==== 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 21-NOV-02 1N8N . 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 . 209 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11445.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 62.2 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 . 25 12.0 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 . 6 2.9 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 1 2 0 1 1 0 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 0 173 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.4 17.8 -11.4 66.6 2 5 A P - 0 0 92 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.257 360.0-135.0 -63.8 143.1 16.1 -13.8 69.1 3 6 A L S S+ 0 0 166 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.859 107.3 28.6 -58.1 -41.8 13.6 -16.4 67.8 4 7 A N S S+ 0 0 144 1,-0.1 -1,-0.3 0, 0.0 0, 0.0 -0.776 72.5 167.5-122.5 82.3 11.3 -15.5 70.6 5 8 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.797 26.2-165.1 -71.3 -26.8 12.0 -11.8 71.4 6 9 A G - 0 0 63 -4,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.091 4.7-129.7 70.5-174.6 8.9 -11.3 73.6 7 10 A T - 0 0 93 4,-0.0 2,-0.3 3,-0.0 3,-0.0 -0.921 7.5-139.3-157.3-176.9 7.5 -7.9 74.6 8 11 A N > - 0 0 66 -2,-0.3 4,-2.2 1,-0.0 5,-0.1 -0.965 31.4-106.0-150.1 167.1 6.4 -6.0 77.7 9 12 A V H > S+ 0 0 118 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.732 115.6 59.8 -75.0 -20.5 3.6 -3.6 78.4 10 13 A A H > S+ 0 0 71 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.967 111.7 42.6 -65.4 -47.0 5.8 -0.5 78.5 11 14 A R H 4 S+ 0 0 172 1,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.879 112.0 54.1 -61.9 -41.5 6.7 -1.3 74.9 12 15 A L H < S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.861 117.0 36.4 -62.9 -35.0 3.1 -2.1 73.9 13 16 A A H < S+ 0 0 68 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.483 87.9 128.3 -96.5 -5.5 1.8 1.2 75.2 14 17 A E < - 0 0 144 -4,-0.8 2,-0.4 -3,-0.5 -3,-0.0 -0.266 38.3-166.0 -64.0 135.0 4.8 3.4 74.1 15 18 A Q - 0 0 147 -2,-0.0 -2,-0.1 2,-0.0 -1,-0.1 -0.958 19.4-128.9-122.0 137.2 4.0 6.5 72.1 16 19 A A - 0 0 61 -2,-0.4 2,-1.9 1,-0.1 0, 0.0 -0.551 38.9-105.7 -71.6 144.3 6.2 8.7 70.1 17 20 A P + 0 0 135 0, 0.0 2,-0.4 0, 0.0 183,-0.1 -0.554 66.1 152.0 -77.8 82.8 5.8 12.5 71.0 18 21 A I - 0 0 43 -2,-1.9 2,-1.4 185,-0.0 184,-0.1 -0.921 51.4-129.7-115.3 137.6 3.8 13.3 67.8 19 22 A H E -a 202 0A 109 182,-0.6 184,-2.3 -2,-0.4 2,-0.3 -0.678 36.6-168.5 -85.5 88.0 1.2 16.1 67.3 20 23 A W E -a 203 0A 99 -2,-1.4 2,-0.3 182,-0.2 184,-0.2 -0.591 7.0-178.4 -77.8 142.3 -1.5 14.0 65.7 21 24 A V E -a 204 0A 5 182,-2.4 184,-2.6 -2,-0.3 2,-0.2 -0.948 17.9-136.9-134.0 157.9 -4.5 15.7 64.1 22 25 A S > - 0 0 34 -2,-0.3 4,-2.1 182,-0.2 5,-0.1 -0.665 29.8-112.4-103.2 166.5 -7.7 14.6 62.4 23 26 A V H > S+ 0 0 22 