==== 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 24-MAR-08 3CMN . COMPND 2 MOLECULE: PUTATIVE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROFLEXUS AURANTIACUS J-10-FL; . AUTHOR R.AGARWAL,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 298 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 79.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 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 . 8 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 58.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.0 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 1 0 0 1 1 1 0 1 1 2 0 1 0 0 0 1 0 0 1 0 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL 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 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 43 A L 0 0 63 0, 0.0 2,-0.4 0, 0.0 92,-0.2 0.000 360.0 360.0 360.0 -36.3 28.3 9.1 4.4 2 44 A I - 0 0 17 91,-0.1 2,-1.2 92,-0.1 89,-0.2 -0.969 360.0-135.8-125.3 135.0 29.0 12.8 4.6 3 45 A D >> - 0 0 43 87,-2.9 4,-1.9 -2,-0.4 3,-0.7 -0.741 23.1-174.7 -88.0 96.6 32.2 14.6 3.7 4 46 A W H 3> S+ 0 0 49 -2,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.625 78.9 57.5 -69.2 -14.5 32.5 17.0 6.7 5 47 A E H 3> S+ 0 0 156 2,-0.2 4,-1.5 3,-0.2 -1,-0.2 0.742 107.6 47.5 -87.4 -21.9 35.4 18.8 5.3 6 48 A Q H <> S+ 0 0 53 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.880 113.5 49.9 -77.8 -39.7 33.5 19.8 2.3 7 49 A A H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.931 108.2 52.4 -61.1 -47.3 30.7 20.7 4.6 8 50 A R H X S+ 0 0 71 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.913 112.0 45.4 -56.4 -47.4 33.1 22.8 6.7 9 51 A Q H X S+ 0 0 93 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.907 112.4 50.7 -63.4 -43.2 34.3 24.7 3.7 10 52 A A H X S+ 0 0 17 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.886 112.4 47.5 -61.3 -42.0 30.8 25.2 2.4 11 53 A A H X S+ 0 0 1 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.934 110.3 51.2 -65.3 -49.0 29.7 26.6 5.8 12 54 A L H X>S+ 0 0 12 -4,-2.5 5,-0.8 -5,-0.2 4,-0.5 0.877 114.9 43.7 -56.2 -40.3 32.6 28.9 6.1 13 55 A R H ><5S+ 0 0 158 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.896 113.4 47.0 -76.2 -41.5 32.0 30.4 2.7 14 56 A L H 3<5S+ 0 0 72 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.789 103.7 64.7 -72.1 -24.8 28.2 30.8 2.8 15 57 A S H 3<5S- 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.776 89.8-151.1 -67.6 -24.2 28.5 32.4 6.3 16 58 A Q T X<5 + 0 0 86 -3,-0.7 3,-1.3 -4,-0.5 4,-0.4 0.898 29.3 167.9 53.5 44.1 30.4 35.3 4.7 17 59 A W G > < + 0 0 78 -5,-0.8 3,-1.7 1,-0.3 46,-0.2 0.835 64.0 65.9 -58.0 -35.0 32.2 35.8 7.9 18 60 A E G 3 S+ 0 0 92 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.792 98.3 54.3 -59.2 -29.0 34.8 38.2 6.4 19 61 A Q G < S+ 0 0 144 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.539 110.0 46.9 -83.4 -6.8 32.1 40.7 5.8 20 62 A A S < S+ 0 0 1 -3,-1.7 43,-0.4 -4,-0.4 -1,-0.2 -0.365 70.4 164.7-134.1 58.8 30.9 40.8 9.4 21 63 A P - 0 0 74 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 -0.345 46.3-102.3 -69.6 155.3 33.9 41.1 11.7 22 64 A V - 0 0 19 38,-0.1 2,-0.4 -2,-0.0 3,-0.3 -0.644 33.4-143.4 -81.5 136.5 33.1 42.1 15.3 23 65 A D S S+ 0 0 116 -2,-0.3 5,-0.1 1,-0.2 105,-0.0 -0.809 75.1 0.8 -98.0 142.2 33.9 45.7 16.0 24 66 A N > + 0 0 101 -2,-0.4 4,-1.6 1,-0.1 -1,-0.2 0.932 66.0 177.8 45.7 67.0 35.3 46.6 19.4 25 67 A R H > S+ 0 0 89 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.914 74.7 62.5 -62.6 -40.9 35.4 43.1 20.9 26 68 A A H > S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.929 108.7 34.8 -53.2 -57.5 37.0 44.7 24.0 27 69 A F H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.804 115.0 58.0 -74.1 -21.1 34.1 46.9 25.1 28 70 A R H X S+ 0 0 27 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.905 104.6 51.4 -70.5 -37.9 31.5 44.4 23.9 29 71 A R H X S+ 0 0 93 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.896 110.1 51.0 -62.0 -40.1 33.0 41.8 26.2 30 72 A