==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-APR-08 3CZ4 . COMPND 2 MOLECULE: CLASS B ACID PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.LEONE,E.CAPPELLETTI,M.BENVENUTI,G.LENTINI,M.C.THALLER, . 209 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.4 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 . 1 0.5 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 . 10 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 0 2 2 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A S 0 0 170 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.2 17.5 -11.4 65.7 2 5 A P - 0 0 90 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.360 360.0-129.4 -62.7 146.8 16.3 -13.7 68.6 3 6 A L S S+ 0 0 163 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.880 105.2 27.1 -61.5 -43.0 13.7 -16.4 67.5 4 7 A N S S+ 0 0 144 1,-0.1 -1,-0.3 0, 0.0 0, 0.0 -0.790 71.5 167.8-121.3 86.1 11.3 -15.4 70.3 5 8 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.803 25.5-165.6 -72.9 -29.5 12.0 -11.7 71.1 6 9 A G - 0 0 65 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.121 4.9-130.9 73.1-174.7 8.9 -11.2 73.3 7 10 A T - 0 0 97 4,-0.0 2,-0.3 5,-0.0 3,-0.0 -0.932 6.4-138.6-158.8-178.9 7.6 -7.8 74.3 8 11 A N > - 0 0 82 -2,-0.3 4,-2.2 1,-0.0 3,-0.1 -0.952 31.8-105.3-147.7 168.3 6.4 -5.9 77.4 9 12 A V H > S+ 0 0 117 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.720 115.8 60.1 -75.1 -21.8 3.6 -3.5 78.2 10 13 A A H > S+ 0 0 50 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.947 111.3 42.0 -63.6 -46.7 5.8 -0.5 78.2 11 14 A R H >4 S+ 0 0 137 1,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.900 112.3 54.4 -67.1 -39.3 6.7 -1.2 74.6 12 15 A L H 3< S+ 0 0 121 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.851 116.9 36.5 -62.8 -35.3 3.2 -2.1 73.7 13 16 A A H 3< S+ 0 0 67 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.482 88.2 128.7 -94.2 -6.1 1.8 1.2 75.0 14 17 A E << - 0 0 119 -4,-0.8 2,-0.4 -3,-0.6 -3,-0.1 -0.263 38.2-166.9 -62.7 133.1 4.8 3.4 73.9 15 18 A Q - 0 0 148 2,-0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.969 19.4-129.0-121.2 135.9 4.0 6.5 71.8 16 19 A A - 0 0 61 -2,-0.4 2,-1.8 1,-0.1 0, 0.0 -0.570 38.5-105.1 -71.6 144.8 6.3 8.7 69.8 17 20 A P + 0 0 135 0, 0.0 2,-0.4 0, 0.0 183,-0.1 -0.556 66.7 150.5 -77.0 82.3 5.8 12.4 70.7 18 21 A I - 0 0 43 -2,-1.8 2,-1.3 185,-0.0 184,-0.1 -0.913 52.1-129.0-118.6 139.6 3.9 13.4 67.6 19 22 A H E -a 202 0A 110 182,-0.6 184,-2.4 -2,-0.4 2,-0.3 -0.731 36.5-168.5 -87.0 87.9 1.2 16.1 67.1 20 23 A W E -a 203 0A 102 -2,-1.3 2,-0.3 182,-0.2 184,-0.2 -0.601 7.1-179.0 -78.7 141.5 -1.5 13.9 65.4 21 24 A V E -a 204 0A 4 182,-2.5 184,-2.6 -2,-0.3 2,-0.3 -0.940 18.6-136.1-133.5 160.4 -4.5 15.6 63.8 22 25 A S > - 0 0 33 -2,-0.3 4,-2.2 182,-0.2 5,-0.1 -0.732 30.0-113.3-107.4 162.5 -7.7 14.6 62.0 23 26 A V H > S+ 0 0 21 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.911 120.7 55.2 -55.6 -42.5 -9.2 16.1 58.9 24 27 A A H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.866 107.1 48.6 -59.9 -39.5 -12.1 17.3 61.1 25 28 A Q H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.865 111.0 50.3 -69.1 -39.1 -9.6 19.1 63.4 26 29 A I H X S+ 0 0 0 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.948 111.5 48.4 -62.0 -46.8 -7.9 20.8 60.5 27 30 A E H >< S+ 0 0 67 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.925 111.0 50.6 -60.6 -45.2 -11.3 21.9 59.2 28 31 A N H >< S+ 0 0 126 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.880 104.9 57.4 -56.8 -40.5 -12.3 23.3 62.6 29 32 A S H 3< S+ 0 0 48 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.709 108.7 47.3 -66.1 -20.5 -9.0 25.2 62.8 30 33 A L T X< S+ 0 0 2 -3,-1.0 3,-1.6 -4,-0.9 -1,-0.3 0.290 80.1 140.3-101.4 5.9 -9.9 27.0 59.6 31 34 A A T < S+ 0 0 73 -3,-1.6 -3,-0.1 1,-0.3 -4,-0.0 -0.268 75.6 8.4 -55.5 128.9 -13.5 27.8 60.7 32 35 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.036 93.7 130.7 91.3 -26.8 -14.4 31.3 59.5 33 36 A R < - 0 0 136 -3,-1.6 -1,-0.3 1,-0.1 3,-0.1 -0.421 59.0-119.2 -66.3 129.8 -11.3 31.8 57.3 34 37 A P - 0 0 97 0, 0.0 -1,-0.1 0, 0.0 68,-0.1 -0.139 49.0 -65.3 -59.2 160.0 -12.1 33.1 53.8 35 38 A P + 0 0 92 0, 0.0 2,-0.3 0, 0.0 68,-0.2 -0.132 66.5 169.5 -45.7 142.3 -11.1 31.0 50.7 36 39 A M - 0 0 28 -3,-0.1 68,-2.2 68,-0.0 2,-0.4 -0.909 38.0 -85.9-148.5 172.2 -7.3 30.6 50.3 37 40 A A E -bc 104 158A 13 120,-0.6 122,-2.9 -2,-0.3 123,-0.6 -0.750 42.5-179.8 -86.6 132.4 -4.7 28.7 48.3 38 41 A V E -bc 105 160A 0 66,-2.9 68,-2.2 -2,-0.4 2,-0.3 -0.930 10.2-149.8-127.9 157.8 -3.7 25.3 49.6 39 42 A G E -bc 106 161A 0 121,-2.9 123,-2.5 -2,-0.3 2,-0.4 -0.925 8.0-163.3-134.2 153.0 -1.2 22.9 48.1 40 43 A F E -bc 107 162A 1 66,-1.8 68,-2.4 -2,-0.3 123,-0.2 -1.000 18.7-135.2-135.0 131.9 -0.5 19.2 47.9 41 44 A D - 0 0 10 121,-2.8 5,-0.2 -2,-0.4 68,-0.2 -0.395 24.2-145.2 -63.0 159.9 2.5 17.1 47.0 42 45 A I >>> + 0 0 1 66,-0.3 4,-2.2 3,-0.2 5,-2.2 0.897 68.9 70.8 -97.3 -63.3 1.5 14.3 44.6 43 46 A D B 345S-f 47 0B 28 1,-0.3 121,-0.3 2,-0.2 5,-0.2 -0.379 121.8 -9.0 -74.6 124.3 3.5 11.1 45.2 44 47 A D T 345S+ 0 0 5 3,-3.1 -1,-0.3 -2,-0.2 4,-0.1 0.475 130.3 72.1 66.2 7.4 2.6 9.3 48.4 45 48 A T T <45S- 0 0 2 -3,-1.6 -2,-0.2 2,-0.4 46,-0.2 0.762 123.4 -6.2-108.0 -57.3 0.5 12.3 49.4 46 49 A V T <5S+ 0 0 0 -4,-2.2 42,-2.6 1,-0.3 2,-0.4 0.666 134.5 43.6-109.4 -26.3 -2.5 12.1 47.1 47 