==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-AUG-07 2QVL . COMPND 2 MOLECULE: DIACYLGLYCEROL KINASE DGKB; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR D.J.MILLER,A.JERGA,C.O.ROCK,S.W.WHITE . 284 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 22.5 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 . 3 1.1 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 . 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 . 27 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 0 1 0 0 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 4 0 2 1 1 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 . 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 -2 A S 0 0 167 0, 0.0 34,-0.1 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 92.9 41.7 45.0 5.3 2 -1 A H + 0 0 113 33,-0.1 2,-0.3 2,-0.1 33,-0.0 0.453 360.0 35.6-100.2 -4.0 43.1 41.6 4.4 3 0 A X S S- 0 0 63 3,-0.0 2,-0.2 32,-0.0 3,-0.1 -0.975 82.1 -96.6-148.7 158.0 42.6 39.6 7.6 4 1 A X - 0 0 176 -2,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.489 61.8 -84.9 -71.2 147.6 40.4 39.1 10.6 5 2 A R - 0 0 138 -2,-0.2 2,-0.2 32,-0.1 32,-0.2 -0.231 51.4-164.2 -60.5 139.9 41.5 41.1 13.7 6 3 A K E -a 37 0A 46 30,-3.3 32,-3.5 -3,-0.1 2,-0.4 -0.672 15.9-119.2-121.1 173.4 44.1 39.4 15.8 7 4 A R E -a 38 0A 58 30,-0.2 56,-2.2 -2,-0.2 57,-1.6 -0.976 26.8-177.2-121.9 126.0 45.5 39.8 19.4 8 5 A A E -ab 39 64A 0 30,-2.9 32,-2.0 -2,-0.4 2,-0.5 -0.953 10.7-160.7-122.6 143.1 49.2 40.6 20.2 9 6 A R E -ab 40 65A 42 55,-2.1 57,-3.2 -2,-0.4 2,-0.5 -0.983 8.5-153.2-120.7 119.6 51.0 40.9 23.5 10 7 A I E -ab 41 66A 0 30,-3.4 32,-3.2 -2,-0.5 2,-0.6 -0.812 7.7-170.3 -88.7 127.4 54.3 42.8 23.7 11 8 A I E +ab 42 67A 0 55,-3.8 57,-2.6 -2,-0.5 2,-0.4 -0.971 21.4 175.0-114.6 115.1 56.6 41.6 26.5 12 9 A Y E -ab 43 68A 18 30,-2.8 32,-2.5 -2,-0.6 57,-0.2 -0.948 37.9-138.5-133.5 144.6 59.5 44.0 26.8 13 10 A N > - 0 0 41 55,-2.3 3,-1.0 -2,-0.4 8,-0.2 -0.881 17.6-161.4 -91.9 110.2 62.5 44.8 28.9 14 11 A P T 3 S+ 0 0 26 0, 0.0 8,-0.3 0, 0.0 -1,-0.1 0.733 88.8 49.3 -70.2 -20.4 62.6 48.7 29.2 15 12 A T T 3 S+ 0 0 93 6,-0.1 2,-0.4 -3,-0.1 54,-0.0 -0.205 84.7 133.3-107.4 41.3 66.3 48.7 30.2 16 13 A S S X S- 0 0 10 -3,-1.0 3,-3.0 52,-0.1 4,-0.3 -0.787 73.3 -46.7-104.0 134.8 67.5 46.5 27.4 17 14 A G T 3 S- 0 0 34 -2,-0.4 79,-0.1 1,-0.3 80,-0.1 -0.286 133.1 -4.0 48.7-117.5 70.6 47.2 25.2 18 15 A K T 3 S- 0 0 197 78,-0.1 -1,-0.3 77,-0.1 78,-0.1 0.582 92.9-131.0 -77.6 -14.2 70.3 50.9 24.2 19 16 A E < + 0 0 90 -3,-3.0 4,-0.4 76,-0.4 -2,-0.1 0.774 66.1 130.5 68.6 30.5 66.9 51.1 25.9 20 17 A Q > + 0 0 31 -4,-0.3 4,-1.2 1,-0.1 3,-0.3 0.693 48.0 81.3 -84.0 -20.0 65.2 52.8 22.9 21 18 A F H >> S+ 0 0 4 -5,-0.3 4,-1.1 1,-0.2 3,-0.7 0.881 85.0 54.4 -60.3 -48.8 62.1 50.4 22.8 22 19 A K H >4 S+ 0 0 122 -8,-0.3 3,-0.7 1,-0.3 -1,-0.2 0.902 110.7 49.1 -51.4 -44.1 60.0 52.1 25.5 23 20 A R H 34 S+ 0 0 194 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.783 115.3 44.2 -64.1 -28.4 60.4 55.4 23.5 24 21 A E H XX S+ 0 0 72 -4,-1.2 4,-1.6 -3,-0.7 3,-0.6 0.461 86.7 95.4 -96.9 -2.4 59.4 53.6 20.3 25 22 A L H S+ 0 0 79 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.837 111.8 43.6 -56.0 -31.2 53.6 54.0 20.8 27 24 A D H <> S+ 0 0 90 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.756 110.2 54.7 -83.6 -29.6 54.7 53.8 17.1 28 25 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.3 -1,-0.2 0.862 109.1 49.6 -64.5 -38.6 55.1 50.0 17.3 29 26 A L H X S+ 0 0 51 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.907 109.3 51.3 -67.7 -42.0 51.5 49.9 18.6 30 27 A I H X S+ 0 0 85 -4,-1.5 4,-2.8 -5,-0.2 -2,-0.2 0.943 112.8 45.8 -57.2 -47.9 50.3 52.1 15.7 31 28 A K H X S+ 0 0 50 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.882 114.4 46.9 -66.4 -42.0 52.0 49.8 13.2 32 29 A L H <>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 -1,-0.2 0.890 113.2 49.8 -68.1 -37.2 50.7 46.6 14.8 33 30 A E H ><5S+ 0 0 66 -4,-2.7 3,-2.0 3,-0.2 -2,-0.2 0.934 107.3 53.4 -67.3 -44.4 47.2 48.0 15.0 34 31 A K H 3<5S+ 0 0 180 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.819 106.9 53.8 -58.1 -32.7 47.2 49.1 11.3 35 32 A A T 3<5S- 0 0 38 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.433 130.4 -95.8 -80.9 -3.7 48.2 45.6 10.4 36 33 A G T < 5S+ 0 0 17 -3,-2.0 -30,-3.3 1,-0.2 2,-0.6 0.615 79.8 131.3 103.5 17.8 45.1 44.2 12.4 37 34 A Y E < -a 6 0A 17 -5,-2.3 2,-0.8 -32,-0.2 -30,-0.2 -0.897 51.6-143.6-109.0 116.4 46.6 43.3 15.8 38 35 A E E -a 7 0A 90 -32,-3.5 -30,-2.9 -2,-0.6 2,-0.4 -0.724 38.7-159.6 -72.1 114.6 44.8 44.5 18.9 39 36 A T E +a 8 0A 18 -2,-0.8 2,-0.3 -32,-0.2 -30,-0.2 -0.860 24.8 173.3-115.9 132.5 48.1 45.1 20.9 40 37 A S E -a 9 0A 34 -32,-2.0 -30,-3.4 -2,-0.4 2,-0.3 -0.870 17.9-142.3-127.4 164.8 48.9 45.4 24.6 41 38 A A E -a 10 0A 38 -2,-0.3 2,-0.4 -32,-0.2 -30,-0.2 -0.963 8.5-161.7-134.8 145.7 52.3 45.6 26.3 42 39 A Y E -a 11 0A 50 -32,-3.2 -30,-2.8 -2,-0.3 2,-0.6 -0.986 12.1-150.7-127.3 122.8 53.9 44.4 29.5 43 40 A A E -a 12 0A 34 -2,-0.4 -30,-0.2 -32,-0.2 2,-0.1 -0.822 16.4-137.7 -92.9 120.8 57.1 45.9 31.0 44 41 A T - 0 0 11 -32,-2.5 3,-0.1 -2,-0.6 29,-0.0 -0.410 19.2-176.8 -67.5 150.3 59.3 43.6 32.9 45 42 A E + 0 0 177 1,-0.4 2,-0.3 -2,-0.1 -1,-0.1 0.694 64.3 9.3-114.3 -44.2 60.8 44.8 36.2 46 43 A K S > S- 0 0 146 1,-0.1 3,-2.2 -33,-0.0 -1,-0.4 -0.873 93.7 -69.2-131.4 165.0 63.0 41.9 37.4 47 44 A I T 3 S+ 