==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SYNTHASE 13-JUN-05 2BUI . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.G.OLSEN,P.VON WETTSTEIN-KNOWLES,A.HENRIKSEN . 1622 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1165 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 212 13.1 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 6 0.4 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 . 117 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 447 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.0 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 18 7 6 4 3 0 5 8 0 0 4 8 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 15 5 8 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 10 4 0 0 0 2 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 2 0 0 0 0 0 0 0 4 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 1 A M 0 0 169 0, 0.0 2,-0.1 0, 0.0 177,-0.1 0.000 360.0 360.0 360.0 114.0 11.7 52.8 74.9 2 2 A K - 0 0 110 176,-0.6 2,-0.3 175,-0.3 178,-0.1 -0.465 360.0-112.6 -89.0 161.1 14.9 54.6 76.0 3 3 A R - 0 0 66 -2,-0.1 240,-2.4 174,-0.1 2,-0.5 -0.698 21.0-150.4 -96.8 145.5 17.2 53.6 78.9 4 4 A A E -A 242 0A 2 253,-0.4 253,-2.5 -2,-0.3 2,-0.3 -0.960 14.8-180.0-119.5 130.3 17.7 55.5 82.1 5 5 A V E -AB 241 256A 0 236,-3.0 236,-3.3 -2,-0.5 2,-0.6 -0.840 30.6-116.9-123.0 159.4 20.9 55.5 84.1 6 6 A I E +AB 240 255A 2 249,-2.7 248,-2.1 -2,-0.3 249,-0.9 -0.891 32.3 171.7 -99.5 121.2 21.9 57.3 87.4 7 7 A T E + 0 0 0 232,-2.2 245,-0.4 -2,-0.6 2,-0.3 0.274 62.4 12.4-113.5 7.4 24.7 59.8 86.8 8 8 A G E - 0 0 0 231,-0.4 231,-2.7 243,-0.1 2,-0.3 -0.920 58.3-167.7-176.7 152.7 24.9 61.5 90.2 9 9 A L E -A 238 0A 1 -2,-0.3 2,-0.3 229,-0.2 229,-0.2 -0.985 3.0-171.8-150.0 158.3 23.6 61.3 93.7 10 10 A G E -A 237 0A 0 227,-2.1 227,-2.2 -2,-0.3 2,-0.3 -0.986 9.7-177.3-148.3 151.0 23.4 63.3 96.9 11 11 A I E -A 236 0A 0 -2,-0.3 2,-0.5 225,-0.2 225,-0.2 -0.965 23.8-168.9-160.8 138.7 22.4 62.4 100.5 12 12 A V E +A 235 0A 0 223,-2.0 223,-2.5 -2,-0.3 2,-0.2 -0.961 39.9 160.1-123.8 105.6 21.8 63.9 104.0 13 13 A S B > -K 16 0B 1 3,-4.1 3,-1.5 -2,-0.5 40,-0.5 -0.783 58.5-107.6-129.4 170.2 21.4 60.9 106.3 14 14 A S T 3 S+ 0 0 6 1,-0.3 37,-0.1 219,-0.3 3,-0.1 0.732 125.1 41.6 -65.6 -22.6 21.6 59.8 110.0 15 15 A I T 3 S+ 0 0 7 1,-0.3 10,-0.4 35,-0.1 -1,-0.3 0.102 128.7 3.8-111.2 19.2 24.8 58.0 109.0 16 16 A G B < -K 13 0B 5 -3,-1.5 -3,-4.1 9,-0.1 -1,-0.3 -0.648 45.2-140.8 163.2 139.6 26.3 60.7 106.8 17 17 A N S S+ 0 0 30 -5,-0.2 2,-0.3 -2,-0.2 -6,-0.2 0.299 96.2 8.7 -92.9 6.5 26.0 64.2 105.4 18 18 A N S > S- 0 0 39 -8,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.960 93.2 -84.4-169.6 173.2 27.3 63.1 102.0 19 19 A Q H > S+ 0 0 23 