==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUN-04 1TIK . COMPND 2 MOLECULE: ACYL CARRIER PROTEIN PHOSPHODIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.R.RAJASHANKAR,R.KNIEWEL,V.SOLORZANO,C.D.LIMA,S.K.BURLEY, . 203 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.0 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 19 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 1 2 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 . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 S 0 0 161 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 16.2 44.4 20.4 31.5 2 3 A L - 0 0 131 1,-0.1 2,-0.3 35,-0.0 35,-0.0 -0.161 360.0-179.8 -60.0 158.6 42.4 17.7 29.7 3 4 A S - 0 0 23 31,-0.1 35,-1.3 87,-0.0 2,-0.4 -0.918 28.1-105.1-152.8 176.2 40.0 18.9 27.0 4 5 A K E -a 38 0A 79 -2,-0.3 86,-2.3 33,-0.2 85,-1.7 -0.933 27.5-154.4-113.6 133.7 37.3 17.9 24.5 5 6 A V E -ab 39 90A 1 33,-3.4 35,-3.5 -2,-0.4 2,-0.5 -0.918 3.5-162.8-113.6 130.6 38.0 17.9 20.7 6 7 A L E -ab 40 91A 0 84,-3.3 86,-3.9 -2,-0.5 2,-0.5 -0.927 5.7-166.1-110.7 131.3 35.4 18.3 18.0 7 8 A V E -ab 41 92A 0 33,-2.8 35,-2.9 -2,-0.5 2,-0.5 -0.974 0.5-165.3-122.5 121.1 36.2 17.4 14.4 8 9 A L E -ab 42 93A 1 84,-3.2 86,-3.1 -2,-0.5 2,-0.4 -0.921 2.1-164.1-110.0 121.1 34.0 18.4 11.5 9 10 A K E +a 43 0A 29 33,-2.3 35,-2.7 -2,-0.5 36,-0.4 -0.870 17.4 164.9-103.1 132.2 34.4 16.7 8.1 10 11 A S + 0 0 0 84,-0.4 95,-0.4 -2,-0.4 96,-0.3 0.345 33.0 120.0-129.0 5.6 32.9 18.4 5.0 11 12 A S - 0 0 3 1,-0.1 3,-0.3 94,-0.1 34,-0.1 -0.390 48.8-154.5 -71.5 149.7 34.5 16.6 2.0 12 13 A I S S+ 0 0 94 1,-0.1 -1,-0.1 -2,-0.1 4,-0.0 0.302 81.6 81.0-105.2 7.0 32.3 14.8 -0.5 13 14 A L S > S- 0 0 89 1,-0.2 3,-2.3 2,-0.0 4,-0.3 0.354 74.6-165.1 -94.6 5.8 35.1 12.5 -1.6 14 15 A A G > S+ 0 0 67 -3,-0.3 3,-1.8 1,-0.3 -1,-0.2 -0.182 71.8 5.0 50.9-126.2 34.8 10.1 1.4 15 16 A G G 3 S+ 0 0 66 1,-0.3 -1,-0.3 5,-0.1 -2,-0.0 0.683 132.4 57.4 -62.6 -19.7 37.8 7.8 1.7 16 17 A Y G < S+ 0 0 199 -3,-2.3 -1,-0.3 -4,-0.0 -2,-0.2 0.502 80.4 124.3 -88.3 -5.7 39.5 9.6 -1.1 17 18 A S <> - 0 0 0 -3,-1.8 4,-1.3 -4,-0.3 5,-0.1 -0.339 50.0-159.8 -60.3 128.0 39.3 12.9 0.8 18 19 A Q H > S+ 0 0 36 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.885 94.1 48.6 -73.7 -40.2 42.6 14.6 1.4 19 20 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.834 109.0 52.0 -70.9 -32.3 41.1 16.7 4.2 20 21 A N H > S+ 0 0 9 2,-0.2 4,-2.3 -6,-0.2 -1,-0.2 0.861 108.2 52.3 -70.9 -34.9 39.6 13.7 5.9 21 22 A Q H X S+ 0 0 78 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.922 