==== 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 TRANSFERASE 07-AUG-07 2QV7 . COMPND 2 MOLECULE: DIACYLGLYCEROL KINASE DGKB; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR D.J.MILLER,A.JERGA,C.O.ROCK,S.W.WHITE . 303 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 21.5 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 . 4 1.3 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 . 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 . 35 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 1 0 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 1 5 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 -3 A G 0 0 137 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -40.7 42.3 47.5 3.0 2 -2 A S + 0 0 99 1,-0.1 34,-0.1 35,-0.0 3,-0.0 -0.813 360.0 160.2-139.8 93.2 41.2 44.7 5.4 3 -1 A H + 0 0 112 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.559 59.8 35.1 -96.6 -12.3 42.6 41.4 4.4 4 0 A X S S- 0 0 66 3,-0.0 3,-0.1 32,-0.0 2,-0.1 -0.975 82.0 -99.0-144.3 154.1 42.2 39.4 7.6 5 1 A X - 0 0 171 -2,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.401 63.5 -78.0 -65.3 149.8 39.9 38.9 10.6 6 2 A R - 0 0 132 -2,-0.1 2,-0.2 32,-0.1 32,-0.2 -0.214 54.0-166.3 -56.2 134.0 41.0 40.8 13.8 7 3 A K E -a 38 0A 45 30,-2.8 32,-3.2 -3,-0.1 2,-0.5 -0.722 15.8-120.8-118.4 169.8 43.9 39.1 15.7 8 4 A R E -a 39 0A 65 -2,-0.2 56,-2.0 30,-0.2 57,-1.8 -0.954 25.4-177.8-119.2 127.4 45.4 39.5 19.2 9 5 A A E -ab 40 65A 0 30,-2.7 32,-2.2 -2,-0.5 2,-0.5 -0.964 9.6-163.7-124.0 142.0 49.0 40.4 19.9 10 6 A R E -ab 41 66A 40 55,-1.9 57,-3.1 -2,-0.4 2,-0.5 -0.989 9.2-153.4-123.8 122.8 50.8 40.8 23.2 11 7 A I E -ab 42 67A 0 30,-3.1 32,-2.6 -2,-0.5 2,-0.6 -0.847 6.8-169.2 -94.1 124.7 54.2 42.6 23.4 12 8 A I E +ab 43 68A 0 55,-3.2 57,-2.6 -2,-0.5 2,-0.4 -0.963 20.5 177.7-111.4 111.4 56.4 41.5 26.3 13 9 A Y E -ab 44 69A 17 30,-2.7 32,-2.4 -2,-0.6 57,-0.2 -0.937 33.5-144.6-125.3 143.9 59.3 44.0 26.4 14 10 A N > - 0 0 38 55,-2.0 3,-1.4 -2,-0.4 8,-0.2 -0.912 12.7-161.1 -97.1 109.6 62.3 44.6 28.6 15 11 A P T 3 S+ 0 0 35 0, 0.0 8,-0.2 0, 0.0 -1,-0.1 0.632 90.8 52.7 -67.6 -14.3 62.8 48.4 28.8 16 12 A T T 3 S+ 0 0 90 29,-0.1 2,-0.1 6,-0.1 54,-0.1 0.352 82.7 125.2 -99.6 2.2 66.4 48.0 29.9 17 13 A S S X S- 0 0 10 -3,-1.4 3,-2.7 52,-0.2 4,-0.4 -0.401 79.2 -42.7 -69.6 135.3 67.3 45.7 27.0 18 14 A G T 3 S- 0 0 27 1,-0.3 79,-0.2 2,-0.1 80,-0.2 -0.211 132.0 -3.4 55.3-119.7 70.3 46.6 24.7 19 15 A K T 3 S- 0 0 164 77,-0.3 -1,-0.3 78,-0.2 -2,-0.1 0.439 94.2-122.6 -83.7 -2.2 70.3 50.4 23.9 20 16 A E S < S+ 0 0 107 -3,-2.7 4,-0.2 76,-0.4 -2,-0.1 0.842 73.5 128.8 64.6 37.9 67.0 50.8 25.8 21 17 A Q >> + 0 0 109 -4,-0.4 4,-0.8 75,-0.2 3,-0.7 0.744 