E H X S+ 0 0 135 -4,-1.5 4,-2.4 -5,-0.2 5,-0.2 0.952 110.5 48.3 -59.4 -52.2 32.7 44.4 29.0 31 73 A Q H X S+ 0 0 9 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.952 116.5 40.5 -54.8 -57.9 29.1 45.0 28.2 32 74 A Y H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.891 111.2 58.8 -60.8 -41.3 28.1 41.4 28.1 33 75 A A H X S+ 0 0 38 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.928 112.4 39.0 -55.6 -47.2 30.2 40.5 31.1 34 76 A R H X S+ 0 0 124 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.839 111.6 57.5 -74.6 -31.7 28.3 43.0 33.3 35 77 A M H X S+ 0 0 4 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.835 110.8 44.0 -67.5 -29.7 24.9 42.2 31.7 36 78 A V H X S+ 0 0 8 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.841 107.3 59.1 -80.6 -33.8 25.4 38.5 32.8 37 79 A A H < S+ 0 0 68 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.860 115.3 37.2 -60.5 -34.9 26.7 39.5 36.2 38 80 A L H X S+ 0 0 76 -4,-1.6 4,-1.7 2,-0.1 -2,-0.2 0.917 116.8 53.0 -79.0 -50.6 23.4 41.2 36.7 39 81 A S H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 5,-0.3 0.901 99.2 57.8 -52.9 -56.8 21.3 38.6 34.9 40 82 A E H X S+ 0 0 31 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.899 109.7 45.5 -46.1 -52.7 22.3 35.4 36.6 41 83 A P H > S+ 0 0 68 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.926 111.7 50.7 -58.7 -49.1 21.2 36.7 40.1 42 84 A L H X S+ 0 0 48 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.856 116.5 42.1 -58.7 -35.9 17.9 38.2 38.9 43 85 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 6,-0.2 0.906 111.4 54.0 -78.1 -41.8 17.0 34.9 37.3 44 86 A A H X>S+ 0 0 17 -4,-3.0 4,-1.2 -5,-0.3 5,-1.1 0.896 112.7 45.4 -56.6 -43.2 18.3 32.7 40.1 45 87 A D H <5S+ 0 0 140 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.904 111.9 49.2 -69.1 -45.3 16.1 34.7 42.5 46 88 A Y H <5S+ 0 0 57 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.833 121.7 35.7 -65.4 -31.4 13.0 34.6 40.4 47 89 A L H <5S- 0 0 28 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.538 100.5-132.3 -98.8 -10.1 13.3 30.8 39.8 48 90 A G T <5S+ 0 0 64 -4,-1.2 2,-0.3 -5,-0.2 -3,-0.2 0.756 73.3 94.3 65.6 23.4 14.7 30.0 43.2 49 91 A V < - 0 0 41 -5,-1.1 2,-0.3 -6,-0.2 -2,-0.2 -0.954 60.3-143.0-140.8 159.6 17.5 27.8 41.8 50 92 A R - 0 0 209 -2,-0.3 -10,-0.0 112,-0.2 3,-0.0 -0.733 28.2 -96.6-119.3 168.8 21.1 28.5 41.0 51 93 A L - 0 0 13 -2,-0.3 111,-0.1 1,-0.1 107,-0.1 -0.633 23.5-131.7 -84.6 143.5 23.4 27.3 38.3 52 94 A P S S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 110,-0.1 0.837 104.1 27.1 -61.4 -28.2 25.6 24.3 39.1 53 95 A E S S- 0 0 102 70,-0.0 69,-0.6 -3,-0.0 70,-0.1 -0.959 90.0-128.8-137.4 113.7 28.4 26.5 37.6 54 96 A P - 0 0 82 0, 0.0 2,-1.3 0, 0.0 3,-0.1 -0.278 37.9 -99.3 -59.5 147.9 28.2 30.3 37.6 55 97 A V + 0 0 18 1,-0.2 68,-0.2 -19,-0.1 -15,-0.1 -0.559 56.5 161.3 -71.6 99.2 28.8 31.9 34.2 56 98 A S + 0 0 99 66,-1.8 2,-0.3 -2,-1.3 67,-0.2 0.484 57.2 46.0 -99.8 -4.5 32.4 32.8 34.7 57 99 A R E -a 123 0A 153 65,-1.5 67,-1.4 -3,-0.1 2,-0.4 -0.983 58.1-172.0-137.8 149.4 33.3 33.2 31.0 58 100 A I E -a 124 0A 11 -2,-0.3 2,-0.4 65,-0.2 67,-0.2 -0.999 8.5-156.0-139.9 139.2 31.7 34.9 28.0 59 101 A F E -a 125 0A 54 65,-2.7 67,-2.5 -2,-0.4 2,-0.7 -0.964 7.8-153.4-120.8 133.7 32.6 34.8 24.4 60 102 A V E -a 126 0A 5 -2,-0.4 2,-0.3 65,-0.2 67,-0.2 -0.926 29.4-165.3-100.0 113.1 31.8 37.4 21.7 61 103 A F - 0 0 25 65,-3.3 67,-0.4 -2,-0.7 2,-0.2 -0.712 19.5-155.4-103.6 155.4 31.8 35.4 18.5 62 104 A D > - 0 0 14 -2,-0.3 4,-2.0 65,-0.1 5,-0.1 -0.531 49.5 -89.6-107.3-178.0 31.9 36.4 14.8 63 105 A R H > S+ 0 0 18 -43,-0.4 4,-1.9 -46,-0.2 5,-0.1 0.840 126.8 53.1 -67.0 -32.7 30.4 34.0 12.3 64 106 A R H > S+ 0 0 94 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.925 110.7 46.1 -68.2 -44.7 33.6 32.1 11.8 65 107 A E H > S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.882 109.1 55.4 -66.1 -36.6 34.2 31.5 15.5 66 108 A W H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.936 112.4 44.2 -60.5 -42.7 30.6 30.4 15.9 67 109 A L H >X S+ 0 0 4 -4,-1.9 4,-2.4 2,-0.2 3,-0.7 0.922 110.4 51.5 -66.0 -50.0 31.2 27.8 13.1 68 110 A E H 3< S+ 0 0 67 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.830 114.6 46.0 -57.5 -33.3 34.6 26.6 14.4 69 111 A A H 3< S+ 0 0 54 -4,-1.8 -1,-0.2 -5,-0.2 4,-0.2 0.666 122.2 33.2 -85.0 -18.0 33.0 26.1 17.8 70 112 A N H S+ 0 0 85 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.953 113.9 47.1 -68.4 -49.0 31.8 19.2 15.5 73 115 A S H > S+ 0 0 55 -4,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.877 113.9 51.3 -57.6 -38.0 28.7 19.2 17.8 74 116 A F H >< S+ 0 0 0 -4,-2.4 3,-1.8 2,-0.2 4,-0.3 0.967 109.1 46.9 -64.3 -56.3 26.7 19.8 14.6 75 117 A S H >< S+ 0 0 23 -4,-2.8 3,-2.9 1,-0.3 -2,-0.2 0.912 105.3 62.4 -53.5 -42.5 28.1 16.8 12.7 76 118 A Q H >< S+ 0 0 84 -4,-2.7 3,-1.5 1,-0.3 -1,-0.3 0.713 87.4 70.1 -57.9 -21.1 27.6 14.7 15.8 77 119 A L T << S+ 0 0 30 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.651 98.7 53.8 -68.9 -13.0 23.9 15.2 15.5 78 120 A F T X> S+ 0 0 8 -3,-2.9 4,-2.4 -4,-0.3 3,-0.9 0.384 77.0 98.0-100.9 0.5 24.3 13.0 12.4 79 121 A R H <> S+ 0 0 139 -3,-1.5 4,-2.1 1,-0.2 5,-0.4 0.892 78.7 57.4 -56.7 -41.5 26.0 10.1 14.2 80 122 A P H 3> S+ 0 0 35 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.795 113.9 40.7 -61.0 -25.6 22.8 8.1 14.4 81 123 A I H <> S+ 0 0 58 -3,-0.9 4,-0.6 2,-0.2 -2,-0.2 0.813 113.5 51.0 -90.4 -34.7 22.5 8.3 10.7 82 124 A E H X S+ 0 0 44 -4,-2.4 4,-0.8 2,-0.2 -3,-0.2 0.776 114.4 43.3 -75.3 -26.5 26.1 7.7 9.7 83 125 A E H >X S+ 0 0 98 -4,-2.1 4,-1.7 -5,-0.2 3,-1.2 0.935 112.3 51.9 -78.4 -53.8 26.4 4.6 11.9 84 126 A M H 3< S+ 0 0 92 -4,-0.9 -2,-0.2 -5,-0.4 -1,-0.2 0.669 105.4 60.1 -54.9 -19.1 23.0 3.3 10.7 85 127 A Y H 3< S+ 0 0 142 -4,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.858 103.0 49.2 -79.2 -37.8 24.4 3.9 7.2 86 128 A E H << 0 0 141 -3,-1.2 -2,-0.2 -4,-0.8 -3,-0.1 0.979 360.0 360.0 -62.8 -59.4 27.3 1.5 7.7 87 129 A K < 0 0 196 -4,-1.7 -1,-0.3 0, 0.0 -2,-0.1 0.214 360.0 360.0 -63.3 360.0 25.2 -1.4 9.1 88 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 89 145 A S > 0 0 111 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -51.6 27.8 12.4 -3.3 90 146 A S H > + 0 0 54 2,-0.2 -87,-2.9 1,-0.2 4,-1.5 0.758 360.0 49.3 -68.5 -20.7 29.2 12.4 0.3 91 147 A K H > S+ 0 0 109 2,-0.2 4,-2.4 -89,-0.2 -1,-0.2 0.894 108.9 48.3 -79.8 -46.3 30.6 15.6 -1.1 92 148 A L H > S+ 0 0 114 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.735 112.2 50.8 -67.9 -24.7 27.3 16.8 -2.5 93 149 A L H X S+ 0 0 57 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.922 109.3 50.5 -75.6 -46.1 25.7 16.0 0.9 94 150 A G H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 5,-0.3 0.872 107.1 54.7 -57.2 -40.5 28.4 18.0 2.6 95 151 A V H X S+ 0 0 63 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.925 112.7 42.8 -58.7 -46.1 27.8 20.9 0.3 96 152 A Q H X S+ 0 0 121 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.909 118.3 42.2 -69.4 -44.1 24.1 20.9 1.3 97 153 A I H X S+ 0 0 9 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.899 118.1 47.0 -69.4 -43.2 24.6 20.4 5.0 98 154 A G H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.3 5,-0.2 0.896 110.4 53.7 -65.3 -39.7 27.5 22.9 5.1 99 155 A G H X S+ 0 0 12 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.944 109.6 46.9 -59.6 -48.7 25.4 25.3 3.1 100 156 A L H X S+ 0 0 69 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.891 113.6 49.3 -60.6 -40.0 22.6 25.1 5.5 101 157 A L H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.892 108.5 51.6 -67.2 -40.3 25.0 25.5 8.4 102 158 A G H X S+ 0 0 0 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.866 109.8 51.9 -64.0 -33.7 26.7 28.5 6.8 103 159 A Y H >< S+ 0 0 90 -4,-2.0 3,-1.3 -5,-0.2 -2,-0.2 0.921 106.8 51.7 -66.9 -44.2 23.3 30.0 6.4 104 160 A L H >X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.3 3,-2.0 0.875 100.0 66.3 -59.2 -37.2 22.6 29.4 10.1 105 161 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.713 