==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JUN-07 2QB8 . COMPND 2 MOLECULE: EXOPOLYPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.A.WHITE,E.UGOCHUKWU . 782 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 551 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 48 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 279 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 2 2 0 2 4 0 2 2 1 4 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 1 2 4 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 0 0 2 4 0 0 0 2 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 1 3 0 0 0 0 0 0 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 5 A R 0 0 111 0, 0.0 2,-0.1 0, 0.0 50,-0.0 0.000 360.0 360.0 360.0 129.7 53.0 -28.2 20.5 2 6 A K - 0 0 72 1,-0.1 2,-0.1 4,-0.1 49,-0.0 -0.358 360.0-128.8 -73.6 144.8 49.5 -28.0 21.9 3 7 A T > - 0 0 46 -2,-0.1 4,-2.4 1,-0.0 5,-0.2 -0.241 42.0 -89.5 -72.8 178.5 48.1 -24.8 23.4 4 8 A V H > S+ 0 0 1 182,-0.3 4,-2.4 1,-0.2 5,-0.2 0.950 128.5 44.7 -61.8 -51.9 46.5 -25.0 26.9 5 9 A P H > S+ 0 0 16 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.880 113.6 52.0 -57.7 -40.2 43.0 -25.9 25.7 6 10 A E H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.904 109.7 49.1 -63.0 -41.4 44.4 -28.4 23.3 7 11 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.935 112.8 47.1 -61.4 -48.7 46.5 -30.1 26.1 8 12 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.908 112.2 49.4 -61.4 -45.4 43.4 -30.3 28.3 9 13 A A H X S+ 0 0 39 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.890 109.4 53.9 -58.6 -40.7 41.3 -31.7 25.5 10 14 A H H X S+ 0 0 53 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.904 107.0 50.0 -62.4 -43.6 44.0 -34.2 24.9 11 15 A L H >< S+ 0 0 2 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.916 109.9 50.9 -57.8 -46.8 44.0 -35.3 28.5 12 16 A K H 3< S+ 0 0 72 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.814 108.7 53.7 -60.8 -31.3 40.2 -35.8 28.4 13 17 A S H 3< S+ 0 0 82 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.637 93.7 88.8 -78.6 -17.1 40.6 -37.9 25.2 14 18 A L S << S- 0 0 33 -3,-0.9 2,-0.1 -4,-0.8 5,-0.0 -0.499 81.9-111.1 -85.7 151.4 43.1 -40.4 26.7 15 19 A P >> - 0 0 73 0, 0.0 3,-1.7 0, 0.0 4,-0.7 -0.500 33.7-114.5 -67.6 152.7 42.4 -43.6 28.5 16 20 A I H >> S+ 0 0 40 1,-0.3 4,-2.7 2,-0.2 3,-1.0 0.836 115.7 62.7 -62.1 -30.8 43.3 -43.4 32.2 17 21 A S H 34 S+ 0 0 99 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.666 101.5 51.4 -68.5 -19.2 46.0 -46.0 31.7 18 22 A K H <4 S+ 0 0 142 -3,-1.7 48,-0.3 1,-0.1 -1,-0.3 0.568 111.1 48.1 -88.8 -14.9 47.8 -43.6 29.3 19 23 A I H << S+ 0 0 5 -3,-1.0 47,-0.4 -4,-0.7 7,-0.3 0.850 108.0 62.0 -86.4 -46.8 47.7 -40.8 31.9 20 24 A A S < S- 0 0 13 -4,-2.7 2,-0.4 5,-0.1 5,-0.2 -0.373 73.8-155.8 -70.5 156.8 49.0 -43.1 34.7 21 25 A S B > S-A 24 0A 71 3,-2.3 3,-1.0 1,-0.1 44,-0.1 -0.989 70.4 -10.2-139.9 131.8 52.4 -44.6 34.4 22 26 A N T 3 S- 0 0 154 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.878 130.5 -53.8 43.1 48.3 53.6 -47.7 36.1 23 27 A D T 3 S+ 0 0 98 1,-0.2 93,-2.1 -6,-0.1 2,-0.4 0.828 