==== 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 05-DEC-12 4I9J . 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) . 12527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 69.5 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 . 1 0.3 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 . 32 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 21.2 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 2 0 1 1 1 0 0 0 0 0 1 0 1 0 0 1 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 0 187 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 144.5 -3.2 90.0 7.6 2 3 A S > - 0 0 59 1,-0.1 3,-1.8 2,-0.0 4,-0.4 -0.303 360.0-103.5 -74.1 162.8 -0.4 88.3 5.6 3 4 A L G > S+ 0 0 10 1,-0.3 3,-1.6 2,-0.2 6,-0.2 0.837 116.7 63.9 -56.0 -34.2 -0.3 84.5 5.1 4 5 A S G 3 S+ 0 0 22 1,-0.3 -1,-0.3 290,-0.2 4,-0.1 0.639 87.6 69.0 -71.9 -12.2 2.4 84.0 7.8 5 6 A K G < S+ 0 0 139 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.653 108.6 39.2 -76.5 -13.1 0.2 85.3 10.6 6 7 A S S X S+ 0 0 30 -3,-1.6 3,-1.7 -4,-0.4 -1,-0.3 -0.436 71.2 156.5-127.9 61.5 -1.8 82.1 10.1 7 8 A P G > + 0 0 29 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.774 64.1 70.3 -67.9 -15.0 1.0 79.5 9.5 8 9 A E G 3 S+ 0 0 62 1,-0.2 50,-0.1 -3,-0.1 51,-0.1 0.764 118.0 15.5 -71.5 -22.9 -1.2 76.6 10.6 9 10 A N G X> S+ 0 0 33 -3,-1.7 3,-0.6 -6,-0.2 4,-0.5 -0.100 80.4 133.0-141.0 37.2 -3.5 76.8 7.6 10 11 A W G X4 S+ 0 0 0 -3,-0.8 3,-1.1 1,-0.2 4,-0.1 0.844 71.3 55.3 -65.0 -30.0 -1.6 78.9 5.0 11 12 A M G >4 S+ 0 0 2 1,-0.3 3,-1.8 -4,-0.2 -1,-0.2 0.818 95.9 67.4 -73.8 -26.7 -2.2 76.6 2.0 12 13 A S G <4 S+ 0 0 46 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.707 96.2 57.1 -61.8 -22.7 -6.0 76.7 2.6 13 14 A K G << S+ 0 0 102 -3,-1.1 -1,-0.3 -4,-0.5 2,-0.2 0.449 94.6 85.7 -87.4 -2.2 -5.7 80.4 1.6 14 15 A L S < S- 0 0 16 -3,-1.8 2,-0.6 -4,-0.1 288,-0.1 -0.546 93.7 -93.0 -94.3 167.3 -4.2 79.7 -1.8 15 16 A D > - 0 0 108 -2,-0.2 3,-1.7 1,-0.1 138,-0.2 -0.677 32.2-151.8 -75.7 117.9 -5.8 78.9 -5.1 16 17 A D T 3 S+ 0 0 30 -2,-0.6 138,-2.6 1,-0.3 139,-0.3 0.483 87.7 78.8 -79.3 1.0 -5.8 75.0 -5.2 17 18 A G T 3 S+ 0 0 43 136,-0.2 -1,-0.3 135,-0.1 2,-0.1 0.596 75.0 105.8 -75.3 -10.5 -5.7 75.0 -9.0 18 19 A K S < S- 0 0 44 -3,-1.7 135,-2.7 134,-0.1 2,-0.3 -0.385 78.7-120.7 -66.5 140.3 -1.9 75.7 -8.4 19 20 A H B > -A 152 0A 