==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-NOV-03 1RMT . COMPND 2 MOLECULE: CLASS B ACID PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.CALDERONE,C.FORLEO,M.BENVENUTI,G.M.ROSSOLINI,M.C.THALLER,S . 838 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 528 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 113 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 41 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 3.3 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 0 4 2 6 7 2 3 4 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 9 3 12 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 0 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 0 3 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 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 P 0 0 192 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.6 20.4 17.2 -21.1 2 4 A S - 0 0 88 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.998 360.0-103.7-151.0 143.7 21.0 15.0 -24.1 3 5 A P - 0 0 88 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.264 41.7-111.0 -54.5 154.7 20.2 14.8 -27.7 4 6 A L S S+ 0 0 65 1,-0.3 650,-0.2 2,-0.1 653,-0.1 0.894 114.9 23.6 -56.5 -45.8 17.4 12.4 -28.6 5 7 A N S S+ 0 0 124 1,-0.1 -1,-0.3 652,-0.0 0, 0.0 -0.795 74.3 171.6-123.4 84.8 19.9 10.0 -30.3 6 8 A P - 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.779 20.3-167.5 -68.5 -27.8 23.3 10.8 -28.7 7 9 A G - 0 0 57 -4,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.140 3.7-143.5 64.4-171.3 25.2 7.9 -30.3 8 10 A T - 0 0 76 4,-0.0 2,-0.3 5,-0.0 3,-0.0 -0.941 1.0-127.3-167.2-173.0 28.7 7.0 -29.1 9 11 A N > - 0 0 81 -2,-0.3 4,-2.3 1,-0.0 5,-0.1 -0.951 31.5-104.6-149.7 168.3 32.1 5.7 -30.3 10 12 A V H > S+ 0 0 98 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.725 116.1 60.4 -77.1 -21.0 34.4 2.9 -29.4 11 13 A A H > S+ 0 0 71 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.971 111.3 42.1 -62.4 -47.1 36.9 5.1 -27.6 12 14 A R H >4 S+ 0 0 136 1,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.884 111.8 55.1 -62.3 -42.3 34.0 6.1 -25.2 13 15 A L H 3< S+ 0 0 58 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.871 116.1 36.3 -60.1 -40.1 32.8 2.6 -25.0 14 16 A A H 3< S+ 0 0 18 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.469 88.6 128.6 -91.3 -4.2 36.2 1.2 -23.9 15 17 A E << - 0 0 139 -4,-0.8 2,-0.4 -3,-0.6 -3,-0.0 -0.310 38.6-167.3 -62.6 132.0 37.1 4.3 -21.8 16 18 A Q - 0 0 111 -2,-0.0 -2,-0.1 2,-0.0 -1,-0.0 -0.963 20.6-126.7-119.2 136.4 38.1 3.4 -18.2 17 19 A A - 0 0 63 -2,-0.4 2,-1.7 1,-0.1 0, 0.0 -0.560 37.3-107.7 -69.2 143.0 38.6 5.8 -15.3 18 20 A P + 0 0 135 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.550 65.7 147.1 -79.6 85.9 42.0 5.5 -13.7 19 21 A I - 0 0 46 -2,-1.7 2,-1.4 185,-0.0 184,-0.1 -0.946 55.0-123.5-125.7 139.3 41.0 3.7 -10.5 20 22 A H E -a 203 0A 111 182,-0.5 184,-2.2 -2,-0.4 2,-0.3 -0.696 37.6-170.0 -83.9 90.8 42.8 1.1 -8.4 21 23 A W E +a 204 0A 102 -2,-1.4 2,-0.3 182,-0.2 184,-0.2 -0.623 6.6 