==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOXYLIC ESTER HYDROLASE 27-JUN-83 3BP2 . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.W.DIJKSTRA,J.DRENTH . 122 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 76 62.3 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 7.4 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 . 8 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 36.1 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+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 1 0 0 0 0 0 0 1 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 2 A L > 0 0 143 0, 0.0 4,-3.9 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -57.6 9.8 15.2 29.6 2 3 A W H > + 0 0 175 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.889 360.0 44.3 -45.2 -50.9 7.7 18.3 29.5 3 4 A Q H > S+ 0 0 7 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.937 116.7 47.4 -65.7 -48.0 10.5 20.7 28.8 4 5 A F H > S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.905 109.1 53.6 -56.0 -44.4 12.1 18.4 26.3 5 6 A N H X S+ 0 0 31 -4,-3.9 4,-1.7 1,-0.3 -1,-0.2 0.876 108.9 50.6 -55.6 -43.6 8.7 17.9 24.6 6 7 A G H X S+ 0 0 21 -4,-1.8 4,-0.5 -3,-0.3 -1,-0.3 0.836 106.9 55.0 -67.0 -35.3 8.4 21.6 24.3 7 8 A M H X S+ 0 0 0 -4,-1.6 4,-1.5 -3,-0.4 -2,-0.2 0.798 106.3 49.3 -67.7 -41.1 11.9 21.9 22.7 8 9 A I H X S+ 0 0 8 -4,-1.8 4,-3.0 1,-0.2 3,-0.3 0.921 109.0 52.6 -65.2 -46.0 11.2 19.5 19.9 9 10 A K H < S+ 0 0 64 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.691 102.4 61.1 -57.2 -27.4 8.0 21.3 19.1 10 11 A a H < S+ 0 0 7 -4,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.931 116.9 30.2 -70.1 -37.4 10.0 24.6 18.9 11 12 A K H < S+ 0 0 34 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.1 0.735 133.1 34.2 -93.7 -23.2 12.1 23.0 16.1 12 13 A I >< + 0 0 27 -4,-3.0 3,-1.8 -5,-0.1 -1,-0.3 -0.800 68.1 177.4-131.1 80.5 9.3 20.8 14.6 13 14 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.677 75.7 59.4 -66.6 -19.6 6.1 22.8 15.1 14 15 A S T 3 S+ 0 0 117 2,-0.0 2,-0.3 0, 0.0 -5,-0.1 0.397 93.2 90.4 -85.3 -11.5 3.9 20.2 13.4 15 16 A S < - 0 0 7 -3,-1.8 3,-0.1 -7,-0.1 -3,-0.1 -0.692 60.7-152.8-104.0 158.5 4.8 17.4 15.7 16 17 A E >> - 0 0 99 -2,-0.3 4,-2.3 1,-0.2 3,-2.1 -0.909 24.5-164.0-111.7 86.2 3.5 15.9 19.0 17 18 A P H 3> S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 5,-0.4 0.863 81.6 59.8 -56.5 -36.8 6.9 14.5 20.2 18 19 A L H 34 S+ 0 0 93 1,-0.2 -13,-0.0 2,-0.2 -3,-0.0 0.600 118.8 33.9 -63.2 -9.9 5.6 12.1 22.9 19 20 A L H <4 S+ 0 0 119 -3,-2.1 3,-0.3 2,-0.0 -1,-0.2 0.687 126.2 35.8-105.8 -51.2 3.7 10.4 20.0 20 21 A D H < S+ 0 0 60 -4,-2.3 -2,-0.2 1,-0.2 -5,-0.0 0.785 123.4 36.9 -76.1 -35.7 