==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 09-DEC-11 3V1H . COMPND 2 MOLECULE: 1-PHOSPHATIDYLINOSITOL PHOSPHODIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR R.I.GOLDSTEIN,J.CHENG,B.STEC,M.F.ROBERTS . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.8 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 . 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 . 37 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 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 1 0 1 1 2 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 3 A S > 0 0 109 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 119.1 26.1 38.9 -4.4 2 4 A L G > + 0 0 14 1,-0.3 3,-1.3 2,-0.2 6,-0.2 0.717 360.0 62.3 -62.8 -38.1 24.1 35.8 -3.8 3 5 A S G 3 S+ 0 0 23 1,-0.2 -1,-0.3 290,-0.2 291,-0.1 0.602 92.7 68.5 -69.9 -12.5 21.3 36.2 -6.4 4 6 A K G < S+ 0 0 180 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.674 109.8 34.3 -74.9 -18.7 23.9 36.1 -9.2 5 7 A S S X S+ 0 0 42 -3,-1.3 3,-1.1 -4,-0.3 -1,-0.3 -0.609 70.9 161.1-133.8 70.8 24.5 32.4 -8.4 6 8 A P G > + 0 0 24 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.686 64.9 74.3 -68.1 -15.7 21.0 31.2 -7.3 7 9 A E G 3 S+ 0 0 65 1,-0.2 50,-0.1 50,-0.1 51,-0.1 0.787 115.3 15.7 -67.3 -26.7 22.1 27.5 -7.9 8 10 A N G < S+ 0 0 37 -3,-1.1 3,-0.4 -6,-0.2 4,-0.4 -0.070 79.7 130.7-143.7 37.9 24.2 27.4 -4.8 9 11 A W S X S+ 0 0 0 -3,-0.7 3,-1.4 1,-0.2 4,-0.4 0.857 73.1 55.7 -69.9 -36.5 23.2 30.4 -2.6 10 12 A M G > S+ 0 0 2 1,-0.3 3,-1.3 -4,-0.2 -1,-0.2 0.854 97.1 64.5 -62.4 -32.5 22.8 28.4 0.7 11 13 A S G 3 S+ 0 0 47 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.669 98.2 57.7 -62.3 -19.2 26.3 27.0 0.4 12 14 A K G < S+ 0 0 113 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.619 93.2 85.3 -86.0 -17.0 27.5 30.7 0.8 13 15 A L S < S- 0 0 19 -3,-1.3 2,-0.4 -4,-0.4 288,-0.1 -0.325 95.4 -86.7 -78.6 164.6 25.8 31.2 4.2 14 16 A D > - 0 0 102 1,-0.2 3,-1.5 -2,-0.1 138,-0.2 -0.597 34.6-144.5 -70.2 127.1 27.0 30.4 7.7 15 17 A D T 3 S+ 0 0 51 -2,-0.4 138,-2.5 1,-0.3 137,-0.4 0.579 92.0 74.8 -77.4 -5.6 26.0 26.8 8.2 16 18 A G T 3 S+ 0 0 38 136,-0.2 -1,-0.3 135,-0.1 2,-0.2 0.555 73.3 107.7 -80.6 -6.4 25.4 27.5 11.9 17 19 A K S < S- 0 0 68 -3,-1.5 135,-2.0 1,-0.1 136,-0.2 -0.510 75.0-120.7 -70.1 141.3 22.1 29.3 11.0 18 20 A H B >> -A 151 0A 35 133,-0.2 3,-1.5 -2,-0.2 