50 A L E < -fG 43 87B 1 -5,-2.2 -3,-3.1 40,-0.2 2,-1.3 -0.984 65.0-142.2-124.0 133.7 -1.5 9.2 44.9 48 51 A F E + G 0 86B 32 38,-2.5 38,-1.9 -2,-0.4 -5,-0.1 -0.771 38.2 164.7 -82.4 94.0 0.1 5.8 45.6 49 52 A S >> + 0 0 3 -2,-1.3 4,-1.6 36,-0.2 3,-0.8 0.324 36.2 109.3-103.2 5.5 2.2 6.1 42.4 50 53 A S H 3> + 0 0 6 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.807 67.7 69.0 -49.2 -36.9 4.7 3.3 43.3 51 54 A P H 3> S+ 0 0 43 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.939 106.0 39.6 -50.9 -48.9 3.1 1.0 40.6 52 55 A G H <> S+ 0 0 3 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.891 117.0 48.0 -65.7 -43.5 4.5 3.3 37.8 53 56 A F H X S+ 0 0 23 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.890 112.6 50.7 -65.9 -39.1 7.8 4.0 39.5 54 57 A W H X S+ 0 0 132 -4,-3.6 4,-2.3 2,-0.2 -2,-0.2 0.933 112.9 44.4 -60.9 -49.7 8.2 0.3 40.1 55 58 A R H X S+ 0 0 127 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.904 113.8 52.4 -62.2 -40.3 7.5 -0.6 36.5 56 59 A G H X>S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.5 0.912 109.0 48.5 -60.4 -45.9 9.8 2.3 35.4 57 60 A K H X5S+ 0 0 45 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.940 112.7 47.6 -61.8 -48.2 12.7 1.0 37.6 58 61 A K H <5S+ 0 0 108 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.851 118.6 41.3 -60.0 -37.3 12.3 -2.6 36.2 59 62 A T H <5S+ 0 0 81 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.859 128.4 22.7 -82.1 -40.1 12.2 -1.4 32.6 60 63 A F H <5S+ 0 0 60 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.719 137.6 7.5-107.4 -28.1 14.8 1.4 32.5 61 64 A S ><< + 0 0 7 -4,-1.9 3,-1.8 -5,-0.5 6,-0.2 -0.347 56.3 168.5-155.0 70.4 17.3 0.7 35.4 62 65 A P T 3 S+ 0 0 100 0, 0.0 -4,-0.1 0, 0.0 -5,-0.1 0.753 86.0 42.1 -56.1 -23.4 16.7 -2.6 37.2 63 66 A E T 3 S+ 0 0 75 -6,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.256 121.2 15.1-110.7 11.8 20.1 -2.2 39.0 64 67 A S S < S- 0 0 40 -3,-1.8 3,-0.3 -7,-0.2 -3,-0.1 -0.920 79.2 -95.4-162.4-176.5 20.1 1.5 39.9 65 68 A E S > S+ 0 0 111 -2,-0.3 3,-1.6 1,-0.2 4,-0.2 0.186 83.3 113.2 -96.4 14.2 18.1 4.7 40.3 66 69 A D G > + 0 0 87 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.754 58.2 74.8 -60.8 -27.0 19.1 5.9 36.8 67 70 A Y G > S+ 0 0 14 -3,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.824 86.4 64.5 -56.6 -30.1 15.5 5.6 35.5 68 71 A L G < S+ 0 0 57 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.620 103.9 45.9 -70.8 -12.9 14.7 8.8 37.5 69 72 A K G < S+ 0 0 161 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.252 92.4 104.7-105.0 7.5 17.1 10.7 35.2 70 73 A N X> - 0 0 47 -3,-1.6 4,-1.8 -4,-0.2 3,-0.6 -0.824 57.1-158.8-101.3 114.9 15.7 9.1 32.0 71 74 