6.0 10.7 17.0 21 22 A F S < S+ 0 0 23 -4,-2.6 3,-0.4 -5,-0.2 2,-0.4 0.288 97.7 97.1-107.7 3.7 9.5 10.4 18.6 22 23 A N S S+ 0 0 62 -5,-0.4 94,-0.2 -3,-0.3 7,-0.2 -0.743 88.5 10.8 -90.8 143.8 8.6 7.8 21.1 23 24 A N S S+ 0 0 69 5,-0.6 93,-3.0 -2,-0.4 2,-0.4 0.918 91.1 145.9 55.4 52.1 9.2 4.1 20.5 24 25 A Y B > -AB 28 115A 0 4,-1.7 4,-1.7 -3,-0.4 3,-0.4 -0.981 57.7 -35.2-118.4 137.6 11.3 4.8 17.4 25 26 A G T 4 S- 0 0 1 89,-3.8 92,-0.3 -2,-0.4 97,-0.1 -0.109 101.5 -49.2 55.0-152.4 14.3 2.7 16.3 26 27 A b T 4 S+ 0 0 1 9,-0.1 7,-0.6 95,-0.1 -1,-0.2 0.715 134.4 29.8 -88.3 -19.3 16.5 1.1 19.0 27 28 A Y T 4 S+ 0 0 25 -3,-0.4 2,-0.9 5,-0.2 -2,-0.2 0.708 85.1 96.5-119.9 -25.8 17.1 4.2 21.1 28 29 A c B < S+A 24 0A 7 -4,-1.7 -4,-1.7 -6,-0.1 -5,-0.6 -0.619 91.5 9.1 -75.9 103.2 14.2 6.7 21.0 29 30 A G S S+ 0 0 31 -2,-0.9 -7,-0.0 -7,-0.2 -11,-0.0 -0.814 118.9 9.3 123.5-171.1 12.1 6.0 24.1 30 31 A L S S- 0 0 160 -2,-0.3 -2,-0.0 2,-0.0 -7,-0.0 -0.239 117.7 -33.9 -52.1 127.4 12.8 3.7 27.1 31 32 A G - 0 0 49 1,-0.1 -2,-0.2 17,-0.0 2,-0.1 -0.162 67.3-150.7 58.5-151.1 16.3 2.4 27.1 32 33 A G + 0 0 25 -4,-0.1 2,-0.3 16,-0.0 -5,-0.2 -0.279 17.8 169.6 148.7 133.2 18.0 1.6 23.8 33 34 A S + 0 0 72 -7,-0.6 12,-0.0 -2,-0.1 2,-0.0 -0.881 40.0 35.8-148.6 170.5 20.7 -0.9 22.7 34 35 A G S S- 0 0 38 -2,-0.3 88,-0.1 88,-0.1 3,-0.0 -0.290 102.1 -24.6 82.8-159.9 22.5 -2.3 19.7 35 36 A T - 0 0 112 87,-0.4 -9,-0.1 86,-0.2 -2,-0.1 -0.740 69.9-107.1 -94.4 133.1 23.2 -0.2 16.6 36 37 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.301 25.2-145.1 -52.7 131.1 21.2 2.8 15.8 37 38 A V S S- 0 0 48 77,-0.1 2,-0.3 1,-0.1 -12,-0.1 0.753 71.7 -10.3 -77.9 -30.5 19.0 1.9 12.8 38 39 A D S > S- 0 0 26 76,-0.1 4,-2.0 71,-0.0 5,-0.1 -0.823 86.2 -77.2-151.1-165.9 19.1 5.4 11.2 39 40 A D H > S+ 0 0 104 -2,-0.3 4,-1.0 1,-0.2 71,-0.1 0.809 128.3 51.0 -68.4 -32.3 20.2 9.1 11.9 40 41 A L H > S+ 0 0 1 69,-0.3 4,-1.9 2,-0.2 3,-0.4 0.884 108.0 52.6 -67.7 -48.3 17.2 9.8 14.0 41 42 A D H > S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.908 110.2 49.6 -58.7 -42.1 18.0 6.6 16.1 42 43 A R H X S+ 0 0 102 -4,-2.0 4,-2.3 2,-0.3 -1,-0.3 0.744 103.8 58.7 -67.1 -31.0 21.6 8.0 16.4 43 44 A d H X S+ 0 0 4 -4,-1.0 4,-2.0 -3,-0.4 -1,-0.2 0.908 111.6 41.6 -57.5 -49.3 20.1 11.3 17.5 44 45 A c H X S+ 0 0 5 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.924 109.2 57.4 -62.2 -46.0 18.4 9.4 20.4 45 46 A Q H X S+ 0 0 34 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.943 110.0 46.7 -55.4 -52.0 21.5 7.3 21.1 46 47 A T H X S+ 0 0 61 -4,-2.3 4,-3.6 2,-0.2 -1,-0.2 0.932 111.0 50.2 -53.5 -49.2 23.5 10.5 21.7 47 48 A H H X S+ 0 0 20 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.945 