0 0 157 -2,-0.3 -1,-0.1 1,-0.2 26,-0.0 -0.229 121.0 29.2 -43.7 136.3 64.5 38.6 36.2 48 45 A G T 3> S+ 0 0 25 -3,-0.0 4,-1.9 1,-0.0 -1,-0.2 0.149 88.8 103.9 89.8 -20.4 61.6 36.1 35.9 49 46 A D H <> S+ 0 0 8 -3,-2.2 4,-2.1 1,-0.2 5,-0.2 0.878 79.5 51.9 -59.2 -40.5 58.9 38.7 35.1 50 47 A A H > S+ 0 0 0 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.864 108.9 50.4 -67.4 -36.6 58.8 37.8 31.4 51 48 A T H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 111.7 47.6 -64.0 -44.6 58.3 34.0 32.2 52 49 A L H X S+ 0 0 74 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.883 112.6 48.7 -67.2 -40.3 55.4 34.8 34.6 53 50 A E H X S+ 0 0 12 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.897 109.9 51.2 -66.8 -41.7 53.7 37.1 32.1 54 51 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.862 108.3 54.0 -63.5 -38.3 54.1 34.6 29.3 55 52 A E H < S+ 0 0 75 -4,-2.1 4,-0.3 2,-0.2 3,-0.3 0.915 111.4 44.0 -57.5 -49.8 52.5 32.0 31.6 56 53 A R H >< S+ 0 0 118 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.906 108.5 58.6 -59.3 -44.2 49.5 34.4 32.2 57 54 A A H >< S+ 0 0 1 -4,-2.7 3,-2.1 1,-0.3 5,-0.4 0.767 89.3 73.9 -60.3 -28.8 49.3 35.2 28.5 58 55 A X T 3< S+ 0 0 33 -4,-1.2 3,-0.4 -3,-0.3 -1,-0.3 0.776 99.1 45.8 -52.7 -31.4 48.8 31.4 27.8 59 56 A H T < S+ 0 0 157 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.290 100.0 72.8 -95.2 6.2 45.2 31.8 29.1 60 57 A E S < S- 0 0 113 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.213 98.7-117.2-116.4 17.1 44.4 35.0 27.2 61 58 A N + 0 0 122 -3,-0.4 2,-0.4 1,-0.2 -3,-0.1 0.927 47.3 170.4 55.2 57.2 44.0 33.8 23.6 62 59 A Y - 0 0 30 -5,-0.4 -1,-0.2 1,-0.1 -54,-0.2 -0.834 31.3-157.8 -98.2 141.8 46.9 35.7 21.9 63 60 A D S S+ 0 0 71 -56,-2.2 26,-2.3 -2,-0.4 2,-0.4 0.796 82.0 24.4 -80.0 -36.1 47.8 35.0 18.3 64 61 A V E -bc 8 89A 0 -57,-1.6 -55,-2.1 24,-0.2 2,-0.5 -0.995 58.3-158.6-137.5 139.6 51.3 36.4 18.8 65 62 A L E -bc 9 90A 0 24,-2.8 26,-3.0 -2,-0.4 2,-0.6 -0.975 17.8-157.0-108.5 122.4 53.7 37.0 21.7 66 63 A I E -bc 10 91A 0 -57,-3.2 -55,-3.8 -2,-0.5 2,-0.7 -0.909 2.7-162.3-107.9 116.6 56.3 39.7 21.0 67 64 A A E -bc 11 92A 0 24,-2.7 26,-2.8 -2,-0.6 2,-0.7 -0.873 6.0-173.4 -98.8 112.8 59.5 39.5 23.0 68 65 A A E +bc 12 93A 0 -57,-2.6 -55,-2.3 -2,-0.7 2,-0.3 -0.887 50.3 53.9-109.2 98.1 61.5 42.8 22.9 69 66 A G E S- c 0 94A 0 24,-1.5 26,-1.1 -2,-0.7 27,-0.7 -0.979 86.8 -46.4 170.3-166.3 64.8 42.3 24.7 70 67 A G S > S- 0 0 12 25,-0.4 4,-2.0 -2,-0.3 3,-0.3 -0.014 71.7 -76.3 -78.8-170.5 67.9 40.3 24.7 71 68 A D H > S+ 0 0 17 27,-0.7 4,-2.2 1,-0.2 5,-0.1 0.724 129.7 62.0 -59.3 -23.0 68.4 36.5 24.7 72 69 A G H > S+ 0 0 39 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.912 103.8 