38 133,-0.3 3,-2.2 1,-0.1 4,-0.5 -0.679 23.6-119.4 -74.0 144.5 0.5 72.8 -9.0 20 21 A L G > S+ 0 0 1 131,-2.3 3,-1.5 -2,-0.3 -1,-0.1 0.843 114.7 64.0 -52.3 -36.9 2.5 72.0 -5.8 21 22 A T G 3 S+ 0 0 0 130,-0.4 214,-0.3 1,-0.2 -1,-0.3 0.762 99.2 52.8 -53.2 -29.6 5.6 72.9 -7.9 22 23 A E G < S+ 0 0 60 -3,-2.2 2,-0.3 212,-0.1 -1,-0.2 0.471 92.0 91.6 -89.9 -7.0 4.4 76.5 -8.2 23 24 A I S < S- 0 0 0 -3,-1.5 2,-0.8 -4,-0.5 -12,-0.0 -0.723 78.8-128.9 -91.2 137.3 3.9 76.9 -4.4 24 25 A N - 0 0 3 -2,-0.3 252,-0.2 272,-0.2 276,-0.2 -0.825 37.2-171.3 -86.2 110.7 6.7 78.3 -2.3 25 26 A I E -b 276 0B 0 -2,-0.8 252,-1.9 250,-0.7 2,-0.3 -0.915 21.0-139.8-117.3 130.7 7.0 75.7 0.4 26 27 A P E -b 277 0B 0 0, 0.0 35,-2.7 0, 0.0 36,-1.6 -0.675 27.6-177.1 -81.7 130.5 9.0 75.8 3.7 27 28 A G E -bc 278 62B 0 250,-2.6 252,-2.6 -2,-0.3 2,-0.5 -0.873 21.3-129.7-118.3 167.2 10.6 72.4 4.5 28 29 A S E > -bc 279 63B 0 34,-2.2 36,-1.5 -2,-0.3 3,-0.8 -0.966 20.8-127.2-120.7 133.3 12.6 71.2 7.4 29 30 A H T 3 S- 0 0 21 250,-2.7 252,-0.2 -2,-0.5 4,-0.2 -0.602 92.2 -6.4 -80.3 129.4 16.0 69.3 6.9 30 31 A D T > S- 0 0 4 -2,-0.3 3,-2.2 1,-0.1 17,-0.3 0.940 84.4-168.6 43.9 57.9 16.1 65.9 8.8 31 32 A S G X S+ 0 0 0 33,-1.1 3,-0.6 -3,-0.8 34,-0.1 0.711 72.8 61.1 -44.4 -36.3 12.8 66.9 10.4 32 33 A G G > S+ 0 0 0 32,-0.4 3,-1.0 1,-0.2 -1,-0.3 0.416 74.1 93.2 -79.9 -0.8 12.9 64.2 13.0 33 34 A S G X + 0 0 0 -3,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.389 53.5 97.5 -82.3 5.5 16.1 65.3 14.8 34 35 A F G < S+ 0 0 23 -3,-0.6 -1,-0.3 1,-0.2 17,-0.1 0.671 71.3 71.2 -58.6 -22.5 14.2 67.4 17.4 35 36 A T G < S+ 0 0 37 -3,-1.0 -1,-0.2 49,-0.2 2,-0.2 0.624 74.6 106.8 -66.2 -20.8 14.4 64.3 19.8 36 37 A L < + 0 0 3 -3,-1.6 48,-0.0 12,-0.2 12,-0.0 -0.468 28.7 156.6 -74.2 134.4 18.2 64.9 20.2 37 38 A K + 0 0 157 -2,-0.2 -1,-0.1 9,-0.0 5,-0.1 0.585 36.0 113.2-125.4 -32.0 19.4 66.3 23.6 38 39 A D > - 0 0 70 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.198 58.2-150.4 -47.1 115.5 23.1 65.1 23.8 39 40 A P T 4 S+ 0 0 112 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.760 89.4 44.9 -71.4 -23.8 25.0 68.4 23.6 40 41 A V T >4 S+ 0 0 95 2,-0.2 3,-0.6 1,-0.1 4,-0.4 0.915 118.2 40.6 -79.4 -50.3 28.1 67.0 21.9 41 42 A K T >> S+ 0 0 59 1,-0.2 4,-2.9 2,-0.2 3,-1.1 0.849 106.9 66.0 -66.4 -37.4 26.4 64.8 19.3 42 43 A S H 3X S+ 0 0 15 -4,-2.3 4,-1.3 