==== 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 4I9T . 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 . 305 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 67.5 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 . 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 . 28 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 21.3 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 0 1 0 1 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 1 A S 0 0 173 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 93.1 6.1 -33.8 5.5 2 2 A D - 0 0 121 1,-0.1 5,-0.1 2,-0.0 2,-0.0 -0.634 360.0 -84.5 -99.9 162.0 3.0 -32.5 7.4 3 3 A S > - 0 0 50 -2,-0.2 3,-1.9 1,-0.1 4,-0.4 -0.369 36.2-121.1 -58.4 144.9 -0.3 -31.0 6.0 4 4 A L G > S+ 0 0 14 1,-0.3 3,-2.3 2,-0.2 6,-0.2 0.861 112.4 64.9 -54.4 -33.9 -0.0 -27.3 5.3 5 5 A S G 3 S+ 0 0 25 1,-0.3 -1,-0.3 290,-0.2 291,-0.1 0.628 86.7 71.1 -73.1 -12.3 -2.9 -26.8 7.8 6 6 A K G < S+ 0 0 122 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.700 106.5 38.1 -71.3 -19.3 -0.6 -28.0 10.5 7 7 A S X + 0 0 25 -3,-2.3 3,-1.2 -4,-0.4 -1,-0.2 -0.490 67.7 156.6-125.3 74.8 1.3 -24.7 10.1 8 8 A P T 3 + 0 0 28 0, 0.0 3,-0.5 0, 0.0 4,-0.2 0.696 65.2 70.1 -68.3 -17.4 -1.3 -22.1 9.5 9 9 A E T 3 S+ 0 0 43 1,-0.2 50,-0.1 -3,-0.1 3,-0.1 0.769 120.8 13.5 -72.2 -20.4 0.9 -19.2 10.7 10 10 A N S X S+ 0 0 38 -3,-1.2 3,-1.0 -6,-0.2 4,-0.4 0.061 79.4 131.6-144.1 36.5 3.1 -19.6 7.7 11 11 A W G > S+ 0 0 0 -3,-0.5 3,-1.6 1,-0.2 4,-0.2 0.828 71.2 60.7 -60.8 -34.7 1.4 -21.7 5.1 12 12 A M G > S+ 0 0 2 1,-0.3 3,-1.4 -4,-0.2 -1,-0.2 0.805 94.2 66.8 -67.8 -19.6 2.0 -19.4 2.1 13 13 A S G < S+ 0 0 43 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.718 94.2 58.9 -67.6 -19.9 5.7 -19.8 2.7 14 14 A K G < S+ 0 0 88 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.465 93.9 89.0 -88.4 -4.6 5.4 -23.5 1.7 15 15 A L S < S- 0 0 20 -3,-1.4 2,-0.7 -4,-0.2 288,-0.1 -0.494 91.8 -98.2 -89.4 164.9 4.0 -22.5 -1.7 16 16 A D > - 0 0 68 -2,-0.2 3,-1.7 1,-0.1 138,-0.2 -0.711 31.4-150.0 -74.6 114.2 5.7 -21.8 -5.0 17 17 A D T 3 S+ 0 0 30 -2,-0.7 138,-2.8 1,-0.3 139,-0.3 0.489 87.8 79.8 -76.2 3.4 5.8 -18.0 -5.0 18 18 A G T 3 S+ 0 0 40 136,-0.2 -1,-0.3 135,-0.1 2,-0.1 0.608 73.3 105.7 -78.1 -10.5 5.6 -18.0 -8.8 19 19 A K S < S- 0 0 60 -3,-1.7 135,-2.3 134,-0.1 136,-0.2 -0.444 78.9-119.2 -66.1 142.2 1.8 -18.6 -8.3 20 20 A H B > -A 153 0A 38 133,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.569 24.4-120.8 -73.6 143.6 -0.6 -15.7 -9.0 21 21 A L G > S+ 0 0 0 131,-2.1 3,-1.7 1,-0.3 -1,-0.1 0.875 114.4 64.8 -52.3 -35.3 -2.5 -14.9 -5.8 22 22 A T G 3 S+ 0 0 0 130,-0.4 214,-0.4 1,-0.3 -1,-0.3 0.750 98.8 51.5 -56.7 -30.0 -5.7 -15.7 -7.9 23 23 A E G < S+ 0 0 54 -3,-2.0 2,-0.3 212,-0.1 -1,-0.3 0.456 92.8 93.8 -90.4 -0.9 -4.5 -19.4 -8.2 24 24 A I S < S- 0 0 1 -3,-1.7 2,-0.8 -4,-0.4 -12,-0.0 -0.664 78.3-130.0 -90.0 143.6 -4.0 -19.8 -4.4 25 25 A N - 0 0 5 -2,-0.3 252,-0.2 273,-0.2 276,-0.2 -0.872 37.9-173.3 -95.6 109.0 -6.9 -21.1 -2.3 26 26 A I E -b 277 0B 0 -2,-0.8 252,-1.7 250,-0.6 2,-0.4 -0.908 22.9-139.2-115.4 129.8 -7.1 -18.5 0.4 27 27 A P E -b 278 0B 0 0, 0.0 35,-2.7 0, 0.0 36,-1.5 -0.698 28.1-174.5 -82.2 137.0 -9.2 -18.5 3.6 28 28 A G E -bc 279 63B 0 250,-3.1 252,-2.4 -2,-0.4 2,-0.4 -0.855 20.6-127.4-122.6 167.5 -10.7 -15.0 4.4 29 29 A S E > -bc 280 64B 0 34,-2.1 36,-1.6 -2,-0.3 3,-0.7 -0.963 19.3-134.8-116.6 130.1 -12.7 -13.6 7.3 30 30 A H T 3 S- 0 0 18 250,-2.3 252,-0.2 -2,-0.4 4,-0.2 -0.654 89.2 -0.4 -82.6 134.1 -16.0 -11.8 6.7 31 31 A D T > S- 0 0 5 -2,-0.3 3,-2.0 1,-0.1 17,-0.3 0.936 85.3-172.4 53.4 47.1 -16.5 -8.5 8.7 32 32 A S G X + 0 0 0 33,-1.1 3,-0.7 -3,-0.7 34,-0.1 0.715 69.9 58.2 -47.4 -35.5 -13.0 -9.3 10.1 33 33 A G G > S+ 0 0 2 32,-0.5 3,-0.8 1,-0.2 -1,-0.3 0.377 78.0 91.4 -78.2 4.0 -13.0 -6.5 12.7 34 34 A S G X + 0 0 0 -3,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.439 52.9 98.3 -92.6 -0.9 -16.1 -7.5 14.6 35 35 A F G < S+ 0 0 18 -3,-0.7 -1,-0.2 16,-0.3 17,-0.1 0.631 71.9 69.0 -51.9 -23.1 -14.3 -9.7 17.2 36 36 A T G < S+ 0 0 35 -3,-0.8 -1,-0.2 49,-0.2 2,-0.2 0.607 74.0 108.7 -77.2 -16.4 -14.4 -6.8 19.7 37 37 A L < + 0 0 3 -3,-1.7 48,-0.0 1,-0.2 -3,-0.0 -0.478 29.9 160.3 -64.6 135.7 -18.3 -7.0 20.1 38 38 A K + 0 0 153 -2,-0.2 -1,-0.2 9,-0.0 -3,-0.0 0.550 37.8 109.6-126.4 -25.8 -19.4 -8.4 23.5 39 39 A D > - 0 0 70 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.415 61.3-148.2 -59.9 120.8 -23.1 -7.2 23.7 40 40 A P H > S+ 0 0 109 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.878 91.0 45.9 -66.6 -36.6 -25.1 -10.5 23.3 41 41 A V H 4 S+ 0 0 115 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.926 116.7 44.6 -74.8 -43.2 -28.1 -9.1 21.6 42 42 A K H >> S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 