113.5 115.5 57.9 38.4 50.4 -47.7 38.2 24 28 A V E < -Ab 21 116A 36 -3,-1.0 -3,-2.3 91,-0.2 2,-0.5 -0.987 46.9-163.4-130.2 124.7 50.8 -44.2 39.5 25 29 A L E - b 0 117A 0 91,-2.9 93,-2.2 -2,-0.4 2,-0.5 -0.948 14.7-157.7-103.9 124.3 48.3 -41.5 38.5 26 30 A T E + b 0 118A 14 -2,-0.5 42,-2.2 40,-0.5 2,-0.2 -0.902 14.3 174.8-111.8 132.0 49.6 -38.0 39.2 27 31 A I E -cb 68 119A 0 91,-2.6 93,-2.6 -2,-0.5 2,-0.4 -0.761 22.6-142.8-120.1 171.1 47.5 -34.9 39.7 28 32 A C E -cb 69 120A 0 40,-2.4 42,-2.9 -2,-0.2 2,-0.4 -0.968 26.1-179.3-135.7 122.6 48.2 -31.2 40.6 29 33 A V E -cb 70 121A 0 91,-2.2 93,-2.2 -2,-0.4 42,-0.1 -0.939 17.1-151.1-128.4 144.4 45.6 -29.5 42.8 30 34 A G - 0 0 2 40,-1.0 93,-0.2 -2,-0.4 2,-0.1 0.046 46.0 -61.9 -86.5-158.7 45.2 -26.0 44.3 31 35 A N > - 0 0 4 92,-0.1 3,-1.6 1,-0.1 41,-0.4 -0.368 48.1 -97.5 -93.5 172.0 43.4 -25.2 47.5 32 36 A E T 3 S+ 0 0 58 1,-0.3 231,-0.2 -2,-0.1 -1,-0.1 0.619 117.8 63.8 -61.9 -17.7 39.8 -25.7 48.7 33 37 A S T 3 S- 0 0 2 229,-0.1 -1,-0.3 40,-0.0 230,-0.1 0.708 85.9-154.9 -80.6 -19.6 38.8 -22.1 47.8 34 38 A A < + 0 0 1 -3,-1.6 -2,-0.1 1,-0.1 2,-0.1 0.897 30.5 164.2 44.9 53.4 39.5 -22.7 44.1 35 39 A D > - 0 0 40 1,-0.0 4,-2.2 49,-0.0 5,-0.2 -0.236 57.1 -82.6 -84.7-178.7 40.2 -19.0 43.4 36 40 A M H > S+ 0 0 3 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.923 130.0 50.4 -50.9 -50.4 42.0 -17.6 40.3 37 41 A D H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.919 110.6 47.6 -57.5 -47.7 45.4 -18.3 41.7 38 42 A S H > S+ 0 0 4 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.888 117.8 42.5 -61.4 -41.1 44.6 -22.0 42.6 39 43 A I H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.939 117.0 45.0 -73.4 -48.3 43.1 -22.6 39.2 40 44 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 -5,-0.2 5,-0.2 0.907 114.2 50.8 -60.4 -43.9 45.8 -20.8 37.1 41 45 A S H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.912 111.5 46.1 -63.8 -44.1 48.6 -22.4 39.2 42 46 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.2 5,-0.2 0.917 115.4 44.8 -67.6 -44.3 47.3 -25.9 38.8 43 47 A I H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.922 114.6 50.0 -65.9 -41.9 46.7 -25.7 35.0 44 48 A T H X S+ 0 0 1 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.911 110.3 49.3 -63.7 -45.2 50.0 -23.9 34.5 45 49 A Y H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.948 114.4 45.0 -60.1 -48.6 52.0 -26.5 36.4 46 50 A S H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 21,-0.3 0.918 115.7 46.8 -62.0 -46.5 50.4 -29.4 34.5 47 51 A Y H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.930 112.0 48.9 -63.5 -47.5 50.8 -27.7 31.1 48 52 A C H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.869 109.4 53.4 -62.7 -36.6 54.4 -26.7 31.6 49 53 A Q H X S+ 0 0 21 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.897 108.4 50.8 -63.5 -42.0 55.3 -30.2 32.8 50 54 A Y H X S+ 0 0 24 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.916 112.9 44.1 -59.6 -47.8 53.8 -31.6 29.6 51 55 A I H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 3,-0.4 0.938 114.2 51.1 -66.9 -44.2 55.7 -29.3 27.3 52 56 A Y H < S+ 0 0 21 -4,-2.6 6,-0.6 1,-0.2 3,-0.4 0.910 109.0 50.5 -55.9 -48.2 58.9 -29.9 29.3 53 57 A N H < S+ 0 0 35 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.739 113.6 42.9 -65.8 -29.5 58.6 -33.7 29.1 54 58 A E H < S+ 0 0 95 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.622 108.5 72.0 -92.5 -15.8 58.1 -33.9 25.3 55 59 A G S >< S- 0 0 18 -4,-1.2 3,-0.5 -3,-0.4 -3,-0.0 -0.155 92.6 -97.6 -97.2-169.8 60.7 -31.3 24.4 56 60 A T G > S+ 0 0 104 1,-0.2 3,-0.7 2,-0.1 -4,-0.1 0.281 106.3 78.0-100.1 5.0 64.5 -31.0 24.3 57 61 A Y G 3 S+ 0 0 21 -5,-0.3 -1,-0.2 1,-0.2 -4,-0.1 0.745 99.0 50.7 -74.9 -28.8 65.0 -29.3 27.7 58 62 A S G X S+ 0 0 12 -6,-0.6 3,-0.5 -3,-0.5 2,-0.4 -0.214 79.2 135.2-103.0 38.9 64.4 -32.8 29.1 59 63 A E T < S+ 0 0 128 -3,-0.7 -3,-0.1 1,-0.2 3,-0.1 -0.779 80.0 9.4 -87.4 133.0 67.0 -34.6 26.8 60 64 A E T 3 S+ 0 0 194 -2,-0.4 2,-0.2 1,-0.0 -1,-0.2 0.516 121.4 76.2 65.6 7.6 69.1 -37.1 28.8 61 65 A K S < S+ 0 0 114 -3,-0.5 -1,-0.0 2,-0.1 -4,-0.0 -0.780 73.1 161.4-134.8 95.6 66.7 -36.5 31.8 62 66 A K + 0 0 184 -2,-0.2 -3,-0.0 -3,-0.1 2,-0.0 0.471 21.9 78.4 -97.0-136.8 63.7 -38.5 30.6 63 67 A K + 0 0 192 1,-0.1 -2,-0.1 -10,-0.0 -5,-0.0 -0.274 41.6 149.3 66.6-155.8 60.6 -40.1 32.3 64 68 A G - 0 0 40 2,-0.1 -1,-0.1 -43,-0.0 3,-0.1 0.950 27.4-153.7 98.6 85.4 57.8 -37.7 33.1 65 69 A S - 0 0 39 1,-0.1 -45,-0.1 -44,-0.1 -46,-0.1 -0.301 35.7 -83.8 -75.7 163.1 54.1 -38.8 33.1 66 70 A F - 0 0 46 -47,-0.4 -40,-0.5 -48,-0.3 2,-0.5 -0.308 37.8-145.1 -55.3 148.1 51.1 -36.5 32.5 67 71 A I - 0 0 5 -21,-0.3 -40,-0.3 -3,-0.1 -17,-0.1 -0.993 8.4-142.2-120.2 122.3 49.9 -34.5 35.4 68 72 A V E -c 27 0A 0 -42,-2.2 -40,-2.4 -2,-0.5 2,-0.3 -0.746 15.3-137.3 -85.6 118.9 46.1 -33.9 35.6 69 73 A P E -c 28 0A 2 0, 0.0 2,-0.4 0, 0.0 30,-0.4 -0.643 22.0-160.1 -76.1 134.6 45.2 -30.4 36.9 70 74 A I E -c 29 0A 1 -42,-2.9 -40,-1.0 -2,-0.3 2,-0.6 -0.931 16.2-153.1-119.4 135.4 42.4 -30.5 39.4 71 75 A I - 0 0 6 28,-2.6 2,-2.0 -2,-0.4 30,-0.3 -0.958 25.3-135.3-104.1 120.8 40.1 -27.7 40.5 72 76 A D S S+ 0 0 6 -2,-0.6 28,-0.1 -41,-0.4 58,-0.1 -0.298 71.3 73.7 -86.6 56.4 39.0 -28.6 44.1 73 77 A I S S- 0 0 10 -2,-2.0 28,-2.2 -40,-0.0 29,-0.3 -0.964 91.8 -78.9-147.9 163.9 35.2 -27.9 43.9 74 78 A P > - 0 0 47 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.439 45.7-116.2 -61.8 140.9 32.1 -29.4 42.3 75 79 A R G > S+ 0 0 53 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.873 113.4 60.3 -47.8 -44.0 31.9 -28.5 38.6 76 80 A E G > S+ 0 0 160 1,-0.3 3,-0.8 2,-0.1 -1,-0.3 0.752 95.2 63.2 -60.2 -28.5 28.7 -26.5 39.2 77 81 A D G X S+ 0 0 23 -3,-1.7 3,-1.4 1,-0.2 4,-0.3 0.595 78.9 81.9 -76.3 -11.8 30.4 -24.1 41.6 78 82 A L G X S+ 0 0 5 -3,-1.8 3,-2.2 -4,-0.4 7,-0.3 0.892 82.1 66.4 -55.9 -37.9 32.8 -22.8 38.9 79 83 A S G < S+ 0 0 62 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.685 88.3 66.6 -60.9 -19.0 30.0 -20.4 37.8 80 84 A L G < S+ 0 0 8 -3,-1.4 2,-0.9 1,-0.2 -1,-0.3 0.628 89.4 69.1 -75.9 -13.8 30.3 -18.6 41.2 81 85 A R <> + 0 0 7 -3,-2.2 4,-2.5 -4,-0.3 -1,-0.2 -0.727 61.5 171.8-104.8 79.4 33.7 -17.3 40.2 82 86 A R H > S+ 0 0 74 -2,-0.9 4,-1.6 164,-0.4 165,-0.2 