A P H 3> S+ 0 0 101 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.759 93.7 60.6 -59.1 -28.3 13.3 11.2 29.8 72 75 A V H 3> S+ 0 0 85 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.880 105.7 48.0 -68.2 -37.9 11.8 8.1 28.3 73 76 A F H <> S+ 0 0 0 -3,-0.6 4,-3.0 -6,-0.2 3,-0.3 0.954 110.1 50.7 -63.3 -51.6 10.6 7.0 31.8 74 77 A W H X S+ 0 0 17 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.855 104.7 57.8 -61.2 -34.7 9.1 10.4 32.6 75 78 A E H X S+ 0 0 89 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.939 113.2 39.5 -57.2 -47.8 7.2 10.5 29.3 76 79 A K H ><>S+ 0 0 90 -4,-1.4 5,-1.9 -3,-0.3 3,-0.7 0.919 116.2 51.4 -66.9 -45.9 5.4 7.3 30.3 77 80 A M H 3<5S+ 0 0 0 -4,-3.0 3,-0.4 1,-0.2 5,-0.4 0.855 116.4 39.0 -61.3 -38.6 5.1 8.2 34.0 78 81 A N H 3<5S+ 0 0 0 -4,-2.5 40,-3.0 -5,-0.2 41,-0.6 0.500 116.0 50.8 -94.6 -5.1 3.5 11.6 33.2 79 82 A N T <<5S- 0 0 38 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.049 132.4 -27.7-126.6 25.2 1.3 10.6 30.3 80 83 A G T > 5S+ 0 0 24 -3,-0.4 3,-1.9 -4,-0.2 -3,-0.2 0.237 103.5 94.7 160.1 -23.2 -0.7 7.5 31.4 81 84 A W G > S+ 0 0 3 -5,-0.4 3,-1.2 1,-0.3 -1,-0.3 0.595 73.8 82.3 -73.0 -6.8 -0.9 7.2 36.8 83 86 A E G < S+ 0 0 136 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.740 95.4 46.6 -61.6 -20.3 -4.0 5.3 35.6 84 87 A F G < S+ 0 0 142 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.3 0.395 90.2 106.4 -99.4 -1.2 -2.4 2.6 37.8 85 88 A S < - 0 0 11 -3,-1.2 -36,-0.2 -34,-0.1 -3,-0.0 -0.615 68.5-134.2 -79.8 139.0 -1.8 5.0 40.7 86 89 A I E -G 48 0B 104 -38,-1.9 -38,-2.5 -2,-0.3 -2,-0.1 -0.846 15.5-128.0-101.8 115.7 -4.3 4.6 43.6 87 90 A P E -G 47 0B 20 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.310 26.4-121.0 -59.4 138.2 -5.8 7.8 45.1 88 91 A K > - 0 0 5 -42,-2.6 4,-1.8 121,-0.1 3,-0.4 -0.667 5.2-137.7 -86.2 137.3 -5.5 8.0 48.8 89 92 A E H > S+ 0 0 97 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.845 105.2 58.0 -57.8 -39.8 -8.6 8.3 51.0 90 93 A V H > S+ 0 0 6 119,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.909 106.6 49.7 -59.5 -37.8 -6.9 11.0 53.2 91 94 A A H > S+ 0 0 1 -3,-0.4 4,-3.1 2,-0.2 5,-0.3 0.885 107.2 53.8 -68.6 -39.7 -6.5 13.1 50.0 92 95 A R H X S+ 0 0 84 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.939 112.7 45.0 -56.7 -46.8 -10.2 12.5 49.0 93 96 A Q H X S+ 0 0 95 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.911 116.1 44.6 -67.1 -43.8 -11.2 13.8 52.5 94 97 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.939 115.1 47.0 -66.6 -47.3 -8.8 16.8 52.4 95 98 A I H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.951 112.8 49.8 -60.9 -47.4 -9.6 17.8 48.9 96 99 A D H X S+ 0 0 77 