==== 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 08-JUL-09 3I7A . COMPND 2 MOLECULE: PUTATIVE METAL-DEPENDENT PHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA AMAZONENSIS SB2B; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 280 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 9 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 53.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 0 2 3 3 0 2 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X > 0 0 109 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -38.8 0.7 55.0 38.2 2 2 A S H > + 0 0 92 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.854 360.0 49.8 -70.4 -37.3 -3.0 54.5 39.0 3 3 A N H > S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.864 109.6 50.9 -67.3 -39.4 -4.0 53.5 35.5 4 4 A E H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.864 109.9 52.8 -63.3 -35.8 -1.1 50.9 35.3 5 5 A H H X S+ 0 0 106 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.928 107.2 49.5 -66.1 -44.5 -2.4 49.6 38.6 6 6 A Q H X S+ 0 0 112 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.818 109.8 52.6 -65.5 -33.0 -6.0 49.2 37.3 7 7 A L H X S+ 0 0 37 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.891 109.4 48.8 -67.6 -40.3 -4.6 47.3 34.2 8 8 A L H X S+ 0 0 40 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.960 111.1 51.2 -60.1 -44.9 -2.8 45.0 36.6 9 9 A V H X S+ 0 0 59 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.905 110.6 47.9 -62.6 -42.7 -6.0 44.5 38.5 10 10 A G H X S+ 0 0 35 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.922 111.6 48.6 -66.4 -42.8 -8.1 43.7 35.4 11 11 A L H X S+ 0 0 11 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.923 111.0 52.2 -59.9 -43.1 -5.5 41.2 34.1 12 12 A L H X S+ 0 0 62 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.857 106.0 54.2 -61.6 -39.3 -5.4 39.5 37.6 13 13 A K H X S+ 0 0 125 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.919 109.3 46.8 -64.5 -41.0 -9.2 39.2 37.6 14 14 A K H <>S+ 0 0 69 -4,-1.9 5,-3.1 2,-0.2 6,-0.7 0.896 112.2 51.6 -66.6 -36.9 -9.1 37.4 34.3 15 15 A L H ><5S+ 0 0 32 -4,-2.2 3,-1.7 3,-0.2 -2,-0.2 0.974 113.0 44.6 -61.6 -52.6 -6.3 35.2 35.6 16 16 A K H 3<5S+ 0 0 157 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.837 114.5 48.2 -62.4 -37.3 -8.4 34.3 38.7 17 17 A D T 3<5S- 0 0 95 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.416 110.8-121.3 -77.0 0.6 -11.6 33.8 36.7 18 18 A D T < 5S+ 0 0 128 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.909 75.4 129.9 53.1 43.7 -9.6 31.5 34.2 19 19 A A < + 0 0 48 -5,-3.1 -4,-0.2 -6,-0.2 2,-0.2 0.357 36.9 98.8-104.8 -2.0 -10.7 33.9 31.4 20 20 A L S S- 0 0 9 -6,-0.7 2,-0.9 -5,-0.2 143,-0.1 -0.529 82.8-111.1 -81.9 161.6 -7.3 34.5 29.9 21 21 A I - 0 0 104 141,-0.3 144,-0.2 -2,-0.2 145,-0.1 -0.840 35.6-164.9 -98.9 107.5 -6.3 32.5 26.8 22 22 A L - 0 0 37 -2,-0.9 137,-0.1 -4,-0.1 170,-0.0 -0.733 27.4-102.8 -90.8 136.5 -3.7 30.1 27.8 23 23 A P - 0 0 24 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.295 30.2-121.3 -62.5 143.1 -1.6 28.5 25.0 24 24 A T - 0 0 115 1,-0.1 3,-0.1 78,-0.0 175,-0.0 -0.674 29.7-110.6 -75.7 135.7 -2.4 24.9 24.0 25 25 A L - 0 0 32 -2,-0.3 5,-0.1 1,-0.1 -1,-0.1 -0.475 47.5-100.2 -64.9 128.7 0.5 22.5 24.3 26 26 A P >> - 0 0 8 0, 0.0 4,-1.6 0, 0.0 3,-1.4 -0.261 23.8-120.9 -59.8 142.7 1.5 21.6 20.8 27 27 A E H 3> S+ 0 0 61 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.820 112.2 59.9 -48.9 -38.9 0.2 18.3 19.5 28 28 A V H 3> S+ 0 0 11 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.869 103.6 50.4 -63.1 -34.4 3.7 17.1 18.8 29 29 A A H <> S+ 0 0 0 -3,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.945 112.7 47.5 -65.2 -44.9 4.6 17.5 22.5 30 30 A X H X S+ 0 0 89 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.944 