99.5 49.8 -59.0 -23.5 25.8 31.2 10.9 106 162 A Q T << S+ 0 0 50 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.369 118.8 37.4 -98.2 7.8 24.4 34.5 9.6 107 163 A R T <4 S+ 0 0 27 -3,-2.0 -2,-0.2 -4,-0.2 -3,-0.1 0.631 86.3 101.3-126.4 -29.0 21.3 34.3 11.6 108 164 A V < - 0 0 9 -4,-2.6 22,-0.2 1,-0.1 23,-0.1 -0.335 42.4-175.6 -64.1 139.5 22.1 32.8 15.0 109 165 A L - 0 0 16 1,-0.2 18,-2.5 21,-0.1 2,-0.3 0.742 54.9 -23.0-106.7 -33.4 22.4 35.3 17.8 110 166 A G B > S-B 126 0A 1 16,-0.2 3,-1.2 17,-0.0 4,-0.3 -0.910 80.7 -52.0-162.2-170.4 23.5 33.3 20.7 111 167 A Q T 3 S+ 0 0 35 14,-1.3 3,-0.4 -2,-0.3 15,-0.1 0.775 118.1 37.8 -44.4 -48.6 24.0 30.1 22.8 112 168 A Y T 3 S+ 0 0 7 1,-0.2 -1,-0.2 6,-0.0 3,-0.1 -0.101 77.6 106.1-106.9 39.1 20.5 28.7 22.9 113 169 A D S < S+ 0 0 14 -3,-1.2 2,-0.6 1,-0.2 -1,-0.2 0.803 80.5 50.9 -82.9 -28.3 19.0 29.4 19.4 114 170 A L S >> S- 0 0 9 -3,-0.4 3,-1.4 -4,-0.3 4,-1.3 -0.929 71.0-156.9-115.6 110.5 19.3 25.8 18.3 115 171 A S H >> S+ 0 0 4 -2,-0.6 4,-0.9 1,-0.3 3,-0.7 0.890 92.8 55.6 -49.7 -50.3 17.8 23.2 20.7 116 172 A L H 34 S+ 0 0 8 1,-0.3 -1,-0.3 120,-0.2 120,-0.0 0.724 111.0 45.9 -60.3 -21.1 19.9 20.3 19.4 117 173 A L H <4 S+ 0 0 32 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.683 106.6 59.9 -91.9 -19.9 23.0 22.3 20.1 118 174 A S H << 0 0 4 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.1 0.614 360.0 360.0 -81.2 -13.3 21.7 23.3 23.5 119 175 A A < 0 0 35 -4,-0.9 48,-0.1 51,-0.1 49,-0.0 -0.148 360.0 360.0 -49.6 360.0 21.4 19.7 24.7 120 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 121 179 A G 0 0 62 0, 0.0 3,-0.1 0, 0.0 -66,-0.0 0.000 360.0 360.0 360.0-177.5 28.1 25.2 31.5 122 180 A G + 0 0 4 -69,-0.6 -66,-1.8 1,-0.1 -65,-1.5 0.377 360.0 52.8 95.0 -4.3 30.0 28.1 33.0 123 181 A S E -a 57 0A 30 -68,-0.2 2,-0.3 -67,-0.2 -65,-0.2 -0.982 55.9-155.0-156.6 165.5 30.0 30.4 30.0 124 182 A L E -a 58 0A 0 -67,-1.4 -65,-2.7 -2,-0.3 2,-0.3 -0.989 10.4-155.2-143.6 147.3 27.9 32.1 27.3 125 183 A Y E -a 59 0A 19 -2,-0.3 -14,-1.3 -67,-0.2 2,-0.4 -0.908 1.2-161.1-124.4 155.2 28.6 33.4 23.8 126 184 A F E -aB 60 110A 0 -67,-2.5 -65,-3.3 -2,-0.3 2,-1.5 -1.000 19.3-140.7-134.6 129.0 27.0 36.0 21.7 127 185 A V >> - 0 0 0 -18,-2.5 4,-1.7 -2,-0.4 3,-1.2 -0.634 26.6-175.4 -87.6 73.9 27.4 36.4 18.0 128 186 A E H 3> S+ 0 0 8 -2,-1.5 4,-3.3 -67,-0.4 5,-0.3 0.748 72.5 63.1 -44.7 -41.4 27.6 40.2 18.2 129 187 A P H 3> S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.932 110.5 37.3 -55.1 -46.6 27.7 40.7 14.4 130 188 A N H <> S+ 0 0 3 -3,-1.2 4,-2.0 -22,-0.2 -2,-0.2 0.841 116.0 54.4 -73.1 -33.2 24.2 39.2 13.9 131 189 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.924 109.6 47.7 -63.5 -44.6 23.0 40.8 17.1 132 190 A A H X S+ 0 0 11 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.883 110.8 51.6 -64.2 -40.0 24.2 44.2 15.8 133 191 A R H X S+ 0 0 77 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.857 111.8 45.5 -67.8 -35.7 22.5 43.7 12.4 134 192 A V H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 6,-0.2 0.942 110.1 54.1 -72.0 -46.8 19.2 42.8 14.0 135 193 A Q H <>S+ 0 0 20 -4,-2.4 5,-3.2 1,-0.2 -2,-0.2 0.888 115.3 40.7 -51.6 -44.1 19.3 45.7 16.5 136 194 A Q H ><5S+ 0 0 113 -4,-1.9 3,-0.8 3,-0.2 -1,-0.2 0.831 111.1 53.8 -78.1 -34.8 19.8 48.1 13.6 137 195 A Q H 3<5S+ 0 0 144 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.799 115.0 43.9 -69.2 -26.1 17.4 46.5 11.1 138 196 A L T 3<5S- 0 0 36 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.354 109.4-122.7 -98.8 4.7 14.7 46.8 13.8 139 197 A G T < 5 + 0 0 69 -3,-0.8 -3,-0.2 1,-0.2 2,-0.2 0.897 59.6 154.5 55.6 42.7 15.7 50.3 14.9 140 198 A L < - 0 0 18 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.2 -0.528 49.4 -88.1-101.6 169.2 16.2 49.1 18.5 141 199 A S > - 0 0 50 -2,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.544 25.9-139.3 -75.8 133.2 18.3 50.4 21.3 142 200 A D H > S+ 0 0 54 -2,-0.3 4,-1.7 2,-0.2 5,-0.2 0.972 102.5 37.3 -55.4 -58.6 21.9 