111.5 46.1 -65.8 -41.7 42.9 11.9 5.8 22 23 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.862 110.9 53.9 -67.7 -34.8 44.6 14.9 7.4 23 24 A S H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.896 108.3 48.8 -65.1 -41.4 41.7 15.0 10.0 24 25 A D H X S+ 0 0 68 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.884 110.2 51.8 -65.6 -38.6 42.3 11.3 10.9 25 26 A Y H X S+ 0 0 40 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.929 108.8 51.4 -62.7 -43.8 46.0 12.1 11.2 26 27 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.926 111.3 47.1 -57.0 -48.9 45.1 15.0 13.6 27 28 A V H X S+ 0 0 31 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.927 111.2 51.2 -59.8 -47.9 43.0 12.7 15.7 28 29 A E H X S+ 0 0 120 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.924 113.5 44.9 -56.9 -46.5 45.6 10.0 15.9 29 30 A Q H X S+ 0 0 43 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.920 113.9 47.3 -66.5 -44.5 48.3 12.5 17.0 30 31 A W H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.892 109.3 55.2 -63.8 -39.2 46.1 14.3 19.5 31 32 A R H < S+ 0 0 101 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.838 108.8 49.7 -61.2 -33.8 45.0 10.9 20.9 32 33 A E H < S+ 0 0 153 -4,-1.3 3,-0.4 -5,-0.2 -2,-0.2 0.921 116.4 38.2 -73.3 -45.3 48.7 10.0 21.4 33 34 A K H < S+ 0 0 121 -4,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.780 131.1 30.4 -76.9 -26.9 49.7 13.2 23.2 34 35 A H >< + 0 0 43 -4,-2.7 3,-0.6 -5,-0.2 -1,-0.3 -0.707 62.8 168.3-134.5 82.9 46.4 13.3 25.2 35 36 A S T 3 S+ 0 0 102 -3,-0.4 -1,-0.1 -2,-0.3 -4,-0.1 0.633 80.2 53.6 -69.5 -14.1 45.0 9.9 25.8 36 37 A A T 3 S+ 0 0 77 2,-0.1 -1,-0.2 0, 0.0 -5,-0.1 0.708 84.4 103.9 -93.4 -22.4 42.5 11.2 28.3 37 38 A D S < S- 0 0 5 -3,-0.6 2,-0.3 -7,-0.2 -33,-0.2 -0.287 71.7-123.3 -63.1 143.0 41.0 13.9 26.0 38 39 A E E -a 4 0A 95 -35,-1.3 -33,-3.4 2,-0.0 2,-0.5 -0.688 24.0-160.4 -87.6 139.0 37.5 13.2 24.5 39 40 A I E -a 5 0A 36 -2,-0.3 2,-0.4 -35,-0.2 -33,-0.2 -0.978 6.4-171.3-127.9 121.9 37.3 13.3 20.7 40 41 A T E -a 6 0A 33 -35,-3.5 -33,-2.8 -2,-0.5 2,-0.4 -0.931 4.8-163.9-113.1 132.8 34.0 13.8 18.9 41 42 A V E -a 7 0A 73 -2,-0.4 2,-0.5 -35,-0.2 -33,-0.2 -0.960 8.0-177.5-121.3 129.9 33.8 13.4 15.1 42 43 A R E -a 8 0A 21 -35,-2.9 -33,-2.3 -2,-0.4 2,-0.9 -0.957 12.8-156.8-127.9 113.0 30.9 14.6 12.9 43 44 A D E > -a 9 0A 40 -2,-0.5 4,-2.5 -35,-0.2 -33,-0.2 -0.803 2.5-166.0 -92.1 105.3 31.0 13.9 9.1 44 45 A L T 4>S+ 0 0 0 -35,-2.7 5,-0.6 -2,-0.9 -34,-0.2 0.566 89.1 48.0 -66.4 -12.3 28.8 16.5 7.5 45 46 