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.786 123.5 55.1 -63.2 -27.2 28.1 59.9 100.1 20 20 A Q H > S+ 0 0 120 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.952 111.2 42.6 -70.0 -49.8 31.6 59.8 101.6 21 21 A E H > S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.884 116.0 50.8 -62.5 -37.1 30.3 59.9 105.2 22 22 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.891 109.1 50.7 -66.9 -41.0 27.6 57.4 104.2 23 23 A L H X S+ 0 0 35 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.940 110.2 49.8 -61.5 -47.5 30.1 55.0 102.6 24 24 A A H X S+ 0 0 59 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.842 112.6 47.1 -60.5 -37.8 32.3 55.1 105.7 25 25 A S H X>S+ 0 0 14 -4,-1.8 5,-2.5 -10,-0.4 4,-1.4 0.924 109.9 52.2 -71.9 -45.1 29.3 54.4 108.0 26 26 A L H <5S+ 0 0 0 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.915 111.7 44.3 -58.6 -48.3 28.0 51.5 105.9 27 27 A R H <5S+ 0 0 85 -4,-2.1 350,-0.2 1,-0.2 -1,-0.2 0.864 116.7 47.6 -66.1 -34.4 31.3 49.6 105.7 28 28 A E H <5S- 0 0 119 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.658 107.1-128.2 -79.0 -17.5 31.9 50.2 109.4 29 29 A G T <5 + 0 0 16 -4,-1.4 -3,-0.2 -3,-0.3 -4,-0.1 0.791 46.8 176.1 71.8 26.3 28.3 49.1 110.2 30 30 A R < - 0 0 124 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.373 23.6-130.3 -69.0 142.3 28.0 52.3 112.1 31 31 A S - 0 0 15 -3,-0.1 300,-0.2 1,-0.1 299,-0.1 -0.647 14.3-165.1 -94.1 149.8 24.7 53.3 113.6 32 32 A G + 0 0 2 298,-3.3 19,-0.5 -2,-0.3 2,-0.3 0.315 53.3 113.0-114.5 6.9 22.9 56.6 113.3 33 33 A I + 0 0 3 297,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.617 40.2 174.5 -84.4 137.4 20.4 56.3 116.1 34 34 A T E -L 49 0C 58 15,-2.5 15,-1.8 -2,-0.3 2,-0.3 -0.868 39.0 -89.0-135.3 167.5 20.7 58.6 119.1 35 35 A F E -L 48 0C 70 -2,-0.3 2,-0.6 13,-0.2 13,-0.2 -0.629 40.7-148.4 -78.0 137.6 18.8 59.4 122.3 36 36 A S > - 0 0 1 11,-3.3 4,-1.9 -2,-0.3 5,-0.1 -0.919 19.4-173.7-115.1 111.8 16.2 62.1 121.7 37 37 A Q H > S+ 0 0 64 -2,-0.6 4,-3.1 1,-0.2 5,-0.2 0.872 89.6 59.3 -66.3 -35.4 15.4 64.5 124.5 38 38 A E H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 105.5 45.7 -58.8 -49.1 12.7 66.0 122.3 39 39 A L H >>S+ 0 0 0 2,-0.2 5,-1.9 1,-0.2 4,-0.5 0.934 114.7 48.4 -62.4 -44.2 10.9 62.7 121.9 40 40 A K H ><5S+ 0 0 67 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.936 111.2 50.2 -61.3 -47.0 11.1 61.9 125.6 41 41 A D H 3<5S+ 0 0 107 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.847 101.0 62.1 -60.8 -35.7 9.9 65.4 126.5 42 42 A S H 3<5S- 0 0 21 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.690 121.9-108.2 -64.7 -15.2 6.9 65.2 124.2 43 43 A G T <<5 + 0 0 47 -3,-1.5 490,-0.3 -4,-0.5 -3,-0.2 0.591 68.3 148.9 98.9 13.4 5.8 62.3 126.3 44 44 A M < - 0 0 6 -5,-1.9 -1,-0.2 