1,-0.2 209,-0.3 0.771 83.6 75.4 -61.9 -25.1 23.8 67.6 18.7 43 44 A V H <4 S+ 0 0 30 -3,-0.6 208,-2.0 -4,-0.4 209,-0.2 0.905 120.5 9.1 -48.0 -43.4 26.5 69.9 17.3 44 45 A W H <4 S+ 0 0 78 -3,-1.1 199,-0.3 -4,-0.4 -2,-0.2 0.666 133.5 47.8-111.7 -29.2 26.5 67.9 14.1 45 46 A A H < S+ 0 0 0 -4,-2.9 2,-0.5 197,-0.1 -3,-0.2 0.623 93.1 79.0 -94.3 -18.6 23.5 65.5 14.3 46 47 A K < + 0 0 21 -4,-1.3 205,-0.3 -5,-0.3 206,-0.2 -0.804 38.6 159.6 -99.7 134.3 20.7 67.8 15.4 47 48 A T + 0 0 0 -2,-0.5 234,-4.0 -17,-0.3 2,-0.3 0.431 62.5 37.2-128.9 -4.6 18.9 70.0 12.9 48 49 A Q - 0 0 0 232,-0.2 -1,-0.2 -15,-0.2 -12,-0.2 -0.983 42.7-170.8-146.1 155.1 15.6 70.9 14.5 49 50 A D + 0 0 65 -2,-0.3 2,-0.3 233,-0.3 -1,-0.1 0.526 68.6 80.8-123.5 -10.0 14.2 71.7 17.9 50 51 A K S S- 0 0 51 232,-0.2 -16,-0.2 1,-0.1 232,-0.1 -0.746 79.3-120.1 -95.1 139.7 10.5 71.7 17.3 51 52 A D > - 0 0 62 -2,-0.3 4,-2.8 -17,-0.1 5,-0.2 -0.183 35.9 -94.4 -72.0 172.4 8.5 68.5 17.1 52 53 A Y H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 125.2 47.4 -57.7 -48.9 6.5 67.4 13.9 53 54 A L H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 114.0 47.8 -60.7 -36.8 3.2 68.9 15.1 54 55 A T H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.905 110.6 51.1 -73.2 -39.1 4.9 72.2 16.1 55 56 A Q H <>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 -2,-0.2 0.928 111.8 48.1 -56.9 -49.0 6.7 72.4 12.8 56 57 A M H ><5S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.907 110.5 50.4 -59.5 -46.3 3.4 71.9 11.0 57 58 A K H 3<5S+ 0 0 105 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.804 106.5 57.1 -60.2 -30.8 1.7 74.5 13.1 58 59 A S T 3<5S- 0 0 27 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.412 129.2 -96.6 -81.3 0.1 4.6 76.8 12.2 59 60 A G T < 5S+ 0 0 0 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.440 72.1 147.8 105.5 -0.6 3.9 76.4 8.5 60 61 A V < + 0 0 0 -5,-2.3 -1,-0.3 -6,-0.2 -33,-0.2 -0.515 8.7 162.4 -71.5 131.4 6.4 73.6 7.5 61 62 A R + 0 0 0 -35,-2.7 47,-2.9 -2,-0.2 2,-0.6 0.534 54.6 71.6-125.0 -15.3 4.9 71.4 4.7 62 63 A F E -cd 27 108B 1 -36,-1.6 -34,-2.2 45,-0.2 2,-0.5 -0.947 64.5-166.8-107.1 122.0 8.0 69.6 3.2 63 64 A F E -cd 28 109B 0 45,-3.0 47,-2.7 -2,-0.6 2,-1.0 -0.930 11.5-153.1-114.8 123.3 9.3 66.9 5.6 64 65 A D E - d 0 110B 0 -36,-1.5 -33,-1.1 -2,-0.5 2,-0.6 -0.836 19.8-178.3 -99.8 96.1 12.8 65.4 4.9 