==== 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 4I8Y . 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 . 303 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 6.9 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 . 1 0.3 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 . 30 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 21.1 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 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 . 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 0 177 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.4 -3.2 90.2 7.5 2 3 A S > - 0 0 51 1,-0.1 3,-1.7 2,-0.1 4,-0.3 -0.104 360.0-103.4 -51.9 156.9 -0.2 89.0 5.5 3 4 A L G > S+ 0 0 6 1,-0.3 3,-1.4 297,-0.2 6,-0.2 0.795 115.0 63.6 -62.0 -31.1 -0.0 85.2 5.0 4 5 A S G 3 S+ 0 0 20 1,-0.3 -1,-0.3 290,-0.2 -2,-0.1 0.616 85.6 73.2 -72.6 -13.1 2.7 84.6 7.6 5 6 A K G < S+ 0 0 125 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.666 106.7 36.4 -77.2 -12.5 0.6 85.8 10.5 6 7 A S S X S+ 0 0 28 -3,-1.4 3,-1.3 -4,-0.3 -1,-0.3 -0.585 70.8 160.7-129.6 78.0 -1.4 82.6 10.3 7 8 A P G > + 0 0 30 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.737 63.1 74.3 -72.7 -16.7 1.2 80.1 9.4 8 9 A E G 3 S+ 0 0 58 1,-0.2 50,-0.1 50,-0.1 97,-0.1 0.702 116.6 13.7 -70.7 -16.0 -1.0 77.2 10.6 9 10 A N G X> S+ 0 0 33 -3,-1.3 3,-0.9 -6,-0.2 4,-0.7 0.013 78.6 133.7-149.3 32.4 -3.2 77.4 7.5 10 11 A W G X4 S+ 0 0 0 -3,-0.7 3,-0.9 1,-0.2 4,-0.2 0.830 72.0 59.1 -57.9 -33.7 -1.4 79.6 5.0 11 12 A M G >4 S+ 0 0 2 1,-0.2 3,-1.7 -4,-0.2 -1,-0.2 0.822 94.8 64.5 -65.1 -29.7 -2.1 77.1 2.0 12 13 A S G <4 S+ 0 0 43 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.772 97.5 58.4 -60.3 -24.4 -5.8 77.5 2.6 13 14 A K G << S+ 0 0 106 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.479 95.2 82.6 -85.6 -5.7 -5.4 81.1 1.6 14 15 A L S < S- 0 0 17 -3,-1.7 2,-0.6 -4,-0.2 288,-0.1 -0.548 94.2 -91.0 -94.8 169.7 -4.0 80.3 -1.8 15 16 A D > - 0 0 74 -2,-0.2 3,-1.9 1,-0.1 138,-0.2 -0.641 31.3-151.1 -74.0 114.2 -5.6 79.5 -5.1 16 17 A D T 3 S+ 0 0 33 -2,-0.6 138,-3.0 1,-0.3 139,-0.3 0.483 86.8 80.1 -74.6 1.1 -5.8 75.6 -5.1 17 18 A G T 3 S+ 0 0 42 136,-0.2 -1,-0.3 135,-0.1 -2,-0.0 0.624 74.0 102.3 -76.4 -16.5 -5.5 75.7 -8.9 18 19 A K S < S- 0 0 45 -3,-1.9 135,-3.3 134,-0.1 2,-0.3 -0.329 79.3-117.7 -66.1 144.2 -1.7 76.1 -8.5 19 20 A H B >> -A 152 0A 37 133,-0.3 3,-2.2 1,-0.1 4,-0.7 -0.669 25.6-120.9 -75.0 141.5 0.7 73.2 -9.0 20 21 A L G >4 S+ 0 0 0 131,-2.0 3,-1.2 -2,-0.3 -1,-0.1 0.863 112.9 66.1 -52.4 -34.3 2.6 72.6 -5.8 21 22 A T G 34 S+ 0 0 0 130,-0.4 214,-0.3 1,-0.3 -1,-0.3 0.777 100.0 50.3 -56.1 -26.2 5.8 73.3 -7.8 22 23 A E G <4 S+ 0 0 58 -3,-2.2 -1,-0.3 212,-0.1 2,-0.2 0.631 92.8 92.4 -92.5 -14.4 4.7 76.9 -8.2 23 24 A I S << S- 0 0 1 -3,-1.2 2,-0.8 -4,-0.7 -12,-0.0 -0.536 80.4-125.9 -77.4 143.5 4.0 77.4 -4.5 24 25 A N - 0 0 4 -2,-0.2 252,-0.2 273,-0.1 276,-0.2 -0.830 38.9-173.6 -91.5 112.0 6.8 78.7 -2.3 25 26 A I E -b 276 0B 0 -2,-0.8 252,-2.2 250,-0.8 2,-0.4 -0.905 21.3-139.6-117.5 128.9 7.1 76.2 0.4 26 27 A P E -b 277 0B 0 0, 0.0 35,-2.5 0, 0.0 36,-1.9 -0.738 24.8-172.2 -83.4 140.6 9.2 76.1 3.5 27 28 A G E -bc 278 62B 0 250,-3.0 252,-2.8 -2,-0.4 2,-0.4 -0.820 19.9-131.9-125.7 161.3 10.8 72.8 4.5 28 29 A S E > -bc 279 63B 0 34,-1.8 36,-1.5 -2,-0.3 3,-0.8 -0.967 22.3-130.2-119.7 128.8 12.8 71.6 7.5 29 30 A H T 3 S- 0 0 22 250,-2.8 252,-0.3 -2,-0.4 4,-0.2 -0.642 92.7 -2.0 -82.0 130.6 16.0 69.7 6.9 30 31 A D T > S- 0 0 4 -2,-0.3 3,-2.1 1,-0.1 17,-0.3 0.950 85.0-166.5 44.6 59.0 16.1 66.4 8.9 31 32 A S G X S+ 0 0 0 33,-1.1 3,-0.7 -3,-0.8 34,-0.1 0.778 74.2 57.0 -43.2 -42.7 12.7 67.3 10.3 32 33 A G G > S+ 0 0 1 32,-0.5 3,-1.1 1,-0.2 -1,-0.3 0.404 75.0 95.3 -80.0 5.1 12.7 64.7 13.0 33 34 A S G X + 0 0 0 -3,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.449 52.7 97.7 -80.9 5.8 16.0 65.7 14.9 34 35 A F G < S+ 0 0 25 -3,-0.7 -1,-0.3 1,-0.3 17,-0.1 0.735 72.1 69.9 -63.0 -19.8 14.1 67.8 17.4 35 36 A T G < S+ 0 0 29 -3,-1.1 -1,-0.3 49,-0.2 2,-0.2 0.652 73.7 109.0 -70.3 -14.8 14.4 64.8 19.7 36 37 A L < + 0 0 2 -3,-1.9 48,-0.1 12,-0.2 12,-0.1 -0.461 28.3 158.3 -75.8 133.0 18.2 65.2 20.2 37 38 A K + 0 0 158 -2,-0.2 -1,-0.2 9,-0.0 -2,-0.0 0.541 38.6 109.3-122.9 -23.3 19.3 66.4 23.7 38 39 A D > - 0 0 70 1,-0.2 4,-2.5 2,-0.1 5,-0.1 -0.498 58.8-153.2 -59.7 117.4 23.0 65.2 23.8 39 40 A P H > S+ 0 0 102 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.811 90.1 46.1 -71.2 -34.9 24.9 68.5 23.5 40 41 A V H >4 S+ 0 0 113 2,-0.2 3,-0.5 1,-0.1 4,-0.4 0.937 118.4 41.8 -70.9 -49.8 28.0 67.1 21.9 41 42 A K H >> S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 3,-1.1 0.851 108.0 61.9 -65.9 -34.5 26.1 65.0 19.4 