49.1 21.5 143 201 A E H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.932 118.5 47.8 -61.4 -50.7 21.9 48.7 25.3 144 202 A D H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 111.3 48.7 -62.0 -43.6 18.3 47.5 25.7 145 203 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.911 112.5 48.0 -65.3 -41.6 18.4 44.9 22.9 146 204 A R H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.778 112.5 48.2 -71.4 -25.6 21.7 43.3 24.2 147 205 A L H X S+ 0 0 16 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.859 110.5 53.1 -77.7 -35.7 20.4 43.2 27.7 148 206 A W H X S+ 0 0 9 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.925 111.4 46.1 -60.7 -45.3 17.3 41.6 26.3 149 207 A I H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.876 111.3 50.7 -65.5 -41.5 19.4 39.0 24.6 150 208 A T H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.924 111.5 48.4 -64.0 -43.1 21.5 38.4 27.6 151 209 A L H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.904 112.6 48.0 -62.8 -43.0 18.4 37.9 29.8 152 210 A H H X S+ 0 0 21 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.930 113.7 48.7 -63.1 -43.0 17.0 35.5 27.1 153 211 A E H X S+ 0 0 1 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.912 112.4 45.9 -62.6 -48.7 20.3 33.7 27.0 154 212 A M H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.868 107.7 58.8 -66.3 -36.0 20.7 33.3 30.8 155 213 A T H X S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.2 3,-0.3 0.965 108.2 44.6 -58.0 -51.0 17.1 32.2 31.1 156 214 A H H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.787 107.6 58.6 -64.9 -27.1 17.7 29.3 28.8 157 215 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 5,-0.3 0.903 110.0 44.6 -67.4 -39.6 21.0 28.4 30.6 158 216 A F H X>S+ 0 0 0 -4,-2.1 4,-3.3 -3,-0.3 5,-0.6 0.949 112.0 51.2 -66.7 -50.3 18.9 28.0 33.7 159 217 A E H <5S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.834 119.1 37.9 -57.6 -34.6 16.2 26.0 32.0 160 218 A F H <5S+ 0 0 6 -4,-2.1 7,-0.4 -5,-0.2 -1,-0.2 0.705 133.4 21.0 -90.5 -21.8 18.8 23.7 30.5 161 219 A E H <5S+ 0 0 25 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.648 105.8 70.0-122.0 -21.9 21.2 23.5 33.5 162 220 A A T <5S+ 0 0 13 -4,-3.3 -112,-0.2 -5,-0.3 -3,-0.2 0.744 103.8 49.7 -71.3 -21.9 19.4 24.4 36.7 163 221 A Y S > S+ 0 0 104 0, 0.0 4,-0.9 0, 0.0 3,-0.4 0.753 85.8 63.0 -49.6 -32.6 19.8 18.3 36.0 165 223 A W H 3> S+ 0 0 44 1,-0.2 4,-3.5 110,-0.2 5,-0.3 0.747 83.5 79.2 -69.3 -21.8 17.2 16.0 34.5 166 224 A V H <> S+ 0 0 0 -3,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.918 99.2 36.2 -55.2 -51.4 16.4 18.2 31.5 167 225 A R H > S+ 0 0 51 -7,-0.4 4,-3.1 -4,-0.4 -1,-0.2 0.862 117.8 52.7 -71.0 -33.9 19.4 17.3 29.3 168 226 A T H X S+ 0 0 75 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.959 113.7 43.7 -62.6 -49.5 19.3 13.6 30.5 169 227 A Y H X S+ 0 0 12 -4,-3.5 4,-2.3 2,-0.2 -2,-0.2 0.835 114.0 50.5 -64.0 -35.1 15.7 13.5 29.5 170 228 A F H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.915 111.3 47.5 -71.6 -40.9 16.4 15.3 26.3 171 229 A R H X S+ 0 0 121 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.880 110.3 54.6 -66.3 -33.7 19.2 12.9 25.5 172 230 A E H X S+ 0 0 106 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.956 106.2 50.4 -61.4 -51.4 16.8 10.1 26.4 173 231 A L H X S+ 0 0 9 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.813 109.5 51.7 -56.6 -35.0 14.1 11.3 23.9 174 232 A L H X S+ 0 0 27 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.941 109.1 48.5 -69.4 -47.6 16.7 11.5 21.1 175 233 A E H X S+ 0 0 138 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.931 110.5 54.2 -56.1 -46.2 17.9 7.9 21.7 176 234 A Q H >< S+ 0 0 115 -4,-2.6 3,-2.8 1,-0.2 -2,-0.2 0.963 105.0 51.1 -50.7 -64.6 14.2 6.9 21.7 177 235 A N H >< S+ 0 0 8 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.821 107.2 55.3 -41.5 -45.1 13.4 8.4 18.3 178 236 A F H 3< S+ 0 0 39 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.573 77.7 91.5 -71.1 -11.0 16.4 6.7 16.7 179 237 A