111.0 49.7 -61.6 -49.3 1.5 15.5 23.4 31 31 A R H X S+ 0 0 123 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.841 111.6 48.3 -62.2 -37.7 2.2 12.7 20.9 32 32 A V H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.937 111.1 50.6 -66.4 -46.1 5.8 12.3 22.1 33 33 A Q H X S+ 0 0 39 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.883 110.9 52.2 -55.1 -39.5 4.5 12.3 25.8 34 34 A E H < S+ 0 0 115 -4,-2.6 4,-0.5 -5,-0.2 -2,-0.2 0.922 114.0 39.4 -64.8 -43.8 2.1 9.6 24.6 35 35 A V H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.914 115.0 50.9 -76.5 -40.7 4.7 7.3 22.9 36 36 A V H 3< S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.829 104.6 59.9 -67.1 -30.0 7.4 7.8 25.6 37 37 A G T 3< S+ 0 0 65 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.669 84.0 99.9 -72.5 -19.4 4.9 6.9 28.3 38 38 A R S X S- 0 0 108 -3,-1.0 3,-0.9 -4,-0.5 -3,-0.0 -0.413 75.8-133.8 -65.2 146.8 4.2 3.5 26.8 39 39 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.600 105.6 45.7 -75.4 -14.0 6.0 0.5 28.5 40 40 A D T 3 S+ 0 0 99 -5,-0.1 2,-0.2 2,-0.1 -4,-0.1 0.106 81.9 137.1-114.1 14.9 7.1 -0.9 25.0 41 41 A S < - 0 0 23 -3,-0.9 2,-0.3 -5,-0.2 -5,-0.0 -0.451 32.7-165.3 -76.4 136.7 8.3 2.4 23.5 42 42 A S > - 0 0 48 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.771 34.6-111.4-111.6 161.0 11.5 2.4 21.5 43 43 A L H > S+ 0 0 51 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.946 119.9 53.4 -48.9 -52.5 13.8 5.1 20.2 44 44 A K H > S+ 0 0 160 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 106.8 51.3 -54.2 -46.2 12.8 4.3 16.6 45 45 A Q H > S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.872 112.0 46.8 -61.2 -39.5 9.1 4.7 17.5 46 46 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 -3,-0.2 5,-0.2 0.920 112.2 48.7 -67.6 -48.0 9.7 8.1 19.1 47 47 A A H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.840 107.6 56.5 -59.7 -36.3 11.8 9.3 16.1 48 48 A E H X S+ 0 0 118 -4,-2.4 4,-0.6 -5,-0.3 -1,-0.2 0.911 110.2 45.2 -65.9 -37.8 9.1 8.1 13.7 49 49 A I H >< S+ 0 0 26 -4,-1.4 3,-1.0 2,-0.2 4,-0.2 0.944 116.8 43.2 -67.0 -50.2 6.5 10.3 15.6 50 50 A I H >< S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.2 7,-0.5 0.886 104.7 69.0 -61.0 -36.4 8.8 13.3 15.7 51 51 A G H 3< S+ 0 0 34 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.741 82.5 71.2 -55.0 -28.3 9.7 12.6 12.1 52 52 A Q T << S+ 0 0 131 -3,-1.0 2,-0.6 -4,-0.6 -1,-0.3 0.706 90.5 65.7 -67.0 -16.5 6.3 13.6 10.9 53 53 A D <> - 0 0 57 -3,-2.2 4,-3.0 -4,-0.2 5,-0.2 -0.890 67.5-164.0-114.7 104.6 7.0 17.3 11.7 54 54 A A H > S+ 0 0 85 -2,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.842 88.1 45.0 -56.3 -45.8 9.7 18.7 9.4 55 55 A A H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 115.1 46.3 -67.9 -47.1 10.5 21.8 11.5 56 56 A I H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.958 114.0 50.2 -61.5 -48.4 10.5 20.1 14.9 57 57 A S H X S+ 0 0 11 -4,-3.0 4,-2.2 -7,-0.5 -2,-0.2 0.917 109.1 50.3 -56.4 -50.7 12.7 17.3 13.5 58 58 A A H X S+ 0 0 58 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.882 112.9 47.2 -52.2 -43.5 15.2 19.8 12.0 59 59 A R H X S+ 0 0 30 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.914 108.5 52.7 -70.7 -40.6 15.5 21.7 15.3 60 60 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.911 108.2 53.1 -64.1 -37.4 16.0 18.5 17.4 61 61 A I H X S+ 0 0 41 -4,-2.2 4,-1.8 1,-0.2 14,-0.2 0.920 109.4 48.6 -58.9 -46.3 18.8 17.5 15.1 62 62 A K H X S+ 0 0 92 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.895 113.0 47.3 -60.1 -42.3 20.5 20.9 15.7 63 63 A V H >< S+ 0 0 1 -4,-2.5 3,-1.1 2,-0.2 6,-0.5 0.926 110.5 52.0 -65.9 -42.6 20.0 20.5 19.4 64 64 A A H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.839 112.3 46.9 -61.8 -32.4 21.4 16.9 19.3 65 65 A N H 3< S+ 0 0 49 