65 66 A I E - d 0 111B 0 45,-2.2 47,-1.3 -2,-1.0 2,-0.4 -0.892 4.4-177.9 -99.6 120.9 12.6 62.0 6.5 66 67 A R E + d 0 112B 24 -2,-0.6 12,-3.0 12,-0.3 2,-0.3 -0.943 18.2 174.9-119.2 139.7 15.8 59.9 6.3 67 68 A G E -Ed 77 113B 0 45,-2.8 47,-2.8 -2,-0.4 48,-1.0 -0.837 32.9-136.3-143.6 172.4 15.7 56.4 7.7 68 69 A R E -E 76 0B 57 8,-2.6 8,-3.1 -2,-0.3 2,-0.8 -1.000 31.4-120.1-132.9 135.7 17.1 53.0 8.4 69 70 A A E +E 75 0B 0 46,-0.4 49,-2.5 -2,-0.4 6,-0.2 -0.675 34.7 172.7 -72.8 116.1 15.3 49.7 8.0 70 71 A S E + 0 0 28 4,-1.3 2,-0.3 -2,-0.8 -1,-0.2 0.534 67.3 1.0-101.1 -10.2 15.4 48.4 11.6 71 72 A A E > S-E 74 0B 30 3,-1.2 3,-1.9 -3,-0.1 -1,-0.2 -0.959 86.4 -89.7-166.0 167.0 13.2 45.3 10.9 72 73 A D T 3 S+ 0 0 45 1,-0.3 60,-0.1 -2,-0.3 3,-0.0 0.659 129.5 30.2 -63.7 -11.0 11.3 43.8 8.0 73 74 A N T 3 S+ 0 0 85 1,-0.1 2,-0.4 58,-0.0 -1,-0.3 0.178 111.5 76.8-130.0 20.3 8.3 45.9 8.9 74 75 A M E < -E 71 0B 67 -3,-1.9 -4,-1.3 14,-0.0 -3,-1.2 -0.990 49.1-164.7-140.8 134.5 9.9 49.0 10.4 75 76 A I E -E 69 0B 0 -2,-0.4 13,-3.1 -6,-0.2 2,-0.3 -0.983 17.5-153.1-113.8 123.8 11.7 52.1 9.3 76 77 A S E -EF 68 87B 6 -8,-3.1 -8,-2.6 -2,-0.5 2,-0.4 -0.746 22.1-118.2 -91.5 137.8 13.6 54.1 12.1 77 78 A V E +E 67 0B 2 9,-2.5 7,-3.0 -2,-0.3 9,-0.4 -0.663 45.8 174.9 -84.3 132.1 14.1 57.8 11.6 78 79 A H E - F 0 83B 4 -12,-3.0 2,-0.6 -2,-0.4 -12,-0.3 -0.941 43.7-148.7-136.8 148.4 17.9 58.6 11.4 79 80 A H E > S- F 0 82B 36 3,-2.9 3,-2.3 -2,-0.3 -2,-0.0 -0.977 80.8 -64.9-107.1 109.3 20.4 61.3 10.8 80 81 A G T 3 S- 0 0 20 -2,-0.6 34,-0.1 1,-0.3 -1,-0.0 -0.256 120.5 -8.7 53.4-130.3 23.1 59.1 9.2 81 82 A M T 3 S+ 0 0 120 -3,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.670 118.2 98.7 -57.8 -28.7 24.3 56.6 11.9 82 83 A V E < -F 79 0B 8 -3,-2.3 -3,-2.9 -41,-0.0 2,-0.3 -0.627 69.2-141.9 -85.3 117.4 22.3 58.4 14.5 83 84 A Y E -F 78 0B 83 -2,-0.6 -5,-0.2 -5,-0.2 -2,-0.1 -0.527 3.8-149.5 -72.2 135.2 19.0 57.0 15.5 84 85 A L E - 0 0 0 -7,-3.0 -49,-0.2 2,-0.3 -6,-0.1 0.227 41.9-108.4 -98.1 17.1 16.4 59.8 16.1 85 86 A H E S+ 0 0 104 -8,-0.2 2,-0.3 1,-0.1 -7,-0.1 0.650 87.3 65.3 73.6 18.9 14.5 57.7 18.8 86 87 A H E S- 0 0 16 -9,-0.4 -9,-2.5 4,-0.0 -2,-0.3 -0.980 71.0-118.5-161.5 162.2 11.3 56.9 16.8 87 88 A E E >> -F 76 0B 49 -2,-0.3 3,-1.5 -11,-0.3 4,-0.7 -0.511 39.2 -97.5 -98.8 169.9 10.0 55.1 13.8 88 89 A L H >> S+ 0 0 0 -13,-3.1 