==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOXYLIC ESTER HYDROLASE ZYMOGEN 07-SEP-90 4BP2 . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.C.FINZEL,P.C.WEBER,D.H.OHLENDORF,F.R.SALEMME . 117 2 7 2 5 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7175.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 60.7 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 7.7 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 . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 36.8 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 1 0 1 0 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 54 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -50.2 33.9 3.0 76.3 2 2 A L H > + 0 0 107 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.909 360.0 57.4 -72.3 -36.2 33.8 1.2 73.0 3 3 A W H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.764 107.2 46.8 -62.9 -32.3 33.3 -1.9 75.3 4 4 A Q H > S+ 0 0 24 2,-0.2 4,-2.5 3,-0.1 -1,-0.2 0.885 111.1 49.8 -77.9 -41.2 30.2 -0.2 76.7 5 5 A F H X S+ 0 0 20 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.906 110.0 52.1 -59.4 -47.3 28.7 0.8 73.4 6 6 A N H X S+ 0 0 29 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.952 111.4 47.9 -52.3 -45.6 29.3 -2.8 72.1 7 7 A G H X S+ 0 0 17 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.906 108.1 53.7 -64.1 -41.0 27.4 -4.1 75.2 8 8 A M H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.921 108.5 49.9 -60.7 -44.3 24.5 -1.6 74.7 9 9 A I H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.920 109.4 50.6 -59.3 -47.8 24.0 -2.8 71.2 10 10 A K H < S+ 0 0 71 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.798 102.9 61.9 -57.5 -29.7 24.0 -6.5 72.3 11 11 A a H < S+ 0 0 5 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.918 115.7 32.4 -61.4 -41.4 21.4 -5.5 75.0 12 12 A K H < S+ 0 0 60 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.819 132.3 31.3 -85.4 -27.5 19.1 -4.5 72.0 13 13 A I >< + 0 0 33 -4,-2.7 3,-1.8 -5,-0.2 -1,-0.3 -0.769 68.1 179.8-131.9 86.3 20.2 -7.1 69.5 14 14 A P T 3 S+ 0 0 93 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.538 77.0 59.9 -65.0 -18.7 21.3 -10.2 71.5 15 15 A S T 3 S+ 0 0 117 2,-0.0 2,-0.2 0, 0.0 -5,-0.1 0.434 92.7 90.6 -89.1 -2.3 22.3 -12.2 68.4 16 16 A S < - 0 0 7 -3,-1.8 3,-0.1 -7,-0.1 -3,-0.1 -0.578 60.4-153.9 -98.0 155.6 24.9 -9.7 67.2 17 17 A E >> - 0 0 94 -2,-0.2 4,-2.9 1,-0.1 3,-1.7 -0.925 26.9-163.6-116.3 89.7 28.7 -9.2 67.8 18 18 A P H 3> S+ 0 0 6 0, 0.0 4,-2.3 0, 0.0 5,-0.5 0.740 80.3 59.7 -52.6 -36.0 28.5 -5.4 67.2 19 19 A L H 34 S+ 0 0 93 2,-0.2 4,-0.1 3,-0.2 -13,-0.0 0.730 118.4 33.6 -68.2 -20.1 32.2 -4.8 66.6 20 20 A L H <4 S+ 0 0 125 -3,-1.7 -1,-0.1 2,-0.1 3,-0.0 0.851 123.5 42.7 -97.3 -52.3 32.0 -7.3 63.7 21 21 A D H < S+ 0 0 64 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.0 0.774 125.5 28.2 -64.8 -39.9 28.4 -6.6 62.4 22 22 A F S < S+ 0 0 20 -4,-2.3 3,-0.5 -5,-0.2 -1,-0.2 0.524 92.1 101.4-105.9 -9.2 28.4 -2.8 62.6 23 23 A N S S+ 0 0 72 -5,-0.5 89,-0.3 1,-0.2 7,-0.2 -0.506 91.1 13.6 -78.3 143.4 32.0 -1.7 62.1 24 24 A N S S+ 0 0 75 5,-0.3 88,-4.0 1,-0.2 2,-0.4 0.936 88.2 144.7 54.5 58.9 32.8 -0.5 58.6 25 25 A Y B > -AB 29 111A 0 4,-2.0 4,-1.9 -3,-0.5 3,-0.4 -0.997 61.4 -33.6-128.0 129.9 29.2 -0.2 57.4 26 26 A G T 4 S- 0 0 3 84,-2.6 87,-0.2 -2,-0.4 92,-0.1 -0.014 100.4 -51.4 60.5-151.6 28.2 2.6 55.1 27 27 A b T 4 S+ 0 0 2 9,-0.1 7,-0.8 90,-0.1 -1,-0.2 0.631 133.6 32.8 -93.6 -16.1 30.0 6.0 55.2 28 28 A Y T 4 S+ 0 0 22 -3,-0.4 2,-0.9 5,-0.2 -2,-0.2 0.684 86.3 91.3-118.3 -25.3 29.5 6.6 58.9 29 29 A c B < S+A 25 0A 9 -4,-1.9 -4,-2.0 -6,-0.1 -5,-0.3 -0.734 89.6 25.8 -79.6 115.8 29.6 3.5 61.0 30 30 A G S S- 0 0 30 -2,-0.9 -7,-0.0 -7,-0.2 -3,-0.0 -0.724 116.6 -12.0 129.6-173.3 33.3 3.0 62.0 31 31 A L S S- 0 0 173 -2,-0.3 -2,-0.0 2,-0.0 -7,-0.0 -0.228 115.1 -20.7 -60.2 133.6 36.1 5.5 62.4 32 32 A G S S- 0 0 52 1,-0.1 -2,-0.1 17,-0.0 2,-0.1 -0.193 70.1-156.2 64.6-154.7 35.3 9.0 61.0 33 33 A G + 0 0 28 -4,-0.1 2,-0.3 16,-0.0 -5,-0.2 -0.333 17.4 164.2 148.7 135.3 32.6 9.5 58.4 34 34 A S + 0 0 61 -7,-0.8 2,-0.2 -2,-0.1 12,-0.0 -0.940 40.7 47.8-156.1 174.5 31.7 11.9 55.6 35 35 A G S S- 0 0 35 -2,-0.3 83,-0.1 83,-0.1 82,-0.0 -0.560 99.3 -35.8 83.8-160.2 29.5 12.3 52.6 36 36 A T - 0 0 107 82,-0.3 -9,-0.1 81,-0.3 -2,-0.1 -0.881 66.3-106.5-102.4 134.5 25.8 11.3 52.6 37 37 A P - 0 0 15 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.302 23.2-142.7 -57.3 141.3 24.6 8.4 54.7 38 38 A V S S- 0 0 48 72,-0.1 2,-0.3 1,-0.0 -12,-0.1 0.638 71.2 -13.9 -81.9 -22.1 23.7 5.4 52.5 39 39 A D S > S- 0 0 25 71,-0.0 4,-1.6 1,-0.0 5,-0.1 -0.913 85.6 -74.0-161.8-173.0 20.6 4.2 54.4 40 40 A D H > S+ 0 0 100 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.805 126.0 53.1 -65.3 -41.0 18.8 4.5 57.7 41 41 A L H > S+ 0 0 1 64,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.929 109.8 48.3 -59.8 -47.4 21.4 2.5 59.7 42 42 A D H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.858 107.9 56.5 -61.7 -34.6 24.2 4.7 58.3 43 43 A R H X S+ 0 0 117 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.859 102.1 55.4 -66.2 -33.9 22.0 7.7 59.4 44 44 A d H X S+ 0 0 3 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.913 109.7 47.7 -61.4 -42.7 22.0 6.2 62.9 45 45 A c H X S+ 0 0 7 