==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOXYLIC ESTER HYDROLASE 28-OCT-91 1BPQ . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.SUNDARALINGAM . 123 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6929.0 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 . 4 3.3 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 . 48 39.0 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 2 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 3 0, 0.0 4,-1.8 0, 0.0 3,-1.7 0.000 360.0 360.0 360.0 164.9 32.9 3.9 76.8 2 2 A L H 3> + 0 0 75 67,-2.5 4,-2.5 1,-0.3 5,-0.1 0.800 360.0 60.1 -57.4 -38.5 32.8 1.5 73.9 3 3 A W H 3> S+ 0 0 191 66,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.843 107.5 46.5 -57.7 -36.2 32.3 -1.6 76.1 4 4 A Q H <> S+ 0 0 11 -3,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.921 109.1 52.8 -78.3 -40.7 29.1 -0.2 77.5 5 5 A F H X S+ 0 0 21 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.901 108.0 53.7 -57.9 -38.3 27.8 0.8 74.1 6 6 A N H X S+ 0 0 27 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.976 110.1 45.8 -58.0 -48.6 28.5 -2.9 73.0 7 7 A G H X S+ 0 0 19 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.862 110.3 55.5 -66.2 -37.1 26.4 -4.2 75.9 8 8 A M H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.905 107.4 47.2 -59.0 -47.6 23.6 -1.7 75.2 9 9 A I H X S+ 0 0 6 -4,-2.1 4,-3.1 1,-0.2 3,-0.5 0.937 110.7 51.2 -65.5 -45.8 23.2 -2.8 71.6 10 10 A K H < S+ 0 0 67 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.872 103.9 62.2 -56.0 -34.9 23.2 -6.5 72.6 11 11 A a H < S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.922 116.6 28.5 -55.0 -43.3 20.5 -5.4 75.2 12 12 A K H < S+ 0 0 48 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.755 133.9 34.1 -90.8 -28.2 18.2 -4.4 72.3 13 13 A I >< + 0 0 31 -4,-3.1 3,-1.8 -5,-0.2 -1,-0.3 -0.725 69.1 179.4-125.9 78.9 19.5 -6.9 69.7 14 14 A P T 3 S+ 0 0 91 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.657 77.1 58.2 -58.8 -18.9 20.5 -10.1 71.7 15 15 A S T 3 S+ 0 0 118 2,-0.0 2,-0.3 -5,-0.0 -5,-0.1 0.426 91.7 92.7 -90.5 -3.2 21.6 -12.0 68.5 16 16 A S < - 0 0 7 -3,-1.8 3,-0.1 -6,-0.1 -3,-0.1 -0.666 62.8-150.3 -96.5 148.5 24.3 -9.5 67.5 17 17 A E >> - 0 0 98 -2,-0.3 4,-2.5 1,-0.1 3,-2.4 -0.863 27.7-164.7-102.4 90.9 28.0 -9.1 68.1 18 18 A P H 3> S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.782 80.9 56.1 -53.1 -37.7 27.8 -5.3 67.8 19 19 A L H 34 S+ 0 0 75 2,-0.2 -13,-0.0 3,-0.2 -17,-0.0 0.655 119.6 34.7 -70.9 -18.6 31.5 -4.6 67.4 20 20 A L H X4 S+ 0 0 112 -3,-2.4 3,-0.7 2,-0.1 -1,-0.2 0.846 123.5 40.7 -95.0 -60.0 31.4 -6.9 64.4 21 21 A D H 3< S+ 0 0 58 -4,-2.5 -2,-0.2 1,-0.2 -5,-0.0 0.905 125.4 32.2 -58.3 -46.9 28.0 -6.2 63.0 22 22 A F T 3< S+ 0 0 20 -4,-2.4 3,-0.4 -5,-0.2 2,-0.4 0.268 95.8 97.5-105.4 10.3 27.8 -2.5 63.4 23 23 A N S < S+ 0 0 59 -3,-0.7 94,-0.2 -5,-0.2 7,-0.2 -0.828 92.0 9.3 -93.3 145.0 31.5 -1.6 62.9 24 24 A N S S+ 0 0 64 5,-0.5 93,-3.1 -2,-0.4 2,-0.4 0.911 90.2 142.0 56.6 