==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JAN-00 1C74 . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR K.SEKAR,M.D.TSAI,M.K.JAIN,S.RAMAKUMAR . 123 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 6 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A >> 0 0 0 0, 0.0 4,-1.9 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 177.3 33.2 3.8 76.8 2 2 A L H 3> + 0 0 62 67,-3.3 4,-2.5 1,-0.3 5,-0.2 0.821 360.0 56.3 -58.3 -35.2 33.3 1.3 74.0 3 3 A W H 3> S+ 0 0 143 66,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.857 108.5 46.6 -71.1 -32.4 32.6 -1.7 76.3 4 4 A Q H <> S+ 0 0 30 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.886 111.7 51.5 -75.4 -38.1 29.4 -0.2 77.7 5 5 A F H X S+ 0 0 31 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.913 107.3 53.1 -63.2 -43.1 28.3 0.7 74.2 6 6 A N H X S+ 0 0 31 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.931 111.0 47.4 -57.1 -44.5 28.9 -2.9 73.0 7 7 A G H X S+ 0 0 17 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.828 106.8 55.2 -67.4 -37.7 26.7 -4.1 75.9 8 8 A M H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.880 109.2 48.5 -62.3 -41.6 23.8 -1.7 75.3 9 9 A I H X S+ 0 0 7 -4,-1.9 4,-3.2 1,-0.2 3,-0.5 0.946 110.4 49.0 -67.3 -44.1 23.5 -2.9 71.8 10 10 A K H < S+ 0 0 63 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.838 105.0 62.8 -63.7 -23.8 23.5 -6.5 72.8 11 11 A a H < S+ 0 0 5 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.904 116.0 29.2 -65.4 -39.9 20.9 -5.5 75.3 12 12 A K H < S+ 0 0 52 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.781 133.5 34.8 -89.8 -29.6 18.6 -4.5 72.5 13 13 A I >< + 0 0 33 -4,-3.2 3,-2.0 -5,-0.2 -1,-0.2 -0.736 67.6 177.1-128.0 79.7 19.9 -7.0 69.9 14 14 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.671 77.4 59.5 -57.5 -21.8 20.9 -10.1 71.9 15 15 A S T 3 S+ 0 0 117 2,-0.0 2,-0.2 -5,-0.0 -5,-0.1 0.518 93.8 91.6 -89.0 -0.2 21.9 -12.1 68.8 16 16 A S < - 0 0 6 -3,-2.0 3,-0.1 -7,-0.1 -3,-0.1 -0.609 59.9-154.9-103.4 154.7 24.5 -9.5 67.8 17 17 A E >> - 0 0 105 -2,-0.2 3,-2.8 1,-0.1 4,-2.8 -0.874 25.8-168.1-113.5 82.6 28.2 -9.0 68.3 18 18 A P H 3> S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.744 80.0 60.6 -53.1 -32.3 28.0 -5.2 67.8 19 19 A L H 34 S+ 0 0 82 2,-0.2 -13,-0.0 1,-0.2 -17,-0.0 0.718 118.2 31.1 -71.2 -14.9 31.7 -4.7 67.5 20 20 A L H <4 S+ 0 0 118 -3,-2.8 -1,-0.2 2,-0.1 3,-0.0 0.814 123.7 44.5-104.5 -44.5 31.7 -7.0 64.5 21 21 A D H < S+ 0 0 62 -4,-2.8 -2,-0.2 1,-0.2 -5,-0.0 0.841 123.9 28.8 -71.3 -37.7 28.2 -6.4 63.0 22 22 A F S < S+ 0 0 19 -4,-2.0 3,-0.4 -5,-0.3 2,-0.3 0.455 92.7 99.5-107.7 -0.8 28.1 -2.6 63.2 23 23 A N S S+ 0 0 70 -5,-0.3 94,-0.3 1,-0.2 7,-0.2 -0.643 91.4 13.8 -84.9 147.4 31.7 -1.5 62.9 24 24 A N S S+ 0 0 87 5,-0.6 93,-3.6 -2,-0.3 2,-0.4 0.967 88.5 142.7 53.9 59.3 32.7 -0.3 59.5 25 25 A Y B > -AB 29 116A 0 4,-2.4 4,-1.7 -3,-0.4 3,-0.4 -1.000 61.1 -29.9-129.8 131.6 29.2 -0.0 58.1 26 26 A G T 4 S- 0 0 7 89,-2.6 97,-0.1 -2,-0.4 96,-0.1 -0.126 