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.878 108.7 52.8 -66.1 -36.9 25.8 6.3 62.8 46 46 A Q H X S+ 0 0 35 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.930 110.5 47.2 -63.4 -48.3 25.9 9.9 61.5 47 47 A T H X S+ 0 0 83 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.931 111.9 51.7 -57.1 -44.7 23.6 11.1 64.4 48 48 A H H X S+ 0 0 17 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.909 109.7 48.6 -58.3 -47.9 25.9 9.2 66.8 49 49 A D H X S+ 0 0 36 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.921 112.9 48.2 -59.1 -42.6 29.0 10.9 65.3 50 50 A N H X S+ 0 0 80 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.848 108.2 54.9 -67.5 -33.2 27.3 14.3 65.6 51 51 A e H X S+ 0 0 27 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.934 110.2 45.6 -67.8 -44.6 26.3 13.4 69.2 52 52 A Y H X S+ 0 0 69 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.868 111.0 53.7 -63.4 -35.2 30.0 12.7 70.0 53 53 A K H < S+ 0 0 126 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.866 109.2 48.6 -65.7 -37.8 31.0 16.0 68.2 54 54 A Q H >< S+ 0 0 88 -4,-2.0 3,-1.7 1,-0.2 4,-0.4 0.905 106.5 57.3 -64.1 -46.6 28.5 17.9 70.4 55 55 A A H >< S+ 0 0 5 -4,-1.9 3,-1.5 1,-0.3 6,-0.3 0.863 99.0 59.3 -54.8 -42.6 30.0 16.2 73.5 56 56 A K T 3< S+ 0 0 157 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.550 102.7 55.0 -67.3 -11.4 33.5 17.6 72.7 57 57 A K T < S+ 0 0 135 -3,-1.7 2,-0.4 -4,-0.3 -1,-0.3 0.439 82.3 103.4-102.6 -1.1 32.2 21.1 72.9 58 58 A L S X> S- 0 0 52 -3,-1.5 3,-1.5 -4,-0.4 4,-1.1 -0.680 73.4-131.8 -85.5 135.4 30.6 21.0 76.3 59 59 A D G >4 S+ 0 0 135 -2,-0.4 3,-0.6 1,-0.3 4,-0.4 0.860 108.4 55.5 -47.9 -44.9 32.6 22.8 79.1 60 60 A S G 34 S+ 0 0 74 1,-0.2 26,-0.3 2,-0.2 -1,-0.3 0.722 103.5 53.6 -63.4 -27.6 32.1 19.6 81.3 61 61 A f G X4 S+ 0 0 8 -3,-1.5 3,-4.9 -6,-0.3 -1,-0.2 0.726 81.2 94.7 -81.8 -19.0 33.7 17.4 78.7 62 62 A K T << S+ 0 0 160 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.860 91.1 40.5 -34.9 -62.8 36.8 19.5 78.4 63 63 A V T 3 0 0 153 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.534 360.0 360.0 -67.2 -2.5 38.6 17.3 81.0 64 64 A L < 0 0 61 -3,-4.9 -2,-0.3 -8,-0.0 -1,-0.3 0.773 360.0 360.0-103.6 360.0 36.9 14.5 79.1 65 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 66 71 A N 0 0 68 0, 0.0 2,-0.6 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0-117.0 34.7 8.0 78.5 67 72 A N + 0 0 115 -66,-0.1 20,-0.1 -63,-0.0 2,-0.0 -0.652 360.0 168.1-121.2 85.5 33.8 5.2 81.0 68 73 A Y - 0 0 4 -2,-0.6 2,-0.4 19,-0.2 20,-0.1 -0.220 31.5-113.6 -91.6 170.8 30.2 5.5 82.1 69 74 A S + 0 0 41 11,-0.2 11,-2.2 -2,-0.0 2,-0.3 -0.905 40.8 149.9-110.1 141.3 