==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, LYASE 04-DEC-12 4I90 . COMPND 2 MOLECULE: 1-PHOSPHATIDYLINOSITOL PHOSPHODIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR R.I.GOLDSTEIN,J.CHENG,B.STEC,A.GERSHENSON,M.F.ROBERTS . 302 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 34 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 2 1 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 1 2 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 PARALLEL BRIDGES PER LADDER . 1 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 1 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 D 0 0 184 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.2 -3.3 90.1 7.4 2 3 A S > - 0 0 53 1,-0.1 3,-1.5 3,-0.0 4,-0.3 -0.260 360.0-107.5 -65.7 160.0 -0.3 88.5 5.5 3 4 A L G > S+ 0 0 8 1,-0.3 3,-1.6 2,-0.2 6,-0.2 0.803 115.0 64.4 -59.0 -37.6 -0.3 84.7 5.1 4 5 A S G 3 S+ 0 0 22 1,-0.3 -1,-0.3 290,-0.2 4,-0.1 0.669 87.6 70.5 -65.0 -15.9 2.5 84.2 7.7 5 6 A K G < S+ 0 0 134 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.682 107.0 38.5 -71.7 -18.4 0.2 85.5 10.4 6 7 A S S X S+ 0 0 31 -3,-1.6 3,-1.6 -4,-0.3 -1,-0.3 -0.504 71.1 158.6-128.3 67.9 -1.8 82.3 10.1 7 8 A P G > + 0 0 29 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.747 63.9 70.2 -69.6 -15.0 0.9 79.6 9.5 8 9 A E G 3 S+ 0 0 59 1,-0.2 50,-0.1 -3,-0.1 51,-0.1 0.737 118.1 16.7 -70.8 -19.9 -1.2 76.7 10.6 9 10 A N G X S+ 0 0 35 -3,-1.6 3,-0.8 -6,-0.2 4,-0.5 -0.065 78.2 132.4-143.0 35.7 -3.5 77.0 7.5 10 11 A W G X S+ 0 0 0 -3,-0.6 3,-1.3 1,-0.2 4,-0.2 0.847 72.4 56.7 -63.5 -34.8 -1.7 79.1 5.0 11 12 A M G > S+ 0 0 2 1,-0.3 3,-1.7 -4,-0.2 -1,-0.2 0.818 94.9 67.0 -64.1 -26.4 -2.3 76.6 2.1 12 13 A S G < S+ 0 0 47 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.664 96.4 57.4 -67.7 -21.9 -6.0 76.9 2.7 13 14 A K G < S+ 0 0 105 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.451 93.2 85.7 -85.4 -4.6 -5.7 80.6 1.5 14 15 A L S < S- 0 0 17 -3,-1.7 2,-0.7 -4,-0.2 288,-0.1 -0.515 93.7 -92.6 -96.8 167.9 -4.2 79.8 -1.9 15 16 A D > - 0 0 107 -2,-0.2 3,-1.8 1,-0.1 138,-0.2 -0.679 34.0-148.8 -78.5 117.6 -5.9 79.0 -5.2 16 17 A D T 3 S+ 0 0 30 -2,-0.7 138,-2.5 1,-0.3 139,-0.3 0.530 89.0 77.1 -75.2 -0.1 -6.0 75.2 -5.1 17 18 A G T 3 S+ 0 0 42 136,-0.2 -1,-0.3 135,-0.1 2,-0.1 0.608 73.4 105.7 -76.5 -10.6 -5.7 75.0 -8.9 18 19 A K S < S- 0 0 52 -3,-1.8 