0.800 76.4 56.0 -65.5 -28.7 32.7 -14.9 37.4 83 87 A D H > S+ 0 0 8 163,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.928 109.1 45.5 -63.3 -47.4 36.3 -13.6 37.2 84 88 A V H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.921 109.2 55.7 -64.1 -43.9 37.7 -17.1 36.6 85 89 A M H X S+ 0 0 61 -4,-2.5 4,-2.4 -7,-0.3 -1,-0.2 0.907 108.1 50.1 -57.2 -39.7 34.9 -17.9 34.0 86 90 A Y H X S+ 0 0 25 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.899 109.9 48.2 -65.6 -44.0 36.0 -14.8 32.1 87 91 A V H X S+ 0 0 1 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.913 113.1 48.5 -65.7 -41.6 39.7 -15.7 32.0 88 92 A L H <>S+ 0 0 7 -4,-2.6 5,-2.8 1,-0.2 4,-0.4 0.925 109.7 51.8 -63.7 -44.8 38.9 -19.2 30.9 89 93 A E H ><5S+ 0 0 128 -4,-2.4 3,-0.7 -5,-0.2 -1,-0.2 0.868 107.8 54.0 -57.3 -39.0 36.6 -17.9 28.1 90 94 A K H 3<5S+ 0 0 120 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.811 112.4 41.4 -66.8 -35.5 39.4 -15.6 26.9 91 95 A L T 3<5S- 0 0 30 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.379 115.1-118.3 -89.9 1.8 41.9 -18.5 26.6 92 96 A K T < 5 + 0 0 132 -3,-0.7 2,-0.7 -4,-0.4 -3,-0.2 0.817 58.5 156.8 59.9 35.5 39.1 -20.6 25.1 93 97 A I < - 0 0 8 -5,-2.8 2,-0.2 -6,-0.2 -1,-0.2 -0.846 31.0-148.7 -88.7 116.5 39.3 -23.2 27.9 94 98 A K > - 0 0 98 -2,-0.7 3,-2.0 -3,-0.1 4,-0.3 -0.596 18.6-125.1 -86.9 145.4 35.9 -25.0 28.1 95 99 A E G > S+ 0 0 85 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.851 112.3 61.2 -57.3 -31.8 34.5 -26.3 31.3 96 100 A E G 3 S+ 0 0 126 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.652 99.2 57.1 -71.7 -14.3 34.2 -29.7 29.7 97 101 A E G < S+ 0 0 33 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.445 97.5 83.8 -87.7 -5.6 38.0 -29.7 29.2 98 102 A L S < S- 0 0 2 -3,-1.7 2,-0.5 -4,-0.3 -28,-0.1 -0.531 72.4-130.9-102.4 165.7 38.6 -29.2 33.0 99 103 A F + 0 0 12 -30,-0.4 -28,-2.6 -2,-0.2 2,-0.1 -0.973 29.4 171.1-121.9 119.3 38.7 -31.6 35.9 100 104 A F > - 0 0 0 -2,-0.5 4,-2.3 -30,-0.2 5,-0.2 -0.374 55.2 -74.0-112.5-170.3 36.7 -30.9 39.1 101 105 A I H > S+ 0 0 21 -28,-2.2 4,-2.6 -30,-0.3 5,-0.2 0.923 132.3 52.9 -56.2 -44.1 36.0 -33.0 42.2 102 106 A E H > S+ 0 0 82 -29,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.909 109.9 48.5 -58.2 -42.4 33.6 -35.2 40.2 103 107 A D H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 110.1 50.6 -65.0 -40.7 36.3 -35.9 37.6 104 108 A L H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.886 110.3 50.4 -64.9 -40.5 38.8 -36.7 40.3 105 109 A K H X S+ 0 0 97 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.910 109.9 50.5 -60.6 -42.7 36.3 -39.2 41.9 106 110 A S H X S+ 0 0 57 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.860 110.2 50.1 -63.3 -39.1 35.8 -40.8 38.4 107 111 A L H X S+ 0 0 11 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.922 110.5 48.8 -63.2 -47.5 39.5 -41.2 37.9 108 112 A K H < S+ 0 0 62 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.843 116.2 44.6 -61.1 -35.7 39.9 -42.8 41.4 109 113 A Q H < S+ 0 0 150 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.816 117.7 41.8 -78.0 -35.2 37.0 -45.2 40.5 110 114 