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.502 95.6 101.0 -89.6 -3.5 24.5 18.3 17.4 66 66 A S S XX S- 0 0 4 -3,-1.1 4,-2.1 -4,-0.5 3,-1.7 -0.272 94.1 -96.3 -73.9 166.0 25.0 21.2 19.8 67 67 A A T 34 S+ 0 0 30 1,-0.3 -1,-0.1 2,-0.2 204,-0.1 0.721 119.7 69.8 -50.1 -25.9 27.6 21.4 22.6 68 68 A L T 34 S+ 0 0 7 -5,-0.2 -1,-0.3 203,-0.2 -4,-0.1 0.840 120.1 11.1 -66.2 -31.3 24.9 20.2 25.0 69 69 A Y T <4 S+ 0 0 35 -3,-1.7 2,-0.4 -6,-0.5 -2,-0.2 0.470 119.7 59.6-125.8 -7.9 24.7 16.7 23.5 70 70 A S < + 0 0 20 -4,-2.1 -1,-0.2 -7,-0.2 -5,-0.0 -0.981 19.9 155.6-142.8 133.9 27.7 16.3 21.2 71 71 A R S S+ 0 0 252 -2,-0.4 2,-0.1 2,-0.1 -1,-0.1 -0.040 80.2 47.9-120.3 19.2 31.4 16.4 21.1 72 72 A G S S- 0 0 50 1,-0.2 -2,-0.1 -7,-0.0 0, 0.0 -0.285 99.0 -16.5-137.9-147.8 31.5 14.1 18.0 73 73 A V S S- 0 0 115 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 -0.451 72.9-103.3 -71.1 139.7 30.2 13.3 14.5 74 74 A P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.358 26.1-118.3 -63.1 138.3 27.0 15.1 13.6 75 75 A A - 0 0 8 -14,-0.2 -10,-0.1 1,-0.1 3,-0.1 -0.637 25.1-165.2 -65.2 136.7 23.7 13.2 13.6 76 76 A E + 0 0 153 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 0.293 64.9 27.3-110.7 0.4 22.4 13.3 10.0 77 77 A N S > S- 0 0 75 1,-0.1 4,-1.9 -16,-0.1 5,-0.1 -0.963 86.5 -99.2-157.6 170.5 18.8 12.3 10.6 78 78 A I H > S+ 0 0 29 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.857 116.9 55.3 -68.9 -34.5 16.1 12.3 13.3 79 79 A N H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 109.7 45.9 -65.4 -44.1 16.7 8.7 14.4 80 80 A S H > S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.886 114.3 50.3 -58.6 -43.5 20.4 9.3 15.1 81 81 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.932 112.2 45.8 -64.2 -45.7 19.5 12.6 16.9 82 82 A V H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.877 111.7 52.9 -64.6 -37.0 16.9 10.9 19.1 83 83 A T H < S+ 0 0 70 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.939 110.3 47.6 -65.7 -43.4 19.3 8.0 19.8 84 84 A R H < S+ 0 0 80 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.875 114.0 45.7 -65.7 -38.9 22.0 10.5 20.9 85 85 A I H < S- 0 0 6 -4,-2.2 4,-0.2 -5,-0.2 -2,-0.2 0.925 108.2-141.6 -70.4 -44.6 19.6 12.5 23.2 86 86 A G >X - 0 0 19 -4,-2.6 4,-2.2 -5,-0.2 3,-1.0 0.156 19.6 -84.1 97.0 151.8 18.2 9.3 24.7 87 87 A L T 34 S+ 0 0 62 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.703 124.2 53.2 -60.3 -25.8 14.8 8.0 25.8 88 88 A T T 34 S+ 0 0 130 1,-0.1 -1,-0.3 -3,-0.1 4,-0.2 0.714 119.3 32.9 -87.2 -18.7 15.0 9.6 29.2 89 89 A Q T <> S+ 0 0 40 -3,-1.0 4,-1.8 -4,-0.2 -2,-0.2 0.648 96.6 81.6-109.8 -16.2 15.8 13.0 27.8 90 90 A I H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.836 83.2 61.9 -67.4 -34.5 13.8 13.2 24.6 91 91 A K H > S+ 0 0 92 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.951 110.7 38.3 -57.8 -51.5 10.4 14.1 26.0 92 92 A S H > S+ 0 0 16 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.853 116.4 52.5 -72.4 -30.5 11.5 17.4 27.5 93 93 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.935 112.1 45.3 -66.1 -45.5 13.8 18.2 24.6 94 94 A A H X S+ 0 0 1 -4,-3.2 4,-1.6 2,-0.2 -2,-0.2 0.938 115.2 48.4 -63.0 -44.8 10.9 17.7 22.1 95 95 A T H < S+ 0 0 6 -4,-2.5 4,-0.5 -5,-0.3 -2,-0.2 0.919 110.3 51.5 -60.3 -45.5 8.6 19.7 24.3 96 96 A S H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 4,-0.5 0.902 110.5 47.6 -53.7 -47.6 11.2 22.4 24.6 97 97 A V H >< S+ 0 0 5 -4,-2.2 3,-0.6 1,-0.3 4,-0.4 0.775 103.6 63.0 -70.2 -26.4 11.6 22.7 20.9 98 98 A A T 3< S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.611 88.2 74.4 -72.2 -12.9 7.8 22.7 20.5 99 99 A X T X> S+ 0 0 0 -3,-1.2 3,-2.5 -4,-0.5 4,-0.8 0.867 78.7 71.1 -68.4 -36.5 7.7 26.0 22.4 100 100 A E G X4 S+ 0 0 70 -3,-0.6 3,-1.3 -4,-0.5 -1,-0.2 0.887 90.1 60.0 -51.4 -43.3 9.1 28.2 19.6 101 