4,-0.6 -0.498 23.3-120.4 -69.8 147.1 18.9 27.6 11.8 19 21 A L G >4 S+ 0 0 0 131,-2.6 3,-1.6 1,-0.3 -1,-0.1 0.902 115.1 63.9 -55.0 -36.3 16.8 27.1 8.7 20 22 A T G 34 S+ 0 0 0 130,-0.4 214,-0.4 1,-0.3 -1,-0.3 0.801 100.2 51.8 -54.4 -32.9 14.2 29.2 10.4 21 23 A E G <4 S+ 0 0 60 -3,-1.5 2,-0.3 209,-0.1 -1,-0.3 0.537 91.6 92.2 -86.3 -11.2 16.6 32.2 10.3 22 24 A I S << S- 0 0 1 -3,-1.6 2,-0.8 -4,-0.6 -12,-0.0 -0.654 79.1-126.5 -84.3 138.5 17.3 31.9 6.6 23 25 A N - 0 0 4 -2,-0.3 252,-0.2 273,-0.2 276,-0.2 -0.826 38.7-172.5 -84.1 111.2 15.2 34.0 4.1 24 26 A I E -b 275 0B 0 -2,-0.8 252,-1.8 250,-0.7 2,-0.4 -0.911 22.6-138.8-119.8 127.6 14.0 31.3 1.7 25 27 A P E -b 276 0B 0 0, 0.0 35,-2.6 0, 0.0 36,-1.4 -0.691 28.4-175.2 -78.0 130.8 12.1 31.6 -1.6 26 28 A G E -bc 277 61B 0 250,-3.0 252,-2.5 -2,-0.4 2,-0.4 -0.836 20.5-129.1-118.8 165.4 9.4 29.0 -2.0 27 29 A S E > -bc 278 62B 0 34,-2.2 36,-1.5 -2,-0.3 3,-0.7 -0.972 19.1-132.8-117.6 128.2 7.1 28.1 -4.8 28 30 A H T 3 S- 0 0 22 250,-2.5 252,-0.2 -2,-0.4 4,-0.2 -0.614 89.7 -2.3 -79.4 133.5 3.3 27.8 -4.2 29 31 A D T > S- 0 0 6 -2,-0.3 3,-2.1 1,-0.1 17,-0.3 0.949 85.3-171.6 47.7 53.1 1.7 24.6 -5.8 30 32 A S G X + 0 0 0 33,-1.2 3,-0.6 -3,-0.7 34,-0.1 0.719 69.8 57.0 -51.3 -35.9 5.1 23.9 -7.2 31 33 A G G > S+ 0 0 1 32,-0.5 3,-1.0 1,-0.2 -1,-0.3 0.377 77.8 94.4 -83.5 9.5 4.2 20.9 -9.5 32 34 A S G X + 0 0 0 -3,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.487 52.8 94.8 -82.1 1.4 1.6 22.9 -11.5 33 35 A F G < S+ 0 0 23 -3,-0.6 -1,-0.2 1,-0.3 17,-0.1 0.700 71.3 74.9 -61.8 -20.1 4.2 23.8 -14.2 34 36 A T G < S+ 0 0 35 -3,-1.0 -1,-0.3 49,-0.2 2,-0.2 0.690 73.0 100.4 -66.0 -20.5 2.8 20.6 -16.1 35 37 A L < + 0 0 5 -3,-1.7 12,-0.1 12,-0.2 48,-0.0 -0.459 33.2 159.0 -76.5 139.2 -0.4 22.4 -17.1 36 38 A K + 0 0 156 -2,-0.2 -1,-0.1 9,-0.0 5,-0.1 0.568 37.0 112.3-128.9 -23.7 -0.7 23.8 -20.8 37 39 A D > - 0 0 80 1,-0.2 4,-1.4 3,-0.1 5,-0.1 -0.365 63.2-143.4 -52.0 121.9 -4.5 24.1 -21.3 38 40 A P H > S+ 0 0 101 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.807 92.0 49.7 -66.7 -25.9 -5.0 27.9 -21.5 39 41 A V H 4 S+ 0 0 109 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.922 115.1 39.8 -81.3 -48.7 -8.4 27.9 -19.7 40 42 A K H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 3,-0.5 0.673 107.2 64.8 -70.3 -24.1 -7.6 25.8 -16.8 41 43 A S H X S+ 0 0 17 -4,-1.4 4,-1.0 3,-0.2 