2,-0.1 155,-0.1 -0.259 50.3-139.3 -77.0 166.2 6.5 59.5 123.9 45 45 A R S S+ 0 0 123 154,-0.1 2,-0.6 1,-0.0 167,-0.2 0.704 89.6 74.8 -94.3 -28.3 7.6 55.9 124.7 46 46 A S + 0 0 0 1,-0.1 163,-0.2 -7,-0.1 -2,-0.1 -0.787 54.8 173.1 -88.4 120.4 10.1 55.8 121.9 47 47 A H + 0 0 22 -2,-0.6 -11,-3.3 161,-0.1 2,-0.3 0.177 50.8 83.3-113.5 15.5 13.1 58.0 122.9 48 48 A V E +L 35 0C 0 160,-0.3 183,-0.4 -13,-0.2 2,-0.3 -0.904 46.7 160.7-123.2 150.9 15.4 57.1 119.9 49 49 A W E -L 34 0C 30 -15,-1.8 -15,-2.5 -2,-0.3 2,-1.0 -0.987 43.7-113.2-159.9 161.8 15.7 58.4 116.4 50 50 A G B -m 232 0D 0 181,-2.2 183,-2.2 -2,-0.3 -17,-0.2 -0.783 48.7-176.9-102.3 87.1 18.0 58.6 113.4 51 51 A N - 0 0 36 -2,-1.0 2,-0.6 -19,-0.5 -38,-0.0 -0.429 31.8-109.8 -86.2 158.8 18.7 62.4 113.3 52 52 A V - 0 0 18 -2,-0.1 2,-1.4 2,-0.1 -38,-0.2 -0.789 24.3-149.3 -87.3 122.3 20.7 64.4 110.8 53 53 A K + 0 0 86 -2,-0.6 2,-0.3 -40,-0.5 -36,-0.1 -0.640 56.8 108.9 -93.0 77.5 23.8 65.6 112.5 54 54 A L - 0 0 65 -2,-1.4 2,-1.1 -42,-0.0 -2,-0.1 -0.941 64.4-137.4-157.4 130.4 24.3 68.8 110.6 55 55 A D - 0 0 119 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 -0.764 22.6-175.8 -87.3 99.8 24.0 72.5 111.3 56 56 A T > + 0 0 38 -2,-1.1 3,-2.1 2,-0.1 4,-0.5 0.413 34.6 133.6 -78.9 3.2 22.2 73.7 108.2 57 57 A T T 3 S+ 0 0 110 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.303 80.0 2.3 -57.3 131.0 22.4 77.4 109.2 58 58 A G T 3 S+ 0 0 75 2,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.462 98.9 110.5 72.2 1.7 23.5 79.5 106.4 59 59 A L S < S+ 0 0 78 -3,-2.1 2,-0.4 1,-0.1 -2,-0.1 0.720 76.7 46.2 -79.9 -21.1 23.7 76.6 103.9 60 60 A I S S- 0 0 15 -4,-0.5 -2,-0.2 2,-0.0 -1,-0.1 -0.968 101.0 -94.2-125.0 139.5 20.8 77.8 101.9 61 61 A D >> - 0 0 103 -2,-0.4 4,-3.0 1,-0.1 3,-1.4 -0.169 33.5-122.8 -50.1 136.9 20.2 81.4 100.7 62 62 A R H 3> S+ 0 0 193 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.867 111.4 47.9 -48.6 -49.7 18.0 83.5 103.0 63 63 A K H 34 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.619 117.7 44.3 -71.0 -13.5 15.3 84.3 100.4 64 64 A V H X4 S+ 0 0 38 -3,-1.4 3,-1.1 2,-0.1 4,-0.2 0.850 111.2 47.9 -96.3 -46.2 15.2 80.6 99.4 65 65 A V H >< S+ 0 0 46 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.694 92.1 80.4 -71.0 -20.1 15.2 78.8 102.7 66 66 A R T 3< S+ 0 0 79 -4,-1.2 -1,-0.2 -5,-0.3 70,-0.1 0.667 96.1 45.6 -62.2 -17.1 12.4 81.0 104.1 67 67 A F T < S+ 0 0 24 -3,-1.1 -1,-0.3 68,-0.1 2,-0.2 0.513 100.1 99.3-101.1 -7.1 9.8 78.9 102.2 68 68 A M < - 0 0 6 -3,-1.5 2,-0.2 -4,-0.2 68,-0.2 -0.552 51.6-161.3 -94.4 148.7 11.3 75.6 103.3 69 69 A S > - 0 0 3 66,-0.2 4,-2.2 -2,-0.2 3,-0.3 -0.590 48.7 -90.7-106.6 172.1 10.5 73.0 105.9 70 70 A D H > S+ 0 0 43 1,-0.2 4,-2.8 -2,-0.2 5,-0.3 0.875 125.6 57.2 -56.2 -41.6 13.2 70.4 107.0 71 71 A A H > S+ 0 0 0 37,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.927 110.9 44.4 -55.3 -44.5 12.1 67.9 104.4 72 72 A S H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.894 111.6 53.1 -66.1 -42.0 12.7 70.4 101.7 73 73 A I H X S+ 0 0 15 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.928 109.7 47.3 -60.2 -47.6 16.0 71.5 103.2 74 74 A Y H X S+ 0 0 26 -4,-2.8 4,-1.8 1,-0.2 161,-0.2 0.899 115.0 46.3 -61.6 -42.3 17.4 68.0 103.3 75 75 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.869 110.2 54.1 -68.4 -37.7 16.3 67.3 99.7 76 76 A F H X S+ 0 0 13 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.942 110.1 45.4 -61.5 -49.6 17.7 70.7 98.6 77 77 A L H X S+ 0 0 11 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.876 112.3 53.1 -62.3 -37.0 21.2 69.9 100.0 78 78 A S H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.895 108.2 50.4 -64.7 -39.6 21.0 66.4 98.5 79 79 A M H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.889 105.9 54.5 -66.5 -40.0 20.2 67.9 95.1 80 80 A E H X S+ 0 0 85 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.911 111.4 46.6 -58.7 -42.8 23.2 70.3 95.3 81 81 A Q H X S+ 0 0 50 -4,-1.8 4,-2.8 2,-0.2 -72,-0.2 0.925 111.9 50.3 -64.2 -45.9 25.4 67.3 95.9 82 82 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.908 109.5 51.3 -59.2 -44.9 23.7 65.4 93.1 83 83 A I H X>S+ 0 0 15 -4,-3.1 5,-2.0 2,-0.2 4,-0.8 0.942 114.7 41.5 -57.8 -51.6 24.2 68.3 90.7 84 84 A A H ><5S+ 0 0 77 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.906 114.7 51.4 -63.8 -44.3 28.0 68.6 91.5 85 85 A D H 3<5S+ 0 0 51 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.707 108.4 53.2 -67.6 -19.8 28.5 64.8 91.5 86 86 A A H 3<5S- 0 0 5 -4,-1.3 166,-0.2 -3,-0.3 -1,-0.2 0.630 110.9-121.8 -89.4 -14.9 26.8 64.6 88.1 87 87 A G T <<5 + 0 0 57 -3,-0.8 2,-0.3 -4,-0.8 -3,-0.2 0.736 61.6 146.6 80.9 23.7 29.1 67.2 86.6 88 88 A L < - 0 0 16 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.701 29.9-164.4 -97.2 147.1 26.3 69.5 85.6 89 89 A S >> - 0 0 63 -2,-0.3 3,-2.1 1,-0.1 4,-1.3 -0.859 37.5 -98.6-124.3 159.8 26.3 73.3 85.5 90 90 A P H 3> S+ 0 0 56 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.851 118.2 62.4 -42.3 -49.3 23.5 75.9 85.4 91 91 A E H 34 S+ 0 0 164 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.782 111.0 40.6 -51.2 -29.2 23.9 76.4 81.6 92 92 A A H <4 S+ 0 0 52 -3,-2.1 -1,-0.2 1,-0.1 -4,-0.0 0.783 126.3 24.6 -95.3 -29.9 22.9 72.7 81.1 93 93 A Y H >< S+ 0 0 13 -4,-1.3 3,-0.6 -3,-0.3 60,-0.3 0.589 102.0 84.7-113.9 -11.7 20.1 72.0 83.6 94 94 A Q T 3< S+ 0 0 37 -4,-2.5 58,-0.2 -5,-0.3 57,-0.1 -0.675 99.9 6.3 -94.0 147.4 18.5 75.3 84.3 95 95 A N T 3 S+ 0 0 86 56,-2.6 -1,-0.2 -2,-0.3 57,-0.1 0.835 95.6 134.7 52.0 