4,-2.2 1,-0.3 3,-0.6 0.828 115.5 69.9 -56.9 -37.0 8.3 56.3 10.6 89 90 A G H 3> S+ 0 0 12 -14,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.802 93.6 59.5 -53.3 -29.5 4.7 55.5 12.0 90 91 A K H <> S+ 0 0 79 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.915 107.5 43.3 -65.6 -47.0 5.2 58.4 14.5 91 92 A F H < S+ 0 0 73 -4,-2.7 3,-1.4 -5,-0.2 56,-0.3 -0.726 73.4 171.3-126.9 77.2 -6.2 71.3 8.6 103 104 A P T 3 + 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.558 68.7 63.3 -77.8 -4.1 -7.6 69.4 5.6 104 105 A N T 3 S+ 0 0 67 53,-0.2 2,-0.3 54,-0.1 53,-0.1 0.222 86.8 90.9-101.0 12.0 -6.7 72.0 3.0 105 106 A E < - 0 0 1 -3,-1.4 53,-3.4 -6,-0.2 2,-0.4 -0.762 62.3-152.4 -98.6 144.6 -3.0 71.6 3.6 106 107 A T - 0 0 0 -2,-0.3 2,-0.4 51,-0.3 54,-0.2 -0.927 4.5-153.3-109.9 150.5 -0.8 69.2 1.7 107 108 A I E - g 0 160B 0 52,-2.1 54,-3.2 -2,-0.4 2,-0.5 -0.977 2.0-154.7-120.3 134.3 2.4 67.7 3.1 108 109 A V E -dg 62 161B 1 -47,-2.9 -45,-3.0 -2,-0.4 2,-0.6 -0.962 12.2-163.1-103.3 128.8 5.2 66.5 0.9 109 110 A M E -dg 63 162B 0 52,-2.3 54,-2.8 -2,-0.5 2,-0.3 -0.944 5.5-155.3-118.2 108.7 7.3 63.8 2.6 110 111 A S E -dg 64 163B 0 -47,-2.7 -45,-2.2 -2,-0.6 2,-0.4 -0.639 12.5-161.7 -73.2 139.3 10.8 63.0 1.2 111 112 A M E +dg 65 164B 0 52,-1.9 54,-2.3 -2,-0.3 2,-0.3 -0.995 17.2 162.2-134.4 125.1 11.9 59.5 2.0 112 113 A K E -d 66 0B 47 -47,-1.3 -45,-2.8 -2,-0.4 2,-0.6 -0.983 40.6-119.9-144.3 144.9 15.6 58.4 1.9 113 114 A K E +d 67 0B 95 52,-0.5 -45,-0.2 -2,-0.3 3,-0.1 -0.829 31.7 175.5 -85.6 121.7 17.7 55.5 3.2 114 115 A D + 0 0 34 -47,-2.8 2,-0.3 -2,-0.6 -46,-0.2 0.476 60.2 18.3-105.8 -8.5 20.4 57.2 5.4 115 116 A Y S S- 0 0 88 -48,-1.0 -46,-0.4 -34,-0.1 -1,-0.2 -0.987 89.5 -78.8-159.6 157.9 22.1 54.1 6.9 116 117 A D - 0 0 111 -2,-0.3 3,-0.1 -48,-0.1 -2,-0.0 -0.241 56.2-101.0 -62.7 143.3 22.5 50.3 6.4 117 118 A S - 0 0 31 1,-0.1 -47,-0.2 -49,-0.1 -1,-0.1 -0.218 44.2 -84.8 -60.5 150.2 19.7 48.0 7.5 118 119 A D > - 0 0 42 -49,-2.5 3,-1.9 1,-0.1 -1,-0.1 -0.204 43.7-116.3 -44.5 140.0 19.7 46.0 10.7 119 120 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.740 114.9 61.0 -67.1 -16.9 21.5 42.8 10.0 120 121 A K T 3 S+ 0 0 158 -50,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.616 82.3 109.1 -77.6 -13.7 18.3 40.8 10.7 121 122 A V < + 0 0 22 -3,-1.9 -4,-0.0 -52,-0.2 -52,-0.0 -0.434 40.3 175.7 -66.3 