179.6 -81.3 143.2 40.2 -1.7 -8.4 22 24 A V E -a 205 0A 5 182,-2.5 184,-2.6 -2,-0.3 2,-0.2 -0.958 18.6-137.4-136.8 159.8 40.6 -4.6 -6.1 23 25 A S > - 0 0 29 -2,-0.3 4,-2.1 182,-0.2 5,-0.2 -0.700 32.0-109.7-107.5 167.7 38.8 -7.9 -5.2 24 26 A V H > S+ 0 0 15 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.919 121.6 54.0 -59.0 -42.2 38.2 -9.4 -1.8 25 27 A A H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 107.4 49.7 -61.1 -39.2 40.7 -12.1 -2.8 26 28 A Q H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 110.0 49.9 -67.7 -39.9 43.3 -9.6 -3.7 27 29 A I H X S+ 0 0 0 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.946 112.1 48.7 -62.7 -45.8 42.9 -7.8 -0.3 28 30 A E H >< S+ 0 0 58 -4,-2.6 3,-0.6 1,-0.2 4,-0.3 0.902 111.1 49.6 -59.1 -43.2 43.2 -11.2 1.4 29 31 A N H >< S+ 0 0 101 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.894 106.1 57.2 -64.4 -36.0 46.3 -12.0 -0.6 30 32 A S H 3< S+ 0 0 52 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.736 110.4 44.2 -67.0 -23.4 47.8 -8.6 0.4 31 33 A L T X< S+ 0 0 6 -4,-1.0 3,-2.4 -3,-0.6 -1,-0.3 0.363 82.1 139.6 -99.1 3.9 47.3 -9.4 4.1 32 34 A A T < S+ 0 0 73 -3,-1.4 -3,-0.1 1,-0.3 70,-0.0 -0.226 73.5 13.7 -58.6 127.9 48.7 -13.0 3.8 33 35 A G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 0, 0.0 -4,-0.1 0.244 94.0 125.6 93.0 -13.0 50.9 -13.8 6.7 34 36 A R < - 0 0 141 -3,-2.4 -1,-0.3 1,-0.1 3,-0.1 -0.642 60.2-124.5 -80.3 131.0 49.8 -10.9 8.8 35 37 A P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 68,-0.1 -0.146 49.2 -57.7 -67.3 167.4 48.5 -11.9 12.2 36 38 A P + 0 0 90 0, 0.0 2,-0.3 0, 0.0 68,-0.1 -0.139 65.9 169.2 -48.6 137.5 45.1 -10.9 13.5 37 39 A M - 0 0 27 -3,-0.1 68,-2.1 68,-0.0 2,-0.4 -0.873 37.6 -89.4-143.1 169.9 44.4 -7.2 13.6 38 40 A A E +bc 105 159A 14 120,-0.6 122,-2.7 -2,-0.3 123,-0.5 -0.789 41.6 178.5 -89.2 137.8 41.5 -4.8 14.0 39 41 A V E -bc 106 161A 0 66,-2.6 68,-2.2 -2,-0.4 2,-0.3 -0.914 10.4-151.2-132.6 156.2 39.5 -3.7 11.0 40 42 A G E -bc 107 162A 0 121,-2.5 123,-2.3 -2,-0.3 2,-0.4 -0.946 6.0-160.7-135.0 152.5 36.5 -1.5 10.7 41 43 A F E -bc 108 163A 0 66,-2.2 68,-2.1 -2,-0.3 123,-0.2 -0.999 18.1-133.9-129.3 135.0 33.4 -0.9 8.6 42 44 A D - 0 0 14 121,-2.8 68,-0.2 -2,-0.4 5,-0.2 -0.412 23.9-144.7 -61.1 157.7 31.0 1.9 8.0 43 45 A I >>> + 0 0 1 66,-0.4 4,-2.5 3,-0.2 5,-2.3 0.926 69.0 72.9 -94.1 -62.8 27.4 0.7 8.1 44 46 A D B 345S-f 48 0B 26 1,-0.3 121,-0.3 2,-0.2 5,-0.2 -0.389 121.3 -9.8 -74.9 124.5 25.2 2.6 5.7 45 47 A D T 345S+ 0 0 3 3,-3.1 -1,-0.3 -2,-0.2 4,-0.2 0.514 130.0 73.4 64.9 11.7 25.8 1.7 2.0 46 48 A T T <45S- 0 0 0 -3,-1.8 -2,-0.2 2,-0.4 46,-0.2 0.745 123.6 -8.3-111.3 -54.7 28.9 -0.2 3.1 47 49 A V T <5S+ 0 0 0 -4,-2.5 42,-2.8 1,-0.3 2,-0.4 0.645 135.0 44.7-116.0 -27.5 27.4 -3.3 4.8 48 50 A L E < -fG 44 88B 2 -5,-2.3 -3,-3.1 40,-0.2 2,-1.4 -0.975 64.6-144.6-121.4 133.0 23.7 -2.4 4.8 49 51 A F E + G 0 87B 2 38,-2.7 38,-2.2 -2,-0.4 -5,-0.1 -0.783 37.4 164.8 -84.4 90.6 21.5 -0.9 2.1 50 52 A S >> + 0 0 2 -2,-1.4 4,-1.8 36,-0.2 3,-0.8 0.336 36.2 109.2 -97.7 4.8 19.5 1.0 4.7 51 53 A S H 3> + 0 0 3 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.783 66.8 70.1 -50.7 -31.2 17.9 3.5 2.3 52 54 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.949 106.7 37.9 -53.9 -49.2 14.5 1.7 2.9 53 55 A G H <> S+ 0 0 0 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.870 116.7 50.5 -67.7 -42.0 14.4 3.1 6.4 54 56 A F H X S+ 0 0 23 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.908 111.9 49.5 -62.9 -37.5 15.9 6.5 5.5 55 57 A W H X S+ 0 0 40 -4,-3.3 4,-2.3 2,-0.2 5,-0.2 0.902 111.2 47.5 -66.5 -44.3 13.4 6.8 2.7 56 58 A R H X S+ 0 0 41 -4,-2.1 4,-2.1 -5,-0.3 5,-0.2 0.910 111.5 53.3 -63.4 -37.8 10.5 5.9 5.1 57 59 A G H X>S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.5 0.903 108.9 48.0 -64.0 -42.5 12.0 8.4 7.5 58 60 A K H X5S+ 0 0 50 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.955 114.0 44.9 -65.5 -49.3 12.1 11.2 4.9 59 61 A K H <5S+ 0 0 42 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.854 119.6 43.8 -58.4 -37.8 8.5 10.7 3.7 60 62 A T H <5S+ 0 0 46 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.937 128.4 20.0 -77.1 -48.4 7.2 10.4 7.2 61 63 A F H <5S+ 0 0 55 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.697 137.0 11.3-103.8 -24.7 9.0 13.2 9.0 62 64 A S ><< + 0 0 5 -4,-2.0 3,-1.4 -5,-0.5 6,-0.2 -0.340 52.5 162.4-156.9 69.9 10.1 15.7 6.3 63 65 A P T 3 S+ 0 0 77 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.849 92.1 35.4 -49.6 -37.2 8.7 15.2 2.8 64 66 A E T 3 S+ 0 0 187 -6,-0.1 2,-0.3 -5,-0.1 -5,-0.1 -0.013 124.2 27.9-114.6 26.2 9.8 18.8 2.1 65 67 A S S < S- 0 0 44 -3,-1.4 3,-0.3 -7,-0.2 -3,-0.1 -0.966 75.3-110.4-164.8 178.7 13.1 19.1 4.1 66 68 A E S > S+ 0 0 119 -2,-0.3 3,-1.4 1,-0.2 4,-0.1 0.192 80.1 112.7-103.3 17.9 16.0 17.2 5.6 67 69 A D G > + 0 0 93 1,-0.3 3,-2.4 2,-0.2 4,-0.2 0.714 56.9 78.2 -62.1 -22.4 14.8 17.7 9.1 68 70 A Y G > S+ 0 0 19 -3,-0.3 3,-1.9 1,-0.3 -1,-0.3 0.865 83.4 65.2 -59.2 -32.4 14.1 13.9 9.4 69 71 A L G < S+ 0 0 67 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.559 107.8 40.6 -67.2 -7.1 17.8 13.4 10.0 70 72 A K G < S+ 0 0 165 -3,-2.4 -1,-0.3 -4,-0.1 -2,-0.2 0.217 89.1 115.4-114.9 8.2 17.5 15.4 13.2 71 73 A N <> - 0 0 41 -3,-1.9 4,-1.9 -4,-0.2 5,-0.2 -0.698 55.5-153.7 -87.8 121.7 14.2 13.9 14.2 72 74 A P H > S+ 0 0 77 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.789 94.0 53.8 -68.1 -28.3 14.4 11.8 17.5 73 75 A V H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.895 106.4 53.6 -69.8 -43.2 11.5 9.5 16.6 74 76 A F H > S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.961 110.4 46.3 -51.2 -53.7 13.1 8.7 13.3 75 77 A W H X S+ 0 0 19 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.874 108.7 55.1 -64.0 -35.8 16.4 7.7 15.0 76 78 A E H X S+ 0 0 17 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.2 0.960 116.2 38.6 -56.5 -47.2 14.6 5.6 17.7 77 79 A K H <>S+ 0 0 25 -4,-2.3 5,-2.2 1,-0.2 3,-0.5 0.900 115.0 51.9 -73.1 -41.7 12.9 3.6 14.9 78 80 A M H <5S+ 0 0 0 -4,-3.3 5,-0.5 -5,-0.2 3,-0.3 0.836 