27.8 3.2 83.9 70 75 A Y E -C 79 0B 64 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.966 28.1-137.7-157.7 166.9 24.7 1.6 82.5 71 76 A S E -C 78 0B 59 7,-1.9 7,-2.3 -2,-0.3 2,-0.4 -0.940 2.0-152.0-131.9 149.7 22.6 -1.5 82.9 72 77 A a E +C 77 0B 61 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.990 25.8 165.5-113.5 129.1 20.8 -3.8 80.4 73 78 A S E > S-C 76 0B 68 3,-2.1 3,-1.9 -2,-0.4 -2,-0.1 -0.948 71.0 -11.5-149.0 124.0 17.7 -5.5 81.9 74 79 A N T 3 S- 0 0 139 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.880 128.6 -56.9 52.2 43.9 15.1 -7.3 79.8 75 80 A N T 3 S+ 0 0 83 1,-0.2 2,-0.4 -65,-0.0 -1,-0.3 0.565 112.9 118.8 63.1 22.3 16.7 -5.8 76.7 76 81 A E E < -C 73 0B 127 -3,-1.9 -3,-2.1 2,-0.0 2,-0.4 -0.926 55.1-140.7-118.5 140.5 16.3 -2.2 77.9 77 82 A I E -C 72 0B 4 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.843 15.9-174.2-103.4 137.5 19.2 0.1 78.5 78 83 A T E -C 71 0B 81 -7,-2.3 -7,-1.9 -2,-0.4 2,-0.3 -0.985 17.3-142.4-131.3 122.2 19.3 2.6 81.4 79 84 A g E -C 70 0B 36 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.1 -0.637 32.4-114.1 -78.7 143.4 22.1 5.1 81.9 80 85 A S > - 0 0 40 -11,-2.2 3,-1.3 -2,-0.3 -11,-0.2 -0.393 1.6-138.0 -85.6 147.3 23.0 5.6 85.5 81 86 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.1 7,-0.1 0.625 100.4 76.8 -72.6 -9.8 22.5 8.7 87.6 82 87 A E T 3 S+ 0 0 134 -13,-0.1 -1,-0.3 6,-0.0 2,-0.2 0.665 73.4 105.1 -71.5 -14.9 26.0 8.0 89.0 83 88 A N S < S- 0 0 14 -3,-1.3 -15,-0.1 -14,-0.2 2,-0.1 -0.475 70.2-132.8 -70.8 136.1 27.4 9.4 85.7 84 89 A N > - 0 0 121 -2,-0.2 4,-2.6 1,-0.0 5,-0.2 -0.265 42.5 -82.5 -78.0 176.1 28.9 12.8 85.9 85 90 A A H > S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.825 127.2 42.4 -52.3 -52.9 27.9 15.3 83.1 86 91 A f H > S+ 0 0 15 -26,-0.3 4,-2.5 1,-0.2 3,-0.4 0.957 117.1 47.4 -61.3 -51.1 30.3 14.2 80.3 87 92 A E H > S+ 0 0 54 1,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.828 110.6 52.7 -58.7 -37.0 29.7 10.5 80.9 88 93 A A H X S+ 0 0 40 -4,-2.6 4,-1.9 2,-0.2 -1,-0.3 0.843 108.5 50.7 -69.4 -38.2 25.9 11.0 81.1 89 94 A F H X S+ 0 0 64 -4,-1.8 4,-2.1 -3,-0.4 -2,-0.2 0.948 113.1 44.5 -66.6 -44.3 26.0 12.8 77.7 90 95 A I H X S+ 0 0 20 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.886 109.3 56.0 -67.0 -40.3 28.0 10.1 76.0 91 96 A g H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.932 109.3 48.7 -58.3 -39.7 25.8 7.3 77.7 92 97 A N H X S+ 0 0 76 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.905 109.1 51.3 -66.7 -40.7 22.8 9.0 76.0 93 98 A e H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.941 114.8 44.6 -57.8 -44.2 24.5 9.2 72.6 94 99 A D