135,-2.6 134,-0.1 136,-0.3 -0.404 77.8-120.0 -64.9 141.8 -1.9 75.8 -8.5 19 20 A H B > -A 152 0A 35 133,-0.3 3,-1.8 1,-0.1 4,-0.5 -0.619 24.5-118.4 -71.1 148.6 0.4 72.9 -9.0 20 21 A L G > S+ 0 0 0 131,-2.4 3,-1.4 1,-0.3 -1,-0.1 0.821 113.6 64.3 -62.2 -31.4 2.4 72.2 -5.9 21 22 A T G 3 S+ 0 0 0 130,-0.3 214,-0.3 1,-0.3 -1,-0.3 0.782 99.8 53.6 -60.0 -24.7 5.6 72.9 -7.8 22 23 A E G < S+ 0 0 59 -3,-1.8 2,-0.3 209,-0.1 -1,-0.3 0.532 90.8 91.3 -87.8 -7.2 4.4 76.5 -8.2 23 24 A I S < S- 0 0 0 -3,-1.4 2,-0.8 -4,-0.5 -12,-0.0 -0.680 79.7-127.2 -88.6 142.1 3.8 77.0 -4.4 24 25 A N - 0 0 4 -2,-0.3 252,-0.2 272,-0.2 276,-0.2 -0.830 38.6-171.1 -91.1 111.1 6.7 78.4 -2.4 25 26 A I E -b 276 0B 0 250,-0.8 252,-1.8 -2,-0.8 2,-0.4 -0.935 20.7-141.4-114.6 131.8 7.0 75.8 0.4 26 27 A P E -b 277 0B 0 0, 0.0 35,-3.1 0, 0.0 36,-1.7 -0.657 27.4-176.5 -86.6 135.0 9.0 75.9 3.6 27 28 A G E -bc 278 62B 0 250,-3.0 252,-2.7 -2,-0.4 2,-0.5 -0.881 21.9-126.8-122.1 169.1 10.6 72.6 4.5 28 29 A S E > -bc 279 63B 0 34,-2.2 36,-1.6 -2,-0.3 3,-0.7 -0.955 20.0-131.2-118.4 132.3 12.6 71.3 7.4 29 30 A H T 3 S- 0 0 23 250,-2.5 252,-0.2 -2,-0.5 4,-0.2 -0.586 91.1 -5.2 -81.5 130.3 15.9 69.5 6.9 30 31 A D T > S- 0 0 4 -2,-0.3 3,-2.1 1,-0.1 17,-0.3 0.955 85.6-167.8 43.9 57.9 16.2 66.1 8.8 31 32 A S G X S+ 0 0 0 33,-1.2 3,-0.6 -3,-0.7 34,-0.1 0.706 71.4 58.1 -42.8 -41.1 12.9 67.0 10.4 32 33 A G G > S+ 0 0 0 32,-0.4 3,-0.9 1,-0.2 -1,-0.3 0.306 74.6 96.0 -84.4 6.9 12.8 64.4 13.1 33 34 A S G X + 0 0 0 -3,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.366 52.4 96.3 -77.4 1.2 16.1 65.5 14.8 34 35 A F G < S+ 0 0 21 -3,-0.6 -1,-0.2 1,-0.3 17,-0.1 0.671 72.6 70.9 -61.3 -19.6 14.2 67.6 17.4 35 36 A T G < S+ 0 0 32 -3,-0.9 -1,-0.3 49,-0.2 2,-0.2 0.626 73.1 107.4 -69.4 -20.5 14.5 64.6 19.8 36 37 A L < + 0 0 1 -3,-1.7 12,-0.1 12,-0.2 48,-0.1 -0.483 31.1 161.8 -73.6 134.3 18.3 65.0 20.3 37 38 A K + 0 0 157 -2,-0.2 -1,-0.1 9,-0.0 -3,-0.0 0.540 39.8 108.8-125.1 -13.7 19.4 66.3 23.7 38 39 A D > - 0 0 71 1,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.491 57.1-155.6 -67.1 113.0 23.2 65.2 23.8 39 40 A P H > S+ 0 0 106 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.771 87.9 48.8 -74.4 -18.0 24.9 68.6 23.4 40 41 A V H 4 S+ 0 0 96 2,-0.2 4,-0.4 1,-0.1 3,-0.3 0.917 117.8 38.3 -76.8 -47.6 28.1 67.2 22.0 41 42 A K H >> S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 