A N H < S+ 0 0 104 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.495 92.7 94.8 -98.6 -7.1 38.1 -46.0 37.0 111 115 A V S < S- 0 0 23 -4,-1.4 4,-0.0 -5,-0.1 -94,-0.0 -0.499 95.2 -81.8 -79.3 154.7 41.9 -46.5 37.5 112 116 A S > - 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0 0 132 -17,-2.0 8,-0.1 -2,-0.4 2,-0.1 -0.947 57.6 -79.7-143.4 157.9 57.9 -18.5 49.7 161 165 A V + 0 0 100 -2,-0.3 48,-0.3 2,-0.0 2,-0.3 -0.367 59.5 149.6 -63.4 135.7 56.5 -15.0 49.9 162 166 A S - 0 0 11 -18,-0.4 3,-0.2 1,-0.1 44,-0.1 -0.919 53.4-133.6-166.1 139.0 54.6 -14.0 46.8 163 167 A G S S+ 0 0 10 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.925 103.4 19.0 -58.9 -41.5 51.7 -11.8 45.8 164 168 A S >> - 0 0 0 1,-0.1 4,-0.8 -3,-0.1 3,-0.8 -0.995 64.5-144.8-133.3 132.4 50.5 -14.7 43.7 165 169 A C H >> S+ 0 0 0 -2,-0.4 4,-2.2 1,-0.2 3,-0.5 0.853 101.8 69.8 -57.2 -33.9 51.4 -18.4 43.7 166 170 A S H 3> S+ 0 0 1 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.850 92.7 57.0 -57.5 -34.1 51.1 -18.2 40.0 167 171 A S H <> S+ 0 0 0 -3,-0.8 4,-2.5 1,-0.2 -1,-0.3 0.896 107.8 46.5 -60.2 -46.6 54.3 -16.1 39.9 168 172 A L H S+ 0 0 9 -4,-3.0 5,-2.9 -5,-0.2 6,-0.3 0.900 106.1 47.5 -53.3 -45.2 60.2 -20.6 32.9 175 179 A E H ><5S+ 0 0 92 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.935 112.1 48.7 -63.2 -48.3 63.8 -21.5 34.0 176 180 A K H 3<5S+ 0 0 70 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.780 115.1 45.8 -62.3 -29.8 63.3 -25.3 33.2 177 181 A L T ><5S- 0 0 3 -4,-2.0 3,-1.5 -5,-0.1 -1,-0.3 0.235 111.0-121.3 -97.1 9.8 61.9 -24.4 29.8 178 182 A Q T < 5 - 0 0 121 -3,-1.5 -3,-0.2 1,-0.3 3,-0.2 0.858 69.4 -58.4 48.7 41.1 64.7 -21.8 29.1 179 183 A G T 3 - 0 0 27 -3,-1.5 4,-2.3 -6,-0.3 -1,-0.2 -0.037 4.9-155.0 -40.8 111.6 60.2 -20.7 25.8 181 185 A R H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.819 90.1 55.7 -69.5 -32.2 58.3 -17.9 24.2 182 186 A E H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.931 109.3 47.5 -64.3 -43.0 55.6 -20.1 22.8 183 187 A V H > S+ 0 0 4 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.950 111.2 51.4 -63.0 -47.8 54.8 -21.4 26.3 184 188 A V H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 3,-0.4 0.932 110.8 47.8 -55.1 -48.5 54.8 -17.9 27.7 185 189 A M H < S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.908 111.3 52.1 -56.9 -43.7 52.4 -16.7 25.1 186 190 A N H < S+ 0 0 27 -4,-2.2 -182,-0.3 1,-0.2 -1,-0.2 0.771 121.2 28.9 -67.4 -28.4 50.1 -19.8 25.7 187 191 A I H X S+ 0 0 2 -4,-1.7 4,-2.8 -3,-0.4 3,-0.4 0.575 92.6 94.9-108.1 -11.2 49.9 -19.3 29.5 188 192 A A H X S+ 0 0 0 -4,-1.9 4,-3.3 -5,-0.3 5,-0.3 0.821 82.6 51.2 -60.3 -40.5 50.2 -15.6 29.9 189 193 A P H > S+ 0 0 43 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.906 116.1 42.3 -62.0 -39.5 46.5 -14.6 30.0 190 194 A L H > S+ 0 0 2 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.949 118.0 46.2 -70.8 -46.5 45.8 -17.2 32.7 191 195 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.920 113.3 48.5 -59.9 -48.1 49.0 -16.4 34.6 192 196 A M H X S+ 0 0 16 -4,-3.3 4,-2.7 -5,-0.2 5,-0.4 0.837 103.6 62.0 -65.1 -33.7 48.3 -12.6 34.4 