43.6 78.7 -94.6 -29.3 65.4 52.2 22.7 22 18 A F H >> S+ 0 0 6 -5,-0.3 3,-1.3 1,-0.2 4,-0.9 0.835 81.6 62.8 -57.4 -43.9 62.2 50.1 22.4 23 19 A K H >4 S+ 0 0 124 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.871 104.9 47.7 -52.5 -44.4 60.0 51.8 25.0 24 20 A R H <4 S+ 0 0 218 -3,-0.7 -1,-0.3 1,-0.2 4,-0.2 0.706 112.6 50.3 -68.1 -23.4 60.0 55.1 23.1 25 21 A E H S+ 0 0 78 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.868 113.6 43.4 -57.9 -35.0 53.5 53.8 20.4 28 24 A D H > S+ 0 0 87 -3,-0.4 4,-1.8 -4,-0.2 -2,-0.2 0.786 111.2 54.4 -79.1 -30.1 54.6 53.7 16.7 29 25 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.847 107.7 51.1 -66.6 -37.4 55.0 49.9 16.9 30 26 A L H X S+ 0 0 50 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.918 107.6 52.7 -65.6 -44.2 51.4 49.7 18.2 31 27 A I H X S+ 0 0 88 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.935 110.4 47.8 -55.1 -50.3 50.2 51.8 15.3 32 28 A K H X S+ 0 0 58 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.869 114.2 45.3 -60.7 -43.6 51.9 49.5 12.7 33 29 A L H <>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 -1,-0.2 0.890 112.4 51.5 -70.1 -39.3 50.5 46.3 14.3 34 30 A E H ><5S+ 0 0 69 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.865 107.6 51.9 -64.4 -39.7 47.0 47.7 14.6 35 31 A K H 3<5S+ 0 0 178 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.802 107.2 54.9 -66.5 -28.7 47.0 48.8 10.9 36 32 A A T 3<5S- 0 0 37 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.405 130.4 -95.7 -83.6 -2.3 48.0 45.2 10.1 37 33 A G T < 5S+ 0 0 17 -3,-1.2 -30,-2.8 1,-0.2 2,-0.6 0.583 80.6 131.4 102.3 13.3 45.0 43.9 12.0 38 34 A Y E < -a 7 0A 18 -5,-2.5 2,-0.9 -32,-0.2 -1,-0.2 -0.882 52.0-143.9-104.5 115.6 46.4 43.1 15.5 39 35 A E E -a 8 0A 87 -32,-3.2 -30,-2.7 -2,-0.6 2,-0.5 -0.686 38.8-160.7 -67.1 108.6 44.7 44.3 18.6 40 36 A T E +a 9 0A 16 -2,-0.9 2,-0.3 -32,-0.2 -30,-0.2 -0.862 23.6 171.6-115.5 126.2 48.0 44.9 20.4 41 37 A S E -a 10 0A 34 -32,-2.2 -30,-3.1 -2,-0.5 2,-0.3 -0.798 17.0-144.9-121.9 167.9 48.7 45.3 24.1 42 38 A A E -a 11 0A 36 -2,-0.3 2,-0.4 -32,-0.2 -30,-0.2 -0.958 10.5-162.2-139.7 150.8 52.0 45.5 26.0 43 39 A Y E -a 12 0A 45 -32,-2.6 -30,-2.7 -2,-0.3 2,-0.5 -0.996 12.8-149.5-134.3 130.1 53.7 44.5 29.2 44 40 A A E -a 13 0A 34 -2,-0.4 -30,-0.2 -32,-0.2 2,-0.1 -0.877 16.7-135.2-101.3 123.2 56.9 46.0 30.6 45 41 A T - 0 0 11 -32,-2.4 3,-0.1 -2,-0.5 -29,-0.1 -0.379 17.6-174.1 -69.9 152.8 59.2 43.7 32.7 46 42 A E - 0 0 167 1,-0.3 2,-0.3 -32,-0.1 -1,-0.1 0.561 63.9 -1.9-118.8 -23.0 60.7 45.1 35.9 47 43 A K S > S- 0 0 133 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.947 93.9 -50.6-158.3 171.7 63.0 42.2 36.9 48 44 A I T 3 S+ 0 0 146 -2,-0.3 -2,-0.0 1,-0.2 26,-0.0 -0.271 121.5 18.9 -47.8 132.0 64.4 38.8 36.2 49 45 A G T 3> S+ 0 0 22 1,-0.0 4,-2.3 -3,-0.0 3,-0.3 0.181 89.4 109.4 91.0 -18.0 61.6 36.3 35.6 50 46 A D H <> S+ 0 0 4 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 0.896 77.4 53.5 -58.7 -42.5 58.9 38.9 34.8 51 47 A A H > S+ 0 0 2 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.845 109.3 49.7 -61.6 -35.5 58.8 37.9 31.1 52 48 A T H > S+ 0 0 27 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.938 110.8 48.5 -65.6 -49.3 58.2 34.3 32.2 53 49 A L H X S+ 0 0 76 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.879 113.0 48.5 -59.5 -40.5 55.4 35.2 34.5 54 50 A E H X S+ 0 0 5 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.915 109.3 51.5 -66.5 -44.5 53.7 37.3 31.8 55 51 A A H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.862 109.1 52.4 -60.1 -37.2 54.0 34.6 29.2 56 52 A E H < S+ 0 0 73 -4,-2.1 3,-0.4 2,-0.2 4,-0.4 0.916 111.7 45.0 -63.5 -46.8 52.4 32.2 31.6 57 53 A R H >< S+ 0 0 107 -4,-2.0 3,-1.8 1,-0.2 4,-0.2 0.904 107.5 59.1 -58.6 -46.5 49.5 34.6 32.2 58 54 A A H ><>S+ 0 0 1 -4,-2.8 3,-1.3 1,-0.3 5,-0.5 0.727 91.0 71.1 -59.5 -25.5 49.2 35.2 28.4 59 55 A X T 3<5S+ 0 0 39 -4,-1.0 3,-0.4 -3,-0.4 -1,-0.3 0.762 100.6 45.4 -60.0 -30.0 48.6 31.5 27.9 60 56 A H T < 5S+ 0 0 176 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.393 102.4 70.0 -92.1 1.3 45.1 31.9 29.4 61 57 A E T < 5S- 0 0 74 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.234 100.1-120.2-112.9 11.4 44.3 35.1 27.4 62 58 A N T 5 + 0 0 128 -3,-0.4 2,-0.3 1,-0.2 -3,-0.1 0.929 43.8 174.8 53.8 61.1 43.9 33.7 23.9 63 59 A Y < - 0 0 23 -5,-0.5 -1,-0.2 1,-0.1 -54,-0.2 -0.764 31.5-155.0 -96.8 145.5 46.7 35.5 21.9 64 60 A D S S+ 0 0 75 -56,-2.0 26,-2.1 -2,-0.3 2,-0.4 0.839 83.9 17.4 -80.0 -38.4 47.5 34.8 18.3 65 61 A V E -bc 9 90A 0 -57,-1.8 -55,-1.9 24,-0.2 2,-0.5 -0.995 57.5-156.0-138.0 141.6 51.1 36.1 18.8 66 62 A L E -bc 10 91A 0 24,-2.7 26,-2.7 -2,-0.4 2,-0.7 -0.986 19.3-157.0-108.4 117.8 53.4 36.9 21.6 67 63 A I E -bc 11 92A 0 -57,-3.1 -55,-3.2 -2,-0.5 2,-0.6 -0.879 1.9-158.7 -99.1 116.4 56.0 39.4 20.6 68 64 A A E -bc 12 93A 0 24,-3.0 26,-2.7 -2,-0.7 2,-0.7 -0.860 7.0-171.4 -97.2 116.3 59.2 39.3 22.6 69 65 A A E +bc 13 94A 0 -57,-2.6 -55,-2.0 -2,-0.6 2,-0.3 -0.885 50.8 53.0-113.2 98.7 61.1 42.6 22.5 70 66 A G E S- c 0 95A 0 24,-1.8 27,-0.8 -2,-0.7 26,-0.7 -0.971 86.2 -50.2 165.9-168.7 64.5 42.2 24.1 71 67 A G > - 0 0 10 25,-0.3 4,-2.1 -2,-0.3 3,-0.2 0.063 69.9 -74.5 -82.1-165.7 67.7 40.1 24.1 72 68 A D H > S+ 0 0 10 27,-0.9 4,-3.0 1,-0.2 5,-0.1 0.815 130.4 58.7 -61.7 -33.4 68.2 36.4 24.3 73 69 A G H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 107.0 