3,-1.1 0.848 106.8 61.4 -60.7 -38.8 -26.1 -7.0 19.1 43 43 A S H 3X S+ 0 0 18 -4,-2.1 4,-1.2 1,-0.3 209,-0.3 0.696 86.8 75.4 -66.7 -18.4 -23.7 -9.9 18.5 44 44 A V H 3< S+ 0 0 28 -4,-0.8 208,-2.2 -3,-0.5 -1,-0.3 0.887 119.6 9.2 -60.2 -39.0 -26.5 -12.1 17.1 45 45 A W H <4 S+ 0 0 100 -3,-1.1 199,-0.3 -4,-0.4 -2,-0.2 0.700 135.5 44.6-115.4 -27.2 -26.5 -10.1 13.9 46 46 A A H < S+ 0 0 0 -4,-2.7 2,-0.5 -5,-0.1 -3,-0.2 0.582 93.1 78.7-100.2 -17.0 -23.4 -7.9 14.1 47 47 A K < + 0 0 32 -4,-1.2 206,-0.2 -5,-0.3 205,-0.2 -0.870 39.3 159.5-102.1 132.5 -20.6 -10.2 15.3 48 48 A T + 0 0 1 -2,-0.5 234,-4.3 -17,-0.3 2,-0.3 0.344 62.1 39.8-130.2 0.8 -19.0 -12.6 12.8 49 49 A Q - 0 0 0 232,-0.2 -1,-0.2 233,-0.2 235,-0.1 -0.995 45.5-167.9-150.3 142.0 -15.6 -13.5 14.4 50 50 A D S S+ 0 0 66 -2,-0.3 2,-0.3 233,-0.3 -1,-0.1 0.620 71.7 80.1-104.0 -16.3 -14.4 -14.2 17.9 51 51 A K S S- 0 0 57 232,-0.3 -16,-0.3 1,-0.1 232,-0.1 -0.690 77.7-123.0 -88.2 149.1 -10.6 -14.0 17.2 52 52 A D > - 0 0 60 -2,-0.3 4,-3.1 -17,-0.1 5,-0.2 -0.132 38.5 -93.2 -76.1 171.1 -8.6 -10.8 16.9 53 53 A Y H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.899 124.2 47.2 -59.9 -44.0 -6.6 -9.9 13.7 54 54 A L H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 114.5 48.3 -67.9 -32.5 -3.3 -11.4 14.8 55 55 A T H > S+ 0 0 54 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.916 109.5 51.2 -78.6 -38.3 -5.0 -14.6 16.0 56 56 A Q H <>S+ 0 0 1 -4,-3.1 5,-2.4 2,-0.2 -2,-0.2 0.933 112.1 49.3 -52.8 -43.5 -7.0 -14.9 12.7 57 57 A M H ><5S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.3 -2,-0.2 0.938 108.4 51.7 -67.0 -42.8 -3.6 -14.5 10.9 58 58 A K H 3<5S+ 0 0 96 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.765 105.7 56.3 -64.2 -27.1 -2.0 -17.2 13.0 59 59 A S T 3<5S- 0 0 30 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.407 130.0 -96.3 -87.5 2.7 -4.8 -19.5 12.2 60 60 A G T < 5S+ 0 0 0 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.436 71.1 150.1 108.1 4.2 -4.1 -19.0 8.4 61 61 A V < + 0 0 0 -5,-2.4 -1,-0.3 -6,-0.2 -33,-0.2 -0.504 8.4 164.2 -68.7 126.6 -6.5 -16.2 7.4 62 62 A R + 0 0 2 -35,-2.7 47,-3.2 -2,-0.2 2,-0.5 0.507 55.3 66.6-123.5 -10.7 -5.0 -14.1 4.6 63 63 A F E -cd 28 109B 0 -36,-1.5 -34,-2.1 45,-0.2 2,-0.4 -0.968 65.2-166.4-112.0 127.3 -8.0 -12.2 3.2 64 64 A F E -cd 29 110B 0 45,-2.5 47,-2.4 -2,-0.5 2,-1.1 -0.942 