36.7 15.8 76.9 82.1 96 96 A N X - 0 0 44 -3,-0.6 3,-2.4 55,-0.4 57,-0.7 -0.937 50.1-157.3-121.6 108.5 15.8 73.6 80.1 97 97 A P T 3 S+ 0 0 60 0, 0.0 58,-0.2 0, 0.0 -1,-0.1 0.715 94.0 63.9 -53.3 -22.9 12.3 72.1 79.3 98 98 A R T 3 S+ 0 0 86 56,-0.1 85,-2.9 84,-0.1 86,-1.8 0.304 92.9 72.5 -87.1 7.5 14.1 68.7 79.0 99 99 A V E < +c 184 0A 2 -3,-2.4 55,-2.4 84,-0.2 54,-0.9 -0.982 61.9 166.1-128.0 123.6 15.1 68.7 82.6 100 100 A G E -c 185 0A 0 84,-2.6 86,-2.6 -2,-0.4 2,-0.3 -0.576 27.3-128.5-125.7-172.5 12.6 68.0 85.5 101 101 A L E +cd 186 156A 0 54,-2.2 56,-1.4 84,-0.3 2,-0.5 -0.969 16.5 175.2-145.7 124.8 12.2 67.2 89.1 102 102 A I E +cd 187 157A 0 84,-2.5 86,-1.3 -2,-0.3 2,-0.3 -0.922 29.8 135.2-130.7 103.3 10.1 64.5 90.8 103 103 A A E +c 188 0A 0 54,-1.0 86,-0.3 -2,-0.5 2,-0.2 -0.990 19.7 163.6-150.9 141.2 10.7 64.4 94.6 104 104 A G E -c 189 0A 0 84,-1.7 86,-1.1 -2,-0.3 2,-0.3 -0.830 25.0-126.3-147.5-175.6 8.5 64.1 97.6 105 105 A S - 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0 0 12 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.851 28.1-151.6 -99.4 119.2 -17.5 48.3 86.6 496 89 B S >> - 0 0 45 -2,-0.6 3,-1.4 1,-0.1 4,-1.0 -0.437 33.1-103.0 -80.6 161.8 -18.6 45.3 88.7 497 90 B P H >> S+ 0 0 61 0, 0.0 4,-2.9 0, 0.0 3,-1.1 0.922 123.0 52.9 -50.2 -50.7 -16.2 44.2 91.5 498 91 B E H 34 S+ 0 0 152 1,-0.2 -3,-0.0 2,-0.2 -2,-0.0 0.707 104.2 60.5 -60.7 -18.8 -14.8 41.3 89.6 499 92 B A H <4 S+ 0 0 38 -3,-1.4 -1,-0.2 1,-0.1 -4,-0.0 0.801 123.3 12.3 -81.2 -28.8 -14.0 43.7 86.7 500 93 B Y H X< S+ 0 0 14 -3,-1.1 3,-0.6 -4,-1.0 60,-0.3 0.530 104.2 93.3-126.0 -9.9 -11.7 46.0 88.7 501 94 B Q T 3< S+ 0 0 45 -4,-2.9 58,-0.2 -5,-0.3 57,-0.2 -0.549 93.7 5.2 -90.1 154.0 -10.8 44.3 92.0 502 95 B N T 3 S+ 0 0 88 56,-2.6 -1,-0.2 -2,-0.2 57,-0.1 0.823 95.3 134.0 44.9 38.0 -7.7 42.1 92.6 503 96 B N X - 0 0 43 -3,-0.6 3,-2.2 55,-0.5 57,-0.7 -0.948 50.3-156.7-121.5 110.8 -6.6 43.0 89.1 504 97 B P T 3 S+ 0 0 58 0, 0.0 58,-0.1 0, 0.0 -1,-0.1 0.629 94.2 63.5 -59.4 -13.7 -2.9 43.9 88.6 505 98 B R T 3 S+ 0 0 88 56,-0.1 85,-2.6 84,-0.1 86,-1.7 0.308 92.1 77.7 -92.2 6.6 -3.9 45.8 85.4 506 99 B V E < +u 591 0J 2 -3,-2.2 55,-2.5 84,-0.2 54,-0.6 -0.965 61.8 167.1-122.6 117.8 -6.1 48.2 87.5 507 100 B G E -u 592 0J 0 84,-2.9 86,-2.2 -2,-0.5 2,-0.3 -0.528 25.7-135.9-120.4-173.5 -4.4 51.0 89.4 508 101 B L E +uv 593 563J 0 54,-2.5 56,-1.5 84,-0.3 2,-0.5 -0.943 14.2 177.6-151.7 123.9 -5.2 54.2 91.3 509 102 B I E +uv 594 564J 0 84,-2.2 86,-1.2 -2,-0.3 2,-0.3 -0.960 29.3 132.2-129.2 109.9 -3.4 57.6 91.3 510 103 B A E +u 595 0J 0 54,-1.3 40,-0.3 -2,-0.5 86,-0.3 -0.977 18.9 160.2-158.4 143.2 -5.0 60.2 93.4 511 104 B G E -u 596 0J 0 84,-1.2 86,-1.6 -2,-0.3 2,-0.3 -0.784 26.6-120.0-148.6-167.7 -3.8 62.7 96.0 