133.6 16.6 42.6 7.8 122 123 A T + 0 0 114 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.445 57.5 70.2-114.2 -6.6 15.8 40.5 4.7 123 124 A K S S- 0 0 58 1,-0.1 2,-0.1 2,-0.0 -54,-0.1 -0.743 85.6-102.3-112.7 155.4 13.9 43.0 2.5 124 125 A T > - 0 0 75 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.384 32.7-113.7 -70.0 162.3 15.1 46.2 0.7 125 126 A F H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.874 119.2 53.4 -65.3 -38.8 14.3 49.6 2.2 126 127 A E H > S+ 0 0 20 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.927 107.9 49.1 -67.2 -41.2 12.1 50.3 -0.7 127 128 A E H > S+ 0 0 70 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.937 111.3 50.4 -59.7 -44.7 10.0 47.0 -0.2 128 129 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.905 114.2 43.4 -61.7 -46.6 9.6 47.8 3.5 129 130 A F H X>S+ 0 0 0 -4,-2.4 5,-2.8 2,-0.2 4,-1.5 0.948 118.1 45.0 -63.0 -46.7 8.4 51.3 2.8 130 131 A R H <>S+ 0 0 41 -4,-2.8 5,-2.8 -5,-0.2 -2,-0.2 0.970 123.8 32.2 -63.2 -54.9 6.1 50.2 -0.1 131 132 A E H <5S+ 0 0 100 -4,-2.7 -3,-0.2 3,-0.2 -1,-0.2 0.825 127.4 35.8 -73.9 -36.8 4.6 47.1 1.7 132 133 A Y H <5S+ 0 0 88 -4,-2.3 -3,-0.2 -5,-0.4 -1,-0.2 0.546 134.0 12.5-103.0 -7.9 4.6 48.3 5.4 133 134 A Y T ><5S+ 0 0 6 -4,-1.5 3,-0.6 -5,-0.3 6,-0.3 0.579 125.7 41.9-126.6 -67.3 3.8 51.9 5.0 134 135 A Y T 3 S+ 0 0 97 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 0.848 100.4 71.3 -62.3 -27.2 -4.2 49.6 5.4 138 139 A Q G 3 S+ 0 0 117 1,-0.3 -2,-0.0 3,-0.0 -5,-0.0 0.811 105.4 37.3 -50.7 -32.7 -3.4 51.4 8.6 139 140 A Y G X> S+ 0 0 12 -3,-2.2 3,-1.5 -6,-0.3 4,-0.8 -0.095 86.0 150.8-112.4 30.4 -2.4 54.5 6.4 140 141 A Q T <4 S+ 0 0 108 -3,-2.4 -5,-0.1 1,-0.3 -6,-0.0 -0.422 73.5 8.0 -63.7 138.8 -5.2 53.9 3.8 141 142 A N T 34 S+ 0 0 147 2,-0.1 -1,-0.3 1,-0.1 4,-0.1 0.244 104.5 97.8 71.4 -10.5 -6.2 57.2 2.3 142 143 A L T <4 S+ 0 0 8 -3,-1.5 18,-2.5 17,-0.1 2,-0.2 0.866 73.9 64.1 -73.2 -39.3 -3.3 59.2 4.0 143 144 A F B < S-h 160 0B 5 -4,-0.8 2,-0.3 16,-0.2 18,-0.2 -0.606 92.7-106.2 -85.5 144.9 -1.0 59.1 0.9 144 145 A Y + 0 0 5 16,-3.2 18,-0.3 -2,-0.2 29,-0.1 -0.554 41.2 171.2 -59.7 127.1 -1.5 60.7 -2.4 145 146 A T + 0 0 97 -2,-0.3 -1,-0.1 -4,-0.1 11,-0.1 0.211 31.1 123.8-124.5 11.4 -2.3 57.8 -4.8 146 147 A G - 0 0 23 9,-0.2 28,-0.2 1,-0.1 -2,-0.0 -0.145 64.1-127.2 -74.3 167.7 -3.4 59.7 -7.9 147 148 A S + 0 