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 120.6 53.7 -60.1 -41.8 -9.2 16.1 59.2 24 27 A A H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.872 107.5 50.3 -62.6 -39.7 -12.1 17.3 61.4 25 28 A Q H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 110.1 49.8 -65.9 -40.6 -9.7 19.1 63.7 26 29 A I H X S+ 0 0 1 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.956 111.5 48.7 -60.7 -48.3 -7.9 20.8 60.8 27 30 A E H >< S+ 0 0 59 -4,-2.7 3,-0.9 1,-0.2 4,-0.3 0.904 109.8 52.1 -59.2 -43.2 -11.3 21.9 59.4 28 31 A N H >< S+ 0 0 129 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.898 104.4 56.5 -56.8 -40.4 -12.3 23.3 62.8 29 32 A S H 3< S+ 0 0 56 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.717 110.8 45.6 -66.5 -19.0 -9.0 25.2 63.0 30 33 A L T X< S+ 0 0 3 -3,-0.9 3,-2.5 -4,-0.8 -1,-0.3 0.363 79.8 135.2-102.8 0.5 -10.0 26.9 59.7 31 34 A A T < S+ 0 0 73 -3,-1.5 -3,-0.1 -4,-0.3 70,-0.0 -0.267 79.0 9.7 -59.6 132.5 -13.6 27.7 60.7 32 35 A G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 0, 0.0 -4,-0.0 0.431 94.2 130.6 76.0 -1.4 -14.5 31.3 59.6 33 36 A R < - 0 0 126 -3,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.717 60.2-118.6 -80.6 134.1 -11.3 31.7 57.6 34 37 A P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 68,-0.1 -0.208 48.0 -65.8 -63.8 162.4 -11.9 33.1 54.1 35 38 A P + 0 0 91 0, 0.0 2,-0.3 0, 0.0 68,-0.1 -0.116 65.6 170.5 -46.8 140.5 -11.0 31.1 50.9 36 39 A M - 0 0 23 -3,-0.1 68,-2.1 68,-0.0 2,-0.4 -0.896 37.5 -91.0-145.4 169.7 -7.2 30.7 50.5 37 40 A A E +bc 104 158A 13 120,-0.7 122,-2.8 -2,-0.3 123,-0.6 -0.766 42.7 178.4 -85.4 135.1 -4.7 28.8 48.4 38 41 A V E -bc 105 160A 0 66,-2.7 68,-2.3 -2,-0.4 2,-0.3 -0.932 10.0-151.2-131.6 162.1 -3.6 25.4 49.8 39 42 A G E -bc 106 161A 0 121,-2.6 123,-2.6 -2,-0.3 2,-0.4 -0.940 7.6-159.6-140.5 156.1 -1.2 22.8 48.3 40 43 A F E -bc 107 162A 0 66,-1.9 68,-2.2 -2,-0.3 123,-0.2 -0.999 18.9-133.9-134.7 131.5 -0.5 19.1 48.1 41 44 A D - 0 0 13 121,-2.8 68,-0.2 -2,-0.4 5,-0.2 -0.425 25.5-145.0 -64.9 158.7 2.6 17.2 47.2 42 45 A I >>> + 0 0 1 66,-0.4 4,-2.3 3,-0.2 5,-2.2 0.914 68.6 73.4 -95.3 -63.5 1.5 14.3 44.9 43 46 A D B 345S-f 47 0B 28 1,-0.3 121,-0.3 2,-0.2 5,-0.2 -0.364 120.9 -9.8 -72.0 121.7 3.5 11.1 45.4 44 47 A D T 345S+ 0 0 5 3,-3.1 -1,-0.3 -2,-0.3 4,-0.1 0.513 130.1 72.9 66.5 9.7 2.5 9.3 48.7 45 48 A T T <45S- 0 0 0 -3,-1.6 -2,-0.2 2,-0.3 46,-0.2 0.765 123.0 -6.0-108.8 -54.9 0.5 12.3 49.7 46 49 A V T <5S+ 0 0 0 -4,-2.3 42,-2.6 1,-0.3 2,-0.4 0.674 134.3 43.1-112.7 -25.0 -2.5 12.1 47.4 47 50 A L E < -fG 43 87B 0 -5,-2.2 -3,-3.1 40,-0.2 2,-1.3 -0.978 64.7-142.0-124.4 135.0 -1.5 9.2 45.1 48 51 A F E + G 0 86B 35 38,-2.4 38,-2.2 -2,-0.4 -5,-0.1 -0.785 38.7 164.0 -82.5 94.0 0.1 5.8 45.9 49 52 A S >> + 0 0 3 -2,-1.3 4,-1.6 36,-0.2 3,-0.8 0.341 36.2 109.3-104.3 4.8 2.1 6.1 42.7 50 53 A S H 3> + 0 0 6 