193 197 A G H X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.942 111.5 38.8 -54.6 -47.8 44.7 -13.2 35.5 194 198 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 -158,-0.2 -2,-0.2 0.952 118.1 46.8 -67.8 -51.8 46.0 -14.6 38.8 195 199 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 7,-0.4 0.930 115.0 45.7 -61.7 -44.8 49.0 -12.2 39.3 196 200 A L H <>S+ 0 0 3 -4,-2.7 5,-3.0 2,-0.2 4,-0.3 0.896 115.3 45.1 -71.0 -36.9 47.0 -9.0 38.5 197 201 A I H ><5S+ 0 0 5 -4,-1.6 3,-1.0 -5,-0.4 -1,-0.2 0.934 114.2 50.4 -71.9 -38.0 44.0 -9.9 40.7 198 202 A D H 3<5S+ 0 0 34 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.808 119.6 35.1 -67.7 -29.9 46.2 -11.0 43.6 199 203 A T T 3X>S- 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 5,-2.1 0.183 109.5-114.5-108.8 12.8 48.3 -7.8 43.5 200 204 A S T <45S- 0 0 19 -3,-1.0 -3,-0.2 -4,-0.3 3,-0.2 0.946 88.1 -37.8 47.1 56.7 45.5 -5.4 42.6 201 205 A N T 4 - 0 0 51 -2,-0.2 4,-2.1 -43,-0.1 3,-0.3 -0.775 47.5 -95.5-121.6 172.3 57.2 -9.4 45.7 208 212 A E H > S+ 0 0 63 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.838 122.5 59.5 -57.7 -36.5 60.2 -10.0 43.6 209 213 A S H > S+ 0 0 18 -48,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.929 107.3 45.1 -56.4 -48.7 58.6 -13.2 42.2 210 214 A D H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.912 111.6 51.9 -64.1 -43.8 55.6 -11.2 40.8 211 215 A K H X S+ 0 0 19 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.893 112.4 46.3 -60.7 -40.6 57.9 -8.5 39.3 212 216 A L H X S+ 0 0 17 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.902 111.5 50.6 -70.7 -42.6 60.0 -11.1 37.5 213 217 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.920 113.0 46.3 -60.3 -43.6 57.0 -13.0 36.2 214 218 A I H X S+ 0 0 19 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.906 110.5 53.4 -65.0 -42.4 55.5 -9.8 34.8 215 219 A E H X S+ 0 0 10 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.894 109.4 48.7 -59.1 -43.4 58.8 -8.7 33.3 216 220 A R H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.892 111.7 48.4 -65.4 -42.3 59.1 -12.1 31.4 217 221 A C H X S+ 0 0 1 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.923 111.0 50.8 -63.2 -45.1 55.5 -11.8 30.1 218 222 A Q H X S+ 0 0 32 -4,-2.5 4,-1.8 1,-0.2 5,-0.3 0.908 107.9 53.2 -59.0 -44.5 56.1 -8.2 28.9 219 223 A A H X S+ 0 0 45 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.871 115.7 39.6 -60.5 -39.1 59.3 -9.2 27.1 220 224 A V H < S+ 0 0 9 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.918 114.9 50.1 -76.1 -45.6 57.5 -12.0 25.2 221 225 A L H < S+ 0 0 99 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.721 115.3 44.9 -70.7 -20.6 54.2 -10.1 24.5 222 226 A S H < S- 0 0 47 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.806 89.1-177.9 -87.9 -35.4 56.1 -7.1 23.2 223 227 A G < - 0 0 26 -4,-1.2 2,-0.7 -5,-0.3 -1,-0.1 -0.129 54.3 -11.5 63.7-166.1 58.6 -9.1 21.0 224 228 A A S S+ 0 0 115 -4,-0.1 2,-0.3 2,-0.0 -1,-0.0 -0.546 83.4 155.1 -65.1 107.1 61.3 -7.3 19.1 225 229 A V - 0 0 72 -2,-0.7 3,-0.1 1,-0.1 -2,-0.1 -0.981 45.5-143.9-134.2 150.9 60.5 -3.6 19.2 226 230 A N S S+ 0 0 