42 43 A S H 3X S+ 0 0 16 -4,-2.5 4,-1.3 1,-0.2 209,-0.3 0.741 84.9 76.4 -65.2 -27.7 23.6 67.8 18.7 43 44 A V H << S+ 0 0 26 -4,-0.8 208,-1.9 -3,-0.5 -1,-0.2 0.847 119.4 10.0 -47.3 -40.2 26.3 70.1 17.4 44 45 A W H <4 S+ 0 0 106 -3,-1.1 199,-0.3 -4,-0.4 -2,-0.2 0.615 135.1 43.5-119.1 -23.8 26.4 68.1 14.1 45 46 A A H < S+ 0 0 0 -4,-2.3 2,-0.5 197,-0.1 -3,-0.2 0.607 93.8 82.9-103.4 -18.8 23.3 65.8 14.2 46 47 A K < + 0 0 33 -4,-1.3 205,-0.3 -5,-0.3 206,-0.3 -0.799 40.1 157.8 -89.3 126.9 20.7 68.2 15.5 47 48 A T + 0 0 0 -2,-0.5 234,-3.7 -17,-0.3 2,-0.3 0.301 62.3 33.6-127.3 -0.5 19.0 70.4 12.8 48 49 A Q - 0 0 0 232,-0.2 -1,-0.2 -15,-0.2 -12,-0.2 -0.992 44.6-168.8-148.7 156.0 15.7 71.4 14.5 49 50 A D + 0 0 64 -2,-0.3 2,-0.4 233,-0.3 -1,-0.1 0.469 67.6 82.2-124.4 -3.4 14.2 72.1 17.9 50 51 A K S S- 0 0 53 232,-0.2 -16,-0.3 1,-0.1 232,-0.1 -0.842 78.6-120.0 -97.7 135.1 10.4 72.1 17.2 51 52 A D > - 0 0 65 -2,-0.4 4,-2.6 -17,-0.1 5,-0.2 -0.030 36.6 -93.5 -62.5 172.0 8.5 68.9 17.0 52 53 A Y H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.944 125.1 48.5 -53.8 -48.6 6.5 67.9 13.9 53 54 A L H > S+ 0 0 49 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.899 113.2 47.7 -66.5 -35.5 3.2 69.4 15.0 54 55 A T H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 110.4 51.3 -72.7 -37.8 4.9 72.7 16.0 55 56 A Q H <>S+ 0 0 1 -4,-2.6 5,-2.6 2,-0.2 -1,-0.2 0.912 111.8 47.4 -58.9 -45.6 6.8 72.9 12.8 56 57 A M H ><5S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.929 110.7 52.3 -63.1 -48.2 3.5 72.4 10.9 57 58 A K H 3<5S+ 0 0 108 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.825 106.1 54.1 -53.6 -37.2 1.8 75.0 13.1 58 59 A S T 3<5S- 0 0 26 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.373 130.3 -96.1 -85.7 9.7 4.7 77.4 12.2 59 60 A G T < 5S+ 0 0 0 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.503 70.8 150.3 102.0 6.2 3.9 76.8 8.5 60 61 A V < + 0 0 1 -5,-2.6 -1,-0.3 -6,-0.1 -33,-0.2 -0.588 7.6 164.5 -74.9 136.2 6.4 74.1 7.4 61 62 A R + 0 0 2 -35,-2.5 47,-3.0 -2,-0.2 2,-0.6 0.502 56.7 70.2-126.4 -19.5 4.9 71.9 4.6 62 63 A F E -cd 27 108B 2 -36,-1.9 -34,-1.8 45,-0.2 2,-0.5 -0.939 64.8-169.3-104.9 117.0 8.0 70.1 3.2 63 64 A F E -cd 28 109B 0 45,-3.1 47,-3.3 -2,-0.6 2,-0.8 -0.957 12.9-151.1-112.0 128.3 9.4 67.5 5.6 64 65 A D E + d 0 110B 1 -36,-1.5 -33,-1.1 -2,-0.5 2,-0.6 -0.837 20.7 