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.790 68.1 68.7 -48.7 -33.8 4.7 3.3 43.6 51 54 A P H 3> S+ 0 0 44 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.948 105.6 39.6 -54.7 -48.2 3.1 1.0 40.9 52 55 A G H <> S+ 0 0 3 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.853 117.3 48.8 -67.6 -38.4 4.4 3.3 38.1 53 56 A F H X S+ 0 0 24 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.902 112.0 50.1 -69.2 -38.6 7.8 3.9 39.8 54 57 A W H X S+ 0 0 131 -4,-3.5 4,-2.4 2,-0.2 -2,-0.2 0.929 112.8 45.5 -59.4 -49.3 8.1 0.2 40.4 55 58 A R H X S+ 0 0 127 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.913 113.3 51.8 -62.8 -39.1 7.4 -0.6 36.7 56 59 A G H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.5 0.905 109.3 47.9 -63.4 -45.1 9.8 2.2 35.7 57 60 A K H X S+ 0 0 46 -4,-2.5 4,-2.2 1,-0.2 7,-0.2 0.946 113.8 47.6 -63.0 -46.5 12.7 0.9 37.8 58 61 A K H < S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.826 118.9 40.4 -62.1 -35.4 12.2 -2.6 36.5 59 62 A T H < S+ 0 0 79 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.878 128.5 23.9 -82.7 -41.9 12.0 -1.4 32.9 60 63 A F H < S+ 0 0 60 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.668 137.6 7.9-106.5 -21.3 14.7 1.3 32.7 61 64 A S >< + 0 0 8 -4,-2.2 3,-1.9 -5,-0.5 6,-0.2 -0.270 56.6 168.7-162.2 65.6 17.2 0.5 35.6 62 65 A P T 3 S+ 0 0 90 0, 0.0 -4,-0.1 0, 0.0 -5,-0.1 0.759 86.2 41.1 -52.8 -26.5 16.7 -2.9 37.4 63 66 A E T 3 S+ 0 0 190 -6,-0.1 2,-0.2 -5,-0.0 -5,-0.1 0.262 122.0 16.4-113.3 13.8 20.0 -2.5 39.1 64 67 A S S < S- 0 0 39 -3,-1.9 3,-0.2 -7,-0.2 -3,-0.1 -0.885 77.8 -96.8-159.5-173.6 20.1 1.2 40.1 65 68 A E S > S+ 0 0 113 -2,-0.2 3,-1.4 1,-0.1 4,-0.1 0.156 82.5 111.4-100.0 15.7 18.2 4.5 40.5 66 69 A D G > + 0 0 91 1,-0.3 3,-2.4 2,-0.2 4,-0.2 0.763 58.5 76.1 -64.2 -25.8 19.1 5.8 37.0 67 70 A Y G > S+ 0 0 16 1,-0.3 3,-1.7 -3,-0.2 -1,-0.3 0.830 85.4 64.9 -54.2 -30.9 15.5 5.5 35.8 68 71 A L G < S+ 0 0 58 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.554 104.4 44.2 -72.3 -9.3 14.7 8.7 37.8 69 72 A K G < S+ 0 0 162 -3,-2.4 -1,-0.3 -4,-0.1 -2,-0.2 0.176 92.4 105.2-110.8 10.8 17.1 10.7 35.5 70 73 A N X> - 0 0 49 -3,-1.7 4,-1.8 -4,-0.2 3,-0.8 -0.837 57.3-158.6-103.6 111.1 15.7 9.0 32.3 71 74 A P H 3> S+ 0 0 102 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.745 93.2 61.1 -56.4 -26.7 13.4 11.2 30.2 72 75 A V H 3> S+ 0 0 86 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.882 105.3 47.8 -69.5 -36.8 11.8 8.1 28.6 73 76 A F H <> S+ 0 0 0 -3,-0.8 4,-3.0 -6,-0.2 3,-0.3 0.950 110.7 50.2 -64.4 -49.7 10.7 7.0 32.1 74 77 A W H X S+ 0 0 17 -4,-1.8 4,-2.5 1,-0.3 -2,-0.2 0.852 105.0 57.5 -63.9 -33.3 9.2 10.4 33.0 75 78 A E H X S+ 0 0 92 -4,-1.9 4,-0.7 2,-0.2 -1,-0.3 0.924 112.9 40.4 -61.8 -42.0 7.3 10.5 29.7 76 79 A K H ><>S+ 0 0 91 -4,-1.4 5,-1.7 -3,-0.3 3,-0.7 0.927 115.7 51.5 -68.4 -45.2 5.5 7.2 30.6 77 80 A M H 3<5S+ 0 0 0 -4,-3.0 5,-0.4 1,-0.2 3,-0.4 0.842 115.9 39.2 -60.4 -40.1 5.1 8.2 34.3 78 81 A N H 3<5S+ 0 0 0 -4,-2.5 40,-3.3 -5,-0.2 41,-0.7 0.493 114.7 51.8 -93.9 -2.9 3.5 11.5 33.6 79 82 A N T <<5S- 0 0 39 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.046 132.3 -28.6-128.1 26.5 1.3 10.6 30.6 80 83 A G T > 5S+ 0 0 23 -3,-0.4 3,-2.0 -4,-0.2 4,-0.2 0.285 102.3 96.4 158.6 -18.2 -0.6 7.6 31.8 81 84 A W G > S+ 0 0 2 -5,-0.4 3,-1.4 1,-0.3 -1,-0.3 0.599 73.5 82.1 -72.7 -5.5 -1.0 7.2 37.1 83 86 A E G < S+ 0 0 135 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.765 96.2 45.1 -60.2 -22.8 -3.9 5.3 35.8 84 87 A F G < S+ 0 0 133 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.3 0.369 91.0 106.3-100.0 0.9 -2.4 2.6 38.1 85 88 A S < - 0 0 7 -3,-1.4 -36,-0.2 -34,-0.1 -3,-0.0 -0.656 68.4-133.0 -85.3 143.8 -1.8 5.0 41.0 86 89 A I E -G 48 0B 104 -38,-2.2 -38,-2.4 -2,-0.3 -36,-0.1 -0.816 15.1-128.4-104.5 116.8 -4.2 4.6 43.9 87 90 A P E -G 47 0B 24 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.270 26.2-121.9 -60.3 141.0 -5.8 7.8 45.4 88 91 A K > - 0 0 8 -42,-2.6 4,-1.7 121,-0.2 3,-0.3 -0.687 5.5-137.9 -88.4 139.1 -5.4 8.0 49.1 89 92 A E H > S+ 0 0 100 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.840 105.1 58.6 -62.7 -37.2 -8.6 8.3 51.3 90 93 A V H > S+ 0 0 5 119,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.911 106.7 48.7 -60.1 -38.5 -7.0 11.0 53.5 91 94 A A H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.873 107.3 54.5 -69.8 -37.5 -6.5 13.1 50.3 92 95 A R H X S+ 0 0 88 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.945 111.8 45.4 -58.1 -47.4 -10.1 12.6 49.3 93 96 A Q H X S+ 0 0 96 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.907 115.8 45.0 -65.1 -42.3 -11.2 13.9 52.7 94 97 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.927 115.0 46.6 -66.8 -46.2 -8.9 16.9 52.7 95 98 A I H X S+ 0 0 1 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.938 111.3 52.7 -66.2 -43.6 -9.6 17.9 49.1 96 99 A D H X S+ 0 0 84 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.902 112.4 45.7 -54.7 -44.0 -13.4 17.6 49.7 97 100 A M H X S+ 0 0 2 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.883 112.9 48.2 -74.6 -32.4 -13.2 19.8 52.7 98 101 A H H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 4,-0.3 0.897 111.5 50.8 -71.2 -37.0 -11.0 22.4 51.0 99 102 A V H ><5S+ 0 0 35 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.923 108.0 54.0 -63.4 -41.9 -13.3 22.4 48.0 100 103 A R H 3<5S+ 0 0 159 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.865 106.7 51.6 -59.0 -38.8 -16.2 23.0 50.4 101 104 A R T 3<5S- 0 0 42 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.481 116.4-115.8 -72.0 -8.5 -14.4 26.0 51.9 102 105 A G T < 5 + 0 0 38 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.673 