3,-1.3 0.850 108.4 66.8 -73.4 -34.0 26.4 65.0 19.3 42 43 A S H 3X S+ 0 0 16 -4,-2.8 4,-1.5 1,-0.2 209,-0.3 0.799 82.4 75.5 -60.9 -26.7 23.8 67.8 18.7 43 44 A V H 3< S+ 0 0 30 -4,-0.7 208,-2.1 -3,-0.3 209,-0.3 0.872 119.8 10.0 -45.5 -43.9 26.5 70.1 17.3 44 45 A W H <4 S+ 0 0 76 -3,-1.3 199,-0.3 -4,-0.4 -1,-0.2 0.602 133.6 46.5-111.2 -28.9 26.5 68.1 14.0 45 46 A A H < S+ 0 0 0 -4,-2.4 2,-0.4 197,-0.1 -3,-0.2 0.651 93.7 78.9 -95.4 -21.8 23.5 65.7 14.3 46 47 A K < + 0 0 32 -4,-1.5 205,-0.3 -5,-0.3 206,-0.2 -0.751 39.9 159.4 -96.3 135.9 20.7 68.0 15.5 47 48 A T + 0 0 0 -2,-0.4 234,-3.4 -17,-0.3 2,-0.3 0.419 61.1 37.4-134.6 0.4 19.0 70.2 12.9 48 49 A Q - 0 0 0 232,-0.2 -1,-0.3 -15,-0.2 -12,-0.2 -0.993 44.0-169.0-146.4 152.8 15.6 71.1 14.5 49 50 A D + 0 0 64 -2,-0.3 2,-0.3 233,-0.3 -1,-0.1 0.526 68.2 80.6-119.0 -3.9 14.3 71.9 17.9 50 51 A K S S- 0 0 52 232,-0.2 -16,-0.2 1,-0.1 232,-0.1 -0.783 78.6-120.1 -97.1 143.0 10.4 71.8 17.2 51 52 A D > - 0 0 63 -2,-0.3 4,-3.0 -17,-0.1 5,-0.2 -0.160 37.2 -94.0 -73.9 173.8 8.5 68.5 17.1 52 53 A Y H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.927 124.7 47.6 -58.4 -50.4 6.6 67.5 13.9 53 54 A L H > S+ 0 0 37 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 113.4 48.4 -61.4 -35.4 3.2 69.0 15.0 54 55 A T H > S+ 0 0 48 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.921 110.0 51.8 -71.0 -39.4 4.8 72.3 16.1 55 56 A Q H <>S+ 0 0 0 -4,-3.0 5,-2.5 2,-0.2 -2,-0.2 0.917 111.3 49.3 -58.8 -45.6 6.7 72.5 12.8 56 57 A M H ><5S+ 0 0 0 -4,-2.6 3,-2.4 1,-0.2 -2,-0.2 0.944 110.0 49.0 -60.9 -42.8 3.4 72.0 11.0 57 58 A K H 3<5S+ 0 0 106 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.777 106.9 58.2 -70.2 -23.2 1.6 74.7 13.1 58 59 A S T 3<5S- 0 0 31 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.430 127.8 -98.5 -84.4 1.2 4.6 76.9 12.2 59 60 A G T < 5S+ 0 0 0 -3,-2.4 2,-0.2 1,-0.3 -3,-0.2 0.432 71.2 147.1 102.7 0.8 3.9 76.5 8.4 60 61 A V < + 0 0 0 -5,-2.5 -1,-0.3 -6,-0.2 -33,-0.2 -0.531 10.8 165.1 -73.7 131.9 6.4 73.7 7.4 61 62 A R + 0 0 0 -35,-3.1 47,-3.1 -2,-0.2 2,-0.6 0.561 54.6 66.6-123.5 -9.1 4.9 71.6 4.7 62 63 A F E -cd 27 108B 1 -36,-1.7 -34,-2.2 45,-0.2 2,-0.5 -0.961 64.9-165.9-112.6 123.8 7.9 69.6 3.2 63 64 A F E -cd 28 109B 0 45,-2.8 47,-2.7 -2,-0.6 2,-0.9 -0.953 12.4-148.9-114.7 129.3 9.4 67.1 5.6 64 65 A D E - d 0 110B 1 -36,-1.6 -33,-1.2 -2,-0.5 2,-0.6 -0.844 21.5-177.9 -98.2 100.7 12.8 65.5 5.0 65 66 A I E - d 0 111B 0 45,-2.1 47,-1.6 -2,-0.9 2,-0.4 -0.883 4.8-178.8-106.4 118.6 12.6 62.1 6.5 66 67 A R E + d 0 112B 24 -2,-0.6 12,-2.8 12,-0.3 2,-0.3 -0.954 17.0 174.5-118.0 142.7 15.8 60.0 6.3 67 68 A G E -Ed 77 113B 0 45,-2.5 47,-3.2 -2,-0.4 48,-0.9 -0.837 32.4-137.2-144.8 174.8 15.7 56.5 7.8 68 69 A R E -E 76 0B 56 8,-2.5 8,-3.5 -2,-0.3 2,-0.7 -0.994 32.5-118.8-141.2 134.5 17.2 53.1 8.5 69 70 A A E +E 75 0B 0 46,-0.4 49,-2.5 -2,-0.4 6,-0.2 -0.716 35.4 173.4 -72.2 111.8 15.3 49.8 8.2 70 71 A S E + 0 0 26 4,-1.5 2,-0.3 -2,-0.7 -1,-0.2 0.586 67.5 5.6 -99.4 -13.7 15.5 48.5 11.8 71 72 A A E > S-E 74 0B 23 3,-1.5 3,-1.7 49,-0.1 -1,-0.2 -0.963 86.2 -94.3-156.8 163.7 13.2 45.5 11.1 72 73 A D T 3 S+ 0 0 49 -2,-0.3 60,-0.1 1,-0.3 3,-0.1 0.629 129.2 31.5 -57.4 -13.8 11.5 43.9 8.2 73 74 A N T 3 S+ 0 0 87 1,-0.1 2,-0.4 58,-0.0 -1,-0.3 0.138 112.1 72.8-125.6 19.0 8.4 46.0 9.1 74 75 A M E < -E 71 0B 68 -3,-1.7 -4,-1.5 14,-0.0 -3,-1.5 -0.995 49.5-164.9-142.6 134.0 10.0 49.1 10.6 75 76 A I E -E 69 0B 0 -2,-0.4 13,-2.8 -6,-0.2 2,-0.4 -0.975 18.9-152.8-111.8 126.4 11.8 52.2 9.4 76 77 A S E -EF 68 87B 6 -8,-3.5 -8,-2.5 -2,-0.5 2,-0.3 -0.802 21.8-114.9 -95.1 144.0 13.6 54.2 12.1 77 78 A V E +E 67 0B 2 9,-2.9 7,-3.0 -2,-0.4 9,-0.4 -0.645 47.0 173.6 -86.5 132.1 14.2 57.9 11.6 78 79 A H E - F 0 83B 5 -12,-2.8 2,-0.5 -2,-0.3 -12,-0.3 -0.929 46.0-146.3-138.3 155.0 18.0 58.8 11.4 79 80 A H E > S- F 0 82B 36 3,-2.7 3,-2.3 -2,-0.3 -12,-0.0 -0.936 82.4 -67.4-114.5 96.3 20.6 61.4 10.8 80 81 A G T 3 S- 0 0 20 -2,-0.5 34,-0.1 1,-0.3 -1,-0.1 -0.322 120.7 -7.1 51.9-126.2 23.1 59.0 9.1 81 82 A M T 3 S+ 0 0 122 -3,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.711 117.1 99.3 -62.7 -25.3 24.3 56.6 11.9 82 83 A V E < -F 79 0B 7 -3,-2.3 -3,-2.7 1,-0.1 2,-0.2 -0.578 69.2-141.4 -79.9 114.3 22.4 58.6 14.5 83 84 A Y E -F 78 0B 84 -2,-0.6 -5,-0.2 -5,-0.2 -2,-0.1 -0.497 2.8-149.4 -70.8 136.7 19.0 57.2 15.6 84 85 A L E - 0 0 0 -7,-3.0 -49,-0.2 2,-0.3 -6,-0.1 0.203 39.7-109.7-101.3 17.0 16.4 59.9 16.2 85 86 A H E S+ 0 0 105 -8,-0.2 2,-0.3 1,-0.1 -7,-0.1 0.537 88.2 72.9 80.7 8.1 14.5 58.0 18.9 86 87 A H E - 0 0 12 -9,-0.4 -9,-2.9 -54,-0.0 -2,-0.3 -0.991 69.0-127.1-149.8 158.0 11.4 57.3 16.8 87 88 A E E >> -F 76 0B 50 -2,-0.3 3,-1.7 -11,-0.3 4,-0.7 -0.585 41.7 -97.6-102.9 168.9 10.1 55.2 