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.886 111.9 49.7 -53.7 -44.2 -13.4 17.5 49.5 97 100 A M H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.916 113.3 44.7 -63.5 -44.1 -13.0 19.7 52.7 98 101 A H H X>S+ 0 0 0 -4,-2.6 5,-2.8 2,-0.2 4,-0.5 0.864 112.3 51.1 -72.9 -34.9 -11.0 22.4 50.8 99 102 A V H ><5S+ 0 0 35 -4,-2.9 3,-1.2 3,-0.2 -1,-0.2 0.913 108.2 53.6 -63.3 -43.2 -13.4 22.4 47.9 100 103 A R H 3<5S+ 0 0 157 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.851 108.2 50.6 -57.3 -37.1 -16.3 22.8 50.4 101 104 A R H 3<5S- 0 0 42 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.611 116.4-118.6 -73.7 -15.8 -14.3 25.8 51.8 102 105 A G T <<5 + 0 0 37 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.697 58.9 160.0 78.5 22.6 -14.0 27.3 48.2 103 106 A D < - 0 0 1 -5,-2.8 2,-0.5 -68,-0.2 -66,-0.2 -0.355 46.0-112.1 -74.5 155.7 -10.2 27.0 48.4 104 107 A A E -b 37 0A 32 -68,-2.2 -66,-2.9 -2,-0.1 2,-0.6 -0.787 32.2-145.0 -86.7 129.2 -7.9 27.0 45.4 105 108 A I E -b 38 0A 0 28,-2.8 30,-0.5 -2,-0.5 2,-0.3 -0.875 19.5-179.0-106.8 120.1 -6.2 23.6 45.1 106 109 A F E -b 39 0A 16 -68,-2.2 -66,-1.8 -2,-0.6 2,-0.4 -0.898 15.3-154.0-114.6 146.5 -2.6 23.4 43.8 107 110 A F E -b 40 0A 0 -2,-0.3 31,-3.0 29,-0.3 2,-0.5 -0.989 11.2-170.8-119.4 127.4 -0.4 20.3 43.2 108 111 A V E +h 138 0C 0 -68,-2.4 -66,-0.3 -2,-0.4 2,-0.3 -0.961 11.0 179.0-126.6 114.8 3.3 20.8 43.5 109 112 A T E -h 139 0C 1 29,-3.0 31,-2.8 -2,-0.5 -68,-0.0 -0.832 36.0-149.8-122.2 150.0 5.6 18.0 42.4 110 113 A G + 0 0 54 -2,-0.3 29,-0.1 29,-0.2 -1,-0.1 0.336 60.3 126.5 -94.3 2.3 9.3 17.2 42.1 111 114 A R S S- 0 0 5 1,-0.1 -2,-0.1 30,-0.0 -43,-0.0 -0.306 74.5 -97.4 -54.2 144.5 8.7 14.9 39.1 112 115 A S - 0 0 24 -44,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.446 44.6-110.8 -67.4 137.5 10.8 15.8 36.1 113 116 A P - 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0 0 40 -3,-2.5 -1,-0.4 -6,-0.0 2,-0.3 -0.413 60.5-138.9 -79.5 162.2 12.3 26.1 37.3 147 150 A N - 0 0 68 -8,-0.3 -6,-2.1 -2,-0.1 -4,-0.1 -0.916 24.1-109.4-115.7 154.5 11.3 27.4 40.7 148 151 A T > - 0 0 49 -2,-0.3 4,-2.3 -8,-0.2 5,-0.2 -0.271 32.2-103.8 -74.5 164.6 11.7 25.3 44.0 149 152 A K H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.937 124.3 52.4 -50.1 -48.5 8.7 24.0 45.9 150 153 A S H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.896 107.8 49.8 -55.3 -46.4 9.3 26.9 48.4 151 154 A Q H > S+ 0 0 87 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.903 110.3 50.5 -63.9 -40.5 9.3 29.6 45.7 152 155 A W H X S+ 0 0 56 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.871 106.6 54.1 -64.3 -38.2 6.0 28.2 44.3 153 156 A L H <>S+ 0 0 1 -4,-2.1 5,-2.5 2,-0.2 4,-0.4 