55.4 32.6 -0.4 59.5 25 25 A Y B > -AB 29 116A 0 4,-2.1 4,-1.3 -3,-0.4 3,-0.5 -0.975 59.2 -29.1-127.5 133.9 29.1 -0.1 58.0 26 26 A G T 4 S- 0 0 0 89,-2.3 92,-0.1 -2,-0.4 97,-0.1 -0.010 102.3 -50.0 59.8-160.4 28.1 2.7 55.6 27 27 A b T 4 S+ 0 0 4 9,-0.1 7,-0.8 95,-0.1 -1,-0.2 0.651 134.7 27.0 -81.5 -13.2 29.7 6.1 55.7 28 28 A Y T 4 S+ 0 0 20 -3,-0.5 2,-1.0 5,-0.2 -2,-0.2 0.722 85.9 97.1-127.0 -31.8 29.3 6.7 59.6 29 29 A c B < S+A 25 0A 6 -4,-1.3 -4,-2.1 -6,-0.1 -5,-0.5 -0.564 86.6 30.8 -70.2 99.3 29.2 3.5 61.6 30 30 A G S S- 0 0 24 -2,-1.0 2,-0.1 -7,-0.2 -7,-0.1 -0.699 116.3 -30.9 130.1 170.1 32.7 3.2 62.7 31 31 A L S S+ 0 0 144 -2,-0.2 2,-0.1 2,-0.0 -2,-0.0 -0.373 117.4 4.3 -61.0 127.7 35.5 5.6 63.6 32 32 A G - 0 0 49 1,-0.1 -2,-0.2 -2,-0.1 2,-0.2 -0.312 66.3-161.8 83.4-174.8 34.9 8.6 61.4 33 33 A G + 0 0 36 -2,-0.1 2,-0.3 -4,-0.1 -5,-0.2 -0.546 12.6 165.4 161.5 141.0 32.1 9.4 59.1 34 34 A S + 0 0 65 -7,-0.8 2,-0.0 -2,-0.2 12,-0.0 -0.968 42.8 25.3-158.3 161.2 31.6 11.8 56.2 35 35 A G S S- 0 0 35 -2,-0.3 88,-0.1 88,-0.1 87,-0.0 -0.289 100.3 -23.4 84.1-157.7 29.2 12.4 53.3 36 36 A T - 0 0 106 87,-0.6 -9,-0.1 86,-0.3 -2,-0.1 -0.794 69.7-108.1-101.4 130.4 25.6 11.3 53.0 37 37 A P - 0 0 15 0, 0.0 3,-0.1 0, 0.0 -11,-0.1 -0.274 22.0-143.3 -50.5 139.1 24.3 8.3 55.1 38 38 A V S S- 0 0 45 1,-0.1 2,-0.2 77,-0.1 -12,-0.1 0.801 72.3 -16.7 -80.6 -28.2 23.7 5.4 52.8 39 39 A D S > S- 0 0 23 76,-0.0 4,-1.9 71,-0.0 5,-0.1 -0.875 86.0 -72.1-156.4-169.8 20.6 4.1 54.7 40 40 A D H > S+ 0 0 99 -2,-0.2 4,-2.0 2,-0.2 5,-0.1 0.870 125.7 52.8 -67.0 -36.6 18.7 4.5 58.0 41 41 A L H > S+ 0 0 1 69,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.929 110.0 49.0 -60.7 -42.6 21.3 2.5 60.0 42 42 A D H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 107.5 55.1 -65.3 -35.4 24.0 4.7 58.7 43 43 A R H X S+ 0 0 119 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.891 104.4 54.4 -66.8 -36.7 21.8 7.7 59.7 44 44 A d H X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.922 109.6 48.3 -58.5 -44.5 21.6 6.2 63.3 45 45 A c H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.868 108.2 52.9 -65.0 -39.6 25.4 6.2 63.2 46 46 A Q H X S+ 0 0 36 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.947 110.3 48.2 -58.7 -49.4 25.5 9.8 61.9 47 47 A T H X S+ 0 0 87 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.957 112.0 50.0 -55.7 -46.5 23.2 11.0 64.8 48 48 A H H X S+ 0 0 16 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.886 109.3 50.4 -59.6 -40.9 25.4 9.1 67.3 49 49 A D H X S+ 0 0 18 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.909 111.9 48.7 -63.1 -44.3 28.6 10.7 65.9 50 50 A N H X S+ 0 0 83 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.872 109.1 52.6 -65.4 -33.6 26.9 14.1 66.2 51 51 A e H X S+ 0 0 28 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.963 109.8 48.9 -68.1 -46.0 25.9 13.3 69.8 52 52 A Y H X S+ 0 0 12 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.924 110.2 51.1 -59.5 -40.7 29.5 12.4 70.6 53 