13.8 88 89 A L H >> S+ 0 0 0 -13,-2.8 4,-2.3 1,-0.3 3,-0.6 0.814 114.9 71.4 -60.1 -32.0 8.4 56.5 10.8 89 90 A G H 3> S+ 0 0 16 -14,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.794 91.8 59.5 -55.2 -26.9 4.8 55.7 12.2 90 91 A K H <> S+ 0 0 82 -3,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.919 107.0 44.4 -69.0 -42.5 5.2 58.6 14.6 91 92 A F H < S+ 0 0 71 -4,-1.9 3,-1.4 -5,-0.2 56,-0.3 -0.744 74.8 172.7-134.3 76.2 -6.2 71.5 8.7 103 104 A P T 3 + 0 0 69 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.531 68.1 63.8 -80.1 -2.0 -7.6 69.6 5.7 104 105 A N T 3 S+ 0 0 67 53,-0.2 2,-0.3 54,-0.1 53,-0.1 0.180 87.2 86.6-104.2 8.2 -6.8 72.1 3.0 105 106 A E < - 0 0 1 -3,-1.4 53,-3.4 -6,-0.2 2,-0.4 -0.812 64.1-151.0 -94.8 154.2 -3.0 71.8 3.5 106 107 A T - 0 0 0 -2,-0.3 2,-0.4 51,-0.3 54,-0.2 -0.937 4.3-147.8-120.2 151.2 -0.9 69.2 1.8 107 108 A I E - g 0 160B 0 52,-2.0 54,-3.1 -2,-0.4 2,-0.5 -0.958 3.0-153.3-113.3 135.8 2.4 67.7 3.2 108 109 A V E -dg 62 161B 0 -47,-3.1 -45,-2.8 -2,-0.4 2,-0.6 -0.950 14.4-163.8-106.1 124.8 5.2 66.7 0.9 109 110 A M E -dg 63 162B 0 52,-2.5 54,-2.5 -2,-0.5 2,-0.3 -0.948 5.8-155.9-115.6 113.6 7.3 63.9 2.6 110 111 A S E -dg 64 163B 0 -47,-2.7 -45,-2.1 -2,-0.6 2,-0.4 -0.655 11.3-161.6 -82.8 140.4 10.8 63.1 1.2 111 112 A M E +dg 65 164B 0 52,-1.9 54,-2.4 -2,-0.3 55,-0.3 -0.994 17.9 161.6-130.8 122.1 11.9 59.5 2.1 112 113 A K E -d 66 0B 46 -47,-1.6 -45,-2.5 -2,-0.4 2,-0.5 -0.989 39.9-121.6-139.7 147.0 15.6 58.5 1.9 113 114 A K E +d 67 0B 92 -2,-0.3 -45,-0.2 52,-0.3 3,-0.1 -0.786 30.7 175.6 -88.1 125.4 17.7 55.7 3.3 114 115 A D + 0 0 32 -47,-3.2 2,-0.3 -2,-0.5 -46,-0.2 0.471 59.3 17.0-112.0 -3.8 20.4 57.3 5.4 115 116 A Y S S- 0 0 94 -48,-0.9 -46,-0.4 -34,-0.1 -1,-0.2 -0.985 88.7 -77.6-164.4 155.7 22.2 54.2 6.9 116 117 A D - 0 0 111 -2,-0.3 3,-0.1 -48,-0.1 -2,-0.0 -0.167 55.3 -99.1 -60.6 146.8 22.6 50.5 6.4 117 118 A S - 0 0 33 1,-0.1 -47,-0.2 -49,-0.1 -1,-0.1 -0.178 42.6 -88.2 -64.8 154.6 19.9 48.2 7.6 118 119 A D > - 0 0 40 -49,-2.5 3,-1.9 1,-0.1 -1,-0.1 -0.277 44.5-111.7 -57.1 147.4 19.9 46.2 10.9 119 120 A S T 3 S+ 0 0 120 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.798 115.8 57.6 -61.3 -28.1 21.6 42.9 10.3 120 121 A K T 3 S+ 0 0 154 -50,-0.2 -1,-0.3 2,-0.0 -48,-0.1 0.644 82.5 109.3 -73.5 -14.3 18.3 40.9 10.8 121 122 A V < + 0 0 23 -3,-1.9 -4,-0.0 -52,-0.2 -52,-0.0 -0.412 38.4 174.5 -71.8 138.7 16.6 42.8 8.0 122 123 A T + 0 0 113 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.464 55.9 70.9-116.5 -7.1 15.9 40.8 4.8 123 124 A K S S- 0 0 46 1,-0.1 2,-0.1 2,-0.0 -54,-0.1 -0.700 86.4-100.6-112.4 156.5 14.0 43.2 2.6 124 125 A T > - 0 0 76 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.407 32.4-114.1 -68.5 158.6 15.1 46.3 0.8 125 126 A F H > S+ 0 0 7 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.917 120.4 52.1 -60.2 -43.4 14.4 49.8 2.4 126 127 A E H > S+ 0 0 19 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.932 108.0 50.1 -61.0 -42.7 12.1 50.5 -0.6 127 128 A E H > S+ 0 0 52 2,-0.2 4,-3.2 1,-0.2 5,-0.4 0.916 112.1 49.1 -56.2 -46.9 10.2 47.1 -0.1 128 129 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.930 113.3 44.2 -63.4 -49.0 9.7 47.9 3.6 129 130 A F H X>S+ 0 0 0 -4,-2.9 5,-2.8 -5,-0.2 4,-1.3 0.937 117.2 46.7 -60.1 -46.8 8.4 51.4 3.0 130 131 A R H <>S+ 0 0 40 -4,-2.8 5,-2.5 -5,-0.2 -2,-0.2 0.955 122.1 32.5 -61.8 -50.2 6.1 50.3 0.1 131 132 A E H <5S+ 0 0 78 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.859 127.9 34.8 -80.4 -29.4 4.6 47.2 1.9 132 133 A Y H <5S+ 0 0 85 -4,-2.1 -3,-0.2 -5,-0.4 -1,-0.2 0.487 133.8 14.4-109.4 -6.2 4.5 48.4 5.6 133 134 A Y T ><5S+ 0 0 13 -4,-1.3 3,-0.9 -5,-0.3 6,-0.3 0.554 126.5 40.6-125.7 -69.5 3.8 52.1 5.2 134 135 A Y T 3 S+ 0 0 102 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.835 102.0 69.2 -57.5 -31.1 -4.2 49.6 5.7 138 139 A Q G 3 S+ 0 0 109 1,-0.3 -2,-0.1 3,-0.0 -5,-0.0 0.777 103.3 42.1 -52.1 -30.1 -3.5 51.7 8.7 139 140 A Y G X> S+ 0 0 10 -3,-2.7 3,-2.2 -6,-0.3 4,-0.7 0.102 80.9 147.2-112.0 22.3 -2.5 54.6 6.4 140 141 A Q T <4 S+ 0 0 128 -3,-2.0 -5,-0.1 1,-0.3 -6,-0.0 -0.333 75.4 12.3 -53.9 135.9 -5.4 54.1 3.9 141 142 A N T 34 S+ 0 0 136 2,-0.1 -1,-0.3 1,-0.1 4,-0.1 0.212 104.2 97.0 74.1 -9.8 -6.4 57.4 2.6 142 143 A L T <4 S+ 0 0 10 -3,-2.2 18,-2.3 17,-0.1 2,-0.2 0.896 73.2 63.7 -76.6 -41.8 -3.3 59.2 4.0 143 144 A F B < S-h 160 0B 6 -4,-0.7 2,-0.4 16,-0.3 18,-0.2 -0.546 89.2-109.2 -84.7 143.6 -1.1 59.2 0.9 144 145 A Y + 0 0 6 16,-3.2 18,-0.3 -2,-0.2 29,-0.1 -0.590 39.9 172.3 -60.8 120.3 -1.6 60.9 -2.4 145 146 A T + 0 0 104 -2,-0.4 -1,-0.1 -4,-0.1 11,-0.1 0.171 31.3 123.3-119.4 16.0 -2.4 57.9 -4.7 146 147 A G - 0 0 25 9,-0.1 28,-0.2 1,-0.1 -2,-0.0 -0.159 64.0-126.7 -76.5 170.2 -3.4 59.8 -7.9 147 