0 121 26,-0.1 2,-0.5 3,-0.0 -1,-0.1 0.439 68.0 119.2-101.6 10.3 -1.8 59.2 -11.3 148 149 A N - 0 0 62 1,-0.2 26,-0.3 7,-0.1 -2,-0.1 -0.629 50.1-158.0 -74.1 121.9 -1.0 62.9 -12.0 149 150 A A S S+ 0 0 28 -2,-0.5 -1,-0.2 1,-0.3 27,-0.1 0.734 94.9 35.7 -66.8 -26.6 2.9 63.4 -12.4 150 151 A N S S- 0 0 9 25,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 -0.600 92.2-163.3-126.4 71.5 2.4 67.1 -11.6 151 152 A P - 0 0 0 0, 0.0 -131,-2.3 0, 0.0 -130,-0.4 -0.098 9.9-130.7 -63.9 152.2 -0.4 67.2 -9.0 152 153 A T B > -A 19 0A 26 -133,-0.3 4,-0.9 -132,-0.1 -133,-0.3 -0.579 27.6-107.4 -91.5 166.2 -2.4 70.3 -8.0 153 154 A L H >> S+ 0 0 1 -135,-2.7 4,-2.3 1,-0.2 3,-0.7 0.891 117.5 59.7 -57.6 -39.5 -3.1 71.5 -4.5 154 155 A K H 34 S+ 0 0 123 -138,-2.6 -1,-0.2 -136,-0.3 -137,-0.1 0.903 107.1 42.2 -59.7 -43.9 -6.7 70.3 -4.9 155 156 A E H 34 S+ 0 0 62 -139,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.606 122.1 40.7 -83.5 -5.8 -5.9 66.7 -5.5 156 157 A T H X< S+ 0 0 0 -4,-0.9 3,-1.9 -3,-0.7 -49,-0.3 0.592 81.9 114.2-109.5 -16.6 -3.2 66.5 -2.8 157 158 A K T 3< S+ 0 0 51 -4,-2.3 -51,-0.3 1,-0.3 -53,-0.2 -0.250 81.5 24.5 -66.2 143.7 -4.7 68.5 0.1 158 159 A G T 3 S+ 0 0 23 -53,-3.4 2,-0.3 -56,-0.3 -1,-0.3 0.462 116.0 84.7 80.1 3.0 -5.4 66.4 3.1 159 160 A K S < S- 0 0 76 -3,-1.9 -52,-2.1 -54,-0.3 2,-0.5 -0.838 78.9-113.8-130.7 166.9 -2.8 63.9 2.0 160 161 A I E -gh 107 143B 0 -18,-2.5 -16,-3.2 -2,-0.3 2,-0.6 -0.901 26.1-151.7-100.3 128.1 0.9 63.2 2.0 161 162 A V E -g 108 0B 0 -54,-3.2 -52,-2.3 -2,-0.5 2,-0.2 -0.884 18.8-125.8-100.3 124.3 2.6 63.3 -1.3 162 163 A L E -g 109 0B 1 -2,-0.6 13,-2.2 -18,-0.3 2,-0.6 -0.474 17.3-166.4 -69.1 131.4 5.7 61.1 -1.6 163 164 A F E -gi 110 175B 0 -54,-2.8 -52,-1.9 11,-0.2 2,-0.8 -0.972 27.1-143.5-112.6 106.3 9.0 62.7 -2.7 164 165 A N E +g 111 0B 0 11,-2.7 18,-0.3 -2,-0.6 3,-0.2 -0.634 42.7 154.4 -91.8 111.2 11.0 59.6 -3.5 165 166 A R + 0 0 32 -54,-2.3 -52,-0.5 -2,-0.8 -1,-0.1 0.026 55.0 95.3-114.0 23.2 14.7 59.5 -2.6 166 167 A M S S- 0 0 33 1,-0.4 2,-0.3 -54,-0.2 -40,-0.2 0.628 90.5-119.7 -81.0 -14.4 14.8 55.7 -2.3 167 168 A G S S+ 0 0 29 -3,-0.2 -1,-0.4 9,-0.1 14,-0.2 -0.735 75.5 8.4 97.1-158.1 15.9 55.0 -5.8 168 169 A G S S- 0 0 40 12,-0.4 2,-0.3 -2,-0.3 11,-0.3 -0.241 75.6-177.5 -55.6 136.9 13.7 52.9 -8.2 169 170 A T - 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