209,-0.3 0.780 86.0 73.6 -71.7 -25.5 -4.1 27.5 -16.4 42 44 A V H < S+ 0 0 30 -4,-0.7 208,-1.9 -3,-0.4 209,-0.3 0.912 122.0 7.9 -51.5 -36.7 -5.8 30.8 -15.6 43 45 A W H 4 S+ 0 0 103 -3,-0.5 199,-0.4 -4,-0.4 -2,-0.2 0.711 134.1 45.0-119.4 -28.2 -6.7 29.4 -12.2 44 46 A A H < S+ 0 0 0 -4,-2.8 2,-0.5 -5,-0.1 -3,-0.2 0.662 94.7 80.9 -99.7 -18.3 -4.9 26.0 -11.7 45 47 A K < + 0 0 25 -4,-1.0 205,-0.2 -5,-0.4 206,-0.2 -0.768 39.5 158.5 -96.5 132.5 -1.4 26.9 -13.0 46 48 A T + 0 0 1 -2,-0.5 234,-3.3 -17,-0.3 2,-0.3 0.374 62.2 41.2-127.1 -1.5 0.9 28.7 -10.6 47 49 A Q - 0 0 0 232,-0.2 -1,-0.3 233,-0.2 -12,-0.2 -0.984 45.9-169.6-144.6 143.4 4.4 27.9 -12.0 48 50 A D S S+ 0 0 60 -2,-0.3 2,-0.3 233,-0.2 -1,-0.1 0.592 70.9 75.6-104.3 -12.1 5.9 27.8 -15.5 49 51 A K S S- 0 0 49 232,-0.2 -16,-0.2 1,-0.1 232,-0.1 -0.720 79.4-121.7-100.9 149.2 9.3 26.2 -14.6 50 52 A D > - 0 0 58 -2,-0.3 4,-2.5 -17,-0.1 5,-0.2 -0.114 38.5 -91.2 -79.3 179.0 9.8 22.6 -13.7 51 53 A Y H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 124.2 48.9 -59.2 -49.2 11.3 21.5 -10.4 52 54 A L H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 112.8 47.0 -57.7 -42.2 14.9 21.4 -11.5 53 55 A T H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.863 110.5 53.4 -67.9 -39.1 14.7 24.8 -13.1 54 56 A Q H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.2 0.916 110.5 47.5 -60.2 -42.8 13.0 26.2 -9.9 55 57 A M H ><5S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.907 109.5 52.1 -61.4 -44.7 15.8 24.8 -7.8 56 58 A K H 3<5S+ 0 0 104 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.824 105.8 57.0 -63.3 -29.7 18.4 26.3 -10.3 57 59 A S T 3<5S- 0 0 29 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.479 129.0 -97.9 -78.4 -2.1 16.6 29.7 -9.8 58 60 A G T < 5S+ 0 0 0 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.414 71.4 150.1 102.3 1.1 17.1 29.4 -6.0 59 61 A V < + 0 0 0 -5,-2.5 -1,-0.3 -6,-0.2 -33,-0.2 -0.493 8.4 163.0 -64.9 128.5 13.8 28.0 -4.9 60 62 A R + 0 0 0 -35,-2.6 47,-3.4 -2,-0.2 2,-0.5 0.416 55.0 70.1-127.3 -5.0 14.3 25.9 -1.7 61 63 A F E -cd 26 107B 0 -36,-1.4 -34,-2.2 45,-0.2 2,-0.5 -0.980 65.6-165.4-114.2 123.6 10.8 25.6 -0.2 62 64 A F E -cd 27 108B 0 45,-3.0 47,-3.1 -2,-0.5 2,-1.0 -0.934 13.0-151.7-114.4 130.1 8.5 23.4 -2.3 63 65 A D E - d 0 109B 1 -36,-1.5 -33,-1.2 -2,-0.5 2,-0.5 -0.798 22.8-177.9-100.5 89.1 4.7 23.3 -1.8 64 