==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-APR-04 1V19 . COMPND 2 MOLECULE: 2-KETO-3-DEOXYGLUCONATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.H.TAHIROV,E.INAGAKI . 602 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 431 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 8.3 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.2 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 . 42 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 3 1 1 2 0 0 3 2 1 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 5 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 PARALLEL BRIDGES PER LADDER . 0 1 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 1 2 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 1 A M 0 0 150 0, 0.0 2,-0.2 0, 0.0 48,-0.2 0.000 360.0 360.0 360.0 149.5 39.3 66.4 31.0 2 2 A L - 0 0 29 122,-0.2 125,-0.3 120,-0.2 48,-0.2 -0.503 360.0-172.3 -77.4 141.9 37.2 63.3 30.0 3 3 A E S S+ 0 0 56 46,-2.3 125,-2.3 1,-0.3 124,-0.7 0.744 73.3 23.8-100.9 -33.1 37.1 62.1 26.4 4 4 A V E -ab 50 128A 0 45,-2.1 47,-1.9 123,-0.2 2,-0.4 -0.974 58.1-167.3-136.3 149.8 34.4 59.5 26.8 5 5 A V E -ab 51 129A 0 123,-1.8 125,-3.2 -2,-0.3 2,-0.3 -0.986 10.4-175.5-137.9 123.6 31.5 58.9 29.2 6 6 A T E -ab 52 130A 0 45,-2.8 47,-2.1 -2,-0.4 2,-0.3 -0.716 2.6-174.1-111.8 167.5 29.7 55.6 29.3 7 7 A A E +a 53 0A 0 123,-1.0 125,-0.4 -2,-0.3 2,-0.3 -0.955 24.3 94.6-163.7 142.1 26.6 54.7 31.4 8 8 A G S S- 0 0 0 45,-1.5 47,-0.3 -2,-0.3 105,-0.1 -0.985 70.0 -43.5 165.6-166.6 24.5 51.6 32.2 9 9 A E - 0 0 11 -2,-0.3 28,-0.2 45,-0.1 26,-0.2 -0.827 49.0-141.3 -97.6 118.6 23.9 48.8 34.6 10 10 A P - 0 0 2 0, 0.0 77,-0.4 0, 0.0 2,-0.3 -0.426 20.5-164.1 -72.8 151.9 27.1 47.0 35.9 11 11 A L E -I 33 0B 13 22,-2.0 22,-3.9 75,-0.1 2,-0.6 -0.970 18.3-134.6-136.0 151.9 26.7 43.2 36.3 12 12 A V E -Ij 32 88B 0 75,-1.5 77,-1.9 -2,-0.3 2,-0.4 -0.936 26.2-146.9-105.8 126.9 28.8 40.5 38.0 13 13 A A E -Ij 31 89B 0 18,-3.9 18,-2.7 -2,-0.6 2,-0.5 -0.767 9.6-162.1 -97.5 140.3 29.3 37.5 35.9 14 14 A L E +Ij 30 90B 0 75,-2.1 77,-1.9 -2,-0.4 16,-0.2 -0.992 20.9 174.8-118.3 121.6 29.5 34.0 37.2 15 15 A V E -I 29 0B 0 14,-2.5 14,-3.6 -2,-0.5 77,-0.1 -0.992 30.1-120.8-134.8 137.0 31.1 31.6 34.7 16 16 A P E -I 28 0B 0 0, 0.0 12,-0.2 0, 0.0 4,-0.1 -0.284 29.1-118.8 -68.6 162.4 32.2 27.9 34.9 17 17 A Q S S+ 0 0 60 10,-0.5 11,-0.1 2,-0.1 268,-0.0 0.605 90.0 11.6 -78.6 -11.7 35.9 27.1 34.2 18 18 A E S S- 0 0 92 2,-0.1 75,-0.2 1,-0.1 -1,-0.1 -0.965 96.1 -69.1-155.8 167.0 35.2 25.0 31.1 19 19 A P S S+ 0 0 66 0, 0.0 75,-0.2 0, 0.0 2,-0.2 -0.042 76.9 87.6 -55.7 163.8 32.4 24.1 28.7 20 20 A G S S- 0 0 12 73,-1.7 73,-0.3 -4,-0.1 2,-0.1 -0.469 80.2 -45.8 126.0 162.1 29.5 22.0 29.9 21 21 A H > - 0 0 84 -2,-0.2 3,-1.5 1,-0.1 4,-0.3 -0.398 42.2-133.9 -67.3 139.4 26.1 22.3 31.5 22 22 A L G > S+ 0 0 3 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.765 100.6 71.3 -62.0 -29.9 25.9 24.6 34.4 23 23 A R G 3 S+ 0 0 71 1,-0.3 -1,-0.3 3,-0.0 346,-0.1 0.769 101.2 46.7 -61.0 -23.9 