==== 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 06-JUL-01 1JJI . COMPND 2 MOLECULE: CARBOXYLESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR G.DE SIMONE,V.MENCHISE,G.MANCO,L.MANDRICH,N.SORRENTINO,D.LAN . 1244 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 946 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 142 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 6.1 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 . 4 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 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 108 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 412 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.3 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 5 2 0 0 0 0 10 0 4 1 11 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 6 2 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 135 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 151.6 29.3 86.5 71.3 2 2 A L - 0 0 31 1,-1.6 205,-0.0 2,-0.2 204,-0.0 -0.068 360.0 -18.5-131.2-126.9 31.5 87.8 68.4 3 3 A D S S- 0 0 67 -2,-0.1 -1,-1.6 1,-0.1 3,-0.2 -0.214 94.7-107.8 -66.7-168.5 34.4 85.8 67.4 4 4 A M S S+ 0 0 118 1,-0.2 2,-3.1 -3,-0.1 -2,-0.2 0.994 95.1 66.7 -96.1 -62.5 34.9 83.7 70.5 5 5 A P + 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.232 64.9 155.3 -56.9 60.3 37.8 84.3 72.9 6 6 A I - 0 0 9 -2,-3.1 277,-0.2 -3,-0.2 5,-0.1 -0.712 56.7 -90.3 -92.2 138.3 36.6 87.8 74.1 7 7 A D >> - 0 0 14 275,-2.5 3,-1.8 -2,-0.3 4,-0.5 -0.198 36.7-123.8 -48.1 130.9 37.8 89.0 77.5 8 8 A P H 3> S+ 0 0 44 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.676 102.6 77.4 -54.2 -17.2 35.1 87.9 80.1 9 9 A V H 3> S+ 0 0 8 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.841 88.4 57.4 -62.8 -33.4 34.6 91.5 81.2 10 10 A Y H <4 S+ 0 0 3 -3,-1.8 3,-0.3 2,-0.2 4,-0.3 0.913 103.6 51.0 -64.0 -44.3 32.5 92.2 78.1 11 11 A Y H >< S+ 0 0 78 -4,-0.5 3,-0.7 1,-0.3 4,-0.2 0.824 110.7 50.6 -62.3 -31.6 30.0 89.4 78.9 12 12 A Q H 3< S+ 0 0 146 -4,-1.3 3,-0.3 1,-0.2 -1,-0.3 0.775 109.7 50.9 -74.5 -24.6 29.7 90.9 82.3 13 13 A L T 3X S+ 0 0 33 -4,-1.2 4,-2.4 -3,-0.3 5,-0.3 0.328 76.4 111.1 -94.2 6.1 29.1 94.3 80.7 14 14 A A H <> S+ 0 0 40 -3,-0.7 4,-2.4 -4,-0.3 5,-0.2 0.913 79.2 45.5 -45.2 -57.7 26.3 93.0 78.4 15 15 A E H > S+ 0 0 164 -3,-0.3 4,-1.6 -4,-0.2 -1,-0.2 0.878 112.5 53.0 -54.9 -44.2 23.5 94.9 80.2 16 16 A Y H > S+ 0 0 60 -4,-0.2 4,-0.6 2,-0.2 3,-0.5 0.963 111.0 42.9 -57.0 -58.7 25.6 98.1 80.3 17 17 A F H >< S+ 0 0 9 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.904 115.8 49.4 -58.3 -41.8 26.4 98.2 76.6 18 18 A D H 3< S+ 0 0 121 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.762 107.7 55.7 -70.6 -23.3 22.8 97.3 75.6 19 19 A S H 3< S+ 0 0 84 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.505 84.1 107.1 -86.4 -6.2 21.4 100.0 78.0 20 20 A L S << S- 0 0 16 -3,-1.0 2,-0.1 -4,-0.6 16,-0.1 -0.486 82.9 -99.7 -75.2 144.2 23.4 102.8 76.3 21 21 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.392 37.8-138.4 -63.3 135.9 21.5 105.3 74.1 22 22 A K > - 0 0 76 1,-0.1 3,-1.5 -4,-0.1 14,-0.0 -0.688 13.0-124.2 -95.5 151.7 21.8 104.5 70.4 23 23 A F G > S+ 0 0 32 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.907 110.0 56.5 -61.1 -42.6 22.3 107.2 67.8 24 24 A D G 3 S+ 0 0 104 1,-0.3 -1,-0.3 3,-0.0 190,-0.0 0.286 90.0 76.4 -75.8 12.8 19.3 106.1 65.8 25 25 A Q G < S+ 0 0 119 -3,-1.5 2,-0.3 0, 0.0 -1,-0.3 0.194 93.9 56.1-104.1 12.9 17.0 106.6 68.8 26 26 A F S < S- 0 0 69 -3,-1.2 3,-0.1 1,-0.1 4,-0.0 -0.929 79.3-128.3-137.6 162.4 17.1 110.3 68.4 27 27 A S S S+ 0 0 122 -2,-0.3 2,-0.3 1,-0.1 3,-0.1 0.685 89.7 26.3 -87.9 -19.2 16.2 112.7 65.6 28 28 A S S > S- 0 0 36 1,-0.1 4,-2.0 -5,-0.1 5,-0.2 -0.972 74.6-118.0-141.7 159.3 19.4 114.7 