60.8 159.5 74.1 20.8 -13.9 27.5 48.3 103 106 A D < - 0 0 0 -5,-2.5 2,-0.4 -6,-0.2 -66,-0.2 -0.343 45.4-114.1 -74.5 156.7 -10.2 27.1 48.6 104 107 A A E -b 37 0A 32 -68,-2.1 -66,-2.7 -2,-0.0 2,-0.6 -0.783 31.0-144.3 -87.6 132.3 -7.8 27.1 45.6 105 108 A I E -b 38 0A 0 28,-3.0 30,-0.5 -2,-0.4 2,-0.4 -0.891 19.6-179.4-109.5 117.5 -6.1 23.7 45.2 106 109 A F E -b 39 0A 16 -68,-2.3 -66,-1.9 -2,-0.6 2,-0.4 -0.906 14.1-155.9-111.5 146.7 -2.5 23.4 44.0 107 110 A F E -b 40 0A 0 -2,-0.4 31,-3.0 29,-0.3 2,-0.4 -0.989 11.2-172.3-118.4 130.3 -0.4 20.3 43.5 108 111 A V E +h 138 0C 0 -68,-2.2 -66,-0.4 -2,-0.4 2,-0.3 -0.984 9.3 179.3-129.1 122.4 3.4 20.8 43.6 109 112 A T E -h 139 0C 3 29,-2.8 31,-2.6 -2,-0.4 -68,-0.0 -0.859 35.9-146.2-126.5 153.8 5.7 17.9 42.7 110 113 A G + 0 0 59 -2,-0.3 29,-0.1 29,-0.2 -1,-0.1 0.313 61.9 125.4 -95.3 1.7 9.4 17.1 42.4 111 114 A R S S- 0 0 5 1,-0.1 -2,-0.1 30,-0.0 -43,-0.0 -0.364 74.9 -98.4 -54.7 146.2 8.8 14.8 39.4 112 115 A S - 0 0 20 -44,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.417 44.0-111.6 -68.3 139.4 10.9 15.7 36.4 113 116 A P - 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.363 34.6-165.6 -77.8 154.5 8.9 17.8 33.9 114 117 A T - 0 0 38 -40,-0.1 3,-0.1 1,-0.1 -39,-0.0 -0.777 38.6 -94.0-132.0 173.1 7.9 16.4 30.5 115 118 A K S S+ 0 0 222 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.932 109.5 1.5 -56.3 -49.9 6.6 17.7 27.2 116 119 A T - 0 0 91 -41,-0.0 2,-0.3 -3,-0.0 -38,-0.1 -0.843 69.1-160.7-128.8 167.9 3.0 17.0 28.2 117 120 A E - 0 0 54 -2,-0.3 -38,-0.2 -38,-0.1 4,-0.2 -0.984 18.0-171.3-149.3 141.3 1.5 15.6 31.4 118 121 A T > + 0 0 56 -40,-3.3 4,-2.3 -2,-0.3 -39,-0.2 0.278 67.4 98.1-112.9 11.2 -1.9 14.0 32.1 119 122 A V H > S+ 0 0 0 -41,-0.7 4,-2.5 2,-0.2 5,-0.2 0.878 78.7 56.4 -64.9 -40.7 -1.4 14.0 35.9 120 123 A S H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 110.5 45.7 -59.0 -43.4 -3.4 17.2 36.4 121 124 A K H > S+ 0 0 134 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.921 109.6 53.5 -63.8 -45.8 -6.3 15.5 34.7 122 125 A T H X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.915 112.2 46.2 -54.2 -44.8 -5.9 12.3 36.7 123 126 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 6,-0.3 0.946 112.3 47.7 -65.1 -48.8 -6.1 14.4 39.9 124 127 A A H X>S+ 0 0 19 -4,-2.5 5,-1.9 -5,-0.2 4,-0.6 0.920 117.9 43.1 -61.3 -39.0 -9.1 16.5 38.9 125 128 A D H <5S+ 0 0 90 -4,-2.6 3,-0.5 -5,-0.2 -2,-0.2 0.931 116.0 45.0 -70.1 -48.1 -11.0 13.4 37.8 126 129 A N H <5S+ 0 0 45 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.869 121.9 37.7 -67.8 -38.0 -10.1 11.1 40.7 127 130 A F H <5S- 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.377 103.7-125.2 -98.7 2.3 -10.7 13.7 43.4 128 131 A H T <5 + 0 0 135 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.914 43.9 175.6 57.5 47.3 -13.8 15.3 41.7 129 132 A