179.5 -98.7 96.7 12.8 65.8 5.0 65 66 A I E + d 0 111B 0 45,-2.3 47,-1.5 -2,-0.8 2,-0.4 -0.930 5.2 179.4-104.4 123.5 12.6 62.4 6.5 66 67 A R E + d 0 112B 23 -2,-0.6 12,-2.7 12,-0.4 2,-0.3 -0.950 17.9 172.6-119.7 141.0 15.7 60.1 6.2 67 68 A G E -Ed 77 113B 0 45,-2.8 47,-2.6 -2,-0.4 48,-0.9 -0.827 31.4-127.0-141.4 178.6 15.5 56.8 7.8 68 69 A R E -E 76 0B 55 8,-2.6 8,-2.7 -2,-0.3 2,-0.8 -0.997 30.1-118.7-134.3 133.8 16.9 53.4 8.5 69 70 A A E +E 75 0B 0 46,-0.5 49,-2.6 -2,-0.4 6,-0.2 -0.584 38.9 169.7 -64.5 105.5 15.2 50.0 7.9 70 71 A S E + 0 0 30 4,-1.7 2,-0.3 -2,-0.8 -1,-0.2 0.554 67.0 1.7 -97.8 -12.3 15.3 48.7 11.6 71 72 A A E > S-E 74 0B 34 3,-1.3 3,-2.1 48,-0.0 -1,-0.3 -0.927 87.4 -93.7-159.3 161.1 13.0 45.6 11.0 72 73 A D T 3 S+ 0 0 46 -2,-0.3 60,-0.1 1,-0.3 3,-0.1 0.596 129.2 33.6 -54.6 -11.5 11.2 44.2 7.9 73 74 A N T 3 S+ 0 0 79 1,-0.1 2,-0.4 59,-0.0 -1,-0.3 0.181 111.6 76.6-128.3 16.5 8.2 46.3 8.8 74 75 A M E < -E 71 0B 61 -3,-2.1 -4,-1.7 14,-0.0 -3,-1.3 -0.983 48.4-168.6-143.2 131.8 9.8 49.3 10.4 75 76 A I E -E 69 0B 0 -2,-0.4 13,-2.9 -6,-0.2 2,-0.4 -0.972 15.9-155.5-117.4 128.0 11.6 52.4 9.4 76 77 A S E -EF 68 87B 6 -8,-2.7 -8,-2.6 -2,-0.5 2,-0.3 -0.829 21.8-117.8 -98.5 143.7 13.4 54.5 12.1 77 78 A V E +E 67 0B 3 9,-2.1 7,-2.7 -2,-0.4 9,-0.4 -0.633 45.7 171.3 -83.5 136.5 14.0 58.2 11.6 78 79 A H E - F 0 83B 7 -12,-2.7 2,-0.6 -2,-0.3 -12,-0.4 -0.965 46.1-140.1-145.0 153.4 17.8 59.0 11.5 79 80 A H E > S- F 0 82B 34 3,-2.8 3,-2.1 -2,-0.3 2,-0.3 -0.886 82.7 -66.9-107.6 89.6 20.5 61.6 10.9 80 81 A G T 3 S- 0 0 20 -2,-0.6 34,-0.2 1,-0.3 -35,-0.0 -0.506 122.6 -6.6 61.0-119.5 22.9 59.2 9.1 81 82 A M T 3 S+ 0 0 119 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.681 116.4 99.0 -78.9 -18.8 24.0 56.8 11.9 82 83 A V E < -F 79 0B 9 -3,-2.1 -3,-2.8 -41,-0.1 2,-0.3 -0.611 68.6-141.5 -80.1 122.0 22.2 58.8 14.6 83 84 A Y E -F 78 0B 91 -2,-0.5 -5,-0.2 -5,-0.2 -2,-0.1 -0.652 2.7-149.6 -80.5 132.4 18.8 57.4 15.6 84 85 A L E - 0 0 1 -7,-2.7 -49,-0.2 -2,-0.3 -6,-0.1 0.170 41.0-108.6 -99.1 19.1 16.2 60.1 16.3 85 86 A H E S+ 0 0 105 -8,-0.2 2,-0.3 1,-0.1 -7,-0.1 0.608 87.1 67.1 76.0 16.0 14.2 58.1 18.8 86 87 A H E S- 0 0 17 -9,-0.4 -9,-2.1 -54,-0.0 -2,-0.3 -0.978 71.2-118.4-158.9 165.6 11.1 57.4 16.9 87 88 A E E >> -F 76 0B 48 -2,-0.3 3,-1.3 -11,-0.2 4,-0.7 -0.558 38.6 -99.4-102.8 169.5 9.8 55.4 13.9 