23.9 22.0 36.4 24 24 A G G < S+ 0 0 46 -3,-1.5 -1,-0.3 2,-0.0 2,-0.2 0.464 87.7 105.5 -98.9 -1.0 27.1 20.0 36.7 25 25 A K < - 0 0 27 -3,-1.4 3,-0.1 -4,-0.3 -5,-0.0 -0.556 39.5-178.0 -82.4 144.2 29.5 22.7 37.8 26 26 A R S S+ 0 0 132 -2,-0.2 306,-2.0 1,-0.2 2,-0.4 0.366 72.3 51.7-114.8 -4.1 30.8 22.9 41.4 27 27 A L E - K 0 331B 49 304,-0.2 -10,-0.5 289,-0.0 2,-0.4 -0.999 60.5-171.1-139.9 137.1 32.9 26.0 40.8 28 28 A L E -IK 16 330B 4 302,-2.3 302,-2.6 -2,-0.4 2,-0.3 -0.987 17.6-136.8-130.9 136.2 32.2 29.4 39.2 29 29 A E E -IK 15 329B 23 -14,-3.6 -14,-2.5 -2,-0.4 2,-0.5 -0.641 20.1-134.4 -88.6 147.2 34.5 32.2 38.3 30 30 A V E +I 14 0B 9 298,-2.4 2,-0.3 -2,-0.3 -16,-0.2 -0.907 29.2 168.3-108.3 127.1 33.6 35.7 39.2 31 31 A Y E -I 13 0B 38 -18,-2.7 -18,-3.9 -2,-0.5 2,-0.5 -0.966 35.4-119.8-135.6 151.2 34.0 38.6 36.7 32 32 A V E +I 12 0B 8 -2,-0.3 256,-0.4 -20,-0.2 255,-0.2 -0.809 47.2 160.7 -91.9 125.5 32.8 42.2 36.4 33 33 A G E +I 11 0B 0 -22,-3.9 -22,-2.0 -2,-0.5 4,-0.1 -0.546 18.2 134.4-129.3-163.5 30.7 42.7 33.4 34 34 A G > - 0 0 7 -24,-0.3 4,-3.2 -2,-0.2 3,-0.3 0.218 58.1-109.0 116.7 117.3 28.1 45.0 31.8 35 35 A A H > S+ 0 0 11 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.865 119.7 37.8 -37.4 -58.3 28.2 46.2 28.2 36 36 A E H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.825 114.1 55.9 -68.9 -33.4 29.1 49.8 29.1 37 37 A V H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.948 107.0 50.8 -62.1 -46.7 31.4 48.7 32.0 38 38 A N H X S+ 0 0 6 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.890 111.1 47.5 -57.9 -43.6 33.3 46.6 29.5 39 39 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.3 5,-0.3 0.946 111.5 51.3 -63.4 -47.4 33.7 49.6 27.1 40 40 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.913 111.9 45.5 -55.9 -48.7 34.8 51.9 29.9 41 41 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.866 112.0 51.4 -65.3 -38.5 37.5 49.5 31.2 42 42 A A H X S+ 0 0 1 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.934 113.2 44.6 -65.1 -44.2 38.8 48.8 27.7 43 43 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.3 0.913 110.9 54.8 -64.6 -42.6 39.1 52.6 26.9 44 44 A A H ><5S+ 0 0 18 -4,-2.5 3,-1.0 -5,-0.3 -1,-0.2 0.868 107.5 50.2 -58.6 -39.2 40.7 53.1 30.4 45 45 A R H 3<5S+ 0 0 19 -4,-2.0 249,-2.6 1,-0.2 250,-0.3 0.819 107.6 53.9 -69.9 -30.1 43.3 50.5 29.5 46 46 A L T 3<5S- 0 0 0 -4,-1.5 -1,-0.2 247,-0.3 -2,-0.2 0.424 122.7-105.1 -84.3 2.4 44.1 52.2 26.2 47 47 A G T < 5S+ 0 0 38 -3,-1.0 2,-0.5 -4,-0.3 -3,-0.2 0.571 72.7 142.5 88.3 7.3 44.7 55.5 28.0 48 48 A V < - 0 0 4 -5,-2.5 2,-0.6 -6,-0.2 -1,-0.3 -0.718 57.9-119.4 -83.0 128.9 41.4 57.2 27.0 49 49 A K + 0 0 112 -2,-0.5 -46,-2.3 -48,-0.2 -45,-2.1 -0.578 47.3 175.8 -70.1 114.4 40.1 59.3 29.9 50 50 A V E -a 4 0A 2 -2,-0.6 25,-3.1 23,-0.4 2,-0.4 -0.952 23.8-160.0-131.0 144.0 36.7 57.7 30.6 51 51 A G E -ac 5 75A 0 -47,-1.9 -45,-2.8 -2,-0.4 2,-0.5 -0.956 8.6-152.2-121.2 139.1 33.9 58.2 33.1 52 52 A F E -a 6 0A 0 23,-2.4 2,-0.6 -2,-0.4 26,-0.3 -0.943 4.9-159.3-113.4 129.2 31.2 55.6 