46.2 -63.3 -42.1 67.3 36.5 28.1 74 70 A T H > S+ 0 0 9 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.913 114.5 47.6 -66.2 -45.2 63.9 38.0 27.3 75 71 A L H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.926 111.7 51.2 -60.2 -47.3 63.3 35.4 24.6 76 72 A N H X S+ 0 0 28 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.902 111.2 48.0 -53.6 -47.0 64.5 32.6 26.9 77 73 A E H X S+ 0 0 34 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.897 111.5 48.9 -65.8 -41.9 62.1 33.8 29.6 78 74 A V H >X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 3,-0.7 0.927 111.7 49.1 -62.9 -46.2 59.1 34.0 27.2 79 75 A V H >X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 3,-0.8 0.899 105.9 57.9 -59.8 -42.8 59.8 30.5 25.8 80 76 A N H 3< S+ 0 0 31 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.754 105.9 50.8 -57.3 -28.3 60.0 29.2 29.4 81 77 A G H << S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.724 120.3 31.4 -82.2 -23.8 56.5 30.5 30.0 82 78 A I H X< S+ 0 0 1 -4,-1.0 3,-1.7 -3,-0.8 -2,-0.2 0.588 85.8 124.9-110.2 -16.5 54.9 28.9 26.9 83 79 A A T 3< S+ 0 0 5 -4,-2.5 198,-0.0 1,-0.2 53,-0.0 -0.185 82.6 1.3 -55.5 134.2 56.9 25.7 26.4 84 80 A E T 3 S+ 0 0 80 1,-0.2 -1,-0.2 196,-0.1 -4,-0.0 0.581 98.6 127.6 65.8 18.0 55.0 22.4 26.3 85 81 A K < - 0 0 67 -3,-1.7 3,-0.5 1,-0.0 -1,-0.2 -0.820 63.2-109.8-103.8 140.9 51.6 24.1 26.7 86 82 A P S S+ 0 0 102 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.342 96.6 20.8 -67.3 151.9 48.7 23.5 24.3 87 83 A N S S- 0 0 159 1,-0.2 -25,-0.1 -25,-0.0 0, 0.0 0.895 81.7-171.2 56.5 48.4 47.6 26.3 21.9 88 84 A R - 0 0 86 -3,-0.5 -1,-0.2 1,-0.1 2,-0.1 -0.459 21.6-120.8 -65.9 136.5 50.9 28.2 22.0 89 85 A P - 0 0 10 0, 0.0 -24,-0.2 0, 0.0 193,-0.2 -0.445 34.8 -97.5 -72.1 154.8 50.8 31.6 20.4 90 86 A K E -c 65 0A 73 -26,-2.1 -24,-2.7 -2,-0.1 2,-0.5 -0.393 41.9-120.0 -66.9 152.1 53.3 32.2 17.5 91 87 A L E -cd 66 283A 1 191,-2.7 193,-2.5 -26,-0.2 2,-0.4 -0.855 22.4-164.9-103.7 129.6 56.5 34.0 18.6 92 88 A G E -c 67 0A 0 -26,-2.7 -24,-3.0 -2,-0.5 2,-0.5 -0.925 11.9-147.9-107.9 138.6 57.5 37.3 17.2 93 89 A V E +c 68 0A 3 -2,-0.4 -24,-0.2 191,-0.3 26,-0.1 -0.927 20.0 178.1-112.6 122.7 61.1 38.5 17.8 94 90 A I E -c 69 0A 0 -26,-2.7 2,-2.0 -2,-0.5 -24,-1.8 -0.941 27.5-144.7-113.5 104.6 62.2 42.1 18.1 95 91 A P E +c 70 0A 5 0, 0.0 -24,-0.2 0, 0.0 -26,-0.1 -0.438 42.0 149.3 -78.2 80.1 66.0 41.8 18.8 96 92 A X + 0 0 22 -2,-2.0 -76,-0.4 -26,-0.7 -25,-0.3 0.271 38.1 110.2 -94.3 10.0 66.5 44.7 21.2 97 93 A G S S- 0 0 13 -27,-0.8 -78,-0.2 -79,-0.2 3,-0.1 -0.146 79.5-117.7 -82.1 174.9 69.3 43.0 23.1 98 94 A T S S+ 0 0 129 1,-0.3 2,-0.4 -80,-0.2 -1,-0.1 0.882 111.9 23.7 -74.1 -43.7 73.1 43.7 23.4 