88 89 A L H >> S+ 0 0 0 -13,-2.9 4,-2.3 1,-0.3 3,-0.8 0.858 115.0 71.7 -63.3 -33.0 8.2 56.7 10.7 89 90 A G H 3> S+ 0 0 10 -14,-0.3 4,-2.9 1,-0.3 -1,-0.3 0.844 93.1 59.4 -45.5 -39.7 4.7 55.9 12.1 90 91 A K H <> S+ 0 0 79 -3,-1.3 4,-1.9 2,-0.2 -1,-0.3 0.902 106.0 43.3 -61.9 -46.1 5.1 58.8 14.4 91 92 A F H < S+ 0 0 63 -4,-2.0 3,-1.4 -5,-0.2 56,-0.3 -0.716 72.9 174.7-132.1 85.5 -6.2 71.9 8.6 103 104 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.553 70.6 62.5 -81.6 -7.7 -7.7 70.0 5.6 104 105 A N T 3 S+ 0 0 69 53,-0.1 2,-0.3 54,-0.1 53,-0.1 0.255 86.5 86.7-102.6 14.3 -6.7 72.6 3.0 105 106 A E < - 0 0 1 -3,-1.4 53,-3.3 -6,-0.2 2,-0.4 -0.777 63.7-149.0-100.0 152.1 -3.0 72.2 3.5 106 107 A T - 0 0 0 -2,-0.3 2,-0.5 51,-0.3 54,-0.2 -0.931 4.9-148.1-114.7 148.1 -0.8 69.7 1.7 107 108 A I E - g 0 160B 0 52,-2.1 54,-3.3 -2,-0.4 2,-0.6 -0.957 2.3-153.8-112.5 133.9 2.4 68.1 3.1 108 109 A V E -dg 62 161B 0 -47,-3.0 -45,-3.1 -2,-0.5 2,-0.6 -0.937 13.9-163.0-101.6 122.3 5.2 67.0 0.9 109 110 A M E -dg 63 162B 0 52,-2.4 54,-3.1 -2,-0.6 2,-0.4 -0.911 5.3-154.9-112.9 111.3 7.2 64.2 2.6 110 111 A S E -dg 64 163B 0 -47,-3.3 -45,-2.3 -2,-0.6 2,-0.5 -0.733 11.3-161.6 -80.6 130.5 10.8 63.5 1.3 111 112 A M E +dg 65 164B 0 52,-2.0 54,-2.2 -2,-0.4 2,-0.3 -0.982 18.7 160.7-119.9 119.9 11.8 59.8 2.0 112 113 A K E -dg 66 165B 48 -47,-1.5 -45,-2.8 -2,-0.5 2,-0.5 -0.983 40.0-123.2-135.2 144.3 15.5 58.8 1.9 113 114 A K E +d 67 0B 91 52,-0.6 -45,-0.2 -2,-0.3 3,-0.1 -0.822 31.5 173.8 -85.1 123.3 17.6 55.9 3.2 114 115 A D + 0 0 32 -47,-2.6 2,-0.3 -2,-0.5 -46,-0.2 0.426 58.0 22.6-110.0 -8.4 20.3 57.4 5.4 115 116 A Y S S- 0 0 98 -48,-0.9 -46,-0.5 -34,-0.1 -1,-0.2 -0.992 88.9 -78.8-163.4 151.5 21.9 54.4 7.0 116 117 A D - 0 0 117 -2,-0.3 3,-0.1 -48,-0.1 -2,-0.1 -0.179 54.6-104.4 -53.2 141.1 22.4 50.6 6.5 117 118 A S - 0 0 34 1,-0.1 -47,-0.2 -49,-0.1 -1,-0.1 -0.218 43.0 -87.9 -62.3 152.9 19.5 48.3 7.5 118 119 A D > - 0 0 38 -49,-2.6 3,-2.3 1,-0.1 -1,-0.1 -0.369 42.9-113.0 -54.2 142.2 19.6 46.3 10.7 119 120 A S T 3 S+ 0 0 119 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.773 115.5 60.8 -56.9 -25.2 21.3 43.0 10.0 120 121 A K T 3 S+ 0 0 168 -50,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.563 79.5 106.6 -76.1 -8.9 17.9 41.1 10.6 121 122 A V < + 0 0 21 -3,-2.3 -4,-0.0 -52,-0.2 -52,-0.0 -0.540 42.0 178.4 -77.5 132.7 