H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.898 112.3 50.2 -67.9 -45.5 25.2 5.5 72.8 95 100 A R H X S+ 0 0 84 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.918 110.5 49.4 -59.8 -45.6 21.8 4.5 74.1 96 101 A N H X S+ 0 0 80 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.852 113.5 47.3 -62.6 -39.6 20.1 6.5 71.3 97 102 A A H X S+ 0 0 4 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.919 109.6 52.1 -69.2 -40.4 22.3 4.8 68.6 98 103 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.923 114.2 43.8 -58.8 -46.4 21.8 1.3 70.0 99 104 A I H X S+ 0 0 44 -4,-2.2 4,-0.6 -5,-0.2 3,-0.4 0.949 112.6 53.1 -64.1 -48.2 18.0 1.8 69.9 100 105 A d H >< S+ 0 0 46 -4,-2.4 3,-1.6 1,-0.3 4,-0.4 0.922 108.2 50.5 -52.0 -51.5 18.3 3.4 66.4 101 106 A F H >< S+ 0 0 12 -4,-3.2 3,-0.7 1,-0.3 -1,-0.3 0.789 106.0 55.4 -58.3 -39.0 20.3 0.4 65.1 102 107 A S H 3< S+ 0 0 41 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.530 108.8 50.0 -71.1 -8.9 17.7 -2.1 66.5 103 108 A K T << S+ 0 0 162 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.401 98.7 67.6-113.0 0.2 14.9 -0.4 64.6 104 109 A V S < S- 0 0 36 -3,-0.7 2,-0.0 -4,-0.4 -65,-0.0 -0.825 85.5 -93.0-121.9 161.8 16.2 -0.0 61.0 105 110 A P - 0 0 84 0, 0.0 2,-0.5 0, 0.0 -64,-0.4 -0.330 30.7-135.6 -67.9 154.1 17.0 -2.5 58.2 106 111 A Y - 0 0 85 -66,-0.1 2,-0.7 -65,-0.1 3,-0.1 -0.961 15.5-159.0-111.7 120.9 20.5 -3.9 57.8 107 112 A N > - 0 0 53 -2,-0.5 3,-1.6 1,-0.1 4,-0.4 -0.897 10.4-161.3-108.4 109.2 21.7 -4.1 54.2 108 113 A K G > S+ 0 0 168 -2,-0.7 3,-1.6 1,-0.3 -1,-0.1 0.836 90.5 68.8 -55.7 -32.1 24.5 -6.5 53.6 109 114 A E G 3 S+ 0 0 153 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.856 98.8 51.4 -58.0 -29.6 25.3 -4.6 50.3 110 115 A H G X S+ 0 0 46 -3,-1.6 -84,-2.6 3,-0.1 3,-1.0 0.566 81.3 109.3 -87.6 -3.1 26.5 -1.7 52.5 111 116 A K B < S+B 25 0A 50 -3,-1.6 -86,-0.3 -4,-0.4 -87,-0.1 -0.504 93.8 3.7 -71.2 139.3 28.9 -3.6 54.8 112 117 A N T 3 S- 0 0 107 -88,-4.0 -1,-0.3 -89,-0.3 -87,-0.2 0.906 92.6-169.7 46.3 53.2 32.6 -2.7 54.1 113 118 A L < - 0 0 25 -3,-1.0 2,-0.4 -87,-0.2 -1,-0.2 -0.438 29.1-105.0 -72.3 140.5 31.4 -0.1 51.5 114 119 A D > - 0 0 108 1,-0.2 3,-2.3 -2,-0.1 -1,-0.1 -0.596 24.4-138.4 -67.9 121.6 34.1 1.4 49.3 115 120 A K G > S+ 0 0 102 -2,-0.4 3,-3.2 1,-0.3 -1,-0.2 0.563 94.2 84.0 -59.5 -11.1 34.8 5.0 50.7 116 121 A K G 3 S+ 0 0 190 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.782 87.1 60.8 -64.6 -17.6 35.0 6.3 47.1 117 122 A N G < 0 0 108 -3,-2.3 -1,-0.3 -91,-0.1 -81,-0.3 0.376 360.0 360.0 -85.9 3.8 31.3 6.4 47.6 118 123 A b < 0 0 59 -3,-3.2 -82,-0.3 -83,-0.1 -2,-0.1 0.719 360.0 360.0-111.1 360.0 31.5 8.8 50.6