65.6 29 29 A A H > S+ 0 0 5 -2,-0.3 4,-3.6 1,-0.2 5,-0.2 0.897 111.8 61.3 -59.3 -40.8 23.1 114.2 66.5 30 30 A R H > S+ 0 0 135 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 107.2 42.1 -53.2 -50.2 22.8 117.0 69.1 31 31 A E H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.880 115.6 50.0 -66.5 -41.2 20.1 115.1 71.2 32 32 A Y H X S+ 0 0 12 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.956 111.4 50.2 -59.5 -49.0 22.0 111.9 70.8 33 33 A R H X S+ 0 0 34 -4,-3.6 4,-3.0 1,-0.2 5,-0.3 0.912 109.4 49.7 -53.8 -52.4 25.2 113.6 71.9 34 34 A E H X S+ 0 0 106 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.848 113.1 47.4 -58.4 -39.0 23.5 115.2 75.0 35 35 A A H X S+ 0 0 25 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.960 118.3 38.3 -69.6 -49.9 22.1 111.8 76.1 36 36 A I H X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.857 114.9 52.2 -71.8 -35.4 25.3 109.8 75.6 37 37 A N H X S+ 0 0 15 -4,-3.0 4,-2.9 -5,-0.3 5,-0.2 0.843 102.7 60.8 -68.8 -33.2 27.8 112.4 77.0 38 38 A R H X S+ 0 0 164 -4,-1.2 4,-1.6 -5,-0.3 -1,-0.2 0.926 108.8 42.7 -57.2 -46.9 25.7 112.8 80.1 39 39 A I H X S+ 0 0 68 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.955 115.8 47.4 -65.7 -52.7 26.3 109.1 81.0 40 40 A Y H X S+ 0 0 53 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.895 112.7 49.9 -57.9 -42.9 30.0 109.1 80.0 41 41 A E H X S+ 0 0 42 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.845 107.6 51.6 -69.1 -36.0 30.7 112.3 82.0 42 42 A E H X S+ 0 0 96 -4,-1.6 4,-1.8 -5,-0.2 3,-0.2 0.973 110.1 50.0 -65.7 -49.2 29.0 111.2 85.2 43 43 A R H X S+ 0 0 65 -4,-2.1 4,-2.7 1,-0.3 3,-0.4 0.931 110.1 51.1 -51.3 -48.4 31.1 108.0 85.2 44 44 A N H X S+ 0 0 10 -4,-2.2 4,-3.1 1,-0.2 -1,-0.3 0.892 103.3 58.5 -58.6 -38.5 34.2 110.1 84.6 45 45 A R H X S+ 0 0 137 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.913 110.0 44.7 -58.2 -37.7 33.2 112.3 87.6 46 46 A Q H >< S+ 0 0 87 -4,-1.8 3,-0.9 -3,-0.4 4,-0.4 0.953 115.4 46.1 -69.4 -49.1 33.3 109.1 89.7 47 47 A L H >< S+ 0 0 25 -4,-2.7 3,-2.3 1,-0.2 -2,-0.2 0.887 102.0 63.4 -62.8 -41.8 36.6 107.8 88.2 48 48 A S H >< S+ 0 0 13 -4,-3.1 3,-1.8 1,-0.3 -1,-0.2 0.744 86.8 74.0 -58.0 -23.1 38.5 111.1 88.5 49 49 A Q T << S+ 0 0 116 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.849 101.5 43.5 -56.9 -32.3 38.1 110.9 92.2 50 50 A H T < S+ 0 0 135 -3,-2.3 2,-0.3 -4,-0.4 -1,-0.3 0.300 103.3 69.2 -97.3 6.8 40.7 108.2 92.1 51 51 A E S < S- 0 0 5 -3,-1.8 2,-0.2 -4,-0.2 -1,-0.2 -0.677 71.3-170.7-125.3 76.7 43.0 110.0 89.6 52 52 A R - 0 0 204 -2,-0.3 2,-0.4 -3,-0.1 3,-0.1 -0.494 3.5-174.5 -72.7 132.1 44.5 112.9 91.6 53 53 A V - 0 0 19 -2,-0.2 3,-0.1 1,-0.1 22,-0.1 -0.995 30.4-130.2-131.3 127.6 46.5 115.5 89.7 54 54 A E S S+ 0 0 155 -2,-0.4 2,-0.3 1,-0.2 21,-0.2 0.859 91.8 4.4 -40.2 -52.5 48.4 118.4 91.2 55 55 A R E -A 74 0A 97 19,-1.2 19,-3.4 -3,-0.1 2,-0.5 -0.989 54.9-176.7-147.6 136.4 46.7 120.9 88.8 56 56 A V E -A 73 0A 46 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.973 18.6-173.1-129.2 110.9 44.1 120.8 86.1 57 57 A E E -A 72 0A 58 15,-2.5 15,-3.1 -2,-0.5 2,-0.6 -0.920 18.3-149.3-116.8 130.5 43.6 124.0 84.3 58 58 A D E +A 71 0A 68 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.859 26.3 179.8 -94.9 121.8 41.0 124.9 81.7 59 59 A R E -A 70 0A 53 11,-2.7 11,-2.9 -2,-0.6 2,-0.5 -0.954 23.2-141.4-124.2 146.1 42.4 127.5 79.2 60 60 A T E -A 69 0A 94 -2,-0.4 9,-0.2 9,-0.2 2,-0.2 -0.932 28.0-178.2-108.0 123.1 40.8 129.2 76.3 61 61 A I E -A 68 0A 7 7,-3.1 7,-1.9 -2,-0.5 2,-0.8 -0.663 30.4 -99.3-117.8 174.2 43.1 129.8 73.3 62 62 A K E +A 67 0A 172 -2,-0.2 2,-0.2 5,-0.2 5,-0.2 -0.814 40.8 170.6 -99.6 105.9 43.0 131.4 69.8 63 63 A G E > -A 66 0A 11 3,-2.3 3,-1.9 -2,-0.8 69,-0.1 -0.662 50.5-105.1-105.2 165.7 42.5 129.0 66.9 