66 A I E - d 0 110B 0 45,-1.9 47,-1.4 -2,-1.0 2,-0.4 -0.822 6.5-170.7 -97.5 126.9 3.7 19.8 -2.8 65 67 A R E - d 0 111B 24 -2,-0.5 12,-2.6 12,-0.2 2,-0.3 -0.969 15.4-174.8-119.3 134.1 0.0 18.9 -2.7 66 68 A G E -Ed 76 112B 0 45,-3.3 47,-3.2 -2,-0.4 48,-1.1 -0.783 27.2-157.3-131.1 165.8 -1.0 15.4 -3.2 67 69 A R E -E 75 0B 57 8,-2.4 8,-2.9 -2,-0.3 2,-0.7 -0.983 27.1-127.8-136.9 136.9 -3.7 12.8 -3.7 68 70 A A E +E 74 0B 0 46,-0.4 49,-1.6 -2,-0.3 6,-0.2 -0.707 29.3 173.6 -82.6 112.2 -3.4 9.0 -3.0 69 71 A S E S+ 0 0 33 4,-1.3 2,-0.3 -2,-0.7 -1,-0.2 0.613 70.1 5.2 -98.8 -9.4 -4.6 7.4 -6.1 70 72 A A E > S-E 73 0B 34 3,-1.2 3,-1.8 -3,-0.1 -1,-0.3 -0.945 90.4 -89.2-155.6 169.0 -3.6 3.9 -4.9 71 73 A D T 3 S+ 0 0 46 -2,-0.3 60,-0.1 1,-0.3 3,-0.0 0.608 126.3 31.4 -55.0 -14.7 -2.2 2.3 -1.7 72 74 A N T 3 S+ 0 0 96 1,-0.1 2,-0.4 58,-0.0 -1,-0.3 0.208 108.7 76.8-129.8 24.0 1.4 2.9 -2.8 73 75 A M E < -E 70 0B 69 -3,-1.8 -4,-1.3 14,-0.0 -3,-1.2 -0.993 48.5-167.5-146.5 124.0 1.1 6.0 -4.9 74 76 A I E -E 68 0B 0 -2,-0.4 13,-2.7 -6,-0.2 2,-0.3 -0.975 17.3-158.1-112.1 117.8 0.8 9.8 -4.2 75 77 A S E -EF 67 86B 3 -8,-2.9 -8,-2.4 -2,-0.5 11,-0.3 -0.754 21.9-115.9 -94.4 145.4 -0.1 11.9 -7.3 76 78 A V E +E 66 0B 2 9,-2.7 7,-2.5 -2,-0.3 9,-0.5 -0.604 47.0 174.5 -88.9 140.8 0.7 15.6 -7.4 77 79 A H E - F 0 82B 8 -12,-2.6 2,-0.5 -2,-0.3 -12,-0.2 -0.939 46.1-142.6-148.6 150.1 -2.4 17.8 -7.6 78 80 A H E > S- F 0 81B 36 3,-2.7 3,-2.2 -2,-0.3 2,-0.1 -0.856 81.1 -67.4-115.5 91.3 -4.1 21.1 -7.5 79 81 A G T 3 S- 0 0 20 -2,-0.5 -1,-0.2 1,-0.3 34,-0.1 -0.413 120.6 -7.8 61.4-126.3 -7.2 20.2 -5.6 80 82 A M T 3 S+ 0 0 130 -2,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.669 116.7 97.5 -71.4 -15.0 -9.2 17.9 -7.8 81 83 A V E < S-F 78 0B 15 -3,-2.2 -3,-2.7 2,-0.0 2,-0.1 -0.684 70.4-136.0 -88.0 123.0 -6.9 18.4 -10.8 82 84 A Y E -F 77 0B 93 -2,-0.6 -5,-0.2 -5,-0.2 -2,-0.1 -0.443 5.2-152.4 -70.3 135.7 -4.2 15.8 -11.5 83 85 A L E - 0 0 1 -7,-2.5 -49,-0.2 2,-0.3 -6,-0.1 0.133 42.4-108.1-102.9 19.3 -0.8 17.5 -12.4 84 86 A H E S+ 0 0 119 -8,-0.2 2,-0.3 1,-0.1 -7,-0.1 0.581 87.2 68.1 75.9 14.6 0.4 14.5 -14.5 85 87 A H E - 0 0 17 -9,-0.5 -9,-2.7 -54,-0.0 -2,-0.3 -0.995 68.4-123.3-158.5 162.6 3.0 13.1 -12.2 86 88 A E E >> -F 75 0B 50 -2,-0.3 3,-1.4 -11,-0.3 4,-0.6 -0.546 38.9 -97.1-104.5 171.2 3.6 11.4 -8.9 87 89 A L H >> S+ 0 0 0 -13,-2.7 4,-2.3 1,-0.3 