53 A K H X S+ 0 0 96 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.933 110.7 48.4 -60.0 -45.3 30.7 15.7 69.0 54 54 A Q H >X S+ 0 0 95 -4,-2.3 4,-0.6 1,-0.2 3,-0.6 0.917 109.4 54.1 -62.4 -39.6 28.1 17.6 71.1 55 55 A A H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 6,-0.4 0.927 104.1 54.5 -59.9 -42.9 29.4 15.7 74.3 56 56 A M H 3< S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.755 102.6 58.5 -69.7 -16.7 33.0 16.7 73.6 57 57 A K H << S+ 0 0 118 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.683 84.6 101.2 -80.0 -15.6 31.9 20.3 73.5 58 58 A L S S+ 0 0 122 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.914 108.0 58.2 -49.8 -43.4 32.5 21.7 79.9 60 60 A S H 4 S+ 0 0 56 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.908 111.1 41.2 -51.3 -45.9 31.9 18.6 82.0 61 61 A f H >4 S+ 0 0 12 -3,-0.4 3,-1.8 -6,-0.4 -2,-0.2 0.911 107.1 62.4 -73.1 -36.5 33.5 16.4 79.3 62 62 A K H 3< S+ 0 0 118 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.774 98.1 58.4 -61.9 -26.6 36.3 18.9 78.6 63 63 A V T 3< S+ 0 0 123 -4,-1.4 2,-0.3 -3,-0.3 -1,-0.3 0.743 93.8 84.4 -69.8 -25.2 37.6 18.5 82.1 64 64 A L < - 0 0 63 -3,-1.8 7,-0.1 -4,-0.4 -3,-0.0 -0.637 66.9-149.3 -94.4 134.7 38.1 14.7 81.7 65 65 A V S S+ 0 0 151 -2,-0.3 -1,-0.1 2,-0.0 6,-0.1 0.930 80.2 87.0 -53.7 -51.3 41.1 13.0 80.2 66 66 A D - 0 0 65 4,-0.1 -2,-0.1 1,-0.1 0, 0.0 -0.169 68.8-149.3 -50.7 142.6 38.8 10.3 78.9 67 67 A N >> - 0 0 77 1,-0.0 4,-2.6 -5,-0.0 3,-1.0 -0.603 40.3 -88.2-103.2 173.3 37.0 10.7 75.6 68 68 A P T 34 S+ 0 0 8 0, 0.0 -2,-0.1 0, 0.0 -16,-0.0 0.755 127.2 56.7 -57.5 -20.2 33.5 9.1 74.8 69 69 A Y T 34 S+ 0 0 87 -68,-0.2 -67,-2.5 1,-0.1 -66,-0.3 0.839 120.6 25.6 -80.1 -31.1 35.2 5.9 73.7 70 70 A T T <4 S+ 0 0 76 -3,-1.0 2,-0.9 -69,-0.2 -1,-0.1 0.615 91.4 107.9-105.8 -12.0 37.1 5.3 77.0 71 71 A N < - 0 0 7 -4,-2.6 2,-0.1 -6,-0.1 -7,-0.0 -0.463 61.7-149.3 -71.7 101.0 34.8 7.2 79.5 72 72 A N + 0 0 94 -2,-0.9 2,-0.3 -68,-0.0 20,-0.1 -0.510 23.1 171.4 -69.3 138.7 33.1 4.4 81.5 73 73 A Y - 0 0 14 -2,-0.1 2,-0.4 -72,-0.1 20,-0.0 -0.889 30.1-104.5-134.3 176.9 29.6 5.3 82.7 74 74 A S + 0 0 57 -2,-0.3 11,-2.5 11,-0.2 2,-0.3 -0.867 44.1 143.3-118.7 142.5 27.0 3.1 84.4 75 75 A Y E -C 84 0B 59 -2,-0.4 2,-0.4 9,-0.3 9,-0.2 -0.959 31.7-132.3-153.8 162.7 23.8 1.7 83.0 76 76 A S E -C 83 0B 58 7,-2.5 7,-2.1 -2,-0.3 2,-0.5 -0.965 1.2-151.9-122.9 148.9 21.7 -1.4 83.3 77 77 A a E +C 82 0B 57 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.963 29.1 162.8-100.1 129.6 20.1 -3.7 80.7 78 78 A S E > -C 81 0B 72 3,-2.0 3,-1.6 -2,-0.5 -2,-0.1 -0.938 69.8 -7.9-147.5 125.1 17.0 -5.4 82.3 79 79 A N T 3 S- 0 0 155 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.911 129.1 -58.6 55.8 40.7 14.2 -7.1 80.2 80 80 A N T 3 S+ 0 0 86 1,-0.2 2,-0.4 -67,-0.0 -1,-0.3 0.742 112.9 116.8 57.9 26.9 15.9 -5.7 77.1 81 81 A E E < -C 78 0B 69 -3,-1.6 -3,-2.0 2,-0.0 2,-0.5 -0.969 56.7-135.3-124.8 152.5 15.7 -2.1 78.1 82 82 A I E -C 77 0B 2 