64 64 A R T 3 S+ 0 0 142 1,-0.3 3,-0.1 67,-0.2 -1,-0.1 0.840 124.1 53.3 -57.9 -29.2 41.8 130.0 63.3 65 65 A N T 3 S- 0 0 69 1,-0.3 2,-0.3 63,-0.1 -1,-0.3 0.514 122.9-101.1 -82.9 -5.1 38.1 128.9 64.0 66 66 A G E < S+A 63 0A 32 -3,-1.9 -3,-2.3 2,-0.0 -1,-0.3 -0.851 79.8 12.2 119.3-158.6 37.8 131.1 67.1 67 67 A D E -A 62 0A 93 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.170 57.6-171.9 -53.8 142.2 38.0 130.1 70.8 68 68 A I E -A 61 0A 1 -7,-1.9 -7,-3.1 50,-0.1 2,-0.3 -0.963 12.3-147.5-137.6 119.0 39.3 126.6 71.6 69 69 A R E -AB 60 117A 58 48,-0.5 48,-2.4 -2,-0.4 2,-0.3 -0.687 18.2-176.3 -85.0 138.2 39.2 125.3 75.2 70 70 A V E -AB 59 116A 0 -11,-2.9 -11,-2.7 -2,-0.3 2,-0.6 -0.977 19.2-139.8-130.4 147.6 42.0 123.0 76.3 71 71 A R E -AB 58 115A 37 44,-2.7 44,-2.7 -2,-0.3 2,-0.7 -0.950 13.7-157.1-110.4 120.8 42.4 121.2 79.7 72 72 A V E -AB 57 114A 0 -15,-3.1 -15,-2.5 -2,-0.6 2,-0.8 -0.867 6.1-170.3-100.2 109.1 46.0 121.1 81.1 73 73 A Y E +AB 56 113A 0 40,-3.1 40,-2.0 -2,-0.7 2,-0.6 -0.887 11.8 179.6 -98.2 108.2 46.6 118.2 83.5 74 74 A Q E +AB 55 112A 8 -19,-3.4 -19,-1.2 -2,-0.8 38,-0.2 -0.914 21.3 168.7-120.1 111.0 50.0 118.9 85.0 75 75 A Q S S+ 0 0 34 36,-2.8 -1,-0.2 -2,-0.6 37,-0.1 0.821 80.9 10.4 -83.2 -32.4 51.4 116.5 87.6 76 76 A K S S- 0 0 120 35,-0.6 3,-0.4 -21,-0.1 -1,-0.3 -0.986 79.8-119.8-149.0 136.3 54.8 118.1 87.5 77 77 A P S S+ 0 0 57 0, 0.0 72,-0.2 0, 0.0 71,-0.1 -0.308 92.1 29.0 -73.1 156.7 56.2 121.3 85.9 78 78 A D S S+ 0 0 106 70,-2.7 71,-0.3 1,-0.2 70,-0.1 0.891 95.5 130.5 61.0 43.0 58.9 121.3 83.2 79 79 A S E -c 149 0A 9 69,-1.0 71,-2.7 -3,-0.4 -1,-0.2 -0.717 65.0 -80.3-122.3 170.0 57.9 117.8 82.0 80 80 A P E - 0 0 18 0, 0.0 32,-1.9 0, 0.0 2,-0.4 -0.262 47.8-141.7 -63.5 159.0 57.1 116.1 78.7 81 81 A V E -cd 154 112A 0 72,-2.6 74,-3.1 69,-0.3 2,-0.5 -0.974 14.5-158.3-129.8 145.6 53.6 116.7 77.2 82 82 A L E -cd 155 113A 0 30,-1.9 32,-2.6 -2,-0.4 2,-0.7 -0.975 13.2-151.9-117.3 116.6 51.0 114.7 75.4 83 83 A V E -cd 156 114A 0 72,-3.6 74,-2.0 -2,-0.5 2,-0.4 -0.836 25.5-160.8 -87.1 123.2 48.5 116.7 73.4 84 84 A Y E -cd 157 115A 1 30,-2.5 32,-2.3 -2,-0.7 2,-0.5 -0.845 20.0-162.7-115.8 142.2 45.4 114.5 73.4 85 85 A Y E -c 158 0A 0 72,-1.9 74,-1.0 -2,-0.4 81,-0.2 -0.964 24.1-131.7-123.4 116.3 42.3 114.4 71.2 86 86 A H - 0 0 0 -2,-0.5 4,-0.2 30,-0.5 79,-0.1 -0.151 17.8-122.6 -64.5 154.8 39.3 112.5 72.5 87 87 A G + 0 0 2 74,-0.2 73,-0.2 7,-0.1 -1,-0.1 0.017 53.8 125.6 -81.3-167.5 37.3 109.9 70.5 88 88 A G S >> S- 0 0 11 3,-0.1 4,-3.3 5,-0.1 3,-1.9 0.642 87.9 -81.4 123.3 24.6 33.6 110.0 69.6 89 89 A G T 34 S- 0 0 10 1,-0.3 133,-0.1 2,-0.2 -2,-0.1 0.611 78.1 -73.6 61.2 17.9 33.2 109.7 65.8 90 90 A F T 34 S+ 0 0 6 2,-0.3 31,-3.0 -4,-0.2 -1,-0.3 0.432 134.7 70.1 75.2 1.4 34.0 113.5 65.4 91 91 A V T <4 S+ 0 0 0 -3,-1.9 -2,-0.2 29,-0.2 2,-0.2 0.740 95.4 25.7-117.4 -42.1 30.4 113.9 66.8 92 92 A I S < S+ 0 0 7 -4,-3.3 -2,-0.3 2,-0.0 -1,-0.1 -0.547 80.5 55.6-119.8-171.9 30.1 113.0 70.5 93 93 A C - 0 0 10 -60,-0.2 2,-0.3 -2,-0.2 -56,-0.1 0.016 53.2-158.8 73.6 175.0 32.2 112.8 73.6 94 94 A S > - 0 0 10 1,-0.1 4,-0.6 -57,-0.1 3,-0.1 -0.938 41.1 -71.3-167.9-175.1 34.3 115.6 75.2 95 95 A I T >4 S+ 0 0 0 -2,-0.3 3,-1.2 1,-0.2 7,-0.2 0.930 129.0 53.0 -61.6 -40.7 37.1 116.6 77.5 96 96 A E G >4 S+ 0 0 53 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.793 102.5 56.6 -67.4 -29.1 34.9 115.5 80.4 97 97 A S G 34 S+ 0 0 4 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.566 117.0 34.8 -80.6 -8.0 34.2 112.1 78.9 98 98 A H G S+ 0 0 14 -3,-0.7 4,-2.3 2,-0.2 5,-0.2 0.884 77.1 48.5 -62.7 -44.8 38.9 113.2 81.9 100 100 A A H > S+ 0 0 1 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.923 111.2 51.9 -63.7 -45.5 39.7 110.1 84.0 101 101 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.933 