A T << 0 0 70 -3,-2.8 -1,-0.2 -4,-0.6 -2,-0.1 0.538 360.0 360.0 -62.5 -2.6 15.3 3.2 17.8 180 238 A L < 0 0 140 -3,-0.9 -3,-0.0 -4,-0.2 0, 0.0 -0.470 360.0 360.0-150.4 360.0 13.6 3.2 14.4 181 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 182 276 A T > 0 0 92 0, 0.0 4,-2.3 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 140.2 3.8 4.9 14.1 183 277 A P H > + 0 0 104 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.695 360.0 63.1 -57.6 -13.6 2.0 6.0 17.3 184 278 A E H > S+ 0 0 140 2,-0.2 4,-1.3 1,-0.1 3,-0.2 0.940 105.2 38.7 -74.9 -52.6 5.4 5.1 18.8 185 279 A Q H > S+ 0 0 68 -3,-0.4 4,-2.3 1,-0.2 5,-0.2 0.846 113.8 58.0 -68.3 -33.4 7.5 7.6 17.0 186 280 A R H X S+ 0 0 175 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.802 100.0 56.5 -66.4 -31.4 4.7 10.2 17.4 187 281 A A H X S+ 0 0 51 -4,-0.9 4,-2.0 -5,-0.2 -1,-0.2 0.917 108.6 48.5 -65.1 -42.1 4.8 9.9 21.2 188 282 A V H X S+ 0 0 11 -4,-1.3 4,-2.7 2,-0.2 3,-0.3 0.971 113.2 45.3 -60.2 -56.5 8.5 10.8 21.0 189 283 A F H X S+ 0 0 22 -4,-2.3 4,-3.4 1,-0.2 5,-0.3 0.915 109.8 56.4 -53.7 -45.9 7.9 13.8 18.8 190 284 A D H X S+ 0 0 61 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.893 111.0 43.9 -53.1 -45.2 5.0 14.8 21.0 191 285 A R H X S+ 0 0 111 -4,-2.0 4,-2.6 -3,-0.3 -1,-0.2 0.926 114.0 47.5 -67.3 -49.2 7.3 14.9 24.0 192 286 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.924 114.9 49.2 -59.0 -43.4 10.2 16.7 22.3 193 287 A Q H X S+ 0 0 39 -4,-3.4 4,-2.3 -5,-0.3 57,-0.3 0.915 111.2 47.7 -62.8 -45.4 7.7 19.2 21.0 194 288 A A H X S+ 0 0 3 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.862 112.9 49.3 -66.5 -34.9 6.1 19.7 24.4 195 289 A L H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.956 111.5 47.7 -67.7 -50.1 9.5 20.2 26.0 196 290 A M H X S+ 0 0 8 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.908 112.9 51.2 -57.1 -40.7 10.7 22.7 23.4 197 291 A S H X S+ 0 0 12 -4,-2.3 4,-3.1 -5,-0.2 5,-0.2 0.925 111.5 44.7 -63.4 -47.3 7.4 24.5 23.8 198 292 A L H X S+ 0 0 1 -4,-2.2 4,-3.7 2,-0.2 5,-0.5 0.914 110.1 55.6 -63.9 -44.2 7.6 24.8 27.6 199 293 A I H X S+ 0 0 1 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.918 115.1 39.3 -54.9 -43.9 11.2 25.8 27.5 200 294 A E H X S+ 0 0 33 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.933 119.4 45.4 -72.1 -47.7 10.3 28.7 25.2 201 295 A G H X S+ 0 0 1 -4,-3.1 4,-1.2 2,-0.2 -2,-0.2 0.902 116.2 44.4 -63.6 -43.8 7.0 29.6 26.9 202 296 A Y H X S+ 0 0 3 -4,-3.7 4,-1.9 -5,-0.2 -1,-0.2 0.896 115.4 50.0 -68.3 -37.8 8.5 29.4 30.4 203 297 A G H X S+ 0 0 0 -4,-1.5 4,-1.4 -5,-0.5 -2,-0.2 0.882 109.6 50.0 -66.6 -38.0 11.5 31.4 29.2 204 298 A N H X S+ 0 0 14 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.722 108.9 54.6 -72.5 -20.2 9.3 34.0 27.6 205 299 A H H X S+ 0 0 19 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.879 106.0 49.0 -78.6 -40.8 7.4 34.3 30.9 206 300 A V H X>S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 5,-0.6 0.831 107.2 59.1 -66.5 -31.1 10.6 34.9 32.9 207 301 A M H X>S+ 0 0 2 -4,-1.4 4,-2.4 1,-0.2 5,-0.8 0.947 105.2 47.6 -61.6 -49.2 11.4 37.6 30.3 208 302 A N H <5S+ 0 0 37 -4,-1.4 4,-0.5 1,-0.2 -1,-0.2 0.850 117.1 43.2 -59.8 -38.0 8.2 39.5 31.0 209 303 A A H <5S+ 0 0 42 -4,-1.6 4,-0.2 3,-0.1 -1,-0.2 0.771 129.2 22.9 -82.8 -29.1 8.7 39.3 34.7 210 304 A V H X5S+ 0 0 9 -4,-2.4 4,-0.6 -5,-0.1 -3,-0.2 0.773 124.2 48.6-106.1 -36.8 12.5 40.2 34.9 211 305 A G H >X< - 0 0 4 -4,-1.7 3,-2.1 -3,-0.4 4,-0.3 -0.863 50.0-173.0-120.5 101.7 14.1 47.4 29.8 216 310 A P T 3 S+ 0 0 112 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.802 94.3 47.2 -58.4 -28.3 12.2 50.7 29.0 217 311 A S T 3> S+ 0 0 18 1,-0.2 4,-2.6 2,-0.1 5,-0.2 0.295 79.2 117.6 -95.3 10.4 12.0 49.7 25.3 218 312 A F H <> S+ 0 0 3 -3,-2.1 4,-2.5 1,-0.3 5,-0.3 0.869 75.8 45.4 -42.8 -55.6 10.7 46.2 26.3 219 313 A N H > S+ 0 0 86 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.3 0.931 112.5 53.9 -58.0 -43.7 7.3 46.6 24.6 220 314 A Q H > S+ 0 0 94 -4,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.924 