512 105 B S - 0 0 2 34,-0.5 57,-0.2 -2,-0.2 86,-0.2 -0.895 21.2-124.6-137.7 165.7 -4.4 65.9 97.9 513 106 B G S S+ 0 0 8 84,-0.3 -374,-1.9 -2,-0.3 -373,-0.5 0.887 105.9 15.2 -81.3 -40.6 -2.6 69.3 98.3 514 107 B G S S- 0 0 7 1,-0.3 2,-0.7 -376,-0.2 -1,-0.1 0.376 83.9-144.0-118.1 8.2 -2.3 69.3 102.0 515 108 B G S S- 0 0 3 31,-0.2 84,-0.4 82,-0.2 -1,-0.3 -0.563 70.4 -33.7 66.8-112.5 -2.9 65.8 103.3 516 109 B S > + 0 0 0 28,-0.8 4,-1.8 -2,-0.7 5,-0.2 -0.629 56.9 171.5-145.5 84.8 -4.7 66.5 106.5 517 110 B P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.914 83.3 61.2 -57.2 -40.1 -3.7 69.6 108.5 518 111 B R H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.942 109.7 37.1 -53.0 -54.7 -6.6 69.0 110.8 519 112 B F H > S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.743 112.2 58.9 -74.0 -19.9 -5.5 65.6 112.0 520 113 B Q H X S+ 0 0 5 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.917 113.5 40.0 -69.2 -42.0 -1.8 66.6 112.0 521 114 B V H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.860 110.7 57.9 -74.4 -35.9 -2.9 69.3 114.5 522 115 B F H X S+ 0 0 90 -4,-2.4 4,-3.1 -5,-0.3 5,-0.2 0.935 106.5 50.5 -58.2 -46.6 -5.2 67.0 116.3 523 116 B G H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.902 111.8 45.4 -58.5 -45.4 -2.3 64.7 117.0 524 117 B A H X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.878 115.5 47.8 -67.5 -38.3 -0.1 67.4 118.4 525 118 B D H < S+ 0 0 55 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.935 114.5 45.3 -67.1 -47.8 -2.9 68.8 120.5 526 119 B A H >< S+ 0 0 15 -4,-3.1 3,-1.8 -5,-0.2 6,-0.7 0.925 110.9 53.8 -61.1 -46.1 -3.9 65.4 121.9 527 120 B M H 3< S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.823 107.1 51.5 -58.7 -35.1 -0.3 64.5 122.6 528 121 B R T 3< S+ 0 0 112 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.384 99.7 89.4 -84.8 4.3 0.3 67.6 124.6 529 122 B G S X S- 0 0 31 -3,-1.8 3,-0.6 -4,-0.2 6,-0.1 -0.289 98.9 -87.6 -94.4-178.9 -2.8 66.9 126.7 530 123 B P T 3 S+ 0 0 145 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.671 125.8 45.3 -63.2 -16.6 -3.3 64.9 130.0 531 124 B R T > S+ 0 0 152 -5,-0.3 3,-1.4 1,-0.2 4,-0.1 0.661 81.0 177.2-101.3 -19.4 -3.8 61.7 128.0 532 125 B G T X> S+ 0 0 12 -6,-0.7 3,-1.7 -3,-0.6 4,-1.6 -0.240 70.4 9.8 54.8-131.8 -0.9 61.9 125.6 533 126 B L H 3> S+ 0 0 28 -490,-0.3 4,-2.1 1,-0.3 -1,-0.3 0.839 127.2 60.4 -46.4 -43.0 -0.6 58.8 123.3 534 127 B K H <4 S+ 0 0 156 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.844 106.9 46.9 -56.6 -35.4 -4.0 57.5 124.5 535 128 B A H <4 S+ 0 0 28 -3,-1.7 -1,-0.2 -9,-0.2 -2,-0.2 0.860 106.8 57.7 -75.2 -37.2 -5.6 60.6 123.2 536 129 B V H < S- 0 0 5 -4,-1.6 3,-0.4 -10,-0.1 -2,-0.2 0.939 91.2-165.0 -59.0 -49.5 -3.8 60.5 119.8 537 130 B G < - 0 0 