112.4 43.6 -57.2 -51.8 41.9 108.7 81.2 102 102 A C H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.888 112.6 52.8 -65.0 -39.9 44.0 111.9 80.8 103 103 A R H X S+ 0 0 51 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.945 109.9 49.6 -57.6 -47.0 44.3 112.4 84.6 104 104 A R H X S+ 0 0 23 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.883 110.7 49.1 -61.0 -42.4 45.6 108.8 84.9 105 105 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 6,-0.2 0.946 115.6 43.1 -62.8 -48.0 48.2 109.4 82.1 106 106 A A H X>S+ 0 0 0 -4,-2.6 5,-1.5 2,-0.2 4,-1.1 0.915 116.9 47.8 -64.6 -43.4 49.4 112.6 83.6 107 107 A R H ><5S+ 0 0 54 -4,-3.3 3,-0.8 -5,-0.2 -2,-0.2 0.967 113.0 45.8 -63.1 -54.2 49.4 111.1 87.2 108 108 A L H 3<5S+ 0 0 11 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.886 120.2 40.4 -57.2 -40.8 51.2 107.9 86.3 109 109 A S H 3<5S- 0 0 6 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.552 98.7-132.6 -86.6 -8.8 53.9 109.7 84.2 110 110 A N T <<5S+ 0 0 71 -4,-1.1 -3,-0.2 -3,-0.8 -4,-0.1 0.884 75.5 96.1 57.9 37.6 54.3 112.7 86.5 111 111 A S S - 0 0 27 -3,-0.1 4,-2.1 -29,-0.1 -29,-0.2 -0.703 22.4 -90.0-101.2 149.7 32.2 118.7 66.7 121 121 A A T 4 S+ 0 0 1 -31,-3.0 101,-0.2 -2,-0.3 100,-0.1 -0.588 97.7 30.3 -89.2 159.2 30.2 117.7 63.6 122 122 A P T 4 S+ 0 0 38 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 -0.995 124.5 51.8 -77.7 -10.8 27.6 118.1 62.2 123 123 A E T 4 S+ 0 0 93 1,-0.3 2,-0.5 -32,-0.1 -2,-0.3 0.892 127.1 25.0 -48.2 -47.0 27.7 121.6 63.7 124 124 A H S < S- 0 0 82 -4,-2.1 -1,-0.3 97,-0.0 5,-0.2 -0.957 89.8-148.1-125.7 111.3 31.3 122.0 62.4 125 125 A K > - 0 0 70 -2,-0.5 3,-2.5 -3,-0.2 98,-0.2 -0.321 39.5 -44.6 -77.0 155.0 32.1 119.9 59.3 126 126 A F T 3 S+ 0 0 10 96,-3.6 98,-0.3 1,-0.3 -1,-0.2 -0.276 121.8 31.0 -47.0 141.3 35.4 118.4 58.4 127 127 A P T 3> S+ 0 0 42 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 -0.836 96.6 85.9 -99.0 27.9 38.1 119.9 58.5 128 128 A A H <> S+ 0 0 13 -3,-2.5 4,-2.3 1,-0.2 -9,-0.2 0.918 94.2 47.7 -52.4 -48.1 37.2 122.2 61.4 129 129 A A H > S+ 0 0 2 -5,-0.2 4,-2.8 1,-0.2 5,-0.2 0.918 108.3 54.9 -60.3 -44.1 38.2 119.6 64.1 130 130 A V H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.934 111.2 45.2 -55.4 -46.2 41.6 119.0 62.3 131 131 A Y H X S+ 0 0 68 -4,-2.1 4,-2.9 2,-0.2 -67,-0.2 0.851 110.7 52.8 -67.6 -37.5 42.4 122.7 62.4 132 132 A D H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.940 112.7 45.5 -62.3 -44.0 41.3 123.1 66.1 133 133 A C H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.908 115.3 46.1 -67.0 -41.2 43.6 120.2 67.0 134 134 A Y H X S+ 0 0 6 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.944 113.2 49.4 -65.7 -46.9 46.5 121.5 64.9 135 135 A D H X S+ 0 0 22 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.932 112.7 47.2 -59.8 -45.2 46.1 125.0 66.3 136 136 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.894 112.8 50.1 -62.7 -39.6 46.0 123.8 69.9 137 137 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.928 111.8 46.6 -66.1 -44.0 49.0 121.6 69.3 138 138 A K H X S+ 0 0 54 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.899 108.8 56.6 -64.9 -37.9 51.1 124.5 67.8 139 139 A W H X S+ 0 0 41 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.2 0.838 106.2 50.7 -61.4 -33.5 49.9 126.7 70.6 140 140 A V H < S+ 0 0 0 -4,-1.4 3,-0.4 -3,-0.2 -1,-0.2 0.948 111.2 47.3 -69.5 -45.5 51.4 124.2 73.0 141 141 A A H >< S+ 0 0 22 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.898 115.1 46.3 -60.9 -39.9 54.7 124.2 71.1 142 142 A E H 3< S+ 0 0 132 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.694 114.4 46.6 -79.7 -16.8 54.8 128.0 71.0 143 143 A N T 3X + 0 0 35 -4,-1.3 4,-2.6 -3,-0.4 5,-0.3 -0.002 69.5 133.2-113.6 29.2 53.9 128.5 