99 95 A V - 0 0 54 -81,-0.0 -27,-0.9 4,-0.0 -1,-0.3 -0.964 67.9-174.3-119.2 140.4 73.5 40.2 21.9 100 96 A N > + 0 0 19 -2,-0.4 4,-2.4 -29,-0.2 5,-0.2 -0.583 19.9 155.1-134.3 71.2 70.8 38.5 19.8 101 97 A D H > S+ 0 0 7 2,-0.2 4,-1.6 1,-0.2 91,-0.2 0.869 78.1 46.8 -67.8 -40.3 72.1 35.0 19.1 102 98 A F H > S+ 0 0 6 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.912 113.1 50.0 -67.0 -44.5 68.6 33.6 18.5 103 99 A G H 4>S+ 0 0 1 1,-0.2 5,-2.8 2,-0.2 3,-0.4 0.902 110.4 49.8 -57.3 -45.6 67.6 36.5 16.3 104 100 A R H ><5S+ 0 0 105 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.853 105.8 57.5 -62.9 -37.5 70.8 36.1 14.2 105 101 A A H 3<5S+ 0 0 16 -4,-1.6 -1,-0.2 1,-0.2 188,-0.2 0.796 113.9 38.4 -62.1 -31.6 70.1 32.4 13.8 106 102 A L T 3<5S- 0 0 3 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.280 112.2-117.6-103.4 8.6 66.7 33.2 12.2 107 103 A H T < 5 + 0 0 82 -3,-1.0 -3,-0.2 1,-0.2 -4,-0.1 0.814 48.4 175.6 56.0 35.7 68.0 36.2 10.2 108 104 A I < - 0 0 7 -5,-2.8 -1,-0.2 -6,-0.1 7,-0.1 -0.562 37.1-109.1 -69.6 127.6 65.6 38.5 12.2 109 105 A P - 0 0 39 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.325 18.9-134.9 -59.3 141.8 66.3 42.1 11.1 110 106 A N S S+ 0 0 116 -16,-0.1 2,-0.3 4,-0.1 -2,-0.0 0.369 80.2 83.0 -85.7 3.9 68.0 44.2 13.8 111 107 A D S > S- 0 0 94 1,-0.1 4,-2.3 -15,-0.0 5,-0.2 -0.826 81.7-125.1-105.5 151.5 65.8 47.2 13.4 112 108 A I H > S+ 0 0 13 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.918 107.5 43.8 -61.2 -50.6 62.3 47.5 15.0 113 109 A X H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.853 114.4 50.8 -67.9 -35.7 60.2 48.2 11.9 114 110 A G H > S+ 0 0 10 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.882 110.4 49.3 -65.2 -41.4 62.0 45.5 9.9 115 111 A A H X S+ 0 0 1 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.881 112.4 48.9 -63.4 -38.7 61.4 43.0 12.7 116 112 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.860 105.1 57.7 -68.2 -38.2 57.8 44.1 12.7 117 113 A D H X S+ 0 0 66 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.880 105.4 51.8 -56.2 -40.6 57.6 43.7 8.9 118 114 A V H X>S+ 0 0 11 -4,-1.5 4,-0.8 2,-0.2 5,-0.5 0.883 111.8 45.3 -65.3 -41.8 58.6 40.1 9.4 119 115 A I H <5S+ 0 0 2 -4,-1.4 3,-0.3 2,-0.2 -2,-0.2 0.910 113.5 49.6 -67.4 -43.6 55.9 39.4 12.0 120 116 A I H <5S+ 0 0 53 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.880 103.3 58.1 -66.7 -40.7 53.2 41.2 9.9 121 117 A E H <5S- 0 0 99 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.779 101.2-146.6 -61.4 -28.0 54.1 39.3 6.7 122 118 A G T <5 + 0 0 29 -4,-0.8 2,-0.4 -3,-0.3 -3,-0.1 0.536 43.7 144.2 81.6 10.5 53.3 36.2 8.8 123 119 A H < - 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