16.2 43.0 7.8 122 123 A T + 0 0 116 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.397 59.0 69.1-112.8 0.1 15.6 40.8 4.7 123 124 A K S S- 0 0 37 1,-0.1 -54,-0.0 2,-0.0 -52,-0.0 -0.839 86.2 -99.1-119.3 156.2 13.8 43.4 2.5 124 125 A T > - 0 0 82 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.288 31.0-118.1 -69.1 157.3 14.9 46.6 0.7 125 126 A F H > S+ 0 0 7 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.940 117.3 52.5 -59.9 -46.5 14.2 50.0 2.3 126 127 A E H > S+ 0 0 20 1,-0.2 4,-3.0 40,-0.2 -1,-0.2 0.901 109.3 48.7 -55.8 -43.8 12.0 50.8 -0.7 127 128 A E H > S+ 0 0 51 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.889 111.6 49.3 -64.2 -42.5 10.0 47.6 -0.3 128 129 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.4 0.928 113.4 46.4 -65.4 -45.3 9.5 48.2 3.4 129 130 A F H X>S+ 0 0 0 -4,-3.1 5,-2.5 -5,-0.2 4,-1.5 0.970 116.1 45.9 -57.9 -49.9 8.3 51.7 2.8 130 131 A R H <>S+ 0 0 43 -4,-3.0 5,-2.3 -5,-0.3 -2,-0.2 0.953 123.5 31.2 -61.8 -52.4 6.0 50.6 -0.0 131 132 A E H <5S+ 0 0 71 -4,-3.1 -1,-0.2 3,-0.2 -3,-0.2 0.848 127.2 35.6 -79.1 -37.3 4.4 47.6 1.7 132 133 A Y H <5S+ 0 0 86 -4,-2.4 -3,-0.2 -5,-0.3 -1,-0.2 0.517 134.1 14.7-101.2 -5.9 4.4 48.7 5.4 133 134 A Y T ><5S+ 0 0 5 -4,-1.5 3,-0.8 -5,-0.4 6,-0.3 0.578 125.6 40.4-123.6 -69.4 3.8 52.3 5.1 134 135 A Y T 3 S+ 0 0 107 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.844 100.7 71.8 -61.5 -26.9 -4.3 50.0 5.4 138 139 A Q G 3 S+ 0 0 112 1,-0.3 -2,-0.0 3,-0.0 -5,-0.0 0.828 103.1 38.8 -50.6 -34.0 -3.5 51.8 8.5 139 140 A Y G X> S+ 0 0 15 -3,-2.4 3,-1.6 -6,-0.3 4,-0.8 -0.090 85.1 152.3-112.0 29.7 -2.5 54.9 6.5 140 141 A Q T <4 S+ 0 0 134 -3,-2.0 -5,-0.1 1,-0.3 -6,-0.0 -0.401 71.4 8.7 -63.6 136.2 -5.2 54.5 3.9 141 142 A N T 34 S+ 0 0 128 2,-0.1 -1,-0.3 1,-0.1 4,-0.1 0.255 103.4 100.2 73.7 -11.5 -6.2 57.8 2.4 142 143 A L T <4 S+ 0 0 9 -3,-1.6 18,-2.6 17,-0.1 2,-0.2 0.907 73.1 63.7 -72.1 -39.6 -3.3 59.6 4.1 143 144 A F B < S-h 160 0B 7 -4,-0.8 2,-0.4 16,-0.2 18,-0.2 -0.585 91.5-108.3 -88.9 148.1 -1.1 59.6 1.0 144 145 A Y + 0 0 8 16,-3.4 18,-0.3 -2,-0.2 29,-0.1 -0.544 39.1 174.3 -61.8 119.8 -1.6 61.3 -2.4 145 146 A T + 0 0 104 -2,-0.4 -1,-0.1 -4,-0.1 11,-0.1 0.181 31.0 126.8-116.6 14.9 -2.4 58.3 -4.7 146 147 A G - 0 0 24 9,-0.2 28,-0.2 1,-0.1 -2,-0.0 -0.181 62.2-131.5 -68.7 166.8 -3.3 60.2 -7.9 147 148 A S + 0 0 125 26,-0.1 