74.7 144 144 A A H <>>S+ 0 0 13 -3,-0.9 5,-2.0 1,-0.2 4,-1.5 0.900 74.4 44.5 -44.0 -58.1 56.3 125.9 76.2 145 145 A E H 45S+ 0 0 187 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.889 113.5 49.7 -58.6 -44.6 57.7 128.3 78.9 146 146 A E H 45S+ 0 0 109 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.922 115.7 42.3 -61.8 -42.2 54.3 129.6 79.9 147 147 A L H <5S- 0 0 3 -4,-2.6 -1,-0.2 -7,-0.2 -2,-0.2 0.656 107.7-128.0 -78.2 -16.0 52.8 126.0 80.2 148 148 A R T <5 + 0 0 127 -4,-1.5 -70,-2.7 -5,-0.3 -69,-1.0 0.926 60.5 138.2 68.0 44.4 56.0 124.8 81.9 149 149 A I E < -c 79 0A 7 -5,-2.0 -1,-0.2 -71,-0.3 -2,-0.1 -0.890 63.8-101.8-120.9 156.0 56.4 121.9 79.5 150 150 A D E > - 0 0 45 -71,-2.7 3,-2.2 -2,-0.3 -69,-0.3 -0.642 26.2-159.8 -76.4 105.7 59.5 120.5 77.9 151 151 A P E 3 S+ 0 0 75 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.684 91.3 59.2 -60.4 -17.8 59.5 121.8 74.2 152 152 A S E 3 S+ 0 0 58 1,-0.2 2,-0.2 29,-0.0 -2,-0.1 0.576 105.0 51.6 -88.3 -6.9 61.8 119.0 73.2 153 153 A K E < + 0 0 54 -3,-2.2 -72,-2.6 -74,-0.1 2,-0.5 -0.559 69.1 145.3-128.3 67.4 59.3 116.3 74.4 154 154 A I E -ce 81 181A 1 26,-0.6 28,-3.2 -3,-0.4 29,-0.6 -0.936 21.7-178.4-107.6 123.1 55.9 117.1 72.8 155 155 A F E -ce 82 183A 15 -74,-3.1 -72,-3.6 -2,-0.5 2,-0.3 -0.820 12.6-153.3-116.8 155.1 53.7 114.1 71.8 156 156 A V E +ce 83 184A 0 27,-2.3 29,-2.3 -2,-0.3 2,-0.3 -0.960 25.4 146.8-127.3 148.7 50.3 113.9 70.2 157 157 A G E +ce 84 185A 0 -74,-2.0 -72,-1.9 -2,-0.3 2,-0.3 -0.974 12.6 170.1-172.4 161.3 47.8 111.1 70.5 158 158 A G E -ce 85 186A 0 27,-1.7 29,-2.6 -2,-0.3 2,-0.4 -0.966 30.1-110.7-170.4 166.6 44.1 110.2 70.6 159 159 A D E > S- e 0 187A 6 -74,-1.0 3,-2.4 -2,-0.3 2,-0.3 -0.920 76.1 -31.0-112.2 136.0 41.6 107.3 70.5 160 160 A S T 3> S+ 0 0 20 27,-2.9 4,-1.9 -2,-0.4 30,-1.1 -0.399 143.9 8.6 63.8-118.0 39.3 106.5 67.6 161 161 A A H 3> S+ 0 0 2 -2,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.831 134.3 59.3 -63.1 -27.0 38.4 109.7 65.8 162 162 A G H <> S+ 0 0 0 -3,-2.4 4,-2.2 2,-0.2 -2,-0.3 0.829 101.1 50.5 -68.7 -33.8 41.1 111.2 68.1 163 163 A G H > S+ 0 0 0 -3,-0.4 4,-2.1 24,-0.3 -1,-0.2 0.873 109.8 52.2 -70.8 -37.3 43.7 108.9 66.7 164 164 A N H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.949 109.8 49.2 -60.2 -45.3 42.7 110.0 63.3 165 165 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.876 108.1 52.8 -64.1 -36.4 43.1 113.6 64.5 166 166 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.909 111.4 46.9 -65.0 -39.5 46.5 112.9 65.9 167 167 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.948 113.0 48.5 -65.0 -46.8 47.6 111.5 62.6 168 168 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.902 111.3 50.8 -60.0 -43.0 46.1 114.5 60.6 169 169 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.932 108.8 50.6 -61.5 -47.1 47.8 116.9 63.0 170 170 A S H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.894 112.9 46.8 -57.1 -43.4 51.2 115.2 62.5 171 171 A I H X S+ 0 0 2 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.944 111.0 50.8 -63.4 -50.3 50.7 115.4 58.7 172 172 A M H X S+ 0 0 14 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.901 112.1 48.0 -56.7 -40.8 49.7 119.0 58.9 173 173 A A H <>S+ 0 0 4 -4,-2.9 5,-2.8 2,-0.2 -1,-0.2 0.919 112.5 48.4 -65.2 -45.8 52.8 119.8 61.0 174 174 A R H ><5S+ 0 0 40 -4,-2.3 3,-2.4 1,-0.2 -2,-0.2 0.953 109.7 52.0 -56.7 -53.6 55.0 117.9 58.5 175 175 A D H 3<5S+ 0 0 104 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.829 109.4 51.4 -53.7 -33.9 53.5 119.7 55.5 176 176 A S T 3<5S- 0 0 67 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.351 116.9-114.6 -86.3 6.0 54.2 123.0 57.3 177 177 A G T < 5 + 0 0 67 -3,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.687 67.7 146.3 69.9 15.2 57.8 122.1 57.9 178 