101 A Q G 34 S+ 0 0 93 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.716 99.5 58.4 -63.9 -16.8 5.8 27.9 17.6 102 102 A L G <4 S+ 0 0 36 -3,-2.5 2,-2.2 -4,-0.2 -1,-0.3 0.776 85.5 78.7 -82.7 -22.0 3.9 29.5 20.5 103 103 A F S << S+ 0 0 14 -3,-1.3 2,-0.4 -4,-0.8 -1,-0.2 -0.424 70.2 127.0 -85.6 62.8 5.9 32.8 20.5 104 104 A I + 0 0 116 -2,-2.2 2,-0.3 -3,-0.1 -3,-0.0 -0.988 28.2 168.5-125.5 133.7 4.1 34.3 17.4 105 105 A S - 0 0 17 -2,-0.4 10,-0.0 6,-0.1 -2,-0.0 -0.973 17.8-173.1-138.2 132.4 2.4 37.6 17.0 106 106 A T + 0 0 125 -2,-0.3 2,-0.7 4,-0.0 -1,-0.0 0.152 63.4 101.4 -96.7 11.7 1.2 39.1 13.7 107 107 A N >> - 0 0 46 1,-0.1 4,-2.5 2,-0.0 3,-2.0 -0.879 64.1-152.1-108.5 114.1 0.3 42.4 15.4 108 108 A E T 34 S+ 0 0 137 -2,-0.7 4,-0.4 1,-0.3 -1,-0.1 0.765 93.0 59.7 -61.6 -25.2 2.9 45.1 14.9 109 109 A X T 34 S+ 0 0 71 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.676 121.2 26.4 -75.0 -10.8 2.1 46.9 18.2 110 110 A V T X> S+ 0 0 0 -3,-2.0 4,-2.1 2,-0.1 3,-0.8 0.630 95.7 84.8-121.0 -30.7 3.0 43.7 20.1 111 111 A W H 3X S+ 0 0 111 -4,-2.5 4,-2.4 1,-0.3 -3,-0.1 0.721 85.7 61.7 -64.4 -19.6 5.4 41.6 18.0 112 112 A E H 3> S+ 0 0 102 -4,-0.4 4,-2.0 2,-0.2 -1,-0.3 0.932 107.5 43.1 -68.0 -44.7 8.5 43.6 19.3 113 113 A V H <> S+ 0 0 2 -3,-0.8 4,-2.7 2,-0.2 5,-0.3 0.930 113.1 53.6 -66.4 -42.1 7.8 42.5 22.9 114 114 A X H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.930 108.3 49.1 -54.0 -48.2 7.1 39.0 21.6 115 115 A D H X S+ 0 0 85 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.880 110.4 52.0 -61.2 -37.9 10.4 38.9 19.9 116 116 A E H X S+ 0 0 38 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.951 110.5 46.5 -65.6 -45.7 12.2 40.2 23.1 117 117 A V H X S+ 0 0 13 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.915 114.9 46.7 -69.5 -37.5 10.7 37.4 25.3 118 118 A W H X S+ 0 0 34 -4,-2.4 4,-2.0 -5,-0.3 5,-0.2 0.961 113.3 50.2 -62.8 -48.1 11.5 34.7 22.8 119 119 A R H X S+ 0 0 150 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.864 113.7 42.8 -53.6 -45.6 15.1 36.1 22.3 120 120 A T H X S+ 0 0 35 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.841 107.8 61.9 -78.0 -28.4 15.9 36.2 26.0 121 121 A S H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.950 110.6 38.9 -56.0 -49.8 14.2 32.8 26.5 122 122 A I H X S+ 0 0 9 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.936 116.9 50.9 -67.7 -45.1 16.9 31.2 24.2 123 123 A D H X S+ 0 0 29 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.888 111.7 45.3 -60.3 -47.3 19.7 33.3 25.5 124 124 A V H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.928 113.1 51.7 -63.2 -45.0 19.1 32.5 29.1 125 125 A T H X S+ 0 0 1 -4,-1.8 4,-2.9 -5,-0.3 -2,-0.2 0.919 110.8 48.5 -58.3 -45.6 18.6 28.8 28.3 126 126 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.939 115.2 42.3 -62.7 -50.3 21.9 28.7 26.5 127 127 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.945 115.7 50.8 -64.9 -40.6 23.9 30.5 29.2 128 128 A A H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.946 111.7 46.2 -62.7 -48.1 22.2 28.4 31.9 129 129 A C H X S+ 0 0 0 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.867 110.3 53.0 -62.6 -40.6 22.9 25.1 30.2 130 130 A S H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.899 109.9 49.7 -60.9 -40.0 26.5 26.0 29.6 131 131 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.888 108.0 53.3 -64.1 -38.2 26.9 26.8 33.3 132 132 A L H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.876 104.0 56.3 -67.1 -35.9 25.3 23.5 34.3 133 133 A Q H X S+ 0 0 43 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.951 112.1 42.2 -59.4 -47.9 27.8 21.6 32.1 134 134 A I H >X S+ 0 0 42 -4,-1.6 4,-1.6 2,-0.2 3,-0.6 0.945 115.6 49.3 -60.9 -51.5 30.7 23.2 34.0 135 135 A Y H 3X S+ 0 0 28 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.911 