I < - 0 0 10 -5,-1.9 -1,-0.2 -6,-0.3 5,-0.1 -0.770 30.6-123.9 -91.8 116.9 -12.1 18.7 41.9 130 133 A P >> - 0 0 52 0, 0.0 3,-1.4 0, 0.0 4,-1.3 -0.322 21.0-117.8 -57.8 144.3 -14.3 21.4 40.2 131 134 A A T 34 S+ 0 0 94 1,-0.3 3,-0.2 2,-0.2 -2,-0.0 0.824 114.0 61.9 -52.1 -35.4 -12.4 23.3 37.4 132 135 A T T 34 S+ 0 0 129 1,-0.2 -1,-0.3 -28,-0.0 -3,-0.0 0.828 111.6 36.4 -62.5 -31.7 -12.8 26.5 39.4 133 136 A N T <4 S+ 0 0 16 -3,-1.4 -28,-3.0 -29,-0.1 -1,-0.2 0.617 102.6 93.4 -93.1 -14.4 -10.8 25.1 42.4 134 137 A M < - 0 0 27 -4,-1.3 -28,-0.1 -3,-0.2 -14,-0.0 -0.453 50.0-173.7 -87.5 149.2 -8.3 23.1 40.3 135 138 A N - 0 0 42 -30,-0.5 -28,-0.2 -2,-0.1 3,-0.1 -0.991 35.7 -96.3-138.4 146.3 -4.8 24.3 39.1 136 139 A P - 0 0 95 0, 0.0 -29,-0.3 0, 0.0 -17,-0.0 -0.310 55.8 -87.8 -62.7 147.6 -2.4 22.6 36.7 137 140 A V - 0 0 12 -31,-0.1 2,-0.6 1,-0.1 -29,-0.2 -0.280 38.3-135.4 -56.7 135.3 0.3 20.6 38.5 138 141 A I E -h 108 0C 17 -31,-3.0 -29,-2.8 -3,-0.1 2,-0.9 -0.869 8.2-153.4 -95.0 120.0 3.4 22.6 39.3 139 142 A F E -h 109 0C 34 -2,-0.6 8,-0.3 -31,-0.2 2,-0.3 -0.870 25.6-175.8 -95.4 101.7 6.7 20.8 38.5 140 143 A A + 0 0 6 -31,-2.6 2,-0.3 -2,-0.9 8,-0.2 -0.701 19.7 106.3-102.1 151.4 9.1 22.4 41.0 141 144 A G S S- 0 0 22 6,-2.1 -30,-0.0 -2,-0.3 5,-0.0 -0.992 71.5 -76.7 170.3-163.3 12.8 21.9 41.4 142 145 A D S S+ 0 0 150 -2,-0.3 6,-0.1 6,-0.1 3,-0.1 0.190 80.1 114.1-113.0 16.7 16.2 23.3 40.9 143 146 A K S > S- 0 0 95 1,-0.1 3,-1.6 4,-0.1 -2,-0.1 -0.466 82.3 -82.8 -80.0 157.9 16.7 22.7 37.2 144 147 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.386 120.9 31.0 -61.7 134.8 17.0 25.7 34.8 145 148 A G T 3 S+ 0 0 92 1,-0.4 2,-0.3 -3,-0.1 -2,-0.1 0.552 106.4 100.5 90.2 9.6 13.5 27.0 34.0 146 149 A Q < - 0 0 37 -3,-1.6 -1,-0.4 -6,-0.0 2,-0.3 -0.868 59.2-146.8-120.8 157.1 12.2 25.9 37.4 147 150 A N - 0 0 64 -8,-0.3 -6,-2.1 -2,-0.3 -4,-0.1 -0.901 34.0-107.4-111.7 154.5 11.3 27.5 40.7 148 151 A T > - 0 0 54 -2,-0.3 4,-2.1 -8,-0.2 5,-0.2 -0.259 30.5-105.0 -75.2 165.8 11.8 25.6 43.9 149 152 A K H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.932 122.3 52.5 -55.3 -48.3 8.9 24.2 45.9 150 153 A S H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 108.1 52.0 -56.4 -41.4 9.3 27.0 48.5 151 154 A Q H > S+ 0 0 77 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.906 109.1 49.1 -64.1 -41.2 9.3 29.7 45.8 152 155 A W H X S+ 0 0 60 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.894 107.3 54.7 -64.2 -40.8 6.0 28.3 44.4 153 156 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-0.3 0.912 113.9 42.3 -58.0 -43.2 4.4 28.3 47.8 154 157 A Q H ><5S+ 0 0 115 -4,-2.0 3,-1.5 3,-0.2 -2,-0.2 0.962 114.1 51.1 -63.6 -54.2 5.3 32.0 48.2 155 158 A D H 3<5S+ 0 0 103 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.861 117.4 38.0 -52.9 -43.7 4.3 32.9 44.6 156 159 A K T 3<5S- 0 0 85 