.5 32.3 33.3 52.4 163 179 A T T <45S- 0 0 88 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.702 129.8 -93.1 -80.1 -22.5 35.0 35.5 53.8 164 180 A G T <5S+ 0 0 27 -4,-1.1 2,-0.2 1,-0.4 -3,-0.2 0.551 90.3 99.5 121.1 14.0 36.5 35.9 50.3 165 181 A S < - 0 0 44 -5,-1.8 -1,-0.4 2,-0.1 -2,-0.1 -0.671 69.3-126.0-120.2 176.5 39.1 33.3 50.0 166 182 A L + 0 0 49 -2,-0.2 200,-0.8 -3,-0.1 2,-0.5 -0.016 61.9 129.2-114.5 30.4 39.3 29.8 48.4 167 183 A I E -f 366 0B 34 198,-0.1 2,-0.9 -7,-0.1 -6,-0.3 -0.746 48.6-149.0 -86.8 122.8 40.5 27.9 51.5 168 184 A I E +f 367 0B 27 198,-2.2 200,-0.6 -2,-0.5 2,-0.1 -0.796 25.8 167.9-100.2 96.3 38.2 24.8 51.9 169 185 A L > - 0 0 52 -2,-0.9 3,-1.3 -11,-0.2 4,-0.4 -0.378 51.0 -83.9 -96.4 179.1 37.9 23.9 55.6 170 186 A A G > S+ 0 0 77 1,-0.2 3,-1.7 2,-0.2 4,-0.1 0.822 117.7 65.3 -55.7 -42.0 35.5 21.5 57.3 171 187 A P G > S+ 0 0 38 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.780 88.1 72.6 -54.9 -24.8 32.5 23.8 57.8 172 188 A H G < S+ 0 0 5 -3,-1.3 -2,-0.2 1,-0.3 3,-0.1 0.816 96.0 49.7 -60.8 -31.3 32.1 24.0 54.0 173 189 A F G < S+ 0 0 136 -3,-1.7 2,-0.4 -4,-0.4 3,-0.3 0.293 91.5 87.6 -92.0 11.7 30.8 20.4 53.9 174 190 A A < + 0 0 49 -3,-1.9 -1,-0.2 1,-0.2 4,-0.2 -0.422 46.4 105.1-110.1 58.0 28.2 21.0 56.6 175 191 A Y > + 0 0 2 -2,-0.4 4,-2.2 -3,-0.1 5,-0.2 0.412 45.6 103.0-113.4 5.7 25.1 22.3 54.9 176 192 A G H > S+ 0 0 14 -3,-0.3 4,-1.7 1,-0.2 5,-0.2 0.870 80.5 50.5 -51.8 -51.2 23.0 19.2 55.1 177 193 A P H > S+ 0 0 89 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.903 111.2 49.4 -54.6 -49.0 20.8 20.5 58.0 178 194 A D H 4>S+ 0 0 36 1,-0.2 5,-2.7 2,-0.2 3,-0.5 0.874 110.2 50.5 -58.2 -44.4 20.1 23.7 56.2 179 195 A A H <5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.1 0.811 107.6 53.0 -66.6 -33.8 19.1 21.9 53.0 180 196 A R H <5S- 0 0 157 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.674 130.9 -0.9 -76.9 -18.2 16.7 19.5 54.8 181 197 A G T X5S+ 0 0 26 -4,-0.9 4,-2.0 -3,-0.5 5,-0.2 0.534 124.9 39.3-133.9 -81.1 14.8 22.4 56.4 182 198 A P H >5S+ 0 0 51 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.833 113.0 57.6 -51.5 -35.6 15.3 26.2 56.2 183 199 A A H >> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.832 115.8 58.7 -58.4 -31.6 13.0 24.4 51.1 185 201 A E H 3X S+ 0 0 141 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.882 105.2 48.1 -64.8 -41.3 10.8 26.2 53.7 186 202 A F H +G 253 0C 56 -2,-0.4 4,-1.7 50,-0.2 5,-0.3 -0.225 25.9 139.4-129.8 41.7 69.4 38.6 57.8 204 22 B D H > S+ 0 0 50 48,-2.1 4,-1.6 2,-0.2 49,-0.2 0.842 79.0 43.2 -55.0 -39.5 72.5 36.9 59.1 205 23 B L H >4 S+ 0 0 0 47,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.983 