178 A E < - 0 0 57 -5,-2.8 -1,-0.2 -6,-0.2 3,-0.1 -0.649 27.4-177.9 -85.4 142.6 57.3 122.0 61.7 179 179 A D + 0 0 137 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.1 0.190 47.8 108.3-127.5 20.9 59.3 119.4 63.6 180 180 A F + 0 0 22 -7,-0.1 2,-0.6 -27,-0.1 -26,-0.6 0.640 55.5 91.8 -75.0 -15.3 58.1 119.8 67.3 181 181 A I E +e 154 0A 13 1,-0.1 -26,-0.2 -3,-0.1 3,-0.1 -0.713 48.2 178.3 -84.2 120.2 56.1 116.5 67.4 182 182 A K E + 0 0 88 -28,-3.2 2,-0.3 -2,-0.6 -27,-0.2 0.627 64.5 9.3 -96.9 -13.4 58.3 113.7 68.7 183 183 A H E -e 155 0A 21 -29,-0.6 -27,-2.3 62,-0.2 2,-0.4 -0.964 57.0-148.0-162.8 143.1 55.8 110.9 68.7 184 184 A Q E -ef 156 247A 0 62,-2.7 64,-2.3 -2,-0.3 2,-0.6 -0.981 11.4-161.6-118.1 132.1 52.3 110.1 67.6 185 185 A I E -ef 157 248A 1 -29,-2.3 -27,-1.7 -2,-0.4 2,-0.7 -0.941 7.1-171.7-115.3 106.9 50.1 107.7 69.6 186 186 A L E -ef 158 249A 0 62,-2.5 64,-2.4 -2,-0.6 2,-0.7 -0.885 5.5-163.8-106.2 109.8 47.2 106.3 67.7 187 187 A I E S-ef 159 250A 0 -29,-2.6 -27,-2.9 -2,-0.7 -24,-0.3 -0.841 73.3 -40.5 -97.0 111.9 44.7 104.3 69.7 188 188 A Y S S- 0 0 2 62,-4.6 -28,-0.2 -2,-0.7 -1,-0.2 0.902 90.2-171.4 29.8 66.7 42.5 102.2 67.4 189 189 A P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 72,-0.2 -0.388 28.8-126.8 -77.7 160.5 42.2 105.1 64.9 190 190 A V + 0 0 16 -30,-1.1 46,-0.2 1,-0.1 3,-0.1 -0.945 37.2 162.3-102.9 125.8 40.0 105.4 61.9 191 191 A V + 0 0 0 -2,-0.5 46,-2.0 1,-0.2 2,-0.3 0.271 56.6 54.2-126.9 8.2 42.4 106.3 59.0 192 192 A N + 0 0 7 43,-0.2 -1,-0.2 44,-0.1 43,-0.1 -0.972 37.4 166.2-151.5 127.2 40.2 105.4 56.0 193 193 A F S S+ 0 0 42 36,-0.4 37,-0.1 -2,-0.3 36,-0.1 0.330 80.1 49.2-118.7 5.0 36.8 106.4 54.9 194 194 A V S S+ 0 0 39 35,-0.1 36,-0.1 1,-0.1 -2,-0.1 0.823 97.1 52.8-114.0 -44.0 36.9 105.2 51.3 195 195 A A S S- 0 0 5 1,-0.1 2,-0.2 743,-0.0 -1,-0.1 -0.611 70.9-126.4 -98.6 155.4 38.1 101.5 51.0 196 196 A P - 0 0 47 0, 0.0 742,-2.1 0, 0.0 -1,-0.1 -0.515 19.8-164.4 -93.7 166.7 36.9 98.4 52.7 197 197 A T > - 0 0 4 740,-0.2 4,-2.1 -2,-0.2 3,-0.3 -0.951 35.6-105.4-143.0 160.2 39.0 95.9 54.7 198 198 A P H > S+ 0 0 89 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.883 121.5 49.7 -57.0 -40.5 38.3 92.3 55.9 199 199 A S H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 58,-0.1 0.839 106.5 56.0 -66.8 -34.5 37.9 93.4 59.5 200 200 A L H 4 S+ 0 0 23 -3,-0.3 4,-0.2 2,-0.2 -1,-0.2 0.951 115.8 37.5 -61.1 -47.4 35.4 96.2 58.4 201 201 A L H >< S+ 0 0 129 -4,-2.1 3,-1.0 2,-0.2 4,-0.3 0.951 116.9 51.6 -68.8 -49.1 33.3 93.5 56.7 202 202 A E H 3< S+ 0 0 94 -4,-3.4 3,-0.3 1,-0.3 -2,-0.2 0.871 124.0 27.0 -59.2 -41.0 33.8 90.8 59.4 203 203 A F T 3< S+ 0 0 4 -4,-2.7 4,-0.4 -5,-0.2 -1,-0.3 0.194 84.6 115.0-107.5 17.1 32.8 93.1 62.3 204 204 A G S < S+ 0 0 6 -3,-1.0 8,-4.2 -4,-0.2 9,-0.4 0.750 89.8 13.2 -56.3 -22.7 30.6 95.4 60.3 205 205 A E S S+ 0 0 139 -4,-0.3 3,-0.1 -3,-0.3 -1,-0.1 -0.984 107.8 47.9-150.7 155.9 27.8 94.0 62.5 206 206 A G S S+ 0 0 64 -2,-0.3 2,-0.3 1,-0.3 5,-0.1 0.261 80.5 102.4 99.8 -14.6 27.3 92.0 65.7 207 207 A L - 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0 0 37 1,-0.2 2,-2.0 0, 0.0 0, 0.0 0.105 69.5-123.0 -32.2 134.8 54.6 89.5 54.4 317 5 B P + 0 0 38 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.402 54.5 160.8 -83.3 61.5 54.2 92.9 56.0 318 6 B I - 0 0 8 -2,-2.0 277,-0.2 1,-0.1 5,-0.1 -0.510 54.5 -86.9 -81.0 149.4 57.3 92.2 58.2 319 7 B D > - 0 0 11 275,-2.8 3,-2.9 1,-0.2 4,-0.3 -0.436 37.6-128.3 -60.4 123.9 59.2 95.0 59.9 320 8 B P T >> S+ 0 0 36 0, 0.0 3,-1.5 0, 0.0 4,-0.8 0.745 104.2 74.2 -43.9 -28.4 61.7 96.3 57.2 321 9 B V H >> S+ 0 0 11 1,-0.3 4,-1.2 2,-0.2 3,-0.8 0.856 84.5 65.2 -58.2 -32.5 64.4 96.0 59.9 322 10 B Y H <> S+ 0 0 0 -3,-2.9 4,-2.2 1,-0.2 -1,-0.3 0.732 92.9 60.0 -62.9 -23.9 64.3 92.2 59.5 