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.407 106.4-125.6 -90.2 3.7 0.9 31.2 45.0 157 160 A N T < 5 - 0 0 104 -3,-1.5 -120,-0.7 -4,-0.3 2,-0.5 0.911 39.0-175.0 50.8 46.8 0.4 32.4 48.6 158 161 A I E < -c 37 0A 0 -5,-2.6 -120,-0.2 -6,-0.2 -1,-0.2 -0.647 13.0-173.5 -78.2 124.1 -0.2 28.8 49.7 159 162 A R E + 0 0 82 -122,-2.8 19,-2.7 -2,-0.5 2,-0.4 0.689 69.6 32.6 -92.9 -28.1 -1.1 28.9 53.4 160 163 A I E -cd 38 178A 5 -123,-0.6 -121,-2.6 17,-0.2 2,-0.4 -0.999 65.5-169.8-130.7 132.8 -1.2 25.1 54.1 161 164 A F E -cd 39 179A 0 17,-2.5 19,-2.4 -2,-0.4 2,-0.4 -0.977 6.5-158.4-128.3 121.8 1.0 22.5 52.4 162 165 A Y E +cd 40 180A 0 -123,-2.6 -121,-2.8 -2,-0.4 2,-0.3 -0.796 27.7 139.1 -95.3 134.9 0.4 18.8 52.8 163 166 A G E - d 0 181A 0 17,-2.2 19,-1.9 -2,-0.4 -119,-0.1 -0.997 49.4-136.2-167.4 168.4 3.1 16.2 52.2 164 167 A D S S+ 0 0 2 -121,-0.3 20,-0.3 -2,-0.3 2,-0.2 0.651 78.6 77.0-100.2 -18.0 4.8 13.0 53.2 165 168 A S S >> S- 0 0 11 1,-0.1 4,-1.4 18,-0.1 3,-1.1 -0.599 81.7-119.4 -99.9 156.2 8.5 14.0 52.9 166 169 A D H 3> S+ 0 0 66 1,-0.2 4,-2.6 -2,-0.2 3,-0.3 0.910 114.4 57.1 -53.7 -41.4 10.8 16.0 55.1 167 170 A N H 3> S+ 0 0 85 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.705 100.9 57.3 -70.2 -19.8 11.3 18.5 52.2 168 171 A D H <> S+ 0 0 1 -3,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.914 110.8 42.6 -69.0 -43.6 7.6 19.1 51.9 169 172 A I H X S+ 0 0 6 -4,-1.4 4,-2.3 -3,-0.3 -2,-0.2 0.908 114.7 49.1 -70.4 -42.4 7.4 20.2 55.6 170 173 A T H X S+ 0 0 30 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.830 106.8 57.0 -71.6 -28.6 10.6 22.3 55.4 171 174 A A H X S+ 0 0 3 -4,-1.3 4,-1.0 -5,-0.2 -1,-0.2 0.937 109.6 45.1 -60.9 -45.7 9.4 24.0 52.3 172 175 A A H ><>S+ 0 0 0 -4,-1.6 5,-2.9 1,-0.2 3,-0.6 0.910 112.8 51.3 -60.9 -45.9 6.2 25.1 54.2 173 176 A R H ><5S+ 0 0 147 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.900 103.8 59.0 -59.8 -42.2 8.4 26.2 57.2 174 177 A D H 3<5S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.774 114.8 34.7 -60.2 -30.3 10.7 28.3 55.0 175 178 A V T <<5S- 0 0 32 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.310 115.9-108.0-108.0 5.8 7.8 30.5 53.8 176 179 A G T < 5S+ 0 0 54 -3,-1.2 -3,-0.2 -4,-0.4 2,-0.2 0.748 71.8 140.0 72.2 23.8 5.8 30.5 57.0 177 180 A A < - 0 0 11 -5,-2.9 2,-0.8 -6,-0.2 -1,-0.2 -0.555 63.9-100.7 -87.4 162.2 3.0 28.2 55.7 178 181 A R E -d 160 0A 66 -19,-2.7 -17,-2.5 -2,-0.2 2,-0.5 -0.793 37.1-156.0 -84.1 109.6 1.5 25.5 57.9 179 182 A G E -d 161 0A 11 -2,-0.8 23,-0.6 -19,-0.2 2,-0.4 -0.809 10.1-170.1 -89.0 125.8 3.2 22.2 56.8 180 183 A I E -de 162 202A 0 -19,-2.4 -17,-2.2 -2,-0.5 2,-0.3 -0.968 14.7-135.2-121.7 130.2 1.0 19.2 57.6 181 184 A R E -de 163 203A 0 21,-2.9 23,-2.8 -2,-0.4 2,-0.4 -0.649 12.2-163.3 -91.5 137.1 2.4 15.7 57.3 182 185 A I - 0 0 0 -19,-1.9 2,-0.3 -2,-0.3 26,-0.1 -0.925 