108.8 55.6 -69.5 -61.3 74.0 36.7 55.5 206 24 B I H 34 S+ 0 0 81 1,-0.3 -2,-0.2 3,-0.0 -1,-0.2 0.787 121.0 32.5 -39.9 -37.1 73.1 40.2 54.4 207 25 B N H 3< S+ 0 0 106 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.697 91.5 111.1 -99.5 -22.7 74.9 41.5 57.4 208 26 B G << - 0 0 9 -4,-1.6 2,-0.4 -3,-0.5 5,-0.1 -0.142 62.6-130.9 -54.0 146.4 77.7 39.1 57.9 209 27 B N > - 0 0 106 3,-0.3 3,-2.6 1,-0.1 -1,-0.1 -0.843 14.0-124.6-103.4 143.0 81.2 40.3 57.2 210 28 B S T 3 S+ 0 0 82 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.646 112.1 60.3 -54.7 -17.8 83.7 38.4 55.0 211 29 B A T 3 S+ 0 0 103 1,-0.2 -1,-0.3 80,-0.0 -3,-0.0 0.534 108.2 41.9 -89.9 -7.7 86.1 38.5 58.0 212 30 B S S < S+ 0 0 66 -3,-2.6 -3,-0.3 2,-0.0 -1,-0.2 -0.509 82.6 176.1-137.5 61.8 83.8 36.6 60.3 213 31 B c - 0 0 52 -3,-0.4 -3,-0.1 77,-0.1 2,-0.1 -0.486 23.0-134.2 -77.1 142.2 82.3 33.8 58.1 214 32 B A - 0 0 6 -2,-0.2 36,-0.2 1,-0.1 35,-0.2 -0.268 13.8-129.1 -80.6 172.1 80.0 31.1 59.4 215 33 B D S S+ 0 0 78 34,-1.5 80,-2.9 1,-0.3 2,-0.4 0.738 93.5 31.4 -93.1 -32.2 80.5 27.4 58.5 216 34 B V E -hi 250 295C 1 33,-1.2 35,-2.4 78,-0.2 2,-0.4 -0.985 66.7-163.8-129.5 138.3 77.0 26.9 57.3 217 35 B I E -hi 251 296C 0 78,-2.2 80,-1.8 -2,-0.4 2,-0.5 -0.997 7.3-158.8-125.9 125.2 74.6 29.4 55.7 218 36 B F E -hi 252 297C 0 33,-2.4 35,-2.8 -2,-0.4 2,-0.5 -0.921 6.6-172.9-109.1 122.2 70.9 28.7 55.5 219 37 B I E +hi 253 298C 0 78,-2.2 80,-1.4 -2,-0.5 2,-0.3 -0.969 12.2 179.7-117.2 124.3 68.7 30.4 52.9 220 38 B Y E -hi 254 299C 0 33,-2.6 35,-1.2 -2,-0.5 2,-0.5 -0.958 19.4-147.8-130.6 146.6 64.9 29.9 53.1 221 39 B A E - i 0 300C 0 78,-1.6 80,-1.7 -2,-0.3 9,-0.1 -0.948 19.4-138.9-117.4 127.7 61.8 31.1 51.2 222 40 B R - 0 0 24 -2,-0.5 82,-0.5 33,-0.3 9,-0.1 -0.085 21.1-101.3 -76.7 174.5 58.4 31.7 52.9 223 41 B G > - 0 0 0 80,-0.2 3,-1.5 1,-0.2 79,-0.2 -0.313 56.2 -61.5 -89.4 178.3 54.9 30.9 51.8 224 42 B S T 3 S- 0 0 26 1,-0.3 38,-0.2 -2,-0.1 -1,-0.2 -0.350 119.0 -2.5 -66.0 131.6 52.3 33.2 50.3 225 43 B T T 3 S+ 0 0 99 36,-2.0 -1,-0.3 35,-0.2 37,-0.1 0.492 94.2 150.3 67.5 6.5 51.2 36.0 52.5 226 44 B E < - 0 0 29 -3,-1.5 -1,-0.2 35,-0.1 2,-0.1 -0.298 49.3-103.9 -68.8 152.0 53.4 34.8 55.3 227 45 B T S > S- 0 0 94 -3,-0.1 4,-1.6 3,-0.1 3,-0.4 -0.385 75.5 -13.9 -77.1 157.8 54.8 37.4 57.7 228 46 B G T 4 S- 0 0 37 1,-0.2 -27,-0.2 2,-0.2 -6,-0.1 -0.159 103.6 -62.2 54.4-139.7 58.4 38.6 57.7 229 47 B N T 4 S+ 0 0 11 -29,-2.4 26,-0.8 2,-0.1 -7,-0.3 0.360 132.4 46.4-121.4 -2.5 60.9 36.7 55.6 230 48 B L T > S- 0 0 0 -30,-2.2 4,-1.8 -3,-0.4 -2,-0.2 0.510 82.8-169.8-115.4 -10.7 60.7 33.3 57.5 231 49 B G T < - 0 0 2 -4,-1.6 -2,-0.1 -31,-0.5 -1,-0.1 -0.097 54.0 -38.0 53.5-153.0 57.0 32.8 57.8 232 50 B T T > S+ 0 0 83 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 0.963 140.9 37.7 -71.2 -54.6 55.6 30.0 60.1 233 51 B L H > S+ 0 0 11 1,-0.2 4,-1.4 2,-0.1 -2,-0.2 0.683 99.6 81.8 -75.1 -15.2 58.1 27.2 59.5 234 52 B G H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-0.3 0.931 90.6 43.3 -54.8 -60.5 61.1 29.5 59.3 235 53 B P H > S+ 0 0 32 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.771 108.3 60.3 -57.0 -35.8 62.0 30.1 63.0 236 54 B S H X S+ 0 0 28 -4,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.924 108.9 42.0 -60.3 -48.4 61.5 26.4 63.9 237 55 B I H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.3 5,-0.2 0.925 112.2 54.4 -67.4 -44.1 64.2 25.2 61.5 238 56 B A H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.863 106.3 53.9 -58.6 -37.2 66.6 28.1 62.5 239 57 B S H X S+ 0 0 61 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.984 110.6 42.5 -62.4 -59.4 66.3 27.1 66.2 240 58 B N H X S+ 0 0 69 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.913 114.0 53.7 -54.1 -46.6 67.3 23.5 65.9 241 59 B L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.4 0.932 107.9 49.4 -55.1 -47.6 70.0 24.4 63.4 242 60 B E H X S+ 0 0 26 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.883 105.2 59.6 -60.7 -36.4 71.5 26.9 65.9 243 61 B S H < S+ 0 0 102 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.937 112.0 39.6 -56.8 -46.4 71.3 24.2 68.6 244 62 B A H < S+ 0 0 46 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.947 130.0 22.9 -71.4 -54.4 73.6 22.0 66.5 245 63 B F H < S- 0 0 50 -4,-2.3 4,-0.2 1,-0.1 -3,-0.2 0.513 108.6-118.1 -94.0 -6.2 76.2 24.4 65.0 246 64 B G >X - 0 0 31 -4,-2.1 3,-2.0 -5,-0.4 4,-0.8 0.414 32.7 -76.9 78.8 141.0 75.9 27.2 67.6 247 65 B K G >4 S+ 0 0 124 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.826 131.6 39.1 -33.0 -59.1 74.7 30.8 67.0 248 66 B D G 34 S+ 0 0 150 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.587 107.9 64.3 -75.4 -13.4 78.0 32.0 65.5 249 67 B G G <4 S+ 0 0 10 -3,-2.0 -34,-1.5 -4,-0.2 -33,-1.2 0.544 106.3 42.3 -87.8 -6.1 78.6 28.8 63.5 250 68 B V E << - h 0 216C 0 -3,-1.0 2,-0.4 -4,-0.8 -33,-0.2 -0.999 65.1-151.2-145.0 135.4 75.6 29.2 61.3 251 69 B W E - h 0 217C 24 -35,-2.4 -33,-2.4 -2,-0.3 2,-0.4 -0.840 12.9-155.1-101.7 143.6 73.9 32.1 59.5 252 70 B I E - h 0 218C 0 -2,-0.4 -48,-2.1 -35,-0.2 2,-0.4 -0.983 14.9-178.3-120.6 132.3 70.2 32.1 58.9 253 71 B Q E -Gh 203 219C 2 -35,-2.8 -33,-2.6 -2,-0.4 -50,-0.2 -0.986 13.7-157.1-139.9 130.5 68.7 34.1 55.9 254 72 B G E - h 0 220C 0 -52,-2.3 2,-0.7 -2,-0.4 -33,-0.2 -0.541 28.6-111.9 -96.3 163.4 65.2 34.7 54.7 255 73 B V + 0 0 0 -35,-1.2 -33,-0.3 -26,-0.8 2,-0.1 -0.878 55.2 136.2-102.2 114.5 64.3 35.7 51.1 256 74 B G > + 0 0 25 -2,-0.7 3,-2.4 23,-0.1 2,-0.2 -0.057 30.0 78.7-121.8-130.8 62.9 39.2 50.8 257 75 B G T 3 S+ 0 0 48 1,-0.3 19,-0.1 -2,-0.1 -2,-0.0 -0.406 117.1 5.8 59.7-118.9 63.6 42.0 48.4 258 76 B A T 3 S+ 0 0 30 17,-0.2 2,-0.9 -2,-0.2 18,-0.3 0.692 108.2 100.0 -69.3 -21.6 61.7 41.2 45.2 259 77 B Y < + 0 0 2 -3,-2.4 -1,-0.0 16,-0.2 -2,-0.0 -0.556 40.7 164.1 -70.2 106.8 60.0 38.2 46.8 260 78 B R - 0 0 174 -2,-0.9 -35,-0.2 -4,-0.1 -1,-0.2 0.418 39.9-134.7-105.7 2.4 56.6 39.5 47.8 261 79 B A + 0 0 1 1,-0.1 -36,-2.0 -37,-0.1 -35,-0.1 0.741 38.6 178.3 48.6 37.0 54.7 36.2 48.4 262 80 B T - 0 0 55 -38,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.130 38.2-133.6 -64.0 154.8 51.6 37.3 46.4 263 81 B L S > S+ 0 0 104 1,-0.1 3,-0.8 2,-0.1 -1,-0.1 0.796 105.7 57.3 -78.0 -31.3 48.5 35.0 45.9 264 82 B A G > S+ 0 0 61 1,-0.2 3,-1.7 2,-0.1 -1,-0.1 0.866 93.3 64.6 -67.2 -39.0 48.5 36.0 42.2 265 83 B D G > S+ 0 0 36 1,-0.3 3,-1.1 2,-0.1 -1,-0.2 0.484 81.1 78.8 -66.0 -7.4 52.1 34.9 41.4 266 84 B N G < S+ 0 0 23 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.589 89.9 60.2 -74.4 -10.5 51.3 31.2 42.0 267 85 B F G < S+ 0 0 110 -3,-1.7 -1,-0.2 -4,-0.1 -2,-0.1 0.108 80.8 105.8-102.5 16.1 49.7 31.3 38.6 268 86 B L S X S- 0 0 71 -3,-1.1 3,-3.0 1,-0.1 4,-0.1 -0.720 90.3 -96.0 -95.3 152.9 52.9 32.3 36.6 269 87 B P T 3 S+ 0 0 126 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.762 123.7 36.2 -32.8 -42.7 54.7 29.7 34.4 270 88 B R T 3 S- 0 0 80 2,-0.5 40,-0.2 -5,-0.1 63,-0.1 0.214 114.8-104.6-104.6 18.3 57.2 28.8 37.2 271 89 B G S < S+ 0 0 2 -3,-3.0 2,-0.3 1,-0.1 36,-0.3 0.661 100.3 39.2 70.7 15.5 55.0 29.1 40.3 272 90 B T S S- 0 0 5 34,-0.1 -2,-0.5 -4,-0.1 -1,-0.1 -0.943 94.9 -79.6-178.7 165.7 56.6 32.4 41.2 273 91 B S > - 0 0 21 -2,-0.3 4,-0.8 1,-0.1 -15,-0.0 -0.262 29.2-123.7 -77.5 169.2 57.8 35.6 39.6 274 92 B S H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.817 110.5 62.4 -79.6 -31.3 61.1 36.2 37.8 275 93 B A H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -17,-0.2 0.944 103.3 48.8 -59.2 -46.6 61.9 39.1 40.1 276 94 B A H > S+ 0 0 0 -18,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.814 110.9 52.3 -62.6 -32.0 61.9 36.7 43.1 277 95 B I H X S+ 0 0 5 -4,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.824 107.6 47.0 -78.0 -33.7 64.1 34.3 41.2 278 96 B R H X S+ 0 0 212 -4,-2.1 4,-1.8 -3,-0.2 -1,-0.2 0.816 113.5 56.9 -73.5 -24.7 66.9 36.7 40.3 279 97 B E H X S+ 0 0 63 -4,-1.6 4,-1.4 -5,-0.3 -2,-0.2 0.960 107.3 41.2 -66.9 -56.4 66.5 37.6 44.0 280 98 B M H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.893 