43.9 -71.0 -48.6 67.3 36.6 28.4 73 70 A T H > S+ 0 0 7 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.937 116.2 50.6 -57.4 -48.0 63.8 38.0 27.8 74 71 A L H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.888 109.9 48.0 -55.2 -50.3 63.5 35.5 24.9 75 72 A N H X S+ 0 0 14 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.872 112.6 50.4 -59.8 -41.7 64.6 32.5 27.0 76 73 A E H X S+ 0 0 26 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.881 109.4 49.3 -65.2 -42.4 62.1 33.6 29.7 77 74 A V H X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 3,-0.3 0.932 112.0 49.0 -62.5 -46.3 59.2 34.0 27.3 78 75 A V H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.827 107.2 56.1 -61.8 -36.2 59.9 30.5 25.8 79 76 A N H < S+ 0 0 32 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.849 107.2 50.3 -64.6 -35.3 60.1 29.0 29.4 80 77 A G H < S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.735 122.3 29.3 -76.2 -24.6 56.6 30.4 30.0 81 78 A I H >< S+ 0 0 2 -4,-1.1 3,-1.7 -3,-0.2 -2,-0.2 0.608 86.4 123.2-110.4 -17.3 55.0 28.9 26.8 82 79 A A T 3< S+ 0 0 4 -4,-2.5 186,-0.0 1,-0.3 53,-0.0 -0.185 83.8 3.1 -54.0 135.9 57.2 25.7 26.2 83 80 A E T 3 S+ 0 0 87 1,-0.2 -1,-0.3 184,-0.1 -4,-0.0 0.602 98.6 128.0 62.8 20.6 55.2 22.4 26.0 84 81 A K X - 0 0 72 -3,-1.7 3,-0.6 1,-0.0 -1,-0.2 -0.827 63.9-110.2-104.8 141.0 51.8 24.1 26.4 85 82 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.423 97.3 21.0 -67.0 147.4 48.9 23.5 24.0 86 83 A N T 3 S- 0 0 159 1,-0.2 -25,-0.1 -2,-0.1 0, 0.0 0.879 80.2-172.1 62.2 45.0 47.9 26.4 21.7 87 84 A R < - 0 0 84 -3,-0.6 -1,-0.2 1,-0.1 3,-0.1 -0.457 21.4-124.3 -63.7 133.0 51.2 28.4 21.9 88 85 A P - 0 0 12 0, 0.0 181,-0.3 0, 0.0 -24,-0.2 -0.327 35.5 -94.7 -67.1 163.3 51.1 31.8 20.2 89 86 A K E -c 64 0A 71 -26,-2.3 -24,-2.8 179,-0.1 2,-0.5 -0.506 42.8-117.8 -75.0 153.6 53.6 32.4 17.5 90 87 A L E -cd 65 270A 1 179,-2.8 181,-2.5 -26,-0.2 2,-0.5 -0.804 22.3-163.7-100.5 131.6 56.8 34.2 18.7 91 88 A G E -c 66 0A 0 -26,-3.0 -24,-2.7 -2,-0.5 2,-0.6 -0.954 11.4-150.0-110.9 133.0 57.8 37.6 17.5 92 89 A V E +c 67 0A 4 -2,-0.5 -24,-0.2 179,-0.3 26,-0.1 -0.902 18.7 177.2-110.3 118.9 61.4 38.7 18.1 93 90 A I E -c 68 0A 0 -26,-2.8 -24,-1.5 -2,-0.6 2,-1.3 -0.946 27.9-141.2-113.2 106.6 62.5 42.3 18.5 94 91 A P E +c 69 0A 8 0, 0.0 -24,-0.2 0, 0.0 -26,-0.1 -0.497 40.4 152.7 -74.3 90.4 66.3 42.2 19.3 95 92 A X + 0 0 22 -2,-1.3 -76,-0.4 -26,-1.1 -25,-0.4 0.168 40.3 101.8-105.7 17.4 66.7 44.9 21.9 96 93 A G S S- 0 0 15 -27,-0.7 -78,-0.1 -79,-0.1 3,-0.1 -0.533 81.5-117.5 -96.0 164.6 69.8 43.4 23.6 97 94 A T S S+ 0 0 134 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.899 112.0 24.1 -62.0 -44.2 73.5 44.2 23.3 98 