15.0-151.4-116.9 128.3 -9.5 -9.6 5.5 65 65 A D E - d 0 111B 1 -36,-1.6 -33,-1.1 -2,-0.4 -32,-0.5 -0.803 25.4-176.1-100.7 91.2 -12.9 -8.0 4.8 66 66 A I E - d 0 112B 1 45,-1.9 47,-1.5 -2,-1.1 2,-0.5 -0.797 6.9-164.4 -94.1 130.5 -12.3 -4.6 6.6 67 67 A R E - d 0 113B 26 -2,-0.5 12,-2.3 12,-0.3 2,-0.3 -0.952 12.0-167.3-117.6 137.2 -15.3 -2.2 6.7 68 68 A G E -Ed 78 114B 0 45,-3.1 47,-3.0 -2,-0.5 48,-0.7 -0.758 23.3-161.1-126.7 159.7 -14.9 1.4 7.5 69 69 A R E -E 77 0B 57 8,-2.7 8,-2.9 -2,-0.3 2,-0.7 -0.989 32.4-121.2-131.0 135.4 -16.6 4.6 8.4 70 70 A A E +E 76 0B 0 46,-0.4 49,-2.5 -2,-0.4 6,-0.2 -0.626 34.2 172.8 -71.8 110.3 -14.8 8.0 7.9 71 71 A S E + 0 0 29 4,-1.7 2,-0.3 -2,-0.7 50,-0.2 0.691 67.4 1.0 -92.7 -19.8 -14.8 9.5 11.5 72 72 A A E > S-E 75 0B 25 3,-1.4 3,-2.3 49,-0.1 -1,-0.2 -0.937 85.2 -92.4-155.3 168.1 -12.6 12.6 10.6 73 73 A D T 3 S+ 0 0 45 1,-0.3 60,-0.1 -2,-0.3 3,-0.1 0.558 131.1 31.7 -60.7 -11.3 -11.0 14.0 7.5 74 74 A N T 3 S+ 0 0 81 1,-0.1 2,-0.4 59,-0.0 -1,-0.3 0.054 111.8 79.7-130.9 23.1 -7.9 12.0 8.6 75 75 A M E < -E 72 0B 61 -3,-2.3 -4,-1.7 14,-0.0 -3,-1.4 -0.960 47.4-169.6-145.0 134.3 -9.5 9.1 10.2 76 76 A I E -E 70 0B 1 -2,-0.4 13,-3.2 -6,-0.2 2,-0.4 -0.955 14.1-160.5-120.5 120.4 -11.2 5.8 9.3 77 77 A S E -EF 69 88B 6 -8,-2.9 -8,-2.7 -2,-0.5 2,-0.4 -0.792 24.1-117.4 -95.3 142.9 -13.0 3.7 12.1 78 78 A V E +E 68 0B 2 9,-2.2 7,-2.6 -2,-0.4 9,-0.4 -0.674 46.6 167.3 -82.0 131.6 -13.7 0.1 11.6 79 79 A H E - F 0 84B 7 -12,-2.3 2,-0.4 -2,-0.4 -12,-0.3 -0.870 45.1-139.2-136.8 160.1 -17.5 -0.6 11.6 80 80 A H E > S- F 0 83B 32 3,-2.3 3,-2.3 -2,-0.3 2,-0.1 -0.910 80.6 -65.9-117.8 93.1 -20.2 -3.2 10.8 81 81 A G T 3 S- 0 0 19 -2,-0.4 34,-0.1 1,-0.3 -1,-0.1 -0.408 122.3 -6.2 63.1-128.2 -22.7 -0.8 9.2 82 82 A M T 3 S+ 0 0 123 -3,-0.1 2,-0.5 -2,-0.1 -1,-0.3 0.688 116.9 99.3 -61.6 -26.4 -23.9 1.6 11.9 83 83 A V E < -F 80 0B 10 -3,-2.3 -3,-2.3 1,-0.1 2,-0.3 -0.584 68.6-140.2 -80.2 119.4 -22.0 -0.4 14.6 84 84 A Y E -F 79 0B 87 -2,-0.5 -5,-0.2 -5,-0.2 -2,-0.1 -0.569 4.7-155.4 -73.6 130.4 -18.6 1.0 15.8 85 85 A L E - 0 0 1 -7,-2.6 -49,-0.2 -2,-0.3 -6,-0.1 0.363 37.6-114.4 -93.4 3.9 -16.1 -1.8 16.3 86 86 A H E S+ 0 0 115 -8,-0.3 2,-0.3 1,-0.2 -7,-0.1 0.602 84.3 76.5 79.9 13.2 -13.9 0.1 18.8 87 87 A H E S- 0 0 12 -9,-0.4 -9,-2.2 -54,-0.0 -2,-0.3 -0.981 70.8-124.2-145.5 158.5 -10.7 0.4 16.8 88 88 A E E >> -F 77 0B 61 -2,-0.3 