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.815 17.8-177.5-107.7 129.3 18.4 0.3 78.9 83 83 A T E -C 76 0B 81 -7,-2.1 -7,-2.5 -2,-0.5 2,-0.2 -0.996 18.9-143.1-128.7 125.5 18.5 2.7 81.8 84 84 A g E -C 75 0B 39 -2,-0.4 -9,-0.3 -9,-0.2 2,-0.2 -0.606 33.9-109.6 -79.1 144.5 21.3 5.2 82.3 85 85 A S > - 0 0 41 -11,-2.5 3,-1.4 -2,-0.2 -11,-0.2 -0.577 2.9-138.2 -86.3 142.4 22.2 5.5 86.0 86 86 A S T 3 S+ 0 0 111 -2,-0.2 -1,-0.1 1,-0.2 7,-0.1 0.705 102.2 72.4 -59.5 -20.6 21.6 8.6 88.2 87 87 A E T 3 S+ 0 0 152 -13,-0.0 -1,-0.2 2,-0.0 6,-0.1 0.756 74.7 106.4 -68.6 -17.7 25.1 8.0 89.6 88 88 A N S < S- 0 0 17 -3,-1.4 2,-0.1 -14,-0.2 -15,-0.1 -0.363 71.7-127.9 -63.5 133.0 26.6 9.2 86.3 89 89 A N > - 0 0 109 -2,-0.0 4,-2.9 1,-0.0 5,-0.3 -0.283 41.1 -88.0 -68.4 168.3 28.2 12.7 86.3 90 90 A A H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.883 125.7 44.6 -56.9 -44.1 27.1 15.2 83.6 91 91 A f H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.969 116.6 44.5 -64.3 -50.2 29.6 14.1 80.9 92 92 A E H > S+ 0 0 33 1,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.859 112.2 54.0 -69.2 -28.1 29.1 10.4 81.4 93 93 A A H X S+ 0 0 38 -4,-2.9 4,-1.9 2,-0.2 -1,-0.3 0.874 107.8 49.3 -72.6 -34.9 25.3 10.8 81.6 94 94 A F H X S+ 0 0 67 -4,-1.9 4,-2.3 -3,-0.3 -2,-0.2 0.955 112.7 48.1 -69.6 -43.3 25.3 12.7 78.2 95 95 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.945 108.4 54.1 -61.2 -41.6 27.4 9.9 76.7 96 96 A g H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.888 108.7 49.4 -60.1 -39.5 25.1 7.3 78.1 97 97 A N H X S+ 0 0 78 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.932 109.1 52.1 -67.5 -43.6 22.1 9.0 76.5 98 98 A e H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.925 113.8 44.3 -51.2 -50.9 23.9 9.1 73.1 99 99 A D H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.870 111.6 51.7 -67.5 -39.4 24.6 5.4 73.3 100 100 A R H X S+ 0 0 61 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.943 110.8 48.5 -63.1 -45.2 21.2 4.4 74.5 101 101 A N H X S+ 0 0 80 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.927 111.9 49.8 -63.9 -42.4 19.6 6.4 71.6 102 102 A A H X S+ 0 0 3 -4,-2.4 4,-3.1 -5,-0.2 -1,-0.2 0.934 108.8 51.5 -61.1 -44.7 21.9 4.8 69.1 103 103 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.937 112.9 45.6 -59.7 -43.0 21.2 1.2 70.4 104 104 A I H X S+ 0 0 44 -4,-2.3 4,-0.6 2,-0.2 3,-0.4 0.970 112.0 50.6 -62.1 -52.1 17.5 1.8 70.1 105 105 A d H >X S+ 0 0 46 -4,-2.8 3,-1.8 1,-0.2 4,-0.7 0.951 108.7 54.5 -51.6 -47.0 17.8 3.4 66.6 106 106 A F H >< S+ 0 0 11 -4,-3.1 3,-0.8 1,-0.3 -1,-0.2 0.886 107.4 49.4 -54.0 -41.2 19.9 0.3 65.6 107 107 A S H 3< S+ 0 0 28 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.470 110.6 50.7 -75.9 -11.0 17.2 -2.2 66.7 108 108 A K H << S+ 0 0 153 -3,-1.8 -1,-0.2 -4,-0.6 -2,-0.2 0.479 100.2 67.9-109.7 -0.7 14.4 -0.3 64.8 109 109 A V S << S- 0 0 35 -3,-0.8 2,-0.0 -4,-0.7 0, 0.0 -0.812 88.1 -93.0-120.7 158.6 16.0 0.0 61.3 110 110 A P - 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