108.7 51.8 -57.4 -46.0 29.0 22.8 37.4 136 136 A N H 3< S+ 0 0 27 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.758 104.8 57.9 -65.4 -23.9 28.2 19.0 36.8 137 137 A K H << S+ 0 0 185 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.900 114.7 36.6 -68.4 -42.0 31.8 18.4 35.9 138 138 A K H < S+ 0 0 158 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.738 130.6 33.6 -78.6 -23.8 32.8 19.8 39.3 139 139 A H S >< S- 0 0 60 -4,-2.1 3,-1.1 -5,-0.2 -1,-0.2 -0.474 76.7-177.8-134.5 61.0 29.8 18.3 41.1 140 140 A P T 3 S+ 0 0 104 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.197 71.4 38.5 -60.2 154.2 29.0 15.0 39.4 141 141 A G T 3 S+ 0 0 85 3,-0.1 -5,-0.0 -5,-0.1 0, 0.0 0.619 71.6 132.9 75.4 12.7 25.9 13.3 40.9 142 142 A S < - 0 0 42 -3,-1.1 3,-0.1 -6,-0.1 -1,-0.1 0.738 62.9-136.6 -64.6 -21.5 24.1 16.7 41.4 143 143 A G + 0 0 54 1,-0.2 2,-0.6 -7,-0.1 -1,-0.1 0.540 59.7 134.8 73.5 3.0 20.9 15.1 39.9 144 144 A L - 0 0 15 -12,-0.1 2,-0.3 79,-0.1 -1,-0.2 -0.789 44.1-151.8 -87.0 120.0 20.4 18.3 37.8 145 145 A N > - 0 0 82 -2,-0.6 4,-2.2 1,-0.1 5,-0.2 -0.708 16.9-136.8-102.7 142.1 19.5 17.2 34.2 146 146 A Y H > S+ 0 0 53 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.816 103.8 53.2 -62.1 -37.1 20.1 19.1 30.9 147 147 A D H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 110.1 46.9 -66.1 -44.4 16.8 18.4 29.4 148 148 A T H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.933 113.4 48.9 -61.6 -46.2 14.9 19.7 32.5 149 149 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.901 110.1 51.8 -60.5 -44.0 17.0 22.8 32.6 150 150 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.943 111.9 46.5 -55.5 -49.1 16.4 23.4 28.8 151 151 A L H X S+ 0 0 10 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.935 111.1 50.9 -61.0 -46.5 12.7 23.1 29.3 152 152 A A H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 3,-0.3 0.917 112.3 48.9 -57.8 -44.3 12.7 25.5 32.3 153 153 A G H >< S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.2 4,-0.4 0.928 110.9 48.0 -64.4 -41.9 14.6 28.0 30.3 154 154 A L H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.704 119.5 38.1 -80.6 -11.8 12.4 27.8 27.3 155 155 A V H >< S+ 0 0 0 -4,-1.6 3,-2.2 -3,-0.3 4,-0.3 0.398 84.1 100.4-108.5 0.3 9.1 28.2 29.4 156 156 A H T << S+ 0 0 0 -4,-1.0 3,-0.2 -3,-0.5 -2,-0.1 0.796 95.4 34.1 -61.5 -26.2 10.4 30.7 32.0 157 157 A N T > S+ 0 0 1 -4,-0.4 3,-2.4 1,-0.1 4,-0.4 0.194 83.1 113.6-104.3 15.2 8.7 33.5 30.0 158 158 A I T X + 0 0 0 -3,-2.2 3,-1.3 1,-0.3 -2,-0.1 0.808 67.0 68.9 -58.9 -23.9 5.7 31.4 28.9 159 159 A G T 3> S+ 0 0 0 -4,-0.3 4,-0.6 29,-0.3 -1,-0.3 0.621 84.3 70.8 -71.9 -12.7 3.4 33.6 31.0 160 160 A A H <> S+ 0 0 0 -3,-2.4 4,-2.4 1,-0.2 3,-0.3 0.782 83.3 73.5 -67.1 -28.6 4.0 36.6 28.7 161 161 A L H <> S+ 0 0 8 -3,-1.3 4,-2.5 -4,-0.4 5,-0.2 0.937 94.4 46.3 -63.4 -45.7 1.9 34.9 26.0 162 162 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -141,-0.3 0.824 111.9 53.1 -65.4 -28.0 -1.5 35.4 27.5 163 163 A V H X S+ 0 0 3 -4,-0.6 4,-2.6 -3,-0.3 -2,-0.2 0.927 110.3 46.8 -65.9 -44.7 -0.7 39.1 28.3 164 164 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.877 109.2 54.8 -66.1 -36.4 0.3 39.7 24.7 165 165 A T H X S+ 0 0 53 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.937 109.5 47.3 -60.4 -45.4 -2.8 37.9 23.6 166 166 A E H X S+ 0 0 12 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.918 109.6 53.2 -63.3 -39.2 -4.9 40.4 25.7 167 167 A A H < S+ 0 0 15 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.891 108.3 51.5 -65.5 -36.4 -2.9 43.3 24.3 168 168 A E H < S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.867 113.7 42.4 -61.4 -39.1 -3.8 42.2 20.8 169 169 A A H < S+ 0 0 62 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.693 121.5 40.6 -83.5 -19.9 -7.5 41.9 21.5 170 170 A H >< + 