0.920 113.2 44.1 -60.7 -43.2 4.3 28.2 47.7 154 157 A Q H ><5S+ 0 0 124 -4,-2.0 3,-1.3 3,-0.2 -2,-0.2 0.951 112.7 51.8 -61.4 -52.1 5.3 31.9 48.0 155 158 A D H 3<5S+ 0 0 104 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.858 117.3 37.0 -55.3 -43.5 4.3 32.7 44.4 156 159 A K T 3<5S- 0 0 80 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.375 106.3-123.9 -93.3 4.7 0.8 31.2 44.8 157 160 A N T < 5 - 0 0 105 -3,-1.3 -120,-0.6 -4,-0.4 2,-0.4 0.893 40.1-174.7 49.0 46.8 0.4 32.4 48.4 158 161 A I E < -c 37 0A 0 -5,-2.5 -120,-0.2 -6,-0.2 -1,-0.2 -0.617 13.0-172.9 -75.0 122.5 -0.3 28.8 49.5 159 162 A R E S+ 0 0 97 -122,-2.9 19,-2.4 -2,-0.4 2,-0.4 0.714 70.0 31.9 -93.2 -26.8 -1.2 28.8 53.2 160 163 A I E -cd 38 178A 4 -123,-0.6 -121,-2.9 17,-0.2 2,-0.5 -0.999 66.0-168.8-132.3 132.1 -1.3 25.1 53.9 161 164 A F E -cd 39 179A 0 17,-2.5 19,-2.4 -2,-0.4 2,-0.4 -0.987 6.2-158.3-126.5 122.9 1.0 22.5 52.2 162 165 A Y E +cd 40 180A 0 -123,-2.5 -121,-2.8 -2,-0.5 2,-0.3 -0.849 28.1 142.1 -99.0 132.2 0.4 18.7 52.5 163 166 A G E - d 0 181A 0 17,-2.0 19,-2.1 -2,-0.4 -119,-0.1 -0.995 48.4-139.0-163.5 163.8 3.2 16.3 51.9 164 167 A D S S+ 0 0 3 -121,-0.3 20,-0.3 -2,-0.3 2,-0.2 0.672 78.0 76.5 -99.5 -19.4 4.9 13.1 52.9 165 168 A S S >> S- 0 0 13 1,-0.1 4,-1.5 18,-0.1 3,-0.7 -0.562 81.4-120.1 -98.8 157.7 8.6 14.0 52.6 166 169 A D H 3> S+ 0 0 66 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.902 115.1 57.7 -55.5 -41.4 10.8 16.1 54.8 167 170 A N H 3> S+ 0 0 86 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.779 101.8 55.2 -63.4 -29.8 11.4 18.5 51.9 168 171 A D H <> S+ 0 0 1 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.916 111.1 43.6 -66.3 -44.8 7.7 19.1 51.7 169 172 A I H X S+ 0 0 6 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.923 114.5 48.3 -69.7 -45.0 7.5 20.2 55.3 170 173 A T H X S+ 0 0 30 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.822 106.0 59.3 -67.7 -28.8 10.6 22.3 55.2 171 174 A A H X S+ 0 0 3 -4,-1.6 4,-0.7 -5,-0.2 -1,-0.2 0.927 110.1 42.7 -58.7 -46.1 9.3 24.0 52.0 172 175 A A H >X>S+ 0 0 0 -4,-1.5 5,-2.4 1,-0.2 3,-1.0 0.934 113.7 51.9 -64.4 -46.7 6.3 25.1 54.0 173 176 A R H ><5S+ 0 0 149 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.897 103.1 58.9 -57.0 -44.6 8.4 26.1 57.0 174 177 A D H 3<5S+ 0 0 102 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.724 115.2 34.4 -60.4 -23.7 10.8 28.2 54.9 175 178 A V H <<5S- 0 0 33 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.321 116.3-104.4-117.4 5.2 8.0 30.5 53.7 176 179 A G T <<5S+ 0 0 54 -3,-1.1 -3,-0.2 -4,-0.6 2,-0.2 0.640 73.2 139.7 80.8 15.9 5.8 30.5 56.8 177 180 A A < - 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