A A T 45S+ 0 0 34 -36,-0.4 -1,-0.2 3,-0.2 -35,-0.1 0.844 114.2 42.2 -94.1 -47.2 28.8 14.5 4.3 46 47 A A T 45S+ 0 0 81 1,-0.3 -2,-0.2 -37,-0.1 -36,-0.0 0.808 129.8 31.8 -69.8 -29.7 28.0 11.1 5.8 47 48 A N T <5S- 0 0 97 -4,-2.5 -1,-0.3 2,-0.0 -2,-0.1 -0.695 97.3-154.2-128.8 75.3 25.4 12.7 8.1 48 49 A P T 5 - 0 0 89 0, 0.0 -3,-0.2 0, 0.0 -4,-0.1 -0.189 7.0-138.0 -57.5 134.5 24.2 15.6 5.9 49 50 A I < - 0 0 8 -5,-0.6 59,-0.1 56,-0.3 60,-0.1 -0.764 32.6-107.1 -92.0 135.9 22.7 18.8 7.3 50 51 A P - 0 0 49 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.195 35.2 -99.3 -62.6 157.1 19.6 20.1 5.4 51 52 A V - 0 0 93 1,-0.1 2,-0.8 60,-0.0 5,-0.2 -0.508 37.2-112.0 -74.6 142.5 19.8 23.2 3.2 52 53 A L + 0 0 55 -2,-0.2 2,-0.2 4,-0.1 -1,-0.1 -0.689 51.4 167.0 -80.1 110.2 18.5 26.4 4.8 53 54 A D > - 0 0 59 -2,-0.8 4,-2.3 1,-0.0 5,-0.2 -0.550 53.4 -80.9-114.8-176.1 15.3 27.3 3.0 54 55 A G T 4 S+ 0 0 74 1,-0.2 4,-0.1 -2,-0.2 -2,-0.0 0.720 127.7 42.5 -57.0 -24.9 12.4 29.6 3.4 55 56 A E T >4 S+ 0 0 65 2,-0.1 3,-1.3 1,-0.1 4,-0.4 0.893 112.5 47.9 -90.7 -46.7 10.7 27.2 5.8 56 57 A L G >> S+ 0 0 5 1,-0.3 3,-2.3 2,-0.2 4,-0.8 0.877 99.2 67.9 -64.4 -35.5 13.6 26.0 8.0 57 58 A V G 3< S+ 0 0 49 -4,-2.3 3,-0.4 1,-0.3 4,-0.4 0.766 90.6 67.0 -55.5 -22.2 14.9 29.6 8.6 58 59 A G G X4 S+ 0 0 18 -3,-1.3 3,-0.7 1,-0.2 -1,-0.3 0.803 91.8 59.2 -68.4 -28.6 11.7 30.0 10.6 59 60 A A T <4 S+ 0 0 4 -3,-2.3 -1,-0.2 -4,-0.4 -2,-0.2 0.792 100.7 55.1 -70.1 -28.2 12.9 27.6 13.2 60 61 A L T 3< S+ 0 0 22 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.611 90.1 93.7 -79.4 -11.8 16.0 29.7 13.8 61 62 A R S < S- 0 0 154 -3,-0.7 2,-1.2 -4,-0.4 54,-0.0 -0.725 82.6-127.9 -86.6 120.4 13.6 32.7 14.6 62 63 A P + 0 0 116 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.533 55.3 144.0 -70.0 97.0 12.8 33.0 18.3 63 64 A S - 0 0 81 -2,-1.2 -5,-0.0 2,-0.1 0, 0.0 -0.812 56.5-137.6-132.0 172.2 9.0 33.1 18.1 64 65 A D S S+ 0 0 157 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.684 72.3 103.3-100.2 -27.9 5.9 32.0 20.0 65 66 A A S S- 0 0 53 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.131 84.5 -88.4 -56.7 152.6 3.9 30.8 16.9 66 67 A P - 0 0 126 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.273 41.2-133.4 -63.0 147.8 3.6 27.1 16.2 67 68 A L - 0 0 55 -3,-0.1 -8,-0.0 1,-0.1 0, 0.0 -0.793 14.5-117.1-107.0 148.3 6.3 25.4 14.1 68 69 A T > - 0 0 48 -2,-0.3 4,-2.7 -13,-0.1 5,-0.2 -0.273 37.4 -99.6 -73.6 166.0 5.8 23.0 11.2 69 70 A P H > S+ 0 0 98 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.922 126.1 