116.5 39.5 -64.5 -35.0 15.9 3.5 12.5 79 81 A N H <5S+ 0 0 0 -4,-2.1 40,-2.8 -5,-0.2 41,-0.6 0.510 117.2 48.5 -94.7 -3.9 18.2 2.1 15.3 80 82 A N T <5S- 0 0 41 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.064 134.4 -29.4-129.4 23.4 15.7 -0.3 16.9 81 83 A G T > 5S+ 0 0 22 -3,-0.3 3,-2.0 -4,-0.3 4,-0.2 0.294 101.2 98.0 158.8 -19.2 14.2 -2.2 14.1 82 84 A W G > S+ 0 0 3 -5,-0.5 3,-1.1 1,-0.3 -1,-0.3 0.587 73.4 81.4 -71.1 -5.2 17.1 -2.3 9.7 84 86 A E G < S+ 0 0 56 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.729 97.6 45.2 -59.7 -20.7 15.0 -5.5 9.4 85 87 A F G < S+ 0 0 16 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.2 0.327 91.7 105.0-105.1 2.9 14.2 -3.9 6.1 86 88 A S S < S- 0 0 2 -3,-1.1 -36,-0.2 -34,-0.1 -3,-0.0 -0.661 70.6-130.4 -82.1 144.5 17.8 -3.1 5.3 87 89 A I E -G 49 0B 10 -38,-2.2 -38,-2.7 -2,-0.3 -36,-0.1 -0.851 17.5-128.4-102.6 115.4 19.4 -5.3 2.6 88 90 A P E -G 48 0B 10 0, 0.0 2,-0.4 0, 0.0 -40,-0.2 -0.353 26.4-119.0 -60.2 140.2 22.8 -6.8 3.6 89 91 A K > - 0 0 4 -42,-2.8 4,-2.0 121,-0.1 3,-0.4 -0.656 5.3-141.8 -84.7 132.0 25.5 -6.2 0.9 90 92 A E H > S+ 0 0 76 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.872 103.4 58.2 -56.6 -37.8 27.1 -9.2 -0.7 91 93 A V H > S+ 0 0 9 119,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.891 106.8 48.7 -61.0 -37.4 30.5 -7.4 -0.7 92 94 A A H > S+ 0 0 0 -3,-0.4 4,-2.9 2,-0.2 5,-0.3 0.884 106.9 55.1 -72.5 -37.1 30.2 -7.1 3.0 93 95 A R H X S+ 0 0 49 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.946 112.8 43.5 -55.0 -45.8 29.3 -10.8 3.4 94 96 A Q H X S+ 0 0 93 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.930 116.0 46.6 -72.2 -40.1 32.5 -11.6 1.5 95 97 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.923 114.5 46.2 -65.2 -45.2 34.7 -9.1 3.4 96 98 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.938 112.7 50.6 -67.2 -42.4 33.4 -10.1 6.8 97 99 A D H X S+ 0 0 70 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.920 111.6 49.4 -58.2 -43.1 33.8 -13.8 6.0 98 100 A M H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.913 111.6 47.2 -64.3 -43.5 37.4 -13.0 4.9 99 101 A H H X>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.5 0.875 110.6 52.0 -71.6 -31.1 38.3 -11.1 8.1 100 102 A V H ><5S+ 0 0 42 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.899 106.9 54.3 -67.2 -38.3 36.8 -13.8 10.2 101 103 A R H 3<5S+ 0 0 153 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.874 109.0 48.6 -58.9 -36.5 39.0 -16.3 8.3 102 104 A R H 3<5S- 0 0 36 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.559 114.2-119.8 -78.5 -12.7 42.0 -14.1 9.2 103 105 A G T <<5 + 0 0 38 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.660 57.5 160.0 75.8 20.2 40.9 -14.0 12.9 104 106 A D < - 0 0 1 -5,-2.4 2,-0.4 -6,-0.2 -66,-0.2 -0.317 45.6-113.7 -72.8 153.7 40.6 -10.2 12.8 105 107 A A E -b 38 0A 30 -68,-2.1 -66,-2.6 -2,-0.0 2,-0.5 -0.780 34.0-145.8 -81.5 134.8 38.6 -8.1 15.2 106 108 A I E -b 39 0A 0 28,-3.1 30,-0.4 -2,-0.4 2,-0.3 -0.922 17.4-176.5-114.0 125.6 35.7 -6.5 13.4 107 109 A F E -b 40 0A 16 -68,-2.2 -66,-2.2 -2,-0.5 2,-0.5 -0.890 14.7-155.1-118.2 145.4 34.3 -3.0 14.3 108 110 A F E -b 41 0A 0 -2,-0.3 31,-2.9 29,-0.2 2,-0.5 -0.990 13.8-172.4-114.9 125.7 31.4 -1.1 12.9 109 111 A V E -h 139 0C 1 -68,-2.1 -66,-0.4 -2,-0.5 2,-0.3 -0.987 9.3-178.5-125.2 122.1 31.7 2.7 13.2 110 112 A T E -h 140 0C 3 29,-3.2 31,-2.6 -2,-0.5 -68,-0.0 -0.902 34.5-152.3-126.5 146.8 28.6 4.8 12.3 111 113 A G + 0 0 61 -2,-0.3 29,-0.1 29,-0.2 -1,-0.1 0.257 58.2 127.5 -94.7 8.3 27.7 8.5 12.2 112 114 A R S S- 0 0 5 1,-0.1 -2,-0.1 30,-0.0 -43,-0.0 -0.339 76.6 -92.7 -57.3 149.3 24.0 7.7 12.8 113 115 A S - 0 0 35 -44,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.446 49.4-109.8 -67.7 139.4 22.7 9.7 15.6 114 116 A P - 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0 0 112 -3,-1.5 -120,-0.6 -4,-0.2 2,-0.4 0.885 40.0-174.5 45.9 47.2 44.1 0.4 16.3 159 161 A I E < -c 38 0A 6 -5,-2.6 -120,-0.2 -6,-0.2 -1,-0.2 -0.603 13.0-176.1 -74.3 128.3 42.0 -0.1 13.3 160 162 A R E + 0 0 121 -122,-2.7 19,-2.7 -2,-0.4 2,-0.4 0.635 68.7 33.6-103.5 -25.0 44.3 -0.8 10.3 161 163 A I E -cd 39 179A 3 -123,-0.5 -121,-2.5 17,-0.2 2,-0.4 -0.993 65.0-170.4-132.5 130.4 41.8 -1.1 7.5 162 164 A F E -cd 40 180A 0 17,-2.3 19,-2.4 -2,-0.4 2,-0.4 -0.996 7.0-158.8-124.3 125.9 38.5 0.9 7.3 163 165 A Y E +cd 41 181A 0 -123,-2.3 -121,-2.8 -2,-0.4 2,-0.3 -0.862 28.0 137.6-102.1 132.8 35.9 0.1 4.6 164 166 A G E - d 0 182A 0 17,-2.0 19,-1.9 -2,-0.4 -119,-0.1 -0.993 50.4-134.1-166.0 169.0 33.3 2.7 3.6 165 167 A D S S+ 0 0 2 -121,-0.3 20,-0.3 -2,-0.3 2,-0.2 0.669 79.2 78.1 -99.5 -22.6 31.4 4.3 0.8 166 168 A S S >> S- 0 0 12 1,-0.1 4,-1.4 18,-0.1 3,-0.9 -0.551 81.6-120.1 -96.2 155.5 31.7 8.0 1.7 167 169 A D H 3> S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.913 114.2 58.3 -54.2 -40.9 34.6 10.4 1.2 168 170 A N H 3> S+ 0 0 83 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.717 100.3 56.9 -68.5 -22.3 34.7 11.0 5.0 169 171 A D H <> S+ 0 0 1 -3,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.917 110.1 44.3 -67.3 -45.2 35.3 7.2 5.6 170 172 A I H X S+ 0 0 7 -4,-1.4 4,-2.6 -3,-0.3 -2,-0.2 0.902 115.1 46.3 -67.8 -43.4 38.4 7.3 3.4 171 173 A T H X S+ 0 0 31 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.840 107.3 57.7 -74.2 -28.2 39.8 10.5 4.8 172 174 A A H X S+ 0 0 4 -4,-1.5 4,-0.9 -5,-0.2 6,-0.2 0.957 110.6 45.0 -59.9 -46.1 39.2 9.3 8.4 173 175 A A H ><>S+ 0 0 0 -4,-1.7 5,-2.5 1,-0.2 3,-1.0 0.950 113.4 49.4 -60.4 -48.8 41.3 6.3 7.5 174 176 A R H ><5S+ 0 0 146 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.850 104.2 60.4 -59.4 -34.7 44.0 8.5 5.9 175 177 A D H 3<5S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.735 113.4 35.4 -66.9 -27.2 44.1 10.8 8.9 176 178 A V T <<5S- 0 0 42 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.288 118.0-106.3-107.7 4.7 45.2 8.0 11.2 177 179 A G T < 5S+ 0 0 70 -3,-0.9 -3,-0.2 -4,-0.5 2,-0.1 0.675 72.8 141.3 75.1 17.6 47.3 6.2 8.7 178 180 A A < - 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