18 -4,-2.1 3,-0.5 1,-0.2 -2,-0.1 -0.091 34.2 -79.8 83.3 170.9 -5.1 57.0 119.0 538 131 B P S S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.051 113.7 69.2 -99.6 26.8 -3.8 54.7 116.3 539 132 B Y > + 0 0 59 -3,-0.4 4,-0.9 2,-0.1 -2,-0.1 0.345 67.9 91.8-123.2 7.0 -5.5 56.2 113.2 540 133 B V H > S+ 0 0 3 -3,-0.5 4,-2.4 -340,-0.2 5,-0.2 0.849 80.1 57.5 -73.1 -34.5 -3.7 59.6 112.9 541 134 B V H > S+ 0 0 7 -341,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.934 107.3 44.9 -62.8 -50.1 -0.9 58.5 110.5 542 135 B T H 4 S+ 0 0 3 1,-0.2 -66,-0.2 2,-0.2 -1,-0.2 0.788 117.0 48.7 -66.1 -25.3 -3.2 57.2 107.7 543 136 B K H < S+ 0 0 38 -4,-0.9 -2,-0.2 -68,-0.2 -1,-0.2 0.866 120.1 33.5 -80.1 -39.2 -5.3 60.3 108.0 544 137 B A H < S+ 0 0 3 -4,-2.4 -28,-0.8 -25,-0.2 -2,-0.2 0.706 88.8 106.7 -92.5 -24.5 -2.5 62.8 108.0 545 138 B M S >< S- 0 0 13 -4,-2.7 3,-2.0 -5,-0.2 -438,-0.2 -0.229 78.9-118.0 -57.3 147.2 0.1 61.2 105.7 546 139 B A T 3 S+ 0 0 3 -440,-2.2 -34,-0.5 1,-0.3 3,-0.4 0.806 113.0 52.5 -57.1 -32.3 0.3 62.9 102.3 547 140 B S T >> S+ 0 0 1 -441,-0.5 4,-3.0 1,-0.2 3,-0.6 0.228 72.0 115.0 -90.5 13.6 -0.8 59.8 100.5 548 141 B G H <> S+ 0 0 3 -3,-2.0 4,-3.0 1,-0.2 5,-0.2 0.905 71.7 57.7 -48.0 -48.2 -3.9 59.3 102.6 549 142 B V H 34 S+ 0 0 1 -3,-0.4 -1,-0.2 -4,-0.2 4,-0.2 0.873 115.4 34.0 -52.6 -43.9 -6.1 59.9 99.6 550 143 B S H X> S+ 0 0 1 -3,-0.6 4,-2.7 -40,-0.3 3,-0.8 0.877 119.2 49.9 -82.7 -37.3 -4.6 57.0 97.6 551 144 B A H 3X S+ 0 0 2 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.889 109.0 51.8 -67.6 -39.9 -3.8 54.7 100.5 552 145 B C H 3< S+ 0 0 2 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.511 119.1 36.5 -75.9 -5.1 -7.3 54.9 101.9 553 146 B L H <> S+ 0 0 0 -3,-0.8 4,-1.9 -5,-0.2 6,-0.2 0.722 110.0 56.7-112.7 -41.0 -8.9 54.1 98.6 554 147 B A H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 -3,-0.2 0.880 108.5 50.3 -60.7 -39.0 -6.6 51.5 97.0 555 148 B T T ><5S+ 0 0 8 -4,-1.3 3,-1.4 -5,-0.3 -1,-0.2 0.967 114.1 38.2 -68.5 -55.8 -6.9 49.2 100.1 556 149 B P T 345S+ 0 0 36 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.829 114.6 55.9 -68.2 -26.9 -10.7 49.0 100.4 557 150 B F T 3<5S- 0 0 14 -4,-1.9 -2,-0.2 2,-0.0 -55,-0.1 0.361 109.4-122.5 -86.1 9.5 -11.3 48.9 96.7 558 151 B K T < 5 + 0 0 82 -3,-1.4 -56,-2.6 1,-0.2 -55,-0.5 0.857 44.1 179.3 55.9 37.9 -9.0 45.9 96.3 559 152 B I < + 0 0 0 -5,-2.5 -1,-0.2 -6,-0.2 -52,-0.1 -0.578 15.8 174.3 -75.0 128.2 -6.7 47.7 93.9 560 153 B H + 0 0 18 -57,-0.7 -296,-1.6 -54,-0.6 -53,-0.2 0.534 57.3 68.2-110.2 -10.6 -3.8 45.6 92.8 561 154 B G S S- 0 0 2 -55,-2.5 -54,-0.2 -58,-0.4 -56,-0.1 0.420 103.8 -18.4 -84.6-138.2 -2.1 47.8 90.1 562 155 B V - 0 0 6 -58,-0.1 -54,-2.5 -299,-0.1 -1,-0.3 -0.385 61.7-176.1 -68.7 150.0 -0.3 