47.1 -54.0 -45.3 7.1 19.4 11.5 70 71 A R H > S+ 0 0 107 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.922 111.2 51.2 -62.8 -43.6 10.2 20.3 9.4 71 72 A Q H > S+ 0 0 27 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.905 108.1 52.5 -60.9 -40.9 10.8 23.5 11.5 72 73 A Q H X S+ 0 0 112 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.897 112.7 44.4 -62.6 -40.6 10.6 21.4 14.7 73 74 A E H X S+ 0 0 146 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.927 112.8 50.8 -69.8 -42.9 13.2 19.0 13.4 74 75 A A H X S+ 0 0 4 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.901 111.7 48.6 -59.7 -42.2 15.4 21.8 12.1 75 76 A L H X S+ 0 0 45 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.898 111.8 48.4 -65.0 -42.8 15.2 23.5 15.5 76 77 A A H X S+ 0 0 59 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.904 113.9 47.0 -64.5 -42.0 16.1 20.3 17.4 77 78 A L H X S+ 0 0 40 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.906 110.8 52.6 -66.9 -40.9 19.0 19.6 15.1 78 79 A S H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.937 109.8 47.5 -60.4 -47.6 20.2 23.2 15.4 79 80 A D H X S+ 0 0 75 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.887 111.8 51.3 -60.2 -40.9 20.1 23.0 19.3 80 81 A E H X S+ 0 0 99 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.949 111.8 46.3 -61.9 -49.6 22.0 19.7 19.1 81 82 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.914 115.1 46.2 -59.6 -46.4 24.7 21.1 16.8 82 83 A I H X S+ 0 0 7 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.913 112.0 49.8 -65.2 -43.6 25.1 24.2 18.9 83 84 A A H X S+ 0 0 61 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.908 111.0 51.6 -61.5 -41.4 25.3 22.4 22.2 84 85 A E H X S+ 0 0 31 -4,-2.4 4,-0.5 -5,-0.2 3,-0.5 0.955 111.0 47.0 -59.5 -50.8 27.9 20.1 20.7 85 86 A L H >< S+ 0 0 4 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.937 112.7 48.1 -57.6 -50.1 30.0 23.0 19.6 86 87 A K H 3< S+ 0 0 88 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.714 105.2 62.4 -64.8 -20.3 29.8 24.8 22.9 87 88 A A H 3< S+ 0 0 56 -4,-1.4 2,-0.3 -3,-0.5 -1,-0.3 0.568 95.5 72.5 -82.8 -9.8 30.7 21.6 24.7 88 89 A H << - 0 0 10 -3,-1.5 -83,-0.2 -4,-0.5 3,-0.1 -0.827 58.3-159.6-112.7 151.4 34.1 21.3 23.1 89 90 A D S S+ 0 0 71 -85,-1.7 46,-2.3 -2,-0.3 2,-0.6 0.844 82.8 44.7 -90.0 -42.6 37.3 23.2 23.6 90 91 A V E -bc 5 135A 4 -86,-2.3 -84,-3.3 44,-0.2 2,-0.7 -0.934 68.4-164.6-112.2 118.4 39.2 22.4 20.4 91 92 A I E -bc 6 136A 1 44,-2.2 46,-2.7 -2,-0.6 2,-0.6 -0.885 1.5-166.6-105.6 111.9 37.3 22.7 