34.0 53 53 A V E +a 7 0A 0 -47,-2.1 -45,-1.5 -2,-0.5 2,-0.3 -0.924 43.1 90.4-108.4 122.2 27.8 56.7 35.2 54 54 A G E -p 79 0C 0 24,-0.9 26,-1.6 -2,-0.6 2,-0.3 -0.980 56.5-107.7 173.7 177.7 25.8 54.1 37.2 55 55 A R E -p 80 0C 55 -47,-0.3 2,-0.3 -2,-0.3 26,-0.2 -0.955 17.0-175.6-133.6 150.1 24.9 52.5 40.4 56 56 A V E -p 81 0C 1 24,-1.2 26,-2.5 -2,-0.3 30,-0.1 -0.734 38.5 -91.6-128.6 174.7 25.5 49.2 42.1 57 57 A G E -p 82 0C 0 -2,-0.3 2,-1.0 24,-0.2 28,-0.2 -0.332 35.3-104.2 -86.4 173.8 24.0 48.0 45.4 58 58 A E S S+ 0 0 94 26,-1.4 2,-0.2 24,-0.6 26,-0.1 -0.384 88.7 98.1 -93.8 56.5 25.5 48.4 48.9 59 59 A D S > S- 0 0 7 -2,-1.0 4,-1.6 24,-0.1 5,-0.1 -0.608 92.4 -87.0-126.5-172.3 26.6 44.8 49.0 60 60 A E H > S+ 0 0 8 2,-0.2 4,-1.4 -2,-0.2 5,-0.1 0.839 124.4 51.8 -70.5 -35.1 29.8 42.8 48.4 61 61 A L H > S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.845 109.8 50.5 -70.4 -32.9 29.2 42.4 44.7 62 62 A G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.886 109.1 50.5 -70.3 -38.9 28.7 46.2 44.3 63 63 A A H X S+ 0 0 1 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.816 109.0 54.2 -65.6 -31.3 31.9 46.9 46.2 64 64 A M H X S+ 0 0 20 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.881 106.6 49.0 -70.0 -41.5 33.6 44.5 43.9 65 65 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.895 112.3 51.0 -64.4 -40.2 32.4 46.3 40.8 66 66 A E H X S+ 0 0 35 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.889 107.9 48.3 -67.0 -43.9 33.6 49.6 42.3 67 67 A E H X S+ 0 0 89 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.889 111.5 53.3 -64.9 -36.0 37.1 48.5 43.1 68 68 A R H X S+ 0 0 74 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.955 110.8 44.0 -61.1 -53.6 37.4 47.1 39.6 69 69 A L H X>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 4,-0.6 0.892 117.3 47.9 -58.8 -40.2 36.4 50.4 37.9 70 70 A R H ><5S+ 0 0 128 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.890 108.9 52.0 -68.8 -40.8 38.7 52.2 40.4 71 71 A A H 3<5S+ 0 0 70 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.840 109.9 51.1 -63.8 -33.5 41.6 49.9 39.8 72 72 A E H 3<5S- 0 0 24 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.582 117.7-112.1 -79.7 -13.4 41.2 50.4 36.0 73 73 A G T <<5 + 0 0 56 -3,-0.7 -23,-0.4 -4,-0.6 2,-0.4 0.827 58.8 158.3 85.1 33.3 41.2 54.2 36.4 74 74 A V < - 0 0 9 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.3 -0.763 47.2-115.4 -89.9 135.2 37.6 54.9 35.4 75 75 A D B -c 51 0A 56 -25,-3.1 -23,-2.4 -2,-0.4 3,-0.2 -0.575 32.2-178.4 -70.8 127.2 36.2 58.2 36.6 76 76 A L > + 0 0 29 -2,-0.4 3,-2.5 -25,-0.2 -1,-0.1 0.043 36.4 129.7-116.2 25.2 33.5 57.4 39.1 77 77 A T T 3 S+ 0 0 76 1,-0.3 -1,-0.1 -24,-0.0 -24,-0.1 0.864 91.0 26.5 -44.0 -43.5 32.4 61.0 39.9 78 78 A H T 3 S+ 0 0 35 -26,-0.3 -24,-0.9 -3,-0.2 2,-0.4 0.021 106.0 92.7-112.8 25.2 28.9 60.0 39.2 79 79 A F E < +p 54 0C 3 -3,-2.5 2,-0.3 -26,-0.2 -24,-0.2 -0.961 50.6 147.7-116.4 136.6 29.1 56.3 40.0 80 80 A R E -p 55 0C 127 -26,-1.6 -24,-1.2 -2,-0.4 2,-0.4 -0.991 48.8 -98.9-164.0 