95 A V - 0 0 93 -3,-0.0 -27,-0.7 86,-0.0 -1,-0.2 -0.968 67.3-177.6-120.8 144.0 73.9 40.7 21.9 99 96 A N > + 0 0 23 -2,-0.4 4,-2.5 -29,-0.1 5,-0.2 -0.622 11.1 165.6-139.7 76.1 71.1 38.8 20.3 100 97 A D H > S+ 0 0 33 1,-0.2 4,-1.5 2,-0.2 82,-0.1 0.842 78.7 48.7 -67.8 -38.5 72.4 35.4 19.3 101 98 A F H > S+ 0 0 8 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.925 112.1 50.2 -64.3 -47.0 69.0 33.8 18.7 102 99 A G H >>>S+ 0 0 2 1,-0.2 5,-2.1 2,-0.2 3,-1.5 0.954 110.6 48.1 -53.1 -56.1 68.0 36.8 16.5 103 100 A R H ><5S+ 0 0 56 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.806 105.9 60.0 -57.1 -33.6 71.2 36.6 14.4 104 101 A A H 3<5S+ 0 0 9 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.761 115.3 33.8 -62.6 -28.3 70.6 32.9 14.1 105 102 A L H <<5S- 0 0 3 -3,-1.5 -2,-0.2 -4,-0.9 -1,-0.2 0.276 112.6-115.2-111.5 7.3 67.2 33.7 12.3 106 103 A H T <<5 + 0 0 70 -4,-0.5 -3,-0.2 -3,-0.5 -4,-0.1 0.824 49.6 172.1 61.5 36.2 68.4 36.9 10.5 107 104 A I < - 0 0 7 -5,-2.1 -1,-0.2 -6,-0.1 7,-0.1 -0.632 38.6-112.1 -72.2 128.3 66.0 39.1 12.5 108 105 A P - 0 0 45 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.330 11.9-136.7 -57.8 144.8 66.8 42.8 11.6 109 106 A N S S+ 0 0 122 -16,-0.1 2,-0.5 4,-0.1 -2,-0.0 0.302 81.9 97.3 -86.2 9.0 68.3 44.7 14.6 110 107 A D S > S- 0 0 101 1,-0.1 4,-2.9 2,-0.0 5,-0.2 -0.855 75.5-139.1 -99.5 128.4 66.0 47.5 13.5 111 108 A I H > S+ 0 0 9 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.943 103.6 40.9 -52.4 -57.5 62.7 47.8 15.4 112 109 A X H > S+ 0 0 46 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.800 115.1 54.0 -67.0 -28.5 60.5 48.6 12.5 113 110 A G H > S+ 0 0 11 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.901 109.8 46.2 -67.0 -43.1 62.4 46.0 10.4 114 111 A A H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.869 113.3 50.4 -67.1 -37.1 61.7 43.4 13.1 115 112 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.840 104.5 57.8 -66.8 -35.1 58.1 44.5 13.1 116 113 A D H X S+ 0 0 64 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.895 105.1 51.6 -61.3 -38.7 58.0 44.2 9.3 117 114 A V H X>S+ 0 0 9 -4,-1.5 4,-0.7 2,-0.2 5,-0.5 0.898 112.8 44.5 -63.7 -43.3 59.0 40.5 9.7 118 115 A I H ><5S+ 0 0 2 -4,-1.5 3,-1.3 2,-0.2 -2,-0.2 0.965 113.0 49.7 -64.7 -55.5 56.2 39.9 12.2 119 116 A I H 3<5S+ 0 0 52 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.859 103.8 60.1 -53.6 -39.4 53.5 41.8 10.3 120 117 A E H 3<5S- 0 0 116 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.726 99.9-143.7 -66.6 -23.3 54.4 39.8 7.0 121 118 A G T <<5 + 0 0 35 -3,-1.3 2,-0.4 -4,-0.7 -3,-0.1 0.513 47.1 140.1 81.8 7.9 53.5 36.6 8.9 122 119 A H < - 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