110.9 44.8 -54.0 -51.4 9.1 48.0 21.6 221 315 A I H X S+ 0 0 0 -4,-2.6 4,-3.9 2,-0.2 5,-0.3 0.959 109.3 52.8 -60.2 -56.6 11.5 45.0 21.3 222 316 A E H X S+ 0 0 45 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.881 113.4 47.7 -47.9 -40.7 8.9 42.3 21.8 223 317 A Q H >< S+ 0 0 121 -4,-2.1 3,-0.8 -5,-0.3 4,-0.3 0.973 117.6 39.1 -63.7 -57.7 6.9 44.0 19.0 224 318 A Q H >< S+ 0 0 90 -4,-2.7 3,-0.5 1,-0.2 4,-0.4 0.854 114.9 52.0 -61.3 -41.5 9.9 44.3 16.6 225 319 A I H 3X S+ 0 0 3 -4,-3.9 4,-1.6 1,-0.2 3,-0.3 0.570 81.4 98.8 -76.8 -8.0 11.4 40.9 17.4 226 320 A A H S+ 0 0 133 -3,-0.5 4,-1.9 -4,-0.3 -1,-0.2 0.832 110.2 57.3 -68.6 -32.0 9.0 38.0 13.3 228 322 A R H > S+ 0 0 46 -4,-0.4 4,-1.9 -3,-0.3 -1,-0.2 0.755 105.9 52.0 -69.4 -23.7 12.6 37.1 14.2 229 323 A Q H X S+ 0 0 55 -4,-1.6 4,-1.9 -3,-0.5 -1,-0.2 0.869 106.7 51.2 -77.9 -39.8 11.2 34.7 16.8 230 324 A R H X S+ 0 0 156 -4,-1.5 4,-1.6 -5,-0.2 -2,-0.2 0.890 112.4 49.8 -61.8 -39.0 8.9 33.0 14.2 231 325 A Q H X S+ 0 0 46 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.920 106.6 52.1 -65.6 -47.4 12.1 32.6 12.2 232 326 A R H X S+ 0 0 34 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.861 109.0 52.7 -58.2 -38.0 14.2 31.1 15.0 233 327 A T H X S+ 0 0 21 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.902 108.5 49.0 -65.4 -42.5 11.5 28.5 15.5 234 328 A M H X S+ 0 0 112 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.913 113.9 45.3 -65.7 -42.4 11.4 27.5 11.9 235 329 A L H X S+ 0 0 27 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.834 110.2 54.2 -71.1 -32.4 15.2 27.1 11.7 236 330 A D H X S+ 0 0 1 -4,-2.1 4,-1.0 -5,-0.2 -120,-0.2 0.898 112.1 45.4 -66.7 -37.7 15.3 25.2 15.0 237 331 A Q H >X S+ 0 0 34 -4,-1.9 4,-2.2 1,-0.2 3,-0.6 0.917 106.9 58.9 -68.4 -44.1 12.8 22.9 13.6 238 332 A M H 3X S+ 0 0 44 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.871 102.7 54.1 -51.5 -43.0 14.8 22.7 10.3 239 333 A V H 3X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.3 0.847 106.8 51.4 -64.4 -34.6 17.8 21.4 12.3 240 334 A F H <<>S+ 0 0 0 -4,-1.0 5,-2.9 -3,-0.6 4,-0.5 0.961 112.8 43.9 -66.1 -50.2 15.6 18.6 13.8 241 335 A R H ><5S+ 0 0 80 -4,-2.2 3,-0.7 3,-0.2 -2,-0.2 0.831 108.7 58.2 -63.1 -35.9 14.4 17.4 10.4 242 336 A L H 3<5S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.913 110.8 42.9 -60.3 -43.8 17.8 17.6 8.8 243 337 A T T 3<5S- 0 0 2 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.463 133.5 -85.3 -83.8 -2.9 19.2 15.2 11.5 244 338 A G T < 5S+ 0 0 36 -3,-0.7 2,-0.6 -4,-0.5 -3,-0.2 0.643 92.9 115.9 111.8 13.1 16.2 12.9 11.2 245 339 A L < - 0 0 2 -5,-2.9 2,-2.1 -8,-0.1 -3,-0.1 -0.819 39.8-172.8-115.1 87.5 13.5 14.2 13.6 246 340 A D + 0 0 109 -2,-0.6 2,-0.1 -5,-0.2 -5,-0.1 -0.220 39.0 131.1 -78.1 50.9 10.7 15.1 11.2 247 341 A L - 0 0 3 -2,-2.1 2,-0.4 -10,-0.2 -6,-0.1 -0.266 54.4-123.4 -92.1-178.7 8.6 16.7 14.0 248 342 A K - 0 0 146 -2,-0.1 -14,-0.1 -59,-0.1 -2,-0.1 -0.962 15.6-143.3-135.3 116.0 6.9 20.1 14.0 249 343 A L - 0 0 13 -2,-0.4 2,-0.4 -16,-0.2 -56,-0.1 -0.260 28.0-107.1 -68.3 163.1 7.6 22.8 16.6 250 344 A A - 0 0 25 -57,-0.3 3,-0.1 1,-0.1 5,-0.1 -0.761 22.7-120.5 -99.1 143.1 4.8 25.0 17.8 251 345 A Q - 0 0 70 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.896 56.1 -82.5 -36.6 -92.4 4.3 28.7 16.9 252 346 A Y S S+ 0 0 59 -19,-0.0 2,-2.4 -52,-0.0 -1,-0.2 -0.920 106.5 45.1-174.1 171.3 4.4 30.7 20.1 253 347 A Q S >>S+ 0 0 54 -2,-0.3 4,-5.6 1,-0.2 5,-0.7 -0.094 94.5 89.5 70.0 -41.5 2.0 31.6 22.8 254 348 A Q H >5S+ 0 0 68 -2,-2.4 4,-0.9 1,-0.3 -1,-0.2 0.962 103.3 23.9 -45.9 -59.4 1.0 27.9 22.6 255 349 A G H >5S+ 0 0 5 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.711 128.4 50.4 -79.8 -20.4 3.7 27.2 25.2 256 350 A E H >5S+ 0 0 42 2,-0.2 4,-2.6 1,-0.1 -2,-0.2 0.858 107.7 49.8 -84.9 -38.2 3.6 30.8 26.6 257 351 A A H X5S+ 0 0 50 -4,-5.6 4,-2.7 2,-0.2 5,-0.2 0.793 106.4 59.5 -69.3 -29.5 -0.2 31.0 27.1 258 352 A F H XX S+ 0 0 40 -4,-2.7 4,-2.8 2,-0.2 3,-0.6 0.989 114.6 37.9 -55.6 -70.0 -2.6 30.7 32.1 262 356 A V H 3X>S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.3 5,-0.7 0.854 115.9 53.9 -53.6 -39.5 -1.5 28.5 35.0 263 357 A V H 3X5S+ 0 0 27 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.3 0.900 111.7 45.4 -63.3 -37.8 0.6 31.3 36.5 264 358 A A H <<5S+ 0 0 89 -4,-2.4 -2,-0.2 -3,-0.6 -1,-0.2 0.925 118.1 44.8 -67.9 -42.3 -2.5 33.5 36.5 265 359 A A H <5S- 0 0 64 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.749 139.3 -1.0 -73.6 -28.2 -4.6 30.6 37.9 266 360 A R H <5S- 0 0 117 -4,-2.9 4,-0.4 -5,-0.2 -3,-0.2 0.494 100.7-107.2-143.0 -8.6 -2.2 29.5 40.6 267 361 A G X< - 0 0 25 -4,-1.5 4,-2.2 -5,-0.7 5,-0.2 -0.174 39.7 -69.6 100.3 165.0 1.0 31.5 40.7 268 362 A I H > S+ 0 0 47 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.856 125.6 58.3 -64.0 -38.8 4.7 31.1 39.7 269 363 A Q H 4 S+ 0 0 169 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.933 109.7 43.9 -60.0 -46.1 5.4 28.6 42.6 270 364 A F H >4 S+ 0 0 14 -4,-0.4 3,-2.2 1,-0.2 -2,-0.2 0.963 113.8 50.3 -61.6 -53.0 2.7 26.2 41.3 271 365 A A H >< S+ 0 0 3 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.726 97.7 69.3 -57.3 -25.3 3.8 26.6 37.7 272 366 A S G >< S+ 0 0 45 -4,-1.8 3,-1.9 1,-0.3 -1,-0.3 0.620 76.9 83.8 -70.7 -10.8 7.4 25.9 38.8 273 367 A R G X S+ 0 0 87 -3,-2.2 3,-1.7 -4,-0.3 4,-0.4 0.717 71.1 75.9 -64.2 -20.4 6.3 22.3 39.4 274 368 A V G < S+ 0 0 1 -3,-1.4 3,-0.3 1,-0.3 -1,-0.3 0.735 91.4 57.6 -63.1 -19.2 6.9 21.6 35.7 275 369 A W G < S+ 0 0 9 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.324 82.9 82.4 -93.4 3.6 10.6 21.6 36.6 276 370 A E S < S- 0 0 106 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.825 107.8 -20.6 -78.1 -30.5 10.6 18.9 39.2 277 371 A R > - 0 0 124 -4,-0.4 3,-1.5 -3,-0.3 -1,-0.3 -0.976 65.1 -98.4-170.3 161.4 10.7 16.0 36.8 278 372 A P G > S+ 0 0 21 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.856 118.5 63.5 -57.7 -34.5 10.0 15.0 33.1 279 373 A E G 3 S+ 0 0 107 1,-0.3 -5,-0.1 -3,-0.1 0, 0.0 0.732 94.9 59.3 -62.1 -25.8 6.6 13.6 34.2 280 374 A N G < S+ 0 0 0 -3,-1.5 -1,-0.3 -6,-0.2 -5,-0.1 0.428 80.4 105.4 -85.4 0.4 5.5 17.1 35.3 281 375 A L S < S- 0 0 13 -3,-1.7 -86,-0.1 -4,-0.2 5,-0.1 -0.585 77.9-114.6 -77.7 142.8 5.9 18.5 31.8 282 376 A P - 0 0 3 0, 0.0 -84,-0.1 0, 0.0 2,-0.1 -0.362 23.0-119.2 -75.8 160.3 2.6 19.1 30.0 283 377 A S > - 0 0 38 1,-0.1 4,-1.9 -2,-0.0 5,-0.2 -0.365 37.4 -98.6 -84.6 174.9 1.7 17.1 26.9 284 378 A M H > S+ 0 0 10 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.896 129.7 53.7 -62.6 -34.3 1.0 19.1 23.8 285 379 A D H >> S+ 0 0 74 1,-0.2 4,-1.6 2,-0.2 3,-0.7 0.947 106.1 49.0 -61.8 -51.0 -2.6 18.7 24.7 286 380 A E H 34 S+ 0 0 10 1,-0.3 7,-0.3 2,-0.2 -1,-0.2 0.831 107.2 57.0 -59.9 -31.5 -2.1 20.1 28.2 287 381 A I H 3< S+ 0 0 5 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.856 108.8 46.3 -67.0 -32.5 -0.3 23.0 26.6 288 382 A R H << S+ 0 0 124 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.727 129.2 25.7 -80.3 -23.6 -3.4 23.7 24.6 289 383 A N >X - 0 0 60 -4,-1.6 3,-1.2 -5,-0.1 4,-0.7 -0.743 68.0-175.0-142.6 87.8 -5.5 23.3 27.7 290 384 A P H >> S+ 0 0 24 0, 0.0 4,-2.3 0, 0.0 3,-1.0 0.846 77.6 75.2 -51.1 -39.0 -3.6 24.2 30.9 291 385 A G H 3> S+ 0 0 43 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.866 90.7 54.9 -41.6 -49.4 -6.5 23.2 33.0 292 386 A Q H <> S+ 0 0 109 -3,-1.2 4,-2.4 1,-0.2 -1,-0.3 0.892 110.4 47.0 -53.1 -43.1 -5.8 19.5 32.4 293 387 A W H < S+ 0 0 1 -4,-2.4 3,-0.8 1,-0.2 -1,-0.3 0.840 106.4 56.1 -69.0 -30.9 -0.6 18.3 39.2 298 392 A D H 3< S+ 0 0 77 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.851 100.5 56.8 -66.0 -38.8 -3.2 18.5 42.0 299 393 A R T 3< S+ 0 0 205 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.560 92.6 95.9 -71.3 -8.3 -3.6 14.7 41.9 300 394 A E < 0 0 77 -3,-0.8 -3,-0.0 -4,-0.3 0, 0.0 -0.331 360.0 360.0 -78.8 165.3 0.1 14.4 42.6 301 395 A G 0 0 131 -2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 -0.329 360.0 360.0 105.3 360.0 1.5 14.0 46.1