100.8 -52.4 60.6-156.3 28.4 2.8 55.7 27 27 A b T 4 S+ 0 0 3 9,-0.1 7,-0.9 95,-0.1 -1,-0.2 0.579 136.0 31.7 -90.4 -13.6 30.1 6.2 55.8 28 28 A Y T 4 S+ 0 0 27 -3,-0.4 2,-1.4 5,-0.2 -2,-0.2 0.679 87.4 93.4-121.3 -25.6 29.5 6.8 59.6 29 29 A c B < S+A 25 0A 7 -4,-1.7 -4,-2.4 -6,-0.1 -5,-0.6 -0.589 88.3 30.0 -81.0 94.4 29.5 3.4 61.6 30 30 A G S S- 0 0 18 -2,-1.4 -7,-0.0 2,-0.3 2,-0.0 -0.832 115.6 -26.3 144.7-178.7 33.1 3.1 62.7 31 31 A L S S- 0 0 125 -2,-0.3 2,-0.1 2,-0.0 -2,-0.0 -0.347 115.4 -6.9 -62.9 136.0 35.7 5.7 63.5 32 32 A G S S- 0 0 44 1,-0.1 -2,-0.3 -2,-0.0 2,-0.1 -0.321 71.3-160.3 76.2-161.8 35.2 9.0 61.8 33 33 A G + 0 0 31 -4,-0.1 2,-0.3 -2,-0.1 -5,-0.2 -0.330 15.3 166.3 146.3 135.1 32.6 9.5 59.1 34 34 A S + 0 0 58 -7,-0.9 2,-0.1 -2,-0.1 12,-0.0 -0.937 39.9 44.8-158.1 169.2 31.7 11.9 56.3 35 35 A G S S- 0 0 30 88,-0.3 88,-0.1 -2,-0.3 87,-0.0 -0.366 96.7 -34.8 88.7-165.4 29.4 12.1 53.3 36 36 A T - 0 0 105 86,-0.3 -9,-0.1 -2,-0.1 -2,-0.1 -0.821 69.1-107.1 -98.4 128.3 25.7 11.4 53.1 37 37 A P - 0 0 16 0, 0.0 6,-0.1 0, 0.0 -11,-0.1 -0.330 24.0-143.1 -52.2 140.4 24.5 8.4 55.2 38 38 A V S S- 0 0 46 1,-0.1 2,-0.3 77,-0.1 -12,-0.1 0.722 72.5 -10.9 -80.0 -25.8 23.8 5.4 52.9 39 39 A D S > S- 0 0 24 76,-0.0 4,-1.8 1,-0.0 5,-0.1 -0.912 85.7 -78.4-158.5-178.5 20.8 4.2 54.8 40 40 A D H > S+ 0 0 100 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.814 125.9 53.6 -64.4 -33.1 18.9 4.6 58.1 41 41 A L H > S+ 0 0 2 69,-0.3 4,-1.7 2,-0.2 3,-0.2 0.948 108.9 50.0 -65.8 -41.7 21.4 2.5 60.1 42 42 A D H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.861 108.6 53.6 -63.5 -33.2 24.2 4.8 58.7 43 43 A R H X S+ 0 0 113 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.847 102.4 56.8 -70.1 -33.8 22.0 7.7 59.8 44 44 A d H X S+ 0 0 3 -4,-1.8 4,-1.9 -3,-0.2 -1,-0.2 0.882 110.0 46.7 -60.7 -40.8 21.8 6.3 63.4 45 45 A c H X S+ 0 0 8 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.844 108.6 53.5 -69.8 -36.3 25.6 6.4 63.4 46 46 A Q H X S+ 0 0 36 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.930 110.1 47.4 -62.5 -49.7 25.7 9.9 62.0 47 47 A T H X S+ 0 0 85 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.910 111.8 51.9 -57.2 -42.7 23.4 11.1 64.8 48 48 A H H X S+ 0 0 17 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.905 108.6 49.6 -62.3 -43.7 25.6 9.2 67.3 49 49 A D H X S+ 0 0 17 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.905 111.2 49.7 -61.5 -42.5 28.8 10.9 66.0 50 50 A N H X S+ 0 0 86 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.877 108.3 53.8 -62.8 -39.1 27.1 14.3 66.3 51 51 A e H X S+ 0 0 28 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.934 108.2 49.1 -62.5 -44.1 26.1 13.4 69.8 52 52 A Y H X S+ 0 0 17 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.867 110.4 50.9 -63.3 -37.7 29.8 12.6 70.7 53 53 A M H X S+ 0 0 82 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.843 110.0 50.0 -66.9 -37.5 30.9 15.9 69.1 54 54 A Q H >X S+ 0 0 88 -4,-2.1 3,-0.8 2,-0.2 4,-0.6 0.901 107.9 53.0 -66.0 -40.2 28.3 17.8 71.2 55 55 A A H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.3 6,-0.4 0.914 103.9 57.9 -60.7 -41.9 29.5 16.0 74.4 56 56 A M H 3< S+ 0 0 119 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.777 99.8 58.1 -58.8 -29.7 33.0 17.2 73.5 57 57 A K H << S+ 0 0 127 -3,-0.8 2,-0.3 -4,-0.8 -1,-0.3 0.618 84.5 104.1 -78.4 -13.9 31.7 20.8 73.5 58 58 A L S XX S- 0 0 46 -3,-1.6 4,-2.0 -4,-0.6 3,-0.8 -0.541 71.5-137.9 -75.7 133.9 30.6 20.5 77.2 59 59 A D T 34 S+ 0 0 127 -2,-0.3 4,-0.3 1,-0.3 -1,-0.1 0.853 104.3 59.0 -53.2 -42.3 32.7 22.1 79.9 60 60 A S T >4 S+ 0 0 52 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.831 108.2 43.2 -58.0 -40.1 32.1 19.1 82.1 61 61 A f G X4 S+ 0 0 15 -3,-0.8 3,-1.6 -6,-0.4 -1,-0.2 0.847 103.2 65.4 -76.8 -36.2 33.7 16.7 79.5 62 62 A K G 3< S+ 0 0 144 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.507 94.4 63.5 -64.2 -6.2 36.6 19.0 78.7 63 63 A V G < S+ 0 0 119 -3,-0.5 -1,-0.3 -4,-0.3 2,-0.2 0.691 92.0 72.5 -89.5 -25.2 37.7 18.5 82.3 64 64 A L S < S- 0 0 61 -3,-1.6 7,-0.0 -4,-0.3 -3,-0.0 -0.603 70.4-146.8 -88.6 149.7 38.3 14.8 81.8 65 65 A V S S+ 0 0 143 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.677 77.7 94.4 -84.7 -18.5 41.3 13.4 79.8 66 66 A D - 0 0 75 4,-0.1 -2,-0.1 2,-0.1 -3,-0.1 -0.597 67.1-147.7 -80.9 125.4 39.1 10.5 78.8 67 67 A N >> - 0 0 75 -2,-0.4 4,-2.0 1,-0.1 3,-1.9 -0.389 38.7 -90.5 -82.0 165.4 37.2 10.7 75.5 68 68 A P T 34 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.786 124.3 59.8 -46.7 -36.8 33.7 9.0 75.0 69 69 A Y T 34 S+ 0 0 70 -68,-0.2 -67,-3.3 1,-0.2 -66,-0.3 0.798 121.5 22.5 -64.6 -31.9 35.3 5.8 73.8 70 70 A T T <4 S+ 0 0 52 -3,-1.9 2,-0.8 -69,-0.3 -1,-0.2 0.424 93.8 108.9-115.4 -5.1 37.3 5.3 77.0 71 71 A N < - 0 0 6 -4,-2.0 2,-0.2 -6,-0.1 -7,-0.0 -0.666 64.3-144.3 -76.4 105.8 35.2 7.3 79.4 72 72 A N + 0 0 82 -2,-0.8 2,-0.3 -69,-0.0 20,-0.1 -0.521 23.8 174.0 -74.7 142.4 33.4 4.7 81.6 73 73 A Y - 0 0 9 -2,-0.2 2,-0.4 -72,-0.1 20,-0.0 -0.898 29.3-109.4-139.6 166.7 29.8 5.2 82.8 74 74 A S + 0 0 48 -2,-0.3 11,-2.4 11,-0.2 2,-0.3 -0.871 45.0 143.0-105.9 137.0 27.3 3.1 84.7 75 75 A Y E -C 84 0B 63 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.959 31.3-138.4-157.3 164.9 24.2 1.7 83.2 76 76 A S E -C 83 0B 63 7,-2.2 7,-2.2 -2,-0.3 2,-0.5 -0.934 3.8-147.4-130.5 157.7 22.1 -1.5 83.4 77 77 A a E +C 82 0B 57 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.997 29.0 164.8-119.3 124.3 20.3 -3.7 80.9 78 78 A S E > -C 81 0B 65 3,-2.4 3,-1.3 -2,-0.5 -2,-0.1 -0.950 69.7 -7.9-146.0 126.1 17.2 -5.3 82.4 79 79 A N T 3 S- 0 0 147 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.913 129.9 -59.7 54.3 38.8 14.4 -7.0 80.4 80 80 A N T 3 S+ 0 0 85 1,-0.2 2,-0.4 -67,-0.0 -1,-0.3 0.770 112.7 125.3 59.7 27.6 16.3 -5.7 77.3 81 81 A E E < -C 78 0B 101 -3,-1.3 -3,-2.4 2,-0.0 2,-0.4 -0.932 53.8-139.2-115.4 142.6 15.8 -2.1 78.6 82 82 A I E -C 77 0B 4 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.874 17.2-174.4-104.5 133.2 18.8 0.3 79.1 