132 -2,-0.3 2,-0.3 1,-0.2 350,-0.1 0.863 92.0 22.1 -74.0 -39.3 62.5 -0.3 18.9 227 231 A E S S- 0 0 70 348,-0.0 2,-0.7 349,-0.0 -1,-0.2 -0.977 76.5-128.0-135.1 139.2 60.5 1.5 21.5 228 232 A V - 0 0 11 -2,-0.3 2,-0.1 -3,-0.1 383,-0.1 -0.831 31.3-160.2 -91.5 114.5 58.2 0.3 24.3 229 233 A S - 0 0 67 -2,-0.7 3,-0.4 1,-0.1 4,-0.3 -0.338 29.7-110.6 -86.0 173.9 54.8 1.9 24.0 230 234 A A S > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.502 95.5 94.0 -79.9 -6.1 52.1 2.3 26.7 231 235 A Q H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.855 78.6 52.9 -59.0 -44.9 49.8 -0.2 24.9 232 236 A G H > S+ 0 0 35 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.928 113.3 42.8 -59.9 -47.0 50.9 -3.3 26.8 233 237 A L H > S+ 0 0 14 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.845 113.0 53.6 -68.5 -33.8 50.3 -1.8 30.2 234 238 A E H X S+ 0 0 94 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.915 109.1 48.9 -64.6 -42.7 47.0 -0.2 29.0 235 239 A D H X S+ 0 0 90 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.889 110.0 51.3 -65.1 -39.4 45.9 -3.7 27.8 236 240 A S H X S+ 0 0 20 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.910 109.4 51.7 -63.5 -42.2 46.8 -5.2 31.2 237 241 A S H X S+ 0 0 28 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.909 109.9 47.3 -57.7 -46.6 44.8 -2.4 32.9 238 242 A E H X S+ 0 0 102 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.909 113.1 50.0 -64.3 -38.3 41.7 -3.2 30.8 239 243 A F H X S+ 0 0 33 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.934 110.2 50.4 -65.3 -45.8 42.1 -6.9 31.5 240 244 A Y H X S+ 0 0 34 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.919 108.4 51.9 -57.9 -46.7 42.4 -6.2 35.3 241 245 A K H X S+ 0 0 104 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.890 109.6 50.5 -59.3 -41.5 39.3 -4.1 35.3 242 246 A E H X S+ 0 0 75 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.916 116.0 40.4 -62.1 -47.2 37.4 -6.9 33.6 243 247 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.930 115.8 50.3 -70.6 -43.0 38.5 -9.6 36.0 244 248 A K H X S+ 0 0 54 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.885 108.9 51.0 -62.0 -43.0 38.2 -7.3 39.1 245 249 A S H < S+ 0 0 62 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.873 112.7 47.6 -62.5 -36.5 34.6 -6.2 38.3 246 250 A R H >< S+ 0 0 76 -4,-1.3 3,-1.2 2,-0.2 -164,-0.4 0.875 109.7 50.7 -75.2 -38.1 33.6 -9.8 37.9 247 251 A K H 3< S+ 0 0 51 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.893 111.4 51.0 -62.7 -37.1 35.3 -10.9 41.1 248 252 A N T 3< S+ 0 0 63 -4,-2.2 2,-0.8 -5,-0.2 -1,-0.3 0.438 91.4 95.4 -77.0 -2.0 33.3 -8.1 42.8 249 253 A D < + 0 0 66 -3,-1.2 -167,-0.3 1,-0.1 -1,-0.1 -0.807 28.7 144.2-103.3 99.9 30.0 -9.2 41.2 250 254 A I > + 0 0 5 -2,-0.8 3,-1.7 -169,-0.1 -1,-0.1 0.123 27.7 137.8-115.2 17.2 27.9 -11.5 43.5 251 255 A K T 3 S+ 0 0 126 1,-0.2 3,-0.1 0, 0.0 -2,-0.0 -0.426 72.2 20.0 -62.5 135.1 24.5 -10.1 42.4 252 256 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.320 95.0 123.0 85.2 -8.8 22.0 -12.9 41.9 253 257 A F < - 0 0 15 -3,-1.7 -1,-0.3 1,-0.1 2,-0.1 -0.541 62.0-119.1 -81.4 