161.6 28.3 55.2 43.5 81 81 A R E +p 56 0C 59 -2,-0.3 -24,-0.2 -26,-0.2 -23,-0.1 -0.725 45.1 178.4 -87.3 135.3 26.9 52.4 45.6 82 82 A A E -p 57 0C 29 -26,-2.5 -24,-0.6 -2,-0.4 27,-0.1 -0.906 39.5 -65.9-135.0 162.1 23.2 52.9 46.6 83 83 A P S S+ 0 0 104 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.118 98.2 49.2 -47.1 143.2 20.5 51.0 48.5 84 84 A G S S- 0 0 49 -26,-0.1 -26,-1.4 24,-0.1 2,-0.3 -0.662 89.8 -65.1 117.5-174.4 19.5 47.8 46.8 85 85 A F - 0 0 58 22,-0.3 24,-2.6 -28,-0.2 25,-0.5 -0.717 38.5-111.7-114.8 164.8 21.5 44.9 45.4 86 86 A T - 0 0 2 -2,-0.3 2,-0.1 22,-0.2 -75,-0.1 -0.790 35.6-120.2 -94.6 133.2 23.9 44.4 42.5 87 87 A G + 0 0 1 -77,-0.4 -75,-1.5 -2,-0.4 2,-0.3 -0.395 33.2 179.9 -73.1 149.3 22.7 42.4 39.6 88 88 A L E -jL 12 104B 0 16,-1.6 16,-2.5 -77,-0.2 2,-0.3 -0.896 8.6-161.4-140.4 167.8 24.5 39.2 38.5 89 89 A Y E -jL 13 103B 16 -77,-1.9 -75,-2.1 -2,-0.3 2,-0.3 -0.989 13.8-131.5-154.2 149.4 24.1 36.6 35.9 90 90 A L E -jL 14 102B 2 12,-2.9 12,-2.8 -2,-0.3 2,-0.3 -0.800 20.6-160.8-104.8 147.6 25.2 33.1 35.2 91 91 A R E - L 0 101B 7 -77,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.871 8.1-175.0-125.0 156.5 26.7 31.9 31.9 92 92 A E E - L 0 100B 3 8,-0.9 8,-2.0 -2,-0.3 2,-0.6 -0.924 8.6-163.7-155.8 123.2 27.2 28.5 30.3 93 93 A Y E - L 0 99B 47 -2,-0.3 -73,-1.7 -73,-0.3 6,-0.2 -0.929 21.0-141.0-115.1 112.3 28.9 27.5 27.1 94 94 A L > - 0 0 27 4,-1.7 3,-3.2 -2,-0.6 -2,-0.0 -0.398 24.0-106.6 -73.9 145.8 28.0 24.0 25.8 95 95 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.811 119.5 41.4 -32.7 -58.8 30.6 21.6 24.2 96 96 A L T 3 S- 0 0 158 2,-0.1 -2,-0.1 1,-0.1 -3,-0.0 0.470 128.3 -93.1 -78.0 0.9 29.3 22.0 20.7 97 97 A G S < S+ 0 0 60 -3,-3.2 2,-0.5 1,-0.3 -1,-0.1 0.202 79.2 134.9 113.7 -18.8 28.9 25.8 21.1 98 98 A Q - 0 0 104 -5,-0.1 -4,-1.7 1,-0.0 -1,-0.3 -0.533 37.6-167.7 -68.9 114.3 25.2 26.2 22.1 99 99 A G E -L 93 0B 57 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.612 13.7-168.9-105.9 166.5 25.2 28.7 25.0 100 100 A R E -L 92 0B 108 -8,-2.0 -8,-0.9 -2,-0.2 2,-0.3 -0.983 5.0-156.6-152.9 140.1 22.7 30.0 27.6 101 101 A V E -L 91 0B 56 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.873 1.1-159.3-119.5 151.4 22.5 32.8 30.1 102 102 A F E -L 90 0B 24 -12,-2.8 -12,-2.9 -2,-0.3 2,-0.3 -0.984 13.0-150.4-133.1 124.0 20.6 33.3 33.3 103 103 A Y E +L 89 0B 73 -2,-0.4 -14,-0.2 -14,-0.2 3,-0.1 -0.750 24.3 172.7-101.1 141.8 19.8 36.7 34.9 104 104 A Y E +L 88 0B 17 -16,-2.5 -16,-1.6 -2,-0.3 -1,-0.0 -0.592 55.9 99.4-137.2 65.0 19.3 37.8 38.5 105 105 A R > + 0 0 19 -18,-0.3 3,-2.0 3,-0.1 2,-0.3 0.456 36.7 130.3-131.8 -7.4 19.2 41.5 38.1 106 106 A K T 3 S+ 0 0 198 1,-0.3 32,-0.0 -3,-0.1 0, 0.0 -0.368 84.4 9.0 -60.0 116.7 15.5 42.6 38.1 107 107 A G T 3 S+ 0 0 60 -2,-0.3 -22,-0.3 1,-0.2 -1,-0.3 0.592 93.7 155.0 90.3 13.3 15.0 45.4 40.5 108 108 A S < - 0 0 6 -3,-2.0 3,-0.4 -24,-0.1 -1,-0.2 -0.212 58.4-112.5 -71.0 162.7 18.6 46.0 41.1 109 109 A A S > S+ 0 0 13 -24,-2.6 3,-0.7 1,-0.2 4,-0.3 0.788 116.4 56.2 -65.4 -27.4 20.1 49.3 