3,-0.7 0.800 114.6 72.4 -58.1 -33.3 5.7 12.3 -5.9 88 90 A G H 3> S+ 0 0 15 -14,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.860 91.5 58.6 -53.3 -33.7 8.6 10.1 -7.0 89 91 A K H <> S+ 0 0 87 -3,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.894 108.1 43.7 -65.0 -41.9 9.4 12.7 -9.8 90 92 A F H < S+ 0 0 73 -4,-1.9 3,-1.5 -5,-0.2 -1,-0.3 -0.676 73.6 173.3-133.9 75.7 24.8 21.1 -5.0 102 104 A P T 3 S+ 0 0 74 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.518 70.1 59.7 -77.7 -1.1 25.5 19.2 -1.8 103 105 A N T 3 S+ 0 0 71 53,-0.2 2,-0.3 54,-0.1 53,-0.1 0.156 87.8 87.5-112.8 18.4 25.5 22.3 0.5 104 106 A E < - 0 0 0 -3,-1.5 53,-2.8 -6,-0.2 2,-0.3 -0.704 63.3-152.4 -99.4 162.0 21.9 23.4 -0.2 105 107 A T - 0 0 0 -2,-0.3 2,-0.4 51,-0.2 54,-0.2 -0.953 5.0-145.8-131.3 154.5 19.0 22.0 1.8 106 108 A I E - g 0 159B 0 52,-2.2 54,-3.3 -2,-0.3 2,-0.6 -0.970 1.9-149.9-120.0 134.2 15.4 21.7 0.5 107 109 A V E -dg 61 160B 0 -47,-3.4 -45,-3.0 -2,-0.4 2,-0.6 -0.927 15.1-164.4-102.1 126.2 12.2 22.2 2.5 108 110 A M E -dg 62 161B 0 52,-2.5 54,-2.9 -2,-0.6 2,-0.3 -0.921 5.8-158.2-118.0 113.1 9.4 20.1 1.2 109 111 A S E -dg 63 162B 0 -47,-3.1 -45,-1.9 -2,-0.6 2,-0.4 -0.655 10.6-163.7 -83.4 136.9 5.8 20.8 2.4 110 112 A M E +dg 64 163B 0 52,-1.9 54,-2.1 -2,-0.3 2,-0.3 -0.996 15.6 164.7-127.1 126.8 3.5 17.8 2.0 111 113 A K E -dg 65 164B 57 -47,-1.4 -45,-3.3 -2,-0.4 2,-0.6 -0.987 39.2-119.6-142.2 146.2 -0.3 18.3 2.1 112 114 A K E +d 66 0B 88 52,-0.6 -45,-0.2 -2,-0.3 3,-0.1 -0.792 31.1 176.7 -83.2 122.3 -3.3 16.2 1.1 113 115 A D + 0 0 31 -47,-3.2 2,-0.3 -2,-0.6 -46,-0.2 0.557 58.7 19.8-106.2 -14.3 -5.2 18.2 -1.6 114 116 A Y S S- 0 0 107 -48,-1.1 -46,-0.4 -34,-0.1 -1,-0.2 -0.999 85.8 -83.3-154.0 156.6 -8.0 15.8 -2.5 115 117 A D - 0 0 120 -2,-0.3 3,-0.1 -48,-0.1 -2,-0.0 -0.258 52.0-112.8 -56.1 137.7 -9.9 12.7 -1.4 116 118 A S - 0 0 31 1,-0.2 -47,-0.2 -49,-0.1 -1,-0.1 -0.293 39.4 -85.0 -67.1 154.6 -8.3 9.4 -2.1 117 119 A D > - 0 0 39 -49,-1.6 3,-2.2 1,-0.1 -1,-0.2 -0.334 43.0-115.6 -54.6 138.8 -9.6 7.0 -4.6 118 120 A S T 3 S+ 0 0 117 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.726 113.9 61.3 -57.6 -23.1 -12.3 4.8 -2.9 119 121 A K T 3 S+ 0 0 163 -50,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.595 81.2 104.9 -77.5 -7.7 -10.1 1.6 -3.3 120 122 A V < + 0 0 20 -3,-2.2 -4,-0.1 1,-0.2 -52,-0.0 -0.604 45.6 179.8 -76.0 130.1 -7.4 3.2 -1.2 121 123 A T + 0 0 116 -2,-0.3 -1,-0.2 2,-0.1 -5,-0.0 0.873 56.7 74.1 -97.7 -42.1 -7.3 1.6 2.3 122 124 A K S S- 0 0 49 1,-0.1 2,-0.1 2,-0.1 -54,-0.1 -0.197 83.2-110.8 -71.9 152.6 -4.4 3.6 3.9 123 125 A T > - 0 0 73 1,-0.1 4,-2.5 -52,-0.0 5,-0.2 -0.406 33.0-109.3 -77.5 159.7 -4.5 7.3 5.1 124 126 A F H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.908 121.1 52.0 -57.2 -42.4 -2.4 9.8 3.1 125 127 A E H > S+ 0 0 17 40,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.879 107.7 51.6 -63.2 -38.5 0.1 10.1 6.0 126 128 A E H > S+ 0 0 68 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.923 111.9 47.5 -62.5 -43.6 0.5 6.2 6.1 127 129 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.945 113.8 45.5 -64.8 -50.3 1.2 6.2 2.4 128 130 A F H X>S+ 0 0 0 -4,-2.7 5,-2.7 -5,-0.2 4,-1.2 0.925 117.6 44.7 -55.2 -46.7 3.7 9.1 2.5 129 131 A R H <>S+ 0 0 43 -4,-2.5 5,-2.1 3,-0.2 -2,-0.2 0.922 122.4 34.6 -66.8 -47.8 5.5 7.6 5.6 130 132 A E H <5S+ 0 0 76 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.942 126.7 34.6 -76.3 -45.7 5.6 3.9 4.3 131 133 A Y H <5S+ 0 0 78 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.2 0.565 134.1 13.0 -91.4 -6.7 6.1 4.4 0.6 132 134 A Y T ><5S+ 0 0 18 -4,-1.2 3,-0.6 -5,-0.4 6,-0.3 0.610 124.9 42.5-132.1 -65.3 8.3 7.5 0.5 133 135 A Y T 3 S+ 0 0 91 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.770 101.2 71.5 -61.9 -23.2 14.9 2.5 0.9 137 139 A Q G 3 S+ 0 0 101 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.850 101.8 43.3 -51.7 -36.1 15.1 4.2 -2.5 138 140 A Y G X> S+ 0 0 9 -3,-1.7 3,-2.3 -6,-0.3 4,-0.8 0.060 80.7 140.2-101.9 25.9 15.2 7.5 -0.6 139 141 A Q T <4 S+ 0 0 138 -3,-1.5 3,-0.2 1,-0.3 -1,-0.2 0.840 76.9 18.8 -45.2 -62.3 17.6 6.2 2.0 140 142 A N T 34 S+ 0 0 128 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.368 105.5 91.2 -98.2 22.6 19.9 9.2 2.5 141 143 A L T <4 S+ 0 0 9 -3,-2.3 18,-2.3 17,-0.1 2,-0.3 0.845 72.5 59.7 -86.9 -40.6 17.5 11.8 1.1 142 144 A F B < S-h 159 0B 5 -4,-0.8 2,-0.3 -3,-0.2 18,-0.2 -0.665 88.0-103.2 -92.8 148.0 15.4 13.2 4.0 143 145 A Y + 0 0 12 16,-3.1 18,-0.3 -2,-0.3 29,-0.1 -0.535 40.0 173.1 -57.1 126.6 16.5 14.8 7.2 144 146 A T + 0 0 100 -2,-0.3 -1,-0.1 -4,-0.1 11,-0.1 0.244 33.0 124.7-124.1 7.2 16.3 12.2 9.9 145 147 A G - 0 0 25 9,-0.2 28,-0.1 1,-0.1 -2,-0.0 -0.094 64.0-128.3 -63.8 166.6 17.9 14.1 