31.8-111.4-109.4 140.9 0.7 12.6 55.7 183 186 A L - 0 0 39 21,-0.4 2,-0.3 -2,-0.4 -19,-0.1 -0.543 24.4-127.6 -74.8 130.6 2.1 9.2 56.4 184 187 A R - 0 0 19 -2,-0.3 24,-0.1 -20,-0.3 12,-0.1 -0.624 33.8-107.0 -72.1 133.9 3.8 7.3 53.6 185 188 A A > - 0 0 9 -2,-0.3 3,-1.7 23,-0.2 -1,-0.1 -0.294 19.0-127.6 -63.2 144.0 2.4 3.7 53.2 186 189 A S T 3 S+ 0 0 96 1,-0.3 -1,-0.1 3,-0.0 7,-0.1 0.666 109.4 57.5 -70.2 -15.9 4.7 1.0 54.3 187 190 A N T 3 S+ 0 0 114 2,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.334 78.8 119.7 -95.8 5.9 4.3 -0.8 51.0 188 191 A S < - 0 0 2 -3,-1.7 5,-0.1 1,-0.1 -140,-0.0 -0.402 65.4-139.2 -55.9 150.4 5.6 2.3 49.1 189 192 A T S S+ 0 0 64 1,-0.1 2,-1.0 -2,-0.1 -1,-0.1 0.497 82.0 95.2 -91.4 -2.5 8.8 1.5 47.1 190 193 A Y S S- 0 0 136 2,-0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.782 77.0-141.7 -92.3 99.0 10.2 4.9 48.2 191 194 A K + 0 0 103 -2,-1.0 2,-0.1 2,-0.1 -2,-0.0 -0.862 64.8 41.4-126.2 158.0 12.3 3.9 51.3 192 195 A P S S- 0 0 114 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 0.539 84.8-122.3 -67.9 158.1 13.3 4.5 53.9 193 196 A L - 0 0 65 -2,-0.1 -2,-0.1 1,-0.1 -28,-0.0 -0.412 32.4-107.9 -59.4 142.6 9.9 5.8 55.2 194 197 A P - 0 0 31 0, 0.0 2,-1.4 0, 0.0 -10,-0.2 -0.331 25.9-109.4 -68.4 155.9 10.2 9.4 56.5 195 198 A Q > - 0 0 149 -12,-0.0 3,-1.9 -2,-0.0 2,-0.1 -0.723 37.1-149.1 -84.6 90.0 10.0 10.2 60.3 196 199 A A T 3 S+ 0 0 21 -2,-1.4 7,-0.1 1,-0.3 -13,-0.0 -0.410 83.4 29.0 -56.5 127.7 6.6 11.9 60.3 197 200 A G T > S+ 0 0 16 5,-0.2 3,-2.0 -2,-0.1 -1,-0.3 0.410 77.6 132.2 100.0 -1.4 6.7 14.5 63.1 198 201 A A T < S+ 0 0 59 -3,-1.9 -2,-0.1 1,-0.3 -180,-0.0 0.553 77.3 41.0 -62.1 -13.6 10.4 15.2 62.8 199 202 A F T 3 S- 0 0 80 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.173 120.5-102.3-113.7 11.9 9.9 19.0 62.8 200 203 A G S < S+ 0 0 62 -3,-2.0 -2,-0.1 1,-0.2 3,-0.1 0.625 76.0 148.4 69.6 17.2 7.2 19.1 65.4 201 204 A E - 0 0 16 1,-0.1 -182,-0.6 -183,-0.0 -1,-0.2 -0.286 56.6 -89.6 -79.1 162.3 4.6 19.5 62.7 202 205 A E E -ae 19 180A 34 -23,-0.6 -21,-2.9 -184,-0.1 2,-0.4 -0.482 40.2-158.8 -66.2 142.8 1.0 18.2 62.7 203 206 A V E -ae 20 181A 0 -184,-2.3 -182,-2.4 -23,-0.2 2,-0.4 -0.995 17.1-123.7-128.6 129.5 0.7 14.7 61.4 204 207 A I E > -a 21 0A 2 -23,-2.8 3,-1.1 -2,-0.4 -21,-0.4 -0.574 29.9-118.0 -78.5 129.2 -2.7 13.4 60.1 205 208 A V T 3 S+ 0 0 48 -184,-2.6 -182,-0.1 -2,-0.4 -1,-0.1 -0.291 89.7 3.0 -61.7 145.7 -3.9 10.2 61.8 206 209 A N T > S+ 0 0 99 1,-0.1 3,-0.8 2,-0.1 -1,-0.2 0.722 84.6 142.8 57.7 30.8 -4.4 7.1 59.7 207 210 A S T < + 0 0 0 -3,-1.1 -1,-0.1 1,-0.2 -22,-0.1 0.275 38.4 93.9 -93.3 11.7 -3.1 8.9 56.6 208 211 A E T 3 0 0 77 -24,-0.1 -1,-0.2 -26,-0.1 -23,-0.2 0.617 360.0 360.0 -77.3 -9.5 -1.2 5.9 55.1 209 212 A Y < 0 0 131 -3,-0.8 -119,-1.7 -121,-0.1 -121,-0.2 -0.840 360.0 360.0-135.0 360.0 -4.3 5.0 53.0