113.1 57.4 -61.6 -36.3 67.2 34.2 45.5 281 99 B L H X S+ 0 0 30 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.900 100.2 57.1 -60.6 -42.9 70.0 33.7 43.0 282 100 B G H X S+ 0 0 27 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.910 104.5 52.3 -56.2 -43.1 71.7 36.9 44.2 283 101 B L H X S+ 0 0 15 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.912 105.2 52.8 -62.1 -44.0 71.9 35.6 47.7 284 102 B F H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.931 113.2 46.5 -57.4 -42.5 73.5 32.3 46.8 285 103 B Q H X S+ 0 0 103 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.937 108.2 55.0 -63.8 -47.4 76.1 34.3 44.9 286 104 B Q H X S+ 0 0 71 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.886 109.9 46.5 -53.1 -43.9 76.6 36.7 47.9 287 105 B A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.917 111.3 52.4 -65.6 -41.5 77.4 33.7 50.2 288 106 B N H < S+ 0 0 49 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.786 113.3 44.9 -64.8 -29.8 79.7 32.3 47.6 289 107 B T H < S+ 0 0 106 -4,-2.0 -2,-0.2 2,-0.1 -1,-0.2 0.880 119.6 38.2 -81.3 -44.2 81.5 35.7 47.4 290 108 B K H < S+ 0 0 46 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.902 133.2 18.8 -74.5 -43.1 81.7 36.4 51.2 291 109 B c >< + 0 0 4 -4,-2.9 3,-1.5 -5,-0.2 -1,-0.2 -0.671 59.6 169.6-134.1 81.2 82.5 32.8 52.4 292 110 B P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.695 82.9 54.7 -64.0 -18.1 83.7 30.5 49.6 293 111 B D T 3 S+ 0 0 146 2,-0.1 -5,-0.1 0, 0.0 2,-0.1 0.515 88.0 101.7 -93.2 -7.7 84.6 27.9 52.3 294 112 B A S < S- 0 0 7 -3,-1.5 2,-0.4 -7,-0.2 -78,-0.2 -0.324 70.1-125.6 -77.5 160.1 81.1 27.7 53.8 295 113 B T E -i 216 0C 13 -80,-2.9 -78,-2.2 -2,-0.1 2,-0.3 -0.878 25.2-144.6-104.0 137.3 78.6 25.0 53.2 296 114 B L E +ij 217 323C 3 26,-1.7 28,-3.0 -2,-0.4 29,-0.5 -0.710 18.3 178.4-103.8 157.2 75.1 26.1 52.0 297 115 B I E -i 218 0C 0 -80,-1.8 -78,-2.2 -2,-0.3 2,-0.3 -0.969 8.4-171.3-150.1 149.6 71.7 24.6 52.8 298 116 B A E +ij 219 326C 0 27,-1.8 29,-2.0 -2,-0.3 2,-0.3 -0.910 8.9 176.5-142.7 171.7 68.2 25.8 51.7 299 117 B G E -ij 220 327C 0 -80,-1.4 -78,-1.6 -2,-0.3 2,-0.3 -0.980 5.3-165.9-164.9 171.5 64.4 25.3 52.1 300 118 B G E -ij 221 328C 0 27,-1.6 29,-2.8 -2,-0.3 2,-0.4 -0.959 9.0-151.9-169.2 148.2 61.0 26.5 51.1 301 119 B Y E > - j 0 329C 15 -80,-1.7 3,-2.1 -2,-0.3 29,-0.2 -0.988 65.5 -36.5-128.2 136.2 57.3 26.4 51.9 302 120 B S T >> S+ 0 0 14 27,-2.4 3,-1.8 -2,-0.4 4,-1.4 -0.337 138.8 4.8 53.8-124.7 54.3 26.8 49.5 303 121 B Q H 3> S+ 0 0 1 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.866 132.3 63.0 -55.9 -32.7 55.2 29.4 46.9 304 122 B G H <> S+ 0 0 0 -3,-2.1 4,-2.2 -82,-0.5 -1,-0.3 0.748 96.7 54.9 -63.9 -26.6 58.7 29.4 48.5 305 123 B A H <> S+ 0 0 0 -3,-1.8 4,-2.7 24,-0.3 -1,-0.2 0.954 110.2 46.2 -70.6 -47.3 59.3 25.8 47.6 306 124 B A H X S+ 0 0 3 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.933 113.1 50.9 -56.6 -49.2 58.6 26.5 44.0 307 125 B L H X S+ 0 0 0 -4,-2.7 4,-2.5 -36,-0.3 -1,-0.2 0.913 110.6 47.8 -54.3 -50.5 60.9 29.6 44.2 308 126 B A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.912 111.9 50.7 -59.5 -44.5 63.7 27.6 45.8 309 127 B A H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.939 111.7 46.7 -58.2 -51.4 63.3 24.9 43.1 310 128 B A H X S+ 0 0 5 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.916 113.8 48.2 -58.9 -44.5 63.5 27.4 40.3 311 129 B S H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.903 114.0 45.8 -64.0 -44.2 66.5 29.2 41.8 312 130 B I H < S+ 0 0 0 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.849 110.0 54.3 -69.7 -32.7 68.4 26.0 42.3 313 131 B E H < S+ 0 0 60 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.877 115.7 40.3 -68.6 -33.7 67.5 24.7 38.9 314 132 B D H < S+ 0 0 78 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.758 91.0 106.0 -85.3 -30.6 69.0 28.0 37.4 315 133 B L S < S- 0 0 11 -4,-2.1 2,-0.4 -5,-0.1 -3,-0.0 0.022 80.2 -98.9 -47.1 158.2 72.1 28.4 39.7 316 134 B D >> - 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0 0 0 21,-0.3 3,-1.4 -3,-0.2 4,-0.2 -0.357 13.2-162.5 -58.7 109.2 55.7 21.6 47.1 332 150 B T T 3 S+ 0 0 8 -30,-0.6 3,-0.3 -2,-0.4 30,-0.3 0.847 91.4 40.9 -63.8 -38.1 53.6 23.4 44.4 333 151 B K T 3> S+ 0 0 44 1,-0.2 4,-2.9 2,-0.1 6,-0.3 -0.027 79.9 123.3-100.9 31.6 55.4 21.8 41.5 334 152 B N T <4>S+ 0 0 36 -3,-1.4 5,-3.3 25,-0.5 6,-0.2 0.908 82.2 30.9 -57.9 -49.9 55.6 18.4 43.1 335 153 B L T >45S+ 0 0 77 -3,-0.3 3,-1.2 24,-0.2 -1,-0.2 0.891 119.4 55.2 -77.9 -38.7 53.8 16.5 40.4 336 154 B Q T 345S+ 0 0 86 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.1 0.893 117.6 34.3 -60.1 -42.9 55.0 18.8 37.6 337 155 B N T ><5S- 0 0 50 -4,-2.9 3,-1.2 3,-0.1 -1,-0.3 0.188 112.3-118.0 -97.6 14.1 58.7 18.3 38.5 338 156 B R T < 5 - 0 0 185 -3,-1.2 -3,-0.2 1,-0.3 -4,-0.1 0.866 69.8 -56.5 49.9 45.4 58.1 14.7 39.6 339 157 B G T 3 -L 344 0D 1 3,-0.5 3,-2.1 -2,-0.2 -31,-0.1 -0.993 44.0-110.7-122.2 116.3 64.6 19.9 41.7 342 160 B P T 3 S+ 0 0 36 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.198 99.4 6.3 -49.6 129.1 65.9 20.2 38.2 343 161 B N T 3 S+ 0 0 108 1,-0.2 -3,-0.0 -29,-0.0 0, 0.0 0.627 107.9 109.2 70.7 16.5 69.7 19.8 38.0 344 162 B Y B < S-L 341 0D 3 -3,-2.1 -3,-0.5 -23,-0.0 -1,-0.2 -0.989 76.4-106.3-128.8 129.4 69.9 18.9 41.7 345 163 B P > - 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