12.8 146 148 A S S S+ 0 0 126 26,-0.1 2,-0.8 3,-0.0 -1,-0.1 0.294 70.3 116.0-100.6 4.0 16.2 14.7 16.1 147 149 A N - 0 0 55 1,-0.2 26,-0.3 4,-0.1 -2,-0.1 -0.701 50.2-161.6 -79.4 109.9 16.8 18.5 16.2 148 150 A A S S+ 0 0 29 -2,-0.8 -1,-0.2 1,-0.3 27,-0.1 0.788 94.2 37.5 -55.4 -26.0 13.3 20.2 16.1 149 151 A N S S- 0 0 7 -3,-0.1 -1,-0.3 25,-0.1 -3,-0.0 -0.562 91.0-170.6-126.4 70.1 15.2 23.4 15.0 150 152 A P - 0 0 2 0, 0.0 -131,-2.6 0, 0.0 -130,-0.4 -0.214 13.1-133.2 -76.8 159.9 17.9 22.2 12.6 151 153 A T B > -A 18 0A 20 -133,-0.3 4,-1.0 -132,-0.1 -133,-0.2 -0.450 29.0-106.2 -95.4 169.3 20.8 24.2 11.2 152 154 A L H >> S+ 0 0 2 -135,-2.0 4,-1.5 -137,-0.4 3,-0.6 0.872 121.2 58.6 -60.8 -44.8 22.0 24.3 7.7 153 155 A K H 34 S+ 0 0 136 -138,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.895 108.3 46.7 -51.5 -42.6 25.0 22.2 8.7 154 156 A E H 34 S+ 0 0 85 -139,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.714 118.7 38.6 -73.0 -23.3 22.6 19.5 9.9 155 157 A T H X< S+ 0 0 0 -4,-1.0 3,-2.3 -3,-0.6 -49,-0.3 0.442 78.0 138.1-112.6 -0.2 20.4 19.4 6.8 156 158 A K T 3< S+ 0 0 61 -4,-1.5 -51,-0.2 1,-0.3 -53,-0.2 -0.092 79.2 10.2 -43.6 129.6 23.0 19.9 4.0 157 159 A G T 3 S+ 0 0 22 -53,-2.8 -1,-0.3 -56,-0.3 2,-0.3 0.545 114.1 99.9 81.1 1.2 22.2 17.6 1.1 158 160 A K S < S- 0 0 52 -3,-2.3 -52,-2.2 -54,-0.3 2,-0.5 -0.793 71.1-120.3-124.1 161.7 18.7 16.6 2.5 159 161 A I E -gh 106 142B 0 -18,-2.3 -16,-3.1 -2,-0.3 2,-0.7 -0.894 25.7-152.4 -93.8 124.6 15.0 17.3 2.2 160 162 A V E -g 107 0B 0 -54,-3.3 -52,-2.5 -2,-0.5 2,-0.1 -0.872 19.9-125.6-100.9 124.5 13.5 18.5 5.4 161 163 A L E -g 108 0B 2 -2,-0.7 13,-2.5 -18,-0.3 2,-0.6 -0.408 16.7-163.1 -67.5 137.1 9.9 17.6 5.7 162 164 A F E -gi 109 174B 0 -54,-2.9 -52,-1.9 11,-0.2 2,-0.9 -0.961 25.5-141.0-115.4 108.4 7.4 20.4 6.4 163 165 A N E +g 110 0B 0 11,-3.4 3,-0.3 -2,-0.6 18,-0.3 -0.602 44.4 151.4 -88.9 107.6 4.3 18.5 7.6 164 166 A R E +g 111 0B 27 -54,-2.1 -52,-0.6 -2,-0.9 -1,-0.1 0.018 56.5 93.1-109.2 26.5 0.9 19.7 6.4 165 167 A M S S- 0 0 30 1,-0.4 2,-0.2 -54,-0.2 -40,-0.2 0.556 91.7-116.4 -89.0 -6.6 -0.6 16.1 6.6 166 168 A G S S+ 0 0 27 -3,-0.3 -1,-0.4 9,-0.1 14,-0.2 -0.619 75.0 4.4 94.9-167.2 -2.0 16.3 10.2 167 169 A G S S- 0 0 36 12,-0.4 2,-0.3 -2,-0.2 11,-0.3 -0.140 74.9-179.1 -49.3 142.0 -0.6 14.0 12.9 168 170 A T - 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