0 0 56 -4,-1.6 3,-1.9 -5,-0.2 4,-0.4 -0.504 58.0 160.1-132.4 65.7 -7.7 45.2 23.5 171 171 A P G > S+ 0 0 65 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.763 70.0 71.8 -61.6 -25.4 -5.6 47.8 21.8 172 172 A E G 3 S+ 0 0 140 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.581 94.7 54.7 -63.2 -13.1 -7.5 50.6 23.7 173 173 A X G < S+ 0 0 81 -3,-1.9 2,-0.3 -6,-0.2 -1,-0.2 0.515 85.4 101.9 -97.3 -13.2 -5.8 49.6 26.9 174 174 A F < + 0 0 56 -3,-1.2 3,-0.1 -4,-0.4 -65,-0.0 -0.562 36.1 160.9 -65.1 131.1 -2.4 50.0 25.4 175 175 A T - 0 0 70 1,-0.5 2,-0.3 -2,-0.3 -1,-0.2 0.630 66.2 -13.6-112.7 -66.8 -0.7 53.2 26.4 176 176 A T > - 0 0 60 1,-0.1 4,-2.0 0, 0.0 -1,-0.5 -0.905 57.8-116.7-135.6 162.5 3.0 52.6 25.7 177 177 A I H > S+ 0 0 49 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.873 116.9 57.5 -68.4 -33.3 5.2 49.6 24.8 178 178 A E H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 105.1 50.3 -64.2 -38.4 7.1 50.2 28.0 179 179 A H H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.929 110.3 50.8 -64.9 -38.9 3.8 49.8 30.0 180 180 A L H X S+ 0 0 13 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.955 109.8 48.8 -61.6 -46.5 3.2 46.6 28.2 181 181 A R H X S+ 0 0 49 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.918 112.3 49.9 -57.4 -43.3 6.7 45.3 29.0 182 182 A S H X S+ 0 0 22 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.922 110.1 48.3 -65.2 -42.9 6.2 46.2 32.6 183 183 A L H X S+ 0 0 31 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.927 110.5 53.8 -62.7 -42.0 2.8 44.4 32.8 184 184 A V H X S+ 0 0 4 -4,-3.0 4,-2.1 -5,-0.2 -2,-0.2 0.969 110.3 45.4 -56.3 -51.8 4.4 41.4 31.2 185 185 A R H < S+ 0 0 139 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.885 115.1 48.5 -61.8 -35.9 7.2 41.2 33.8 186 186 A K H < S+ 0 0 125 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.833 123.5 28.5 -73.8 -33.2 4.7 41.8 36.7 187 187 A X H X S+ 0 0 7 -4,-2.3 4,-2.3 -5,-0.2 5,-0.3 0.550 93.8 88.5-109.2 -4.9 2.2 39.1 35.6 188 188 A Q H X S+ 0 0 11 -4,-2.1 4,-2.3 -5,-0.3 -29,-0.3 0.800 87.0 54.6 -69.6 -29.8 4.2 36.5 33.8 189 189 A G H > S+ 0 0 9 -4,-0.4 4,-2.5 -5,-0.2 -1,-0.2 0.983 113.5 38.1 -64.1 -57.9 5.0 34.5 36.9 190 190 A P H > S+ 0 0 59 0, 0.0 4,-1.4 0, 0.0 -2,-0.2 0.882 121.3 45.8 -64.0 -34.7 1.5 34.0 38.1 191 191 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.927 110.1 54.1 -72.0 -41.3 0.2 33.5 34.6 192 192 A G H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.3 5,-0.3 0.914 106.0 54.9 -57.9 -39.8 3.1 31.1 33.7 193 193 A R H X S+ 0 0 114 -4,-2.5 4,-2.1 1,-0.2 -1,-0.3 0.923 108.4 46.7 -56.9 -43.7 2.1 29.1 36.7 194 194 A A H X S+ 0 0 27 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.878 111.1 52.8 -71.7 -34.6 -1.5 28.8 35.4 195 195 A V H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 3,-0.4 0.982 111.5 45.7 -59.2 -51.8 -0.2 27.9 31.9 196 196 A L H <>S+ 0 0 0 -4,-3.0 5,-2.3 1,-0.3 4,-0.3 0.804 109.8 53.6 -69.7 -30.8 2.0 25.1 33.4 197 197 A K H ><5S+ 0 0 65 -4,-2.1 3,-1.0 -5,-0.3 -1,-0.3 0.890 106.2 53.3 -65.0 -37.4 -0.9 23.8 35.6 198 198 A S H 3<5S+ 0 0 71 -4,-1.9 -2,-0.2 -3,-0.4 -1,-0.2 0.832 113.8 43.6 -64.9 -29.3 -3.1 23.5 32.5 199 199 A W T 3<5S- 0 0 29 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.384 108.2-127.3 -92.3 0.1 -0.2 21.4 30.9 200 200 A D T < 5 + 0 0 147 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.912 44.4 176.9 50.9 45.5 0.3 19.4 34.1 201 201 A F < - 0 0 25 -5,-2.3 -1,-0.1 1,-0.1 5,-0.0 -0.346 37.6 -84.0 -74.5 164.1 4.1 20.2 34.1 202 202 A A >> - 0 0 45 1,-0.1 4,-2.0 -2,-0.1 3,-0.9 -0.342 34.0-120.9 -70.5 146.3 6.4 18.9 36.9 203 203 A P H 3> S+ 0 0 104 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.826 110.2 61.9 -55.2 -33.3 6.6 21.1 40.1 204 204 A E H 3> S+ 0 0 90 1,-0.2 4,-1.0 2,-0.2 21,-0.1 0.857 