42.2 110 110 A G G > S+ 0 0 3 -25,-0.5 3,-0.7 1,-0.2 -55,-0.2 0.784 96.4 59.8 -77.5 -28.2 21.8 49.6 38.8 111 111 A S G 3 S+ 0 0 19 -3,-0.4 -1,-0.2 -6,-0.3 31,-0.2 0.264 84.0 87.1 -84.3 13.9 18.7 49.3 36.6 112 112 A A G < + 0 0 58 -3,-0.7 -1,-0.2 -57,-0.1 -2,-0.1 0.860 51.6 140.6 -78.9 -37.7 17.2 52.4 38.3 113 113 A L < + 0 0 10 -3,-0.7 32,-0.4 -4,-0.3 33,-0.2 0.376 24.8 168.8 -12.8 110.0 18.9 54.9 35.9 114 114 A A > - 0 0 38 31,-0.1 3,-1.5 30,-0.1 28,-0.1 -0.855 45.6 -65.5-128.8 163.5 16.3 57.6 35.3 115 115 A P T 3 S+ 0 0 65 0, 0.0 30,-0.1 0, 0.0 31,-0.1 -0.232 122.7 28.8 -52.9 133.0 16.6 61.1 33.7 116 116 A G T 3 S+ 0 0 45 29,-0.2 -3,-0.0 2,-0.1 29,-0.0 0.489 74.3 144.1 93.1 5.4 18.8 63.4 35.6 117 117 A A S < S+ 0 0 32 -3,-1.5 2,-0.3 2,-0.1 -63,-0.1 0.703 70.5 16.3 -48.9 -28.9 20.9 60.6 37.0 118 118 A F S S- 0 0 11 -65,-0.1 -2,-0.1 -39,-0.0 -40,-0.0 -0.895 97.2 -81.4-141.3 170.6 24.1 62.7 36.9 119 119 A D > - 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v 0 520D 2 25,-3.2 27,-3.3 -2,-0.6 2,-0.3 -0.961 25.5-139.6-134.9 148.5 13.9 26.7 68.8 495 193 B S E > - v 0 521D 21 -2,-0.3 4,-2.5 25,-0.2 5,-0.2 -0.730 24.1-126.2-100.3 150.9 17.1 28.7 69.3 496 194 B E H > S+ 0 0 28 25,-1.9 4,-2.2 -2,-0.3 5,-0.1 0.906 113.5 51.0 -62.0 -40.2 17.8 30.5 72.6 497 195 B E H > S+ 0 0 92 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.842 109.9 50.5 -64.7 -35.8 18.5 33.7 70.6 498 196 B E H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.969 110.1 47.6 -66.8 -54.2 15.1 33.3 68.8 499 197 B A H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 6,-0.3 0.896 118.3 44.3 -52.0 -42.1 13.2 32.8 72.0 500 198 B E H X S+ 0 0 105 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.852 114.2 47.7 -71.5 -38.3 15.0 35.8 73.4 501 199 B L H < S+ 0 0 67 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.632 123.4 33.9 -80.4 -14.1 14.5 37.9 70.2 502 200 B L H < S+ 0 0 3 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.434 134.3 22.5-118.9 -4.2 10.8 37.0 70.0 503 201 B F H < S- 0 0 42 -4,-1.0 2,-0.8 -5,-0.3 -3,-0.2 0.344 99.4-111.8-143.8 4.0 9.9 36.8 73.7 504 202 B G S < S+ 0 0 52 -4,-1.4 2,-0.3 -5,-0.1 -4,-0.2 -0.313 91.8 27.0 93.5 -52.9 12.4 38.8 75.6 505 203 B R S > S- 0 0 176 -2,-0.8 4,-1.7 -6,-0.3 3,-0.5 -0.999 81.9-109.1-148.2 149.1 14.0 35.9 77.4 506 204 B V T 4 S+ 0 0 29 -2,-0.3 4,-0.1 1,-0.2 -6,-0.1 0.404 117.5 53.3 -54.9 5.0 14.6 32.2 76.9 507 205 B E T > S+ 0 0 115 2,-0.1 4,-0.9 3,-0.1 -1,-0.2 0.801 101.7 49.3-107.2 -50.7 12.0 31.7 79.6 508 206 B E H >> S+ 0 0 67 -3,-0.5 3,-2.3 1,-0.2 4,-2.1 0.964 110.6 54.3 -53.5 -52.5 9.0 33.6 78.6 509 207 B A H 3X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.3 -1,-0.2 0.885 102.9 56.6 -48.2 -44.3 9.2 32.0 75.2 510 208 B L H 34 S+ 0 0 50 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.690 109.4 47.7 -63.7 -18.0 9.2 28.5 76.9 511 209 B R H << S+ 0 0 155 -3,-2.3 3,-0.2 -4,-0.9 -2,-0.2 0.937 116.8 39.2 -84.2 -58.5 5.9 29.5 78.5 512 210 B A H < S+ 0 0 40 -4,-2.1 2,-2.4 1,-0.2 -2,-0.2 0.959 112.3 53.3 -55.3 -64.8 4.1 30.9 75.4 513 211 B L S < S+ 0 0 10 -4,-2.1 2,-1.1 -5,-0.2 -1,-0.2 -0.477 72.2 163.6 -75.7 72.3 5.3 28.3 72.8 514 212 B S + 0 0 87 -2,-2.4 -1,-0.1 -3,-0.2 -4,-0.1 -0.573 7.6 164.7 -97.7 73.8 4.1 25.3 74.9 515 213 B A - 0 0 14 -2,-1.1 -25,-0.2 1,-0.1 3,-0.1 -0.531 56.1 -99.6 -86.3 153.7 4.1 22.5 72.3 516 214 B P S S+ 0 0 96 0, 0.0 16,-0.5 0, 0.0 2,-0.3 0.681 113.3 15.6 -43.9 -20.7 4.0 18.8 73.3 517 215 B E S S- 0 0 9 -27,-0.4 -25,-2.3 -28,-0.1 2,-0.4 -0.869 70.4-177.0-161.7 122.1 7.7 18.8 72.7 518 216 B V E -vW 492 530D 9 12,-1.2 12,-3.2 -2,-0.3 2,-0.6 -0.975 11.2-157.9-125.5 136.2 10.2 21.6 72.3 519 217 B V E -vW 493 529D 0 -27,-2.8 -25,-3.2 -2,-0.4 2,-0.8 -0.950 8.7-162.2-115.8 113.2 13.9 21.4 71.5 520 218 B L E -vW 494 528D 0 8,-3.3 8,-2.5 -2,-0.6 2,-0.3 -0.846 6.8-154.2-100.1 106.8 15.8 24.5 72.6 521 219 B K E -vW 495 527D 31 -27,-3.3 -25,-1.9 -2,-0.8 2,-0.2 -0.620 9.6-172.1 -79.5 133.5 19.2 24.7 70.9 522 220 B R > - 0 0 28 4,-1.4 3,-2.1 1,-0.4 -27,-0.1 -0.565 38.5-102.7-129.8 70.5 21.8 26.6 72.9 523 221 B G T 3 S- 0 0 62 1,-0.3 -1,-0.4 -2,-0.2 3,-0.0 -0.183 91.1 -24.2 49.9-136.5 24.9 27.2 70.9 524 222 B A T 3 S+ 0 0 69 1,-0.2 2,-1.6 -3,-0.1 17,-1.4 0.464 119.3 95.8 -84.5 -1.9 27.7 24.8 71.9 525 223 B K S < S- 0 0 112 -3,-2.1 13,-0.2 1,-0.2 -1,-0.2 -0.343 97.6-114.4 -83.6 52.9 26.0 24.5 75.3 526 224 B G - 0 0 12 -2,-1.6 -4,-1.4 13,-0.1 2,-0.3 -0.234 41.1-103.6 53.0-127.9 24.2 21.4 74.3 527 225 B A E -W 521 0D 1 11,-0.4 11,-2.9 -6,-0.2 2,-0.4 -0.888 19.5-114.1 174.8 156.8 20.5 21.9 74.1 528 226 B W E -WX 520 537D 65 -8,-2.5 -8,-3.3 -2,-0.3 2,-0.5 -0.918 15.1-157.9-115.6 137.5 17.4 21.1 76.1 529 227 B A E -WX 519 536D 0 7,-3.3 7,-1.7 -2,-0.4 2,-0.7 -0.950 10.0-155.7-110.6 126.1 14.5 18.8 75.1 530 228 B F E +W 518 0D 38 -12,-3.2 -12,-1.2 -2,-0.5 2,-0.3 -0.819 29.2 146.6-111.4 97.3 11.2 19.4 76.8 531 229 B V > + 0 0 19 -2,-0.7 3,-1.7 3,-0.4 -14,-0.1 -0.881 68.4 3.3-122.2 154.8 8.8 16.4 77.0 532 230 B D T 3 S- 0 0 163 -16,-0.5 -1,-0.2 -2,-0.3 3,-0.1 0.813 123.1 -67.8 36.7 48.7 6.3 15.5 79.7 533 231 B G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 -3,-0.2 2,-0.0 0.311 114.8 119.1 61.6 -16.4 7.1 18.7 81.7 534 232 B R < - 0 0 127 -3,-1.7 -3,-0.4 1,-0.0 2,-0.2 -0.266 58.4-144.9 -71.7 164.6 10.5 16.9 82.1 535 233 B R - 0 0 169 -5,-0.2 -5,-0.2 -3,-0.1 2,-0.2 -0.636 12.0-167.0-142.3 87.3 13.5 18.7 80.7 536 234 B V E -X 529 0D 13 -7,-1.7 -7,-3.3 -2,-0.2 2,-0.3 -0.442 12.0-143.9 -74.8 139.7 16.4 16.7 79.2 537 235 B E E -X 528 0D 123 -9,-0.2 2,-0.3 -2,-0.2 -9,-0.2 -0.760 13.2-130.9-103.5 150.0 19.7 18.3 78.5 538 236 B G - 0 0 11 -11,-2.9 -11,-0.4 -2,-0.3 2,-0.2 -0.699 28.2 -89.8-105.2 155.7 21.9 17.6 75.6 539 237 B S - 0 0 59 -2,-0.3 -13,-0.1 -13,-0.2 -1,-0.1 -0.376 42.7-134.8 -59.7 119.3 25.6 16.8 75.2 540 238 B A - 0 0 60 -2,-0.2 2,-0.4 -15,-0.1 -15,-0.2 -0.355 20.3-133.6 -70.8 158.4 27.6 20.0 74.7 541 239 B F - 0 0 82 -17,-1.4 2,-0.1 2,-0.1 -15,-0.1 -0.972 18.2-163.7-126.5 134.4 30.2 19.9 71.9 542 240 B A + 0 0 115 -2,-0.4 2,-0.4 