2,-0.4 3,-0.0 -1,-0.1 0.254 68.0 119.8-105.3 9.7 -1.7 59.7 -11.3 148 149 A N - 0 0 61 1,-0.1 26,-0.4 4,-0.1 -2,-0.1 -0.683 50.2-159.6 -78.1 127.7 -1.0 63.3 -11.9 149 150 A A S S+ 0 0 27 -2,-0.4 -1,-0.1 1,-0.3 27,-0.1 0.653 93.5 35.7 -77.0 -24.0 2.9 63.9 -12.4 150 151 A N S S- 0 0 10 25,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 -0.609 92.1-161.7-127.3 66.8 2.5 67.6 -11.5 151 152 A P - 0 0 0 0, 0.0 -131,-2.0 0, 0.0 -130,-0.4 -0.103 9.1-132.9 -61.8 148.1 -0.3 67.6 -8.9 152 153 A T B > -A 19 0A 27 -133,-0.3 4,-0.8 -132,-0.1 -133,-0.3 -0.585 26.4-106.4 -89.8 163.5 -2.2 70.8 -8.1 153 154 A L H >> S+ 0 0 1 -135,-3.3 4,-2.3 -138,-0.2 3,-0.8 0.896 116.8 57.3 -54.7 -41.5 -2.9 72.0 -4.6 154 155 A K H 34 S+ 0 0 121 -138,-3.0 -1,-0.2 -136,-0.3 -137,-0.1 0.904 107.6 45.8 -55.5 -43.7 -6.6 71.0 -4.8 155 156 A E H 34 S+ 0 0 55 -139,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.623 121.0 37.2 -83.3 -7.6 -5.9 67.4 -5.6 156 157 A T H X< S+ 0 0 0 -4,-0.8 3,-1.7 -3,-0.8 -49,-0.3 0.615 82.8 112.6-112.7 -19.2 -3.2 67.0 -2.8 157 158 A K T 3< S+ 0 0 50 -4,-2.3 -51,-0.3 1,-0.3 -53,-0.1 -0.209 80.2 30.5 -62.6 142.9 -4.5 69.0 0.1 158 159 A G T 3 S+ 0 0 28 -53,-3.3 2,-0.3 -56,-0.3 -1,-0.3 0.380 116.4 83.2 87.9 -2.7 -5.5 66.9 3.1 159 160 A K S < S- 0 0 78 -3,-1.7 -52,-2.1 -54,-0.3 2,-0.6 -0.844 79.8-113.7-137.0 158.1 -2.8 64.5 2.0 160 161 A I E -gh 107 143B 0 -18,-2.6 -16,-3.4 -2,-0.3 2,-0.6 -0.869 26.6-152.9 -93.7 124.6 0.9 63.6 2.1 161 162 A V E -g 108 0B 0 -54,-3.3 -52,-2.4 -2,-0.6 2,-0.1 -0.893 18.9-128.5 -97.4 116.7 2.6 63.8 -1.3 162 163 A L E -g 109 0B 1 -2,-0.6 13,-1.6 -18,-0.3 2,-0.6 -0.398 16.0-164.4 -62.0 129.4 5.7 61.5 -1.5 163 164 A F E -gi 110 175B 0 -54,-3.1 -52,-2.0 11,-0.2 2,-0.7 -0.949 25.9-140.6-114.0 107.8 8.9 63.1 -2.7 164 165 A N E +g 111 0B 0 11,-3.0 18,-0.3 -2,-0.6 3,-0.2 -0.610 44.1 152.4 -92.2 104.2 10.9 60.0 -3.5 165 166 A R E +g 112 0B 31 -54,-2.2 -52,-0.6 -2,-0.7 -1,-0.1 -0.071 55.0 94.9-107.4 28.5 14.7 59.9 -2.6 166 167 A M S S- 0 0 28 1,-0.4 2,-0.2 -54,-0.2 -40,-0.2 0.477 91.8-115.5 -90.9 -4.5 14.7 56.1 -2.2 167 168 A G S S+ 0 0 32 -3,-0.2 -1,-0.4 15,-0.1 11,-0.2 -0.683 76.2 2.4 96.4-161.7 15.9 55.3 -5.7 168 169 A G S S- 0 0 38 12,-0.3 2,-0.3 11,-0.3 11,-0.3 -0.305 75.8-173.2 -59.7 143.7 13.7 53.4 -8.2 169 170 A T - 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