109.0 41.1 -67.0 -32.6 10.4 21.6 39.7 205 205 A V H <> S+ 0 0 5 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.870 111.9 56.1 -77.3 -42.2 9.8 23.4 36.4 206 206 A X H X S+ 0 0 27 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.887 103.6 56.2 -52.4 -40.1 6.8 25.3 37.8 207 207 A E H X S+ 0 0 81 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.912 106.5 47.8 -62.8 -43.1 9.0 26.6 40.5 208 208 A V H X S+ 0 0 2 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.956 112.5 49.6 -59.8 -48.7 11.5 28.1 38.1 209 209 A V H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 4,-0.2 0.879 117.9 40.2 -59.4 -40.1 8.6 29.7 36.1 210 210 A E H < S+ 0 0 65 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.854 128.7 24.3 -76.4 -37.7 7.1 31.2 39.2 211 211 A R H >< S+ 0 0 76 -4,-2.5 3,-1.5 -5,-0.2 -2,-0.2 0.373 82.3 104.3-118.3 3.0 10.2 32.3 41.2 212 212 A W T 3< S+ 0 0 13 -4,-2.0 -1,-0.1 1,-0.3 -3,-0.1 0.862 95.9 35.6 -60.4 -36.6 13.1 32.9 38.8 213 213 A A T 3 S+ 0 0 49 -4,-0.2 2,-1.4 -5,-0.2 -1,-0.3 0.336 89.4 104.7 -96.5 6.0 12.8 36.7 39.0 214 214 A D X - 0 0 54 -3,-1.5 3,-1.8 1,-0.2 -1,-0.1 -0.678 54.5-172.4 -87.4 85.9 11.7 36.6 42.7 215 215 A L T 3 S+ 0 0 50 -2,-1.4 -1,-0.2 1,-0.3 -4,-0.0 0.863 76.3 50.1 -58.6 -46.8 15.1 37.8 44.1 216 216 A P T 3 S+ 0 0 124 0, 0.0 2,-0.6 0, 0.0 -1,-0.3 0.662 96.9 89.0 -68.4 -8.6 14.6 37.5 47.8 217 217 A Y < + 0 0 78 -3,-1.8 2,-0.3 -6,-0.2 -3,-0.1 -0.788 48.9 137.2 -91.0 121.8 13.4 33.9 47.1 218 218 A L - 0 0 51 -2,-0.6 4,-0.1 4,-0.0 -6,-0.0 -0.838 41.0-133.2-164.8 124.9 16.2 31.3 47.1 219 219 A G - 0 0 40 -2,-0.3 4,-0.1 2,-0.2 -2,-0.0 -0.189 27.1-107.9 -79.4 172.9 16.2 27.8 48.5 220 220 A D S S+ 0 0 147 2,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.812 99.6 55.7 -76.4 -29.9 19.0 26.3 50.6 221 221 A H S S- 0 0 157 1,-0.0 -2,-0.2 0, 0.0 2,-0.1 -0.804 91.4-107.2-110.2 147.3 20.1 23.9 47.9 222 222 A V + 0 0 30 -2,-0.3 2,-0.2 32,-0.2 -2,-0.1 -0.437 54.3 148.3 -66.2 131.6 21.3 24.7 44.4 223 223 A S >> - 0 0 43 -2,-0.1 4,-1.1 -4,-0.1 3,-0.7 -0.808 62.6 -58.9-144.3-159.2 18.7 23.7 41.8 224 224 A Y H >> S+ 0 0 6 1,-0.3 4,-1.9 -2,-0.2 3,-0.6 0.898 125.1 62.1 -54.8 -40.7 17.4 24.7 38.4 225 225 A L H 3> S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.868 95.9 57.5 -53.4 -46.1 16.4 28.1 39.6 226 226 A D H <> S+ 0 0 3 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.902 109.4 46.9 -54.7 -39.7 20.0 29.1 40.5 227 227 A F H S+ 0 0 0 -4,-2.5 6,-2.1 2,-0.2 5,-1.0 0.868 111.3 45.4 -58.7 -41.2 19.3 36.0 33.5 233 233 A F H ><5S+ 0 0 6 -4,-2.2 3,-1.1 4,-0.2 -2,-0.2 0.960 113.4 50.1 -65.2 -48.4 21.7 38.3 35.3 234 234 A Y H 3<5S+ 0 0 67 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.905 115.1 42.4 -58.4 -43.0 24.5 37.4 32.9 235 235 A T H 3<5S- 0 0 33 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.549 113.7-113.0 -85.1 -5.2 22.4 38.0 29.9 236 236 A G T <<5S+ 0 0 40 -3,-1.1 -3,-0.2 -4,-0.6 -4,-0.1 0.424 83.7 121.2 88.9 -0.3 20.8 41.2 31.1 237 237 A E S - 0 0 23 -2,-0.5 3,-2.4 -7,-0.2 -1,-0.1 0.481 18.5-174.7-124.5 -7.7 21.5 44.7 38.1 241 241 A G G > S+ 0 0 70 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 -0.171 74.8 3.1 49.8-126.0 23.5 47.8 37.1 242 242 A N G 3 S+ 0 0 166 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.629 130.5 64.0 -57.9 -18.0 26.5 48.4 39.4 243 243 A E G <> + 0 0 87 -3,-2.4 4,-3.0 1,-0.2 5,-0.3 0.317 64.2 111.0 -94.7 7.7 25.6 45.3 41.3 244 244 A L H <> S+ 0 0 63 -3,-1.4 4,-2.5 1,-0.3 5,-0.3 0.926 83.1 42.0 -52.5 -61.5 26.2 42.7 38.6 245 245 A E H > S+ 0 0 138 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.827 115.6 52.8 -51.6 -38.7 29.3 41.1 40.2 246 246 A Q H > S+ 0 0 133 -4,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.921 109.3 47.0 -64.2 -46.5 27.6 41.3 43.6 247 247 A R H >X S+ 0 0 107 -4,-3.0 