2,-0.1 -2,-0.0 -0.282 54.2 117.8-102.5 44.4 33.8 21.1 71.9 543 241 B V - 0 0 81 -2,-0.1 2,-0.3 -19,-0.1 -2,-0.1 -0.916 62.2-124.6-112.9 138.0 34.2 21.1 68.1 544 242 B E - 0 0 171 -2,-0.4 2,-0.3 1,-0.1 -2,-0.1 -0.612 29.8-103.7 -85.7 143.5 35.0 24.3 66.2 545 243 B A + 0 0 59 -2,-0.3 40,-0.2 1,-0.2 -1,-0.1 -0.450 34.2 174.4 -69.9 124.8 32.8 25.5 63.3 546 244 B V S S- 0 0 75 38,-2.1 39,-0.2 -2,-0.3 -1,-0.2 0.894 89.7 -11.6 -87.1 -59.5 34.1 25.0 59.8 547 245 B D - 0 0 1 37,-2.3 39,-0.3 39,-0.3 -1,-0.2 -0.801 67.7-169.7-145.0 93.4 30.9 26.2 58.1 548 246 B P > + 0 0 79 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.455 51.0 116.4 -65.1 -4.2 28.0 26.5 60.8 549 247 B V T 3 S+ 0 0 46 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 -0.549 83.3 12.4 -71.4 125.3 25.4 27.0 58.0 550 248 B G T 3> S+ 0 0 11 -2,-0.3 4,-2.2 40,-0.1 -1,-0.2 0.374 90.8 115.0 90.9 -5.2 22.9 24.2 58.0 551 249 B A H <> S+ 0 0 19 -3,-1.4 4,-2.1 1,-0.2 -2,-0.1 0.870 77.2 51.9 -65.5 -35.4 24.1 22.8 61.4 552 250 B G H > S+ 0 0 27 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.844 109.0 49.8 -68.2 -33.4 20.7 23.6 62.8 553 251 B D H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.901 110.9 49.6 -68.2 -44.2 18.9 21.8 60.0 554 252 B A H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 26,-0.3 0.883 109.0 52.4 -61.8 -41.8 21.1 18.7 60.5 555 253 B F H X S+ 0 0 15 -4,-2.1 4,-1.9 24,-0.2 -1,-0.2 0.932 109.9 48.7 -59.5 -47.9 20.4 18.8 64.3 556 254 B A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.886 111.3 50.7 -60.6 -40.0 16.6 18.9 63.5 557 255 B A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.886 109.0 50.1 -66.6 -40.8 17.1 16.0 61.1 558 256 B G H X S+ 0 0 0 -4,-2.4 4,-1.7 18,-0.3 18,-0.3 0.838 110.7 50.2 -67.3 -32.9 19.0 13.9 63.7 559 257 B Y H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.932 112.7 46.0 -69.5 -45.5 16.3 14.5 66.3 560 258 B L H X S+ 0 0 0 -4,-2.2 4,-4.1 2,-0.2 5,-0.3 0.878 110.0 54.0 -63.3 -41.8 13.5 13.5 63.8 561 259 B A H X S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.922 111.3 46.1 -59.3 -44.0 15.5 10.4 62.7 562 260 B G H <>S+ 0 0 0 -4,-1.7 5,-1.7 10,-0.2 -2,-0.2 0.910 116.3 44.8 -64.5 -43.8 15.7 9.4 66.4 563 261 B A H ><5S+ 0 0 18 -4,-2.5 3,-3.7 1,-0.2 -2,-0.2 0.980 110.6 52.7 -62.5 -57.9 12.1 10.1 66.9 564 262 B V H 3<5S+ 0 0 27 -4,-4.1 -1,-0.2 1,-0.3 -2,-0.2 0.746 111.3 49.7 -49.6 -25.8 11.0 8.3 63.7 565 263 B W T 3<5S- 0 0 74 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.228 117.9-114.8 -99.4 13.2 13.0 5.4 65.1 566 264 B G T < 5 + 0 0 67 -3,-3.7 -3,-0.2 1,-0.2 -2,-0.1 0.938 56.8 161.1 54.3 57.7 11.3 5.5 68.5 567 265 B L < - 0 0 47 -5,-1.7 -1,-0.2 1,-0.1 5,-0.1 -0.813 44.9 -98.0-109.6 148.8 14.4 6.4 70.6 568 266 B P >> - 0 0 64 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.208 43.4-101.3 -58.5 155.1 14.4 7.9 74.1 569 267 B V H 3> S+ 0 0 11 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.708 121.6 57.3 -52.6 -24.8 14.8 11.7 74.3 570 268 B E H 3> S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.895 