109.9 50.1 -59.0 -51.3 20.8 12.0 23.9 48 49 A D H X S+ 0 0 36 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.947 112.6 48.9 -49.2 -52.3 20.7 8.9 26.0 49 50 A N H X S+ 0 0 72 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.931 108.3 53.1 -56.5 -42.8 24.5 9.1 26.3 50 51 A e H X S+ 0 0 26 -4,-3.6 4,-0.9 1,-0.3 -2,-0.2 0.845 110.3 47.8 -69.6 -34.0 24.2 12.8 27.2 51 52 A Y H X S+ 0 0 28 -4,-2.6 4,-0.9 2,-0.2 -1,-0.3 0.840 108.8 53.5 -68.7 -38.5 21.8 11.9 30.0 52 53 A K H X S+ 0 0 132 -4,-2.2 4,-0.7 1,-0.2 3,-0.4 0.872 110.2 48.5 -60.1 -36.9 24.1 9.0 31.2 53 54 A Q H < S+ 0 0 98 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.764 102.7 61.8 -72.3 -30.6 27.0 11.5 31.4 54 55 A A H < S+ 0 0 0 -4,-0.9 3,-0.5 -3,-0.2 6,-0.2 0.721 99.3 55.6 -72.4 -29.2 24.9 14.1 33.4 55 56 A K H < S+ 0 0 76 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.772 103.5 54.3 -74.5 -27.6 24.5 11.6 36.2 56 57 A K S < S+ 0 0 135 -4,-0.7 2,-0.4 -3,-0.2 -1,-0.2 0.414 87.3 109.0 -87.2 1.6 28.3 11.2 36.5 57 58 A L >> - 0 0 46 -3,-0.5 4,-3.6 1,-0.1 3,-1.4 -0.639 67.9-141.5 -89.9 133.8 28.7 15.0 36.9 58 59 A D T 34 S+ 0 0 130 -2,-0.4 6,-0.2 1,-0.3 5,-0.2 0.905 101.3 59.9 -50.8 -53.0 29.6 16.4 40.3 59 60 A S T 34 S+ 0 0 44 1,-0.2 31,-0.3 4,-0.1 -1,-0.3 0.690 116.0 34.3 -53.5 -27.4 27.3 19.4 39.8 60 61 A f T X>>S+ 0 0 1 -3,-1.4 2,-3.7 -6,-0.2 5,-2.6 0.818 101.5 79.3 -91.9 -48.1 24.4 17.0 39.5 61 62 A K T 3<5S+ 0 0 123 -4,-3.6 -1,-0.1 1,-0.3 -3,-0.1 -0.252 106.6 28.7 -63.8 61.3 25.8 14.4 42.0 62 63 A V T 345S+ 0 0 78 -2,-3.7 -1,-0.3 -3,-0.1 2,-0.2 0.214 104.0 61.5-147.2 -76.7 24.6 16.6 44.9 63 64 A L T <45S- 0 0 91 -3,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.150 113.2-138.6 -67.1 15.3 21.9 18.2 43.8 64 65 A V T <5 - 0 0 128 -4,-2.4 -3,-0.2 -2,-0.2 -4,-0.1 0.847 45.9-167.4 23.1 39.6 21.8 14.0 43.9 65 66 A D < - 0 0 43 -5,-2.6 3,-0.1 -11,-0.1 -5,-0.1 -0.245 33.1-145.9 -70.9 152.9 20.2 15.0 40.6 66 67 A N >> - 0 0 67 1,-0.1 3,-2.3 -2,-0.0 4,-1.9 -0.989 6.8-152.1-118.1 118.4 18.1 12.9 38.2 67 68 A P T 34 S+ 0 0 4 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.920 101.9 61.3 -53.2 -41.1 18.5 13.8 34.5 68 69 A Y T 34 S+ 0 0 155 1,-0.2 -3,-0.0 -3,-0.1 -17,-0.0 0.572 116.9 27.0 -58.4 -18.5 15.0 12.5 34.3 69 70 A T T <4 S+ 0 0 95 -3,-2.3 -1,-0.2 -68,-0.1 -4,-0.0 0.441 82.1 142.6-127.2 -4.0 13.8 15.1 36.7 70 71 A N < - 0 0 7 -4,-1.9 2,-0.6 -3,-0.4 -10,-0.0 -0.189 42.1-146.5 -49.4 118.6 16.2 18.0 36.1 71 72 A N + 0 0 109 -68,-0.0 -1,-0.1 2,-0.0 20,-0.1 -0.404 34.3 151.8 -94.7 74.6 14.3 21.3 36.3 72 73 A Y - 0 0 4 -2,-0.6 2,-0.3 19,-0.2 20,-0.1 -0.232 35.8-127.2 -99.3 176.0 16.0 24.1 33.7 73 74 A S + 0 0 53 11,-0.2 