17.1 92 93 A V E -bc 7 137A 0 -86,-3.9 -84,-3.2 -2,-0.7 2,-0.6 -0.869 6.8-166.7 -98.9 123.2 38.9 21.1 14.1 93 94 A I E -bc 8 138A 2 44,-3.5 46,-2.6 -2,-0.6 2,-0.8 -0.913 12.3-157.0-117.5 110.9 37.3 22.1 10.8 94 95 A A E + c 0 139A 0 -86,-3.1 -84,-0.4 -2,-0.6 46,-0.2 -0.750 21.8 176.4 -83.3 111.0 38.0 20.2 7.6 95 96 A A - 0 0 0 44,-1.9 -86,-0.1 -2,-0.8 -1,-0.1 -0.729 8.5-172.2-122.4 83.8 37.2 22.7 4.9 96 97 A P - 0 0 2 0, 0.0 7,-0.6 0, 0.0 2,-0.6 -0.366 26.2-121.8 -69.0 154.9 37.9 21.7 1.3 97 98 A X E -E 102 0B 20 44,-2.3 2,-0.5 5,-0.2 46,-0.4 -0.889 30.4-179.1-101.6 121.2 37.5 24.4 -1.4 98 99 A Y E > S-E 101 0B 61 3,-3.0 3,-1.9 -2,-0.6 44,-0.0 -0.989 73.2 -15.5-121.8 125.4 35.0 23.5 -4.2 99 100 A N T 3 S- 0 0 156 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.886 128.2 -55.2 47.3 47.1 34.5 26.0 -7.0 100 101 A F T 3 S+ 0 0 116 1,-0.2 -1,-0.3 -3,-0.1 53,-0.3 0.619 125.9 85.7 65.4 16.5 36.2 28.7 -4.9 101 102 A N E < S-E 98 0B 77 -3,-1.9 -3,-3.0 52,-0.1 -1,-0.2 -0.787 86.7 -91.5-133.5 175.4 33.8 28.2 -2.0 102 103 A I E -E 97 0B 5 -2,-0.2 -5,-0.2 -5,-0.2 2,-0.1 -0.399 61.5 -80.0 -80.3 169.9 33.6 25.9 1.0 103 104 A S >> - 0 0 0 -7,-0.6 4,-2.0 1,-0.1 3,-0.6 -0.402 32.5-125.1 -71.2 150.6 31.7 22.7 0.6 104 105 A T H 3> S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.804 109.7 65.6 -65.4 -28.2 27.9 22.9 0.8 105 106 A Q H 3> S+ 0 0 54 -95,-0.4 4,-0.9 1,-0.2 -56,-0.3 0.886 107.9 39.4 -61.6 -38.0 28.0 20.2 3.5 106 107 A L H <> S+ 0 0 0 -3,-0.6 4,-2.4 -96,-0.3 -2,-0.2 0.871 112.2 57.5 -77.6 -37.7 29.9 22.6 5.8 107 108 A K H X S+ 0 0 80 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.897 103.5 52.8 -59.2 -42.7 27.8 25.6 4.7 108 109 A N H X S+ 0 0 16 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.875 107.8 52.8 -62.0 -36.2 24.6 23.9 5.8 109 110 A Y H >X S+ 0 0 4 -4,-0.9 3,-1.3 -5,-0.2 4,-1.3 0.965 109.3 47.6 -63.1 -52.6 26.2 23.3 9.2 110 111 A F H >X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.3 3,-0.6 0.890 105.3 59.9 -56.5 -41.3 27.1 27.0 9.6 111 112 A D H 3< S+ 0 0 42 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.705 110.2 41.7 -63.5 -18.9 23.6 28.1 8.5 112 113 A L H << S+ 0 0 2 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.619 113.5 52.7-100.0 -15.6 22.0 26.1 11.4 113 114 A V H << S+ 0 0 1 -4,-1.3 2,-0.7 -3,-0.6 -2,-0.2 0.791 92.3 79.0 -87.9 -33.1 24.7 27.2 14.0 114 115 A A < + 0 0 25 -4,-2.2 2,-0.3 -5,-0.2 -1,-0.1 -0.702 59.3 139.8 -82.7 114.4 24.4 30.9 13.4 115 116 A R >>> - 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