153.0 23.9 -15.4 44.1 254 258 A S > - 0 0 50 -2,-0.2 4,-2.4 -3,-0.1 5,-0.2 -0.395 28.0-107.7 -76.7 164.0 22.3 -17.0 47.2 255 259 A V H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.948 124.3 53.5 -57.0 -46.6 23.7 -16.5 50.7 256 260 A S H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 108.7 49.2 -53.5 -48.4 24.9 -20.1 50.5 257 261 A D H > S+ 0 0 37 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.913 111.6 48.7 -54.4 -49.2 26.7 -19.4 47.2 258 262 A I H < S+ 0 0 2 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.905 113.6 46.7 -63.1 -43.4 28.3 -16.3 48.7 259 263 A L H < S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.846 118.6 40.5 -66.3 -35.5 29.5 -18.1 51.8 260 264 A K H >< S+ 0 0 54 -4,-2.3 3,-0.6 -5,-0.2 -1,-0.2 0.590 95.5 78.5 -91.1 -12.2 30.8 -21.1 49.9 261 265 A K T 3< S+ 0 0 21 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.703 112.3 16.7 -77.3 -20.9 32.5 -19.4 46.9 262 266 A D T 3 S+ 0 0 31 -4,-0.4 20,-2.6 -3,-0.3 2,-0.3 -0.511 96.8 142.8-146.8 74.3 35.7 -18.3 48.7 263 267 A Y E < -F 281 0B 7 -3,-0.6 2,-0.3 -231,-0.2 18,-0.2 -0.894 28.7-174.1-129.7 140.6 35.7 -20.4 51.8 264 268 A K E -F 280 0B 29 16,-2.0 16,-2.9 -2,-0.3 2,-0.3 -0.995 9.5-156.6-135.7 144.5 38.2 -22.2 54.0 265 269 A Q E +F 279 0B 52 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.903 13.6 175.7-123.9 144.3 37.7 -24.6 57.0 266 270 A F E -F 278 0B 60 12,-2.6 12,-2.5 -2,-0.3 2,-0.5 -0.948 27.5-139.9-141.7 158.4 40.1 -25.4 59.9 267 271 A N E -F 277 0B 70 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.965 25.8-156.3-120.7 108.9 40.2 -27.4 63.1 268 272 A F E -F 276 0B 6 8,-2.3 8,-1.9 -2,-0.5 2,-0.4 -0.663 9.1-136.3 -83.0 138.5 42.1 -25.4 65.8 269 273 A Q + 0 0 107 -2,-0.3 2,-0.1 6,-0.2 6,-0.1 -0.805 31.4 165.0 -95.0 138.1 43.8 -27.4 68.6 270 274 A G - 0 0 26 2,-0.8 119,-0.2 -2,-0.4 122,-0.1 -0.268 57.2 -66.2-123.0-148.4 43.4 -26.0 72.2 271 275 A K S S+ 0 0 129 120,-0.5 2,-0.2 117,-0.4 122,-0.1 0.684 115.2 71.6 -84.5 -24.0 43.9 -27.2 75.7 272 276 A G S S- 0 0 8 2,-0.3 -2,-0.8 1,-0.1 121,-0.0 -0.643 90.0-124.7 -85.1 152.2 41.0 -29.7 75.3 273 277 A H S S+ 0 0 194 -2,-0.2 2,-0.4 -4,-0.1 -1,-0.1 0.695 94.3 85.1 -72.6 -17.3 41.6 -32.7 73.1 274 278 A K S S- 0 0 179 1,-0.1 -4,-0.3 -5,-0.0 -2,-0.3 -0.718 76.1-145.9 -80.2 131.5 38.5 -31.6 71.2 275 279 A G - 0 0 11 -2,-0.4 2,-0.6 -6,-0.1 -6,-0.2 -0.191 15.2-105.1 -87.8-177.8 39.3 -29.0 68.5 276 280 A L E -F 268 0B 5 -8,-1.9 -8,-2.3 -2,-0.0 2,-0.7 -0.971 23.5-148.9-112.5 115.7 37.3 -26.1 67.2 277 281 A E E +F 267 0B 44 -2,-0.6 37,-2.0 -10,-0.2 38,-1.8 -0.802 29.3 173.2 -83.4 116.3 35.8 -26.5 63.8 278 282 A I E -Fg 266 315B 0 -12,-2.5 -12,-2.6 -2,-0.7 2,-0.4 -0.986 18.7-163.5-134.7 132.4 35.8 -23.1 62.2 279 283 A G E -Fg 265 316B 0 36,-2.2 38,-2.5 -2,-0.4 2,-0.4 -0.914 4.4-160.9-114.5 144.9 34.9 -21.9 58.7 280 284 A L E -Fg 264 317B 0 -16,-2.9 -16,-2.0 -2,-0.4 2,-0.5 -0.983 0.9-165.0-132.7 120.1 35.8 -18.5 57.2 281 285 A S E -Fg 263 318B 0 36,-2.4 38,-2.7 -2,-0.4 2,-0.5 -0.895 9.7-151.2-102.5 128.8 34.1 -17.0 54.2 282 286 A S E - 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