51.2 90.7 563 156 B N E +v 508 0J 1 -300,-0.2 2,-0.3 -56,-0.2 -54,-0.2 -0.781 29.1 94.1-153.9 102.3 -1.1 52.9 94.0 564 157 B Y E -v 509 0J 2 -56,-1.5 -54,-1.3 -2,-0.3 2,-0.4 -0.973 57.0-105.5-172.4 173.7 0.3 56.3 95.0 565 158 B S E -N 160 0E 1 -405,-2.5 -405,-3.7 -2,-0.3 2,-0.5 -0.919 13.5-151.3-118.7 141.1 -0.4 60.0 95.1 566 159 B I E -N 159 0E 0 -2,-0.4 2,-0.4 -407,-0.2 -407,-0.2 -0.911 19.4-168.0-104.2 136.6 0.9 62.8 93.0 567 160 B S E +N 158 0E 2 -409,-3.7 -409,-2.9 -2,-0.5 -54,-0.1 -0.995 27.3 147.5-130.4 129.9 1.0 66.1 94.9 568 161 B S > - 0 0 1 1,-0.5 3,-2.6 -2,-0.4 4,-0.3 -0.239 57.5-112.4-156.7 53.1 1.6 69.4 93.3 569 162 B A G > S+ 0 0 9 1,-0.3 3,-1.1 -56,-0.3 -1,-0.5 -0.224 97.8 0.8 50.2-121.7 -0.4 72.0 95.3 570 163 B C G 3 S+ 0 0 9 1,-0.2 -1,-0.3 2,-0.1 227,-0.2 0.464 136.3 54.7 -76.7 1.4 -3.2 73.3 93.1 571 164 B A G X> S+ 0 0 0 -3,-2.6 4,-2.4 225,-0.1 3,-0.9 0.471 77.5 109.7-108.2 -6.2 -2.2 71.1 90.1 572 165 B T H <> S+ 0 0 0 -3,-1.1 4,-1.9 1,-0.3 -2,-0.1 0.820 78.7 38.4 -35.1 -67.1 -2.3 67.9 92.1 573 166 B S H 3> S+ 0 0 0 170,-1.4 4,-1.6 -4,-0.2 -1,-0.3 0.755 114.0 56.8 -67.1 -22.6 -5.4 66.1 90.7 574 167 B A H <> S+ 0 0 2 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.937 108.5 45.9 -71.1 -46.8 -4.6 67.2 87.2 575 168 B H H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.856 108.5 58.7 -62.7 -34.1 -1.1 65.6 87.3 576 169 B C H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.915 108.3 44.2 -60.2 -45.1 -2.8 62.5 88.8 577 170 B I H X S+ 0 0 2 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.904 113.9 50.6 -66.6 -42.6 -5.0 62.2 85.7 578 171 B G H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.914 109.3 49.9 -62.2 -44.6 -2.1 62.9 83.4 579 172 B N H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.875 107.9 54.5 -62.3 -38.5 0.1 60.2 85.1 580 173 B A H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.922 106.1 52.4 -60.8 -42.5 -2.8 57.8 84.8 581 174 B V H X S+ 0 0 3 -4,-2.0 4,-2.4 1,-0.2 3,-0.2 0.929 106.4 53.6 -58.1 -44.7 -2.8 58.5 81.1 582 175 B E H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 6,-0.2 0.865 104.2 55.1 -58.5 -37.9 1.0 57.8 81.0 583 176 B Q H <>S+ 0 0 2 -4,-1.9 5,-1.6 1,-0.2 6,-1.3 0.889 109.4 47.2 -63.3 -38.1 0.3 54.4 82.6 584 177 B I H ><5S+ 0 0 1 -4,-1.7 3,-1.0 -3,-0.2 -2,-0.2 0.897 112.5 49.7 -68.6 -40.3 -2.1 53.6 79.8 585 178 B Q H 3<5S+ 0 0 86 -4,-2.4 -176,-0.5 1,-0.3 -2,-0.2 0.819 107.4 53.3 -69.2 -31.6 0.4 54.8 77.2 586 179 B L T 3<5S- 0 0 32 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.482 111.2-123.6 -81.4 -0.7 3.2 52.7 78.7 587 180 B G T < 5S+ 0 0 27 -3,-1.0 -3,-0.2 2,-0.2 -2,-0.1 0.640 80.4 120.3 67.5 14.0 0.9 49.7 78.4 588 181 B K S - 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