3,-1.2 -11,-0.2 4,-0.7 -0.509 36.8 -99.3 -97.5 171.8 -9.5 2.6 13.9 89 89 A L H >> S+ 0 0 0 -13,-3.2 4,-2.1 1,-0.3 3,-0.7 0.854 117.5 67.1 -61.0 -33.8 -8.1 1.3 10.6 90 90 A G H 3> S+ 0 0 11 -14,-0.3 4,-2.7 1,-0.3 -1,-0.3 0.806 92.6 63.7 -56.3 -28.1 -4.4 1.9 11.8 91 91 A K H <> S+ 0 0 78 -3,-1.2 4,-2.2 2,-0.2 -1,-0.3 0.942 104.9 41.5 -61.7 -48.1 -5.0 -0.9 14.3 92 92 A F H < S+ 0 0 64 -4,-2.2 3,-1.5 -5,-0.2 56,-0.3 -0.686 72.9 172.9-128.6 78.1 6.1 -14.1 8.7 104 104 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.564 70.7 61.5 -73.2 -9.8 7.8 -12.4 5.7 105 105 A N T 3 S+ 0 0 67 53,-0.1 2,-0.3 54,-0.1 53,-0.1 0.269 88.0 85.2-102.6 16.2 6.7 -15.0 3.1 106 106 A E < - 0 0 0 -3,-1.5 53,-3.7 -6,-0.2 2,-0.4 -0.766 63.0-152.1-101.8 153.2 2.9 -14.5 3.6 107 107 A T - 0 0 0 -2,-0.3 2,-0.4 51,-0.3 54,-0.2 -0.958 4.8-146.1-119.7 158.8 0.8 -11.9 1.8 108 108 A I E - g 0 161B 0 52,-1.9 54,-2.9 -2,-0.4 2,-0.6 -0.944 2.8-152.8-121.1 133.1 -2.3 -10.3 3.1 109 109 A V E -dg 63 162B 1 -47,-3.2 -45,-2.5 -2,-0.4 2,-0.7 -0.948 15.0-161.7-104.9 119.1 -5.2 -9.2 0.8 110 110 A M E -dg 64 163B 0 52,-2.9 54,-2.6 -2,-0.6 2,-0.3 -0.880 5.6-157.5-109.6 106.6 -7.1 -6.4 2.4 111 111 A S E -dg 65 164B 0 -47,-2.4 -45,-1.9 -2,-0.7 2,-0.5 -0.590 12.5-164.3 -74.5 129.9 -10.7 -5.6 1.1 112 112 A M E +dg 66 165B 0 52,-1.8 54,-2.3 -2,-0.3 2,-0.3 -0.986 15.8 163.8-124.1 121.9 -11.6 -2.0 2.0 113 113 A K E -dg 67 166B 50 -47,-1.5 -45,-3.1 -2,-0.5 2,-0.6 -0.997 40.8-118.3-141.0 141.4 -15.2 -0.9 1.8 114 114 A K E +d 68 0B 97 52,-0.5 -45,-0.2 -2,-0.3 3,-0.1 -0.708 32.3 178.3 -73.5 116.3 -17.2 2.0 3.1 115 115 A D + 0 0 25 -47,-3.0 2,-0.3 -2,-0.6 -46,-0.2 0.480 57.1 10.6-105.8 -4.8 -19.8 0.6 5.4 116 116 A Y S S- 0 0 90 -48,-0.7 -46,-0.4 -34,-0.1 -1,-0.2 -0.987 89.2 -69.9-167.7 159.6 -21.7 3.6 6.8 117 117 A D - 0 0 105 -2,-0.3 3,-0.1 -48,-0.1 -2,-0.0 -0.303 56.1-107.3 -56.8 136.3 -22.2 7.4 6.3 118 118 A S - 0 0 34 1,-0.1 -47,-0.2 -49,-0.1 -1,-0.1 -0.112 43.7 -85.3 -59.5 152.3 -19.2 9.6 7.3 119 119 A D > - 0 0 40 -49,-2.5 3,-2.2 1,-0.1 -1,-0.1 -0.348 42.8-109.6 -55.1 147.2 -19.3 11.7 10.4 120 120 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.801 117.7 54.4 -45.8 -42.9 -21.1 15.2 10.0 121 121 A K T 3 S+ 0 0 141 -50,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.572 82.0 109.5 -77.6 -10.3 -17.8 17.0 10.3 122 122 A V < + 0 0 22 -3,-2.2 -4,-0.0 -52,-0.2 -52,-0.0 -0.492 37.0 174.6 -68.2 133.6 -16.1 15.0 7.5 123 123 A T + 0 0 116 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.507 57.1 74.7-112.6 -11.0 -15.5 17.1 4.3 124 124 A K S S- 0 0 55 1,-0.1 2,-0.1 2,-0.0 -54,-0.1 -0.679 85.6-105.2-100.5 151.3 -13.5 14.5 2.3 125 125 A T > - 0 0 76 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.453 31.7-115.7 -68.3 158.2 -14.7 11.3 0.4 126 126 A F H > S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.898 117.0 53.4 -59.9 -41.8 -14.0 8.0 2.1 127 127 A E H > S+ 0 0 18 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.926 108.7 48.3 -64.5 -42.1 -11.7 7.0 -0.9 128 128 A E H > S+ 0 0 59 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.883 112.9 48.8 -60.6 -41.9 -9.7 10.3 -0.6 129 129 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.5 0.956 113.7 44.7 -66.6 -52.6 -9.2 9.8 3.1 130 130 A F H X>S+ 0 0 0 -4,-2.8 5,-2.4 3,-0.2 4,-1.4 0.943 116.6 48.2 -51.9 -51.1 -8.2 6.2 2.7 131 131 A R H <>S+ 0 0 41 -4,-3.2 5,-2.9 -5,-0.2 -2,-0.2 0.961 122.5 30.2 -58.4 -51.6 -5.8 7.2 -0.2 132 132 A E H <5S+ 0 0 70 -4,-3.0 -3,-0.2 3,-0.2 -2,-0.2 0.852 127.2 37.9 -82.5 -39.1 -4.1 10.2 1.4 133 133 A Y H <5S+ 0 0 85 -4,-2.8 -3,-0.2 -5,-0.4 -1,-0.2 0.548 133.8 12.8 -95.6 -5.2 -4.2 9.2 5.1 134 134 A Y T ><5S+ 0 0 10 -4,-1.4 3,-0.7 -5,-0.5 6,-0.3 0.587 127.3 39.4-126.8 -66.7 -3.5 5.5 4.8 135 135 A Y T 3 S+ 0 0 103 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.808 99.3 73.4 -55.5 -30.2 4.6 7.8 5.0 139 139 A Q G 3 S+ 0 0 117 1,-0.3 -2,-0.0 -3,-0.0 -5,-0.0 0.793 102.9 38.7 -52.7 -30.1 3.7 6.1 8.3 140 140 A Y G X> S+ 0 0 15 -3,-2.7 3,-1.1 -6,-0.3 4,-0.7 -0.121 85.0 152.7-113.5 37.9 2.8 3.0 6.3 141 141 A Q T <4 S+ 0 0 134 -3,-1.9 -5,-0.1 1,-0.2 -6,-0.0 -0.440 70.1 10.8 -67.2 140.2 5.5 3.2 3.7 142 142 A N T 34 S+ 0 0 131 -2,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.171 103.5 99.2 76.1 -14.2 6.6 -0.1 2.3 143 143 A L T <4 S+ 0 0 9 -3,-1.1 18,-2.2 17,-0.1 2,-0.2 0.897 72.3 60.2 -70.7 -43.6 3.5 -1.9 3.8 144 144 A F B < S-h 161 0B 7 -4,-0.7 2,-0.4 16,-0.3 18,-0.2 -0.536 90.9-106.7 -85.9 149.2 1.2 -1.9 0.7 145 145 A Y + 0 0 7 16,-3.0 18,-0.3 -2,-0.2 29,-0.1 -0.635 39.4 173.3 -65.8 124.1 1.8 -3.6 -2.6 146 146 A T + 0 0 102 -2,-0.4 -1,-0.1 -4,-0.1 16,-0.0 0.064 32.2 126.4-124.0 21.4 2.4 -0.6 -4.9 147 147 A G - 0 0 23 9,-0.1 28,-0.2 1,-0.1 -2,-0.0 -0.252 62.0-131.0 -73.1 