323 11 B Y H <4 S+ 0 0 31 -3,-1.5 4,-0.5 -4,-0.3 -1,-0.2 0.842 107.8 45.7 -71.7 -32.1 65.6 92.4 55.9 324 12 B Q H << S+ 0 0 143 -4,-0.8 4,-0.4 -3,-0.8 -2,-0.2 0.731 114.3 47.5 -81.4 -24.6 68.7 94.0 57.3 325 13 B L H >X S+ 0 0 20 -4,-1.2 4,-1.4 1,-0.2 3,-1.1 0.827 88.3 90.3 -81.6 -34.0 69.0 91.5 60.1 326 14 B A H 3X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.3 5,-0.2 0.765 86.7 48.8 -26.1 -59.0 68.5 88.6 57.7 327 15 B E H 3> S+ 0 0 71 -4,-0.5 4,-1.6 1,-0.2 -1,-0.3 0.944 110.2 53.7 -52.6 -49.5 72.2 88.3 57.0 328 16 B Y H <> S+ 0 0 58 -3,-1.1 4,-0.7 -4,-0.4 3,-0.3 0.898 109.9 43.1 -54.7 -52.5 72.9 88.4 60.7 329 17 B F H >< S+ 0 0 23 -4,-1.4 3,-1.0 1,-0.2 -1,-0.2 0.913 113.3 52.2 -63.3 -41.6 70.6 85.5 61.7 330 18 B D H 3< S+ 0 0 53 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.808 107.1 55.2 -64.4 -26.7 71.7 83.3 58.8 331 19 B S H 3< S+ 0 0 65 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.631 84.6 104.1 -83.0 -14.3 75.3 83.8 59.8 332 20 B L S << S- 0 0 15 -3,-1.0 16,-0.1 -4,-0.7 -3,-0.0 -0.326 86.2 -93.1 -69.1 148.3 74.9 82.6 63.4 333 21 B P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.328 42.1-134.9 -59.0 145.1 76.2 79.1 64.3 334 22 B K > - 0 0 77 1,-0.1 3,-2.0 -3,-0.1 4,-0.1 -0.809 12.6-122.9-104.3 147.5 73.5 76.5 63.9 335 23 B F G > S+ 0 0 35 -2,-0.3 3,-1.1 1,-0.3 9,-0.1 0.825 110.6 57.0 -55.9 -35.1 72.8 73.7 66.5 336 24 B D G 3 S+ 0 0 111 1,-0.2 -1,-0.3 3,-0.1 190,-0.0 0.285 87.7 76.3 -83.6 11.1 73.3 71.0 64.0 337 25 B Q G < S+ 0 0 115 -3,-2.0 2,-0.3 2,-0.0 -1,-0.2 0.350 95.8 57.0 -97.0 4.6 76.8 72.2 63.1 338 26 B F S < S- 0 0 67 -3,-1.1 3,-0.0 -4,-0.1 4,-0.0 -0.923 73.9-138.0-132.2 157.8 78.1 70.7 66.4 339 27 B S S S+ 0 0 129 -2,-0.3 2,-0.3 1,-0.0 3,-0.1 0.557 88.7 41.5 -93.8 -7.9 78.1 67.2 67.9 340 28 B S S > S- 0 0 32 1,-0.1 4,-1.7 -5,-0.1 5,-0.1 -0.969 72.1-132.0-137.4 152.5 77.2 68.4 71.4 341 29 B A H > S+ 0 0 8 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.827 108.4 65.5 -68.6 -29.5 74.9 71.0 72.9 342 30 B R H > S+ 0 0 136 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.943 105.2 39.4 -56.8 -51.8 77.9 72.0 75.0 343 31 B E H > S+ 0 0 74 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.880 114.1 52.9 -70.1 -38.5 79.9 73.2 71.9 344 32 B Y H X S+ 0 0 11 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.958 111.0 49.4 -58.7 -46.2 76.9 74.8 70.2 345 33 B R H X S+ 0 0 33 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.895 110.6 49.0 -58.1 -46.1 76.3 76.7 73.5 346 34 B E H X S+ 0 0 99 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.927 113.3 47.3 -62.8 -43.5 79.9 77.9 73.7 347 35 B A H X S+ 0 0 26 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.941 120.4 35.9 -64.5 -47.3 79.9 79.1 70.1 348 36 B I H X S+ 0 0 1 -4,-2.8 4,-2.1 -5,-0.2 3,-0.3 0.907 113.6 54.9 -76.2 -42.6 76.5 80.9 70.3 349 37 B N H X S+ 0 0 16 -4,-3.0 4,-3.0 -5,-0.3 5,-0.2 0.885 103.1 59.1 -60.4 -33.9 76.8 82.3 73.8 350 38 B R H X S+ 0 0 164 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.909 107.1 45.5 -60.6 -43.5 80.1 83.9 72.9 351 39 B I H X S+ 0 0 61 -4,-1.0 4,-2.4 -3,-0.3 5,-0.2 0.955 115.5 45.8 -66.8 -47.2 78.5 86.0 70.2 352 40 B Y H X S+ 0 0 50 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.892 112.1 51.4 -62.3 -41.4 75.5 87.0 72.3 353 41 B E H X S+ 0 0 46 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.936 111.4 47.5 -64.0 -41.3 77.7 87.9 75.3 354 42 B E H X S+ 0 0 106 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.913 111.1 49.6 -65.1 -45.7 80.0 90.1 73.2 355 43 B R H X S+ 0 0 59 -4,-2.4 4,-2.2 1,-0.2 3,-0.2 0.951 111.5 50.7 -59.0 -43.5 77.1 91.9 71.5 356 44 B N H X S+ 0 0 6 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.866 102.2 60.6 -61.5 -36.0 75.7 92.5 75.0 357 45 B R H X S+ 0 0 