108.3 44.6 -74.4 -41.2 18.5 11.2 75.2 571 269 B E H <> S+ 0 0 92 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.801 110.6 55.3 -72.8 -29.7 19.3 9.3 72.1 572 270 B R H X S+ 0 0 24 -4,-1.9 4,-2.4 2,-0.2 -10,-0.2 0.905 112.2 43.3 -67.9 -40.4 17.3 11.7 70.0 573 271 B L H X S+ 0 0 3 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.886 111.8 52.6 -71.3 -40.2 19.5 14.5 71.4 574 272 B R H < S+ 0 0 167 -4,-2.4 4,-0.2 1,-0.2 -2,-0.2 0.903 114.7 43.7 -61.2 -40.7 22.7 12.6 71.1 575 273 B L H >X S+ 0 0 15 -4,-2.0 4,-1.9 2,-0.2 3,-0.9 0.904 108.3 58.7 -69.9 -45.9 21.8 11.9 67.4 576 274 B A H 3X S+ 0 0 0 -4,-2.4 4,-2.7 -18,-0.3 3,-0.4 0.940 111.7 38.0 -51.5 -56.6 20.7 15.5 66.7 577 275 B N H 3X S+ 0 0 20 -4,-2.0 4,-1.4 1,-0.2 -1,-0.3 0.502 108.4 65.7 -79.6 0.7 24.0 17.1 67.6 578 276 B L H <> S+ 0 0 55 -3,-0.9 4,-1.3 -4,-0.2 -1,-0.2 0.856 110.8 35.3 -83.3 -39.0 25.9 14.3 66.0 579 277 B L H X S+ 0 0 0 -4,-1.9 4,-2.5 -3,-0.4 5,-0.3 0.913 117.5 54.3 -75.6 -45.4 24.5 15.3 62.6 580 278 B G H X S+ 0 0 8 -4,-2.7 4,-2.4 -26,-0.3 -2,-0.2 0.903 110.3 46.4 -52.9 -45.8 24.6 19.0 63.6 581 279 B A H X S+ 0 0 18 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.864 110.2 53.4 -66.8 -38.6 28.3 18.6 64.5 582 280 B S H < S+ 0 0 34 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.928 113.2 42.3 -63.5 -45.6 29.1 16.7 61.3 583 281 B V H >< S+ 0 0 2 -4,-2.5 3,-1.7 1,-0.2 -36,-0.2 0.885 111.7 53.5 -68.4 -41.7 27.6 19.4 59.1 584 282 B A H 3< S+ 0 0 13 -4,-2.4 -37,-2.3 -5,-0.3 -38,-2.1 0.852 105.2 58.8 -60.7 -30.9 29.1 22.2 61.1 585 283 B A T 3< S+ 0 0 45 -4,-1.6 2,-0.3 -39,-0.2 -1,-0.3 0.467 104.9 59.2 -77.8 -3.0 32.4 20.4 60.5 586 284 B S S < S- 0 0 39 -3,-1.7 -39,-0.3 -39,-0.3 2,-0.1 -0.903 83.0-113.8-128.6 156.2 32.0 20.6 56.7 587 285 B R S S+ 0 0 85 -2,-0.3 4,-0.1 -41,-0.1 2,-0.1 -0.452 80.0 50.3 -78.9 160.0 31.7 23.3 54.1 588 286 B G S S- 0 0 0 -2,-0.1 -2,-0.1 1,-0.1 -39,-0.1 -0.338 96.5 -82.6 98.8 174.3 28.4 23.4 52.2 589 287 B D S S+ 0 0 3 -255,-0.3 -36,-0.1 -2,-0.1 -1,-0.1 0.913 118.9 0.8 -85.3 -46.9 24.9 23.5 53.6 590 288 B H S > S+ 0 0 3 -256,-0.4 3,-1.6 -37,-0.1 2,-0.3 0.160 95.0 124.9-127.2 13.9 24.3 19.8 54.2 591 289 B E T 3 S+ 0 0 46 1,-0.2 -5,-0.3 -4,-0.1 -258,-0.0 -0.574 71.5 40.1 -71.7 137.1 27.6 18.4 53.0 592 290 B G T 3 S+ 0 0 29 1,-0.4 -1,-0.2 -2,-0.3 -8,-0.1 0.282 75.6 143.2 105.8 -14.3 28.9 16.3 55.9 593 291 B A < - 0 0 3 -3,-1.6 -1,-0.4 -11,-0.1 -14,-0.1 -0.476 54.5-118.2 -61.4 126.1 25.5 14.9 56.8 594 292 B P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.317 19.8-127.7 -69.8 149.5 26.4 11.3 57.9 595 293 B Y >> - 0 0 96 1,-0.1 3,-1.7 -247,-0.1 4,-1.1 -0.588 27.5-105.2 -94.3 160.3 25.1 8.1 56.1 596 294 B R H >> S+ 0 0 103 -249,-3.0 4,-1.7 1,-0.3 3,-1.1 0.935 119.3 56.8 -46.2 -61.0 23.3 5.2 57.8 597 295 B E H 3> S+ 0 0 125 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.680 102.2 60.2 -45.9 -23.7 26.3 2.9 57.6 598 296 B D H <> S+ 0 0 75 -3,-1.7 4,-2.2 2,-0.2 -1,-0.3 0.908 102.2 47.1 -74.8 -46.2 28.3 5.6 59.5 599 297 B L H