11,-1.0 2,-0.0 2,-0.3 -0.835 30.3 163.3-123.8 151.7 14.6 27.1 31.8 74 75 A Y E -C 83 0B 60 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.908 24.1-137.4-158.5 156.8 14.8 27.8 28.1 75 76 A S E -C 82 0B 61 7,-2.4 7,-1.8 -2,-0.3 2,-0.5 -0.841 6.3-146.2-122.0 154.8 13.0 30.0 25.7 76 77 A a E +C 81 0B 59 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.990 23.9 166.1-124.6 116.5 11.7 29.4 22.2 77 78 A S E > S-C 80 0B 58 3,-2.1 3,-1.3 -2,-0.5 -2,-0.0 -0.990 70.5 -17.1-135.9 119.7 11.7 32.2 19.7 78 79 A N T 3 S- 0 0 153 -2,-0.4 3,-0.1 1,-0.3 -68,-0.0 0.765 124.3 -57.1 66.5 22.3 11.2 31.8 16.0 79 80 A N T 3 S+ 0 0 71 1,-0.3 2,-0.4 -67,-0.0 -1,-0.3 0.732 113.3 113.4 76.5 25.1 12.0 28.0 16.2 80 81 A E E < -C 77 0B 110 -3,-1.3 -3,-2.1 2,-0.0 2,-0.3 -0.995 57.6-142.6-123.8 135.5 15.4 28.5 17.8 81 82 A I E -C 76 0B 5 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.743 13.9-172.1-102.6 143.7 16.0 27.4 21.3 82 83 A T E -C 75 0B 80 -7,-1.8 -7,-2.4 -2,-0.3 2,-0.5 -0.976 20.5-136.5-134.8 127.3 18.1 29.2 23.9 83 84 A g E -C 74 0B 36 -2,-0.4 -9,-0.2 -9,-0.2 9,-0.0 -0.751 35.4-110.9 -85.2 127.2 19.0 27.7 27.2 84 85 A S > - 0 0 35 -11,-1.0 3,-1.8 -2,-0.5 -11,-0.2 -0.293 10.3-132.5 -64.5 133.2 18.6 30.4 29.9 85 86 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.0 7,-0.1 0.716 100.0 77.0 -56.3 -28.2 21.7 31.8 31.6 86 87 A E T 3 S+ 0 0 163 2,-0.0 -1,-0.3 6,-0.0 2,-0.1 0.738 71.2 112.0 -65.4 -14.9 19.9 31.3 34.9 87 88 A N < - 0 0 18 -3,-1.8 2,-0.1 -14,-0.2 -15,-0.1 -0.304 67.9-131.3 -62.6 133.9 20.6 27.6 34.7 88 89 A N > - 0 0 70 -2,-0.1 4,-2.6 1,-0.1 3,-0.3 -0.379 40.3 -92.4 -66.1 166.9 23.1 26.2 37.3 89 90 A A H > S+ 0 0 67 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.763 126.1 49.5 -52.2 -45.4 25.8 23.9 35.6 90 91 A f H > S+ 0 0 2 -31,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.911 114.7 42.9 -65.2 -50.3 23.8 20.7 36.1 91 92 A E H > S+ 0 0 39 -3,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.774 112.9 53.2 -71.7 -22.3 20.7 22.1 34.6 92 93 A A H X S+ 0 0 39 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.809 106.7 52.9 -80.7 -34.0 22.6 23.8 31.8 93 94 A F H X S+ 0 0 61 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.970 112.8 44.6 -62.2 -45.7 24.2 20.4 31.0 94 95 A I H X S+ 0 0 1 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.884 111.1 53.3 -64.1 -41.5 20.7 18.8 30.8 95 96 A g H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.878 109.2 49.2 -61.1 -33.0 19.4 21.8 28.7 96 97 A N H X S+ 0 0 68 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.935 108.9 52.6 -73.5 -45.0 22.2 21.3 26.3 97 98 A e H X S+ 0 0 1 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.961 