147 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.921 108.5 44.0 -57.2 -44.3 79.0 93.9 76.3 358 46 B Q H >< S+ 0 0 102 -4,-1.7 3,-1.0 -3,-0.2 4,-0.4 0.939 115.7 47.5 -64.8 -47.5 78.8 96.6 73.6 359 47 B L H >< S+ 0 0 27 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.883 101.7 62.1 -64.0 -41.6 75.1 97.3 74.4 360 48 B S H >< S+ 0 0 16 -4,-3.2 3,-1.8 1,-0.3 -1,-0.2 0.707 87.2 74.9 -61.3 -17.8 75.4 97.5 78.2 361 49 B Q T << S+ 0 0 117 -3,-1.0 -1,-0.3 -4,-0.5 3,-0.2 0.833 100.1 45.0 -61.1 -30.4 77.7 100.5 77.6 362 50 B H T < S+ 0 0 135 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.211 105.4 65.6 -97.2 14.3 74.6 102.4 76.9 363 51 B E < - 0 0 5 -3,-1.8 -1,-0.2 2,-0.0 2,-0.2 -0.559 69.4-177.2-135.4 69.7 72.6 101.0 79.8 364 52 B R - 0 0 203 -3,-0.2 2,-0.4 -2,-0.1 3,-0.1 -0.458 3.9-168.4 -70.2 138.0 74.3 102.2 83.0 365 53 B V - 0 0 17 -2,-0.2 22,-0.1 1,-0.1 3,-0.1 -0.995 27.4-127.3-129.4 133.8 72.9 101.0 86.3 366 54 B E S S+ 0 0 160 -2,-0.4 2,-0.4 1,-0.2 21,-0.2 0.894 93.2 9.6 -43.2 -53.2 73.8 102.5 89.7 367 55 B R E +I 386 0A 95 19,-1.9 19,-3.3 -3,-0.1 2,-0.4 -0.996 58.3 177.2-140.3 137.4 74.7 99.1 91.1 368 56 B V E +I 385 0A 49 -2,-0.4 2,-0.4 17,-0.2 17,-0.2 -0.968 14.5 174.0-137.4 114.8 75.1 95.6 89.7 369 57 B E E -I 384 0A 66 15,-2.5 15,-3.3 -2,-0.4 2,-0.5 -0.977 24.9-139.0-128.9 138.5 76.2 92.7 92.0 370 58 B D E -I 383 0A 72 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.836 27.8-176.4 -96.5 131.4 76.6 89.0 91.4 371 59 B R E -I 382 0A 36 11,-2.9 11,-2.4 -2,-0.5 2,-0.4 -0.846 20.3-143.1-124.0 156.8 75.4 86.7 94.2 372 60 B T E -I 381 0A 88 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.988 23.7-175.9-122.5 129.0 75.4 83.0 94.9 373 61 B I E -I 380 0A 7 7,-2.5 7,-2.0 -2,-0.4 2,-0.7 -0.879 29.4-105.0-125.2 161.2 72.4 81.5 96.7 374 62 B K E +I 379 0A 188 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.737 40.4 171.3 -89.8 116.8 71.5 78.1 98.0 375 63 B G E > -I 378 0A 8 3,-2.9 3,-1.5 -2,-0.7 69,-0.1 -0.706 50.0-102.1-113.1 169.2 69.0 76.2 96.0 376 64 B R T 3 S+ 0 0 139 1,-0.3 3,-0.1 -2,-0.2 68,-0.1 0.735 125.0 50.8 -64.2 -19.7 67.9 72.5 96.4 377 65 B N T 3 S- 0 0 67 1,-0.4 2,-0.3 63,-0.1 -1,-0.3 0.530 124.0 -97.3 -94.4 -5.8 70.2 71.7 93.4 378 66 B G E < S+I 375 0A 31 -3,-1.5 -3,-2.9 2,-0.0 -1,-0.4 -0.931 78.6 4.4 126.2-153.2 73.2 73.5 94.8 379 67 B D E -I 374 0A 118 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.356 56.2-165.6 -69.3 146.7 74.5 77.0 94.2 380 68 B I E -I 373 0A 2 -7,-2.0 -7,-2.5 -2,-0.1 2,-0.4 -0.981 11.0-144.9-133.2 122.0 72.6 79.3 92.0 381 69 B R E +IJ 372 429A 72 48,-0.6 48,-2.7 -2,-0.4 2,-0.3 -0.694 22.1 178.7 -84.8 136.2 74.3 82.5 90.6 382 70 B V E -IJ 371 428A 0 -11,-2.4 -11,-2.9 -2,-0.4 2,-0.5 -0.973 22.1-138.7-133.7 149.7 72.1 85.5 90.3 383 71 B R E -IJ 370 427A 28 44,-2.4 44,-2.3 -2,-0.3 2,-0.5 -0.961 14.2-153.9-111.9 121.9 72.8 89.1 89.1 384 72 B V E -IJ 369 426A 2 -15,-3.3 -15,-2.5 -2,-0.5 2,-0.6 -0.850 9.1-172.0 -95.4 122.9 71.2 91.9 91.0 385 73 B Y E +IJ 368 425A 0 40,-3.0 40,-2.4 -2,-0.5 2,-0.5 -0.965 8.5 178.1-114.3 112.0 70.7 95.2 89.1 386 74 B Q E +IJ 367 424A 7 -19,-3.3 -19,-1.9 -2,-0.6 38,-0.2 -0.951 21.1 171.8-123.6 116.9 69.6 98.0 91.3 387 75 B Q S S+ 0 0 31 36,-2.7 -1,-0.1 -2,-0.5 37,-0.1 0.745 82.7 3.3 -86.1 -27.9 69.0 101.5 89.9 388 76 B K S S- 0 0 111 35,-0.5 -1,-0.4 -21,-0.1 3,-0.3 -0.970 77.4-115.2-158.1 144.1 67.5 102.5 93.2 389 77 B P S S+ 0 0 57 0, 0.0 72,-0.2 0, 0.0 71,-0.1 -0.330 92.8 32.0 -76.1 160.6 66.9 100.9 96.7 390 78 B D S S+ 0 0 126 70,-1.9 71,-0.2 1,-0.2 70,-0.1 0.887 95.0 128.3 56.4 46.4 63.5 100.3 98.2 391 79 B S E -k 461 0A 7 69,-0.9 71,-2.2 -3,-0.3 -1,-0.2 -0.798 66.1 -81.9-128.0 166.6 62.0 99.6 94.8 392 80 B P E - 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