166.9 3.4 -2.7 -8.0 148 148 A S + 0 0 121 26,-0.1 2,-0.5 3,-0.0 -1,-0.1 0.273 67.6 118.1-102.7 13.9 1.7 -2.2 -11.4 149 149 A N - 0 0 63 1,-0.2 26,-0.4 7,-0.1 -2,-0.1 -0.678 50.5-159.3 -76.6 121.6 1.0 -5.9 -12.1 150 150 A A S S+ 0 0 26 -2,-0.5 -1,-0.2 1,-0.3 27,-0.1 0.752 94.7 36.7 -70.9 -22.4 -2.8 -6.3 -12.4 151 151 A N S S- 0 0 13 -3,-0.1 -1,-0.3 25,-0.1 -3,-0.0 -0.578 91.0-169.4-121.7 66.0 -2.4 -10.1 -11.6 152 152 A P - 0 0 1 0, 0.0 -131,-2.1 0, 0.0 -130,-0.4 -0.121 13.3-130.5 -66.1 151.2 0.5 -10.1 -9.0 153 153 A T B > -A 20 0A 22 -133,-0.3 4,-1.0 -132,-0.1 -133,-0.3 -0.519 28.0-104.3 -89.0 169.8 2.3 -13.3 -7.9 154 154 A L H >> S+ 0 0 0 -135,-2.3 4,-2.5 -138,-0.2 3,-0.8 0.911 119.9 57.9 -59.1 -42.6 3.0 -14.4 -4.3 155 155 A K H 34 S+ 0 0 123 -138,-2.8 -1,-0.2 1,-0.2 -137,-0.1 0.899 108.4 45.4 -55.9 -44.3 6.8 -13.3 -4.7 156 156 A E H 34 S+ 0 0 61 -139,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.663 122.6 35.2 -78.2 -16.0 5.8 -9.8 -5.6 157 157 A T H X< S+ 0 0 0 -4,-1.0 3,-1.8 -3,-0.8 -49,-0.3 0.581 83.3 114.9-109.3 -16.1 3.3 -9.4 -2.8 158 158 A K T 3< S+ 0 0 50 -4,-2.5 -51,-0.3 1,-0.3 -53,-0.1 -0.277 81.9 24.8 -66.9 145.0 4.6 -11.3 0.1 159 159 A G T 3 S+ 0 0 27 -53,-3.7 2,-0.3 -56,-0.3 -1,-0.3 0.443 116.1 83.6 74.9 6.8 5.4 -9.2 3.1 160 160 A K S < S- 0 0 77 -3,-1.8 -52,-1.9 -54,-0.3 2,-0.5 -0.875 79.8-116.2-133.6 159.5 2.9 -6.6 1.8 161 161 A I E -gh 108 144B 0 -18,-2.2 -16,-3.0 -2,-0.3 2,-0.5 -0.896 25.5-150.8 -90.5 131.8 -0.8 -5.9 2.0 162 162 A V E -g 109 0B 0 -54,-2.9 -52,-2.9 -2,-0.5 2,-0.3 -0.875 19.4-126.2-103.2 126.3 -2.5 -6.0 -1.5 163 163 A L E -g 110 0B 1 -2,-0.5 13,-1.9 -18,-0.3 2,-0.6 -0.580 16.7-164.6 -69.6 131.6 -5.6 -3.7 -1.7 164 164 A F E -gi 111 176B 0 -54,-2.6 -52,-1.8 -2,-0.3 2,-0.7 -0.966 27.7-141.3-113.8 107.7 -8.8 -5.4 -2.8 165 165 A N E +g 112 0B 0 11,-3.3 18,-0.4 -2,-0.6 3,-0.2 -0.574 43.5 154.8 -91.5 109.5 -10.7 -2.2 -3.6 166 166 A R E +g 113 0B 31 -54,-2.3 -52,-0.5 -2,-0.7 -1,-0.2 -0.050 55.0 95.5-113.7 29.3 -14.5 -2.2 -2.6 167 167 A M S S- 0 0 30 1,-0.4 2,-0.2 -54,-0.2 -40,-0.2 0.518 91.8-119.0 -86.7 -9.6 -14.5 1.6 -2.3 168 168 A G S S+ 0 0 31 -3,-0.2 -1,-0.4 9,-0.1 14,-0.2 -0.627 76.0 5.6 95.3-161.4 -15.8 2.2 -5.9 169 169 A G S S- 0 0 39 12,-0.4 2,-0.3 11,-0.3 11,-0.3 -0.185 77.0-177.2 -52.5 136.1 -13.6 4.1 -8.3 170 170 A T - 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