115.0 42.4 -52.2 -54.8 21.5 17.6 26.1 98 99 A D H X S+ 0 0 4 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.876 113.7 52.3 -67.3 -36.1 17.9 18.5 25.3 99 100 A R H X S+ 0 0 72 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.920 107.6 49.2 -61.5 -52.7 18.9 21.2 22.9 100 101 A N H X S+ 0 0 77 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.779 113.3 48.0 -55.9 -38.1 21.2 19.1 20.8 101 102 A A H X S+ 0 0 4 -4,-1.4 4,-3.3 -5,-0.3 5,-0.2 0.898 107.9 54.6 -70.0 -54.5 18.6 16.4 20.4 102 103 A A H X S+ 0 0 0 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.954 116.7 38.4 -40.9 -60.7 15.9 18.9 19.5 103 104 A I H >X S+ 0 0 50 -4,-2.2 4,-0.9 2,-0.2 3,-0.8 0.904 113.0 54.8 -61.3 -52.9 18.1 20.2 16.7 104 105 A d H >< S+ 0 0 42 -4,-2.7 3,-1.1 1,-0.3 4,-0.4 0.922 107.9 52.8 -46.7 -47.7 19.5 16.7 15.7 105 106 A F H >< S+ 0 0 11 -4,-3.3 3,-0.6 1,-0.2 -1,-0.3 0.794 105.3 53.5 -56.5 -39.6 15.8 15.6 15.3 106 107 A S H << S+ 0 0 37 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.573 109.4 48.6 -77.0 -12.9 14.9 18.5 12.9 107 108 A K T << S+ 0 0 159 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.346 97.5 79.8-101.7 -2.7 17.8 17.7 10.6 108 109 A V S < S- 0 0 31 -3,-0.6 -70,-0.0 -4,-0.4 0, 0.0 -0.951 82.5-104.3-111.3 142.3 17.4 14.0 10.1 109 110 A P - 0 0 81 0, 0.0 2,-0.6 0, 0.0 -69,-0.3 -0.085 30.3-129.1 -47.8 148.2 15.0 12.0 7.8 110 111 A Y - 0 0 90 -71,-0.1 2,-0.8 -70,-0.1 3,-0.1 -0.982 19.2-164.2-111.6 115.6 12.0 10.3 9.5 111 112 A N > - 0 0 45 -2,-0.6 3,-1.6 1,-0.1 4,-0.1 -0.894 5.3-165.6-102.3 104.7 11.7 6.6 8.6 112 113 A K G > S+ 0 0 172 -2,-0.8 3,-1.0 1,-0.3 -1,-0.1 0.551 82.5 72.8 -72.6 -7.8 8.3 5.4 9.5 113 114 A E G 3 S+ 0 0 133 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.594 93.2 58.5 -72.6 -11.5 9.4 1.8 9.1 114 115 A H G X S+ 0 0 39 -3,-1.6 -89,-3.8 3,-0.1 3,-0.6 0.393 77.6 108.1 -98.5 1.8 11.3 2.2 12.4 115 116 A K B < S+B 24 0A 57 -3,-1.0 -91,-0.2 1,-0.2 -92,-0.1 -0.562 90.0 7.1 -84.3 139.4 8.5 3.2 14.6 116 117 A N T 3 S- 0 0 101 -93,-3.0 -1,-0.2 -2,-0.3 2,-0.2 0.938 92.4-175.2 56.8 59.3 7.5 0.4 17.1 117 118 A L < - 0 0 37 -3,-0.6 2,-0.6 -92,-0.3 -1,-0.1 -0.529 33.2-108.2 -85.1 155.3 10.4 -1.7 16.2 118 119 A D > - 0 0 86 -2,-0.2 3,-2.0 1,-0.1 -1,-0.1 -0.767 25.5-143.8 -83.2 118.7 11.1 -5.2 17.5 119 120 A K G > S+ 0 0 77 -2,-0.6 3,-1.4 1,-0.3 -1,-0.1 0.440 94.4 79.0 -66.4 -1.5 14.0 -4.7 19.9 120 121 A K G 3 S+ 0 0 167 1,-0.3 -1,-0.3 2,-0.2 -2,-0.0 0.457 83.9 64.2 -82.7 -2.3 15.3 -8.1 18.8 121 122 A N G < 0 0 105 -3,-2.0 -1,-0.3 -87,-0.0 -2,-0.2 0.267 360.0 360.0 -96.8 8.5 16.5 -6.1 15.8 122 123 A b < 0 0 63 -3,-1.4 -87,-0.4 -88,-0.1 -2,-0.2 0.746 360.0 360.0-114.6 360.0 18.6 -4.3 18.4