148 A S + 0 0 123 26,-0.1 2,-0.5 3,-0.0 -1,-0.1 0.326 69.1 115.1-102.1 13.3 -1.8 59.4 -11.3 148 149 A N - 0 0 61 1,-0.2 26,-0.3 4,-0.1 -2,-0.1 -0.743 51.5-157.6 -83.4 126.8 -0.9 63.0 -12.1 149 150 A A S S+ 0 0 27 -2,-0.5 -1,-0.2 1,-0.3 27,-0.1 0.690 94.7 39.6 -73.9 -16.3 2.9 63.4 -12.2 150 151 A N S S- 0 0 10 25,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 -0.635 91.3-164.7-130.0 73.5 2.4 67.2 -11.5 151 152 A P - 0 0 1 0, 0.0 -131,-2.4 0, 0.0 -130,-0.3 -0.183 10.6-130.6 -70.0 148.7 -0.4 67.2 -8.9 152 153 A T B > -A 19 0A 26 -133,-0.3 4,-1.0 -132,-0.1 -133,-0.3 -0.503 25.2-109.5 -87.1 168.3 -2.4 70.3 -7.9 153 154 A L H >> S+ 0 0 1 -135,-2.6 4,-2.3 -137,-0.3 3,-0.5 0.878 117.4 58.6 -59.9 -38.6 -3.1 71.5 -4.4 154 155 A K H 34 S+ 0 0 122 -138,-2.5 -1,-0.2 -136,-0.3 -137,-0.1 0.924 108.6 41.9 -61.8 -40.5 -6.8 70.5 -4.8 155 156 A E H 34 S+ 0 0 62 -139,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.632 123.0 39.2 -87.0 -7.0 -6.0 66.9 -5.5 156 157 A T H X< S+ 0 0 0 -4,-1.0 3,-1.8 -3,-0.5 -49,-0.3 0.597 81.6 114.4-110.2 -15.5 -3.3 66.6 -2.8 157 158 A K T 3< S+ 0 0 52 -4,-2.3 -51,-0.3 1,-0.3 -53,-0.2 -0.213 81.5 26.3 -64.2 141.2 -4.7 68.6 0.1 158 159 A G T 3 S+ 0 0 26 -53,-3.4 2,-0.3 -56,-0.3 -1,-0.3 0.430 115.5 80.5 87.3 -2.8 -5.5 66.5 3.1 159 160 A K S < S- 0 0 69 -3,-1.8 -52,-2.0 -54,-0.3 2,-0.5 -0.814 79.4-113.2-134.5 165.6 -2.8 63.9 2.0 160 161 A I E -gh 107 143B 0 -18,-2.3 -16,-3.2 -2,-0.3 2,-0.6 -0.920 25.8-150.2 -98.7 130.5 0.9 63.3 2.1 161 162 A V E -g 108 0B 0 -54,-3.1 -52,-2.5 -2,-0.5 2,-0.2 -0.876 19.3-126.4-102.2 122.9 2.7 63.4 -1.3 162 163 A L E -g 109 0B 1 -2,-0.6 13,-2.2 -18,-0.3 2,-0.5 -0.452 16.9-165.3 -64.4 133.9 5.7 61.1 -1.5 163 164 A F E -gi 110 175B 1 -54,-2.5 -52,-1.9 11,-0.2 2,-0.8 -0.968 27.5-142.7-115.9 105.0 9.0 62.8 -2.7 164 165 A N E +g 111 0B 0 11,-2.9 18,-0.4 -2,-0.5 3,-0.2 -0.650 43.4 154.4 -91.5 110.3 11.0 59.7 -3.4 165 166 A R + 0 0 34 -54,-2.4 -52,-0.3 -2,-0.8 -1,-0.2 0.287 55.0 95.6-101.8 5.5 14.7 59.6 -2.6 166 167 A M S S- 0 0 31 -55,-0.3 2,-0.2 1,-0.3 -40,-0.2 0.567 90.8-117.9 -73.5 -7.3 14.8 55.8 -2.2 167 168 A G S S+ 0 0 26 -3,-0.2 -1,-0.3 9,-0.1 14,-0.2 -0.644 74.6 4.2 93.2-163.1 15.9 55.1 -5.7 168 169 A G S S- 0 0 40 12,-0.3 2,-0.3 -2,-0.2 11,-0.3 -0.251 75.8-178.0 -58.5 142.8 13.7 53.1 -8.1 169 170 A T - 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