83 83 A T E -C 76 0B 83 -7,-2.2 -7,-2.2 -2,-0.4 2,-0.4 -0.988 16.9-144.1-131.0 119.0 18.9 2.6 82.1 84 84 A g E -C 75 0B 39 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.1 -0.673 34.4-109.8 -77.7 133.0 21.7 5.2 82.5 85 85 A S > - 0 0 44 -11,-2.4 3,-1.6 -2,-0.4 -11,-0.2 -0.389 5.0-136.6 -72.2 143.0 22.6 5.6 86.1 86 86 A S T 3 S+ 0 0 128 1,-0.3 -1,-0.1 -2,-0.1 7,-0.1 0.616 102.5 68.9 -69.0 -11.9 21.8 8.7 88.3 87 87 A E T 3 S+ 0 0 133 -13,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.459 72.6 107.9 -86.6 -4.1 25.4 8.4 89.6 88 88 A N S < S- 0 0 19 -3,-1.6 -15,-0.1 -14,-0.2 2,-0.0 -0.603 71.4-129.0 -72.4 136.5 26.9 9.4 86.3 89 89 A N > - 0 0 121 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.283 41.3 -81.5 -78.2 170.9 28.4 12.8 86.5 90 90 A A H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.861 127.2 42.4 -42.5 -56.0 27.3 15.3 83.8 91 91 A f H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.955 117.4 45.9 -58.6 -55.0 29.7 14.2 81.0 92 92 A E H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.858 112.0 53.3 -57.6 -36.7 29.3 10.5 81.6 93 93 A A H X S+ 0 0 39 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.918 109.4 48.4 -66.2 -40.8 25.5 11.0 81.8 94 94 A F H X S+ 0 0 65 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.952 113.6 45.9 -63.6 -48.4 25.6 12.8 78.4 95 95 A I H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.896 109.2 55.3 -61.8 -40.7 27.7 10.1 76.7 96 96 A g H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.917 108.9 48.3 -59.8 -42.0 25.5 7.3 78.2 97 97 A N H X S+ 0 0 77 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.861 109.1 52.2 -67.9 -38.1 22.4 9.0 76.7 98 98 A e H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.938 114.1 45.0 -60.5 -47.4 24.2 9.2 73.3 99 99 A D H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.904 111.7 50.4 -63.6 -44.9 24.9 5.5 73.5 100 100 A R H X S+ 0 0 78 -4,-2.9 4,-1.9 1,-0.2 5,-0.2 0.908 110.1 51.3 -59.8 -45.1 21.5 4.5 74.7 101 101 A N H X S+ 0 0 79 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.921 111.3 46.0 -60.0 -44.5 19.9 6.5 71.8 102 102 A A H X S+ 0 0 4 -4,-1.9 4,-3.4 2,-0.2 5,-0.2 0.920 109.3 55.1 -66.1 -43.3 22.1 4.8 69.1 103 103 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.898 112.7 42.4 -57.6 -43.4 21.6 1.3 70.5 104 104 A I H X S+ 0 0 43 -4,-1.9 4,-0.6 2,-0.2 3,-0.3 0.927 113.0 53.4 -70.8 -41.3 17.8 1.7 70.3 105 105 A d H >X S+ 0 0 47 -4,-2.5 3,-1.8 1,-0.3 4,-0.8 0.948 107.6 51.6 -57.0 -47.2 18.1 3.4 66.9 106 106 A F H >< S+ 0 0 12 -4,-3.4 3,-0.6 1,-0.3 -1,-0.3 0.838 106.2 54.9 -56.3 -39.4 20.1 0.3 65.7 107 107 A S H 3< S+ 0 0 40 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.500 108.1 49.4 -74.4 -6.8 17.4 -2.0 66.9 108 108 A K H << S+ 0 0 169 -3,-1.8 -1,-0.2 -4,-0.6 -2,-0.2 0.517 98.6 71.7-111.2 -7.1 14.7 -0.3 64.9 109 109 A V S << S- 0 0 38 -4,-0.8 2,-0.1 -3,-0.6 0, 0.0 -0.718 84.7 -95.4-111.8 161.7 16.2 -0.0 61.4 110 110 A P - 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