4,-0.7 -3,-0.3 3,-0.6 0.924 114.8 47.1 -64.8 -39.8 24.4 39.5 42.5 248 248 A L H 3X S+ 0 0 9 -4,-2.5 4,-2.2 -5,-0.3 3,-0.4 0.773 100.0 68.0 -72.7 -24.9 26.4 36.8 40.8 249 249 A D H 3X S+ 0 0 62 -4,-1.5 4,-3.0 -5,-0.3 -1,-0.2 0.833 89.2 63.8 -67.6 -29.9 28.7 36.4 43.8 250 250 A V H << S+ 0 0 70 -4,-1.0 4,-0.4 -3,-0.6 -1,-0.3 0.939 110.4 40.8 -52.9 -42.3 25.7 35.0 45.8 251 251 A F H ><>S+ 0 0 5 -4,-0.7 5,-2.3 -3,-0.4 3,-0.9 0.864 108.1 57.9 -79.1 -35.1 25.9 32.2 43.2 252 252 A V H ><5S+ 0 0 47 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.966 107.2 50.9 -54.0 -49.6 29.7 32.0 43.1 253 253 A K T 3<5S+ 0 0 159 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.590 105.7 55.7 -66.3 -14.8 29.5 31.3 46.9 254 254 A R T < 5S- 0 0 63 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.362 127.8 -97.1 -95.7 1.5 26.9 28.5 46.3 255 255 A G T < 5S+ 0 0 24 -3,-2.2 -3,-0.2 -4,-0.3 -2,-0.1 0.424 76.8 139.8 101.2 -0.8 29.2 26.7 43.9 256 256 A L < - 0 0 4 -5,-2.3 2,-2.2 -8,-0.1 -1,-0.3 -0.589 58.8-122.6 -76.0 138.4 28.0 28.0 40.5 257 257 A P S S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 -0.394 72.6 119.4 -76.7 65.0 30.8 28.9 38.0 258 258 A V + 0 0 3 -2,-2.2 -6,-0.2 -10,-0.2 -7,-0.1 0.029 28.7 127.7-121.7 30.1 29.7 32.5 37.5 259 259 A S S > S- 0 0 22 -3,-0.1 4,-2.1 1,-0.1 5,-0.3 -0.389 78.2-102.5 -69.6 161.3 32.9 34.5 38.6 260 260 A P H > S+ 0 0 67 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.912 125.3 52.6 -55.3 -37.1 34.1 37.0 36.0 261 261 A E H 4 S+ 0 0 141 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.899 107.8 49.2 -64.3 -43.3 36.8 34.5 35.1 262 262 A D H >4 S+ 0 0 53 1,-0.2 3,-1.5 2,-0.2 6,-0.4 0.892 109.0 52.0 -61.2 -41.6 34.4 31.6 34.5 263 263 A L H 3< S+ 0 0 20 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.667 110.0 51.6 -77.2 -13.0 32.1 33.7 32.3 264 264 A G T 3< S+ 0 0 50 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.419 89.0 110.1 -95.7 -1.5 35.2 34.6 30.3 265 265 A S S <> S- 0 0 35 -3,-1.5 4,-2.5 -4,-0.3 5,-0.2 -0.348 73.4-128.4 -79.2 153.8 36.3 31.0 29.7 266 266 A D H > S+ 0 0 116 2,-0.2 4,-2.6 1,-0.2 5,-0.5 0.885 110.2 62.0 -60.3 -40.2 36.3 29.1 26.5 267 267 A A H > S+ 0 0 65 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.919 112.2 35.9 -54.2 -46.7 34.5 26.3 28.3 268 268 A F H > S+ 0 0 1 -6,-0.4 4,-2.8 2,-0.1 -2,-0.2 0.971 120.7 44.8 -69.0 -53.4 31.5 28.7 29.1 269 269 A L H X S+ 0 0 44 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.882 109.9 52.6 -65.6 -41.4 31.5 30.7 25.8 270 270 A D H X S+ 0 0 102 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.943 115.8 40.3 -63.9 -45.4 31.9 27.9 23.4 271 271 A S H X S+ 0 0 10 -4,-1.0 4,-2.8 -5,-0.5 5,-0.3 0.924 113.5 54.8 -68.3 -44.3 29.0 25.9 24.8 272 272 A Y H X S+ 0 0 22 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.953 112.6 43.4 -51.1 -51.6 26.9 29.1 25.3 273 273 A H H X S+ 0 0 101 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.894 113.3 49.7 -66.7 -40.9 27.3 30.0 21.6 274 274 A S H X S+ 0 0 40 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.893 114.1 44.9 -64.8 -42.3 26.7 26.5 20.3 275 275 A I H X S+ 0 0 1 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.953 114.1 50.1 -68.9 -45.9 23.4 26.0 22.3 276 276 A K H >X S+ 0 0 53 -4,-2.6 3,-1.2 -5,-0.3 4,-0.6 0.932 110.8 48.4 -55.2 -50.8 22.2 29.5 21.4 277 277 A A H >< S+ 0 0 45 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.845 102.2 65.4 -59.3 -31.6 22.9 28.9 17.7 278 278 A S H 3< S+ 0 0 5 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.737 105.8 42.3 -64.9 -23.5 21.0 25.6 17.9 279 279 A Y H << 0 0 4 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.472 360.0 360.0 -98.9 -6.7 17.8 27.4 18.7 280 280 A E << 0 0 131 -3,-0.9 -3,-0.0 -4,-0.6 0, 0.0 -0.436 360.0 360.0 -95.6 360.0 18.2 30.2 16.2