==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JAN-02 1KWS . COMPND 2 MOLECULE: BETA-1,3-GLUCURONYLTRANSFERASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.C.PEDERSEN,T.A.DARDEN,M.NEGISHI . 495 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 46 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 0 4 2 2 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 4 6 0 2 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 . 2 0 2 0 0 0 2 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 75 A M 0 0 63 0, 0.0 2,-0.3 0, 0.0 103,-0.2 0.000 360.0 360.0 360.0 107.3 -1.7 1.0 4.5 2 76 A T E -a 104 0A 41 101,-0.8 103,-2.0 30,-0.1 2,-0.5 -0.546 360.0-141.6 -76.7 135.6 0.2 -1.3 6.9 3 77 A I E -ab 105 32A 0 28,-2.6 30,-3.0 -2,-0.3 2,-0.8 -0.870 6.4-154.3-100.0 124.3 3.7 -0.3 8.0 4 78 A Y E -ab 106 33A 16 101,-3.5 103,-3.0 -2,-0.5 2,-0.7 -0.879 10.5-159.0 -99.6 108.7 6.2 -3.1 8.4 5 79 A V E -ab 107 34A 0 28,-2.0 30,-3.5 -2,-0.8 2,-0.7 -0.805 2.1-156.4 -92.1 113.7 8.9 -2.0 10.8 6 80 A V E +ab 108 35A 0 101,-3.6 103,-1.2 -2,-0.7 30,-0.2 -0.814 17.2 176.4 -94.2 115.9 12.1 -4.0 10.4 7 81 A T E - b 0 36A 0 28,-2.6 30,-2.5 -2,-0.7 2,-0.3 -0.924 17.5-158.7-127.4 111.6 14.1 -4.0 13.6 8 82 A P E + b 0 37A 10 0, 0.0 103,-0.7 0, 0.0 2,-0.3 -0.640 23.1 175.4 -83.0 144.8 17.4 -5.9 14.2 9 83 A T E - b 0 38A 2 28,-2.3 30,-2.6 -2,-0.3 2,-0.3 -0.990 14.0-170.4-148.7 153.3 18.2 -6.4 17.8 10 84 A Y - 0 0 100 -2,-0.3 2,-0.3 28,-0.2 30,-0.1 -0.973 34.4 -92.4-144.2 155.5 20.8 -8.2 19.9 11 85 A A + 0 0 71 28,-0.4 2,-0.3 -2,-0.3 3,-0.1 -0.515 61.1 127.6 -74.1 131.5 21.3 -9.1 23.5 12 86 A R S > S- 0 0 59 -2,-0.3 3,-1.8 1,-0.1 4,-0.4 -0.899 73.2 -79.9-169.3 164.2 23.3 -6.7 25.7 13 87 A L T 3 S+ 0 0 58 -2,-0.3 3,-0.4 1,-0.3 4,-0.4 0.862 127.3 40.9 -43.6 -51.9 22.6 -5.0 29.0 14 88 A V T 3> S+ 0 0 11 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.550 86.2 102.0 -80.2 -2.8 20.3 -2.2 27.6 15 89 A Q H <> S+ 0 0 4 -3,-1.8 4,-2.7 1,-0.2 5,-0.3 0.880 82.0 44.4 -47.6 -53.6 18.4 -4.5 25.1 16 90 A K H > S+ 0 0 36 -3,-0.4 4,-2.3 -4,-0.4 -1,-0.2 0.918 112.5 52.0 -61.5 -43.2 15.2 -5.0 27.1 17 91 A A H > S+ 0 0 0 -4,-0.4 4,-2.3 1,-0.2 5,-0.2 0.933 112.4 47.3 -56.9 -45.4 15.0 -1.3 28.1 18 92 A E H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.931 113.3 46.1 -61.3 -49.4 15.4 -0.4 24.4 19 93 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.800 110.2 57.2 -65.9 -28.6 12.8 -2.9 23.2 20 94 A V H X S+ 0 0 10 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.979 111.8 37.6 -68.0 -54.4 10.5 -1.7 26.0 21 95 A R H X S+ 0 0 13 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.912 119.4 49.5 -66.1 -36.8 10.4 1.9 25.0 22 96 A L H X S+ 0 0 8 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.956 112.4 46.5 -64.8 -49.1 10.4 1.1 21.3 23 97 A S H X S+ 0 0 13 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.877 112.3 52.2 -61.5 -34.2 7.6 -1.4 21.7 24 98 A Q H < S+ 0 0 11 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.899 110.2 47.4 -69.1 -36.8 5.7 1.1 23.7 25 99 A T H >< S+ 0 0 4 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.930 111.6 51.2 -67.6 -43.4 6.1 3.8 21.0 26 100 A L H >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.757 96.8 66.9 -65.7 -25.7 5.0 1.3 18.4 27 101 A S T 3< S+ 0 0 41 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.657 93.4 63.5 -70.3 -11.0 1.8 0.4 20.3 28 102 A L T < S+ 0 0 35 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.600 90.5 80.9 -85.6 -12.2 0.8 4.0 19.6 29 103 A V S < S- 0 0 13 -3,-1.6 3,-0.4 -4,-0.2 2,-0.1 -0.838 72.0-141.8-103.9 126.0 0.7 3.4 15.9 30 104 A P S S+ 0 0 75 0, 0.0 -27,-0.2 0, 0.0 -2,-0.1 -0.473 81.1 21.2 -81.4 155.0 -2.3 1.7 14.1 31 105 A R S S+ 0 0 133 1,-0.2 -28,-2.6 -2,-0.1 2,-0.4 0.943 88.6 143.7 54.6 53.0 -1.8 -0.8 11.2 32 106 A L E -b 3 0A 10 -3,-0.4 25,-0.6 -30,-0.2 2,-0.5 -0.989 34.8-165.9-128.5 129.0 1.8 -1.5 12.2 33 107 A H E -bc 4 57A 10 -30,-3.0 -28,-2.0 -2,-0.4 2,-0.5 -0.962 15.5-146.3-115.3 115.8 3.4 -4.9 11.9 34 108 A W E -bc 5 58A 0 23,-2.7 25,-2.3 -2,-0.5 2,-1.0 -0.722 7.7-163.7 -88.5 121.8 6.7 -5.3 13.8 35 109 A L E -bc 6 59A 0 -30,-3.5 -28,-2.6 -2,-0.5 2,-0.7 -0.797 14.2-172.9-103.5 88.0 9.4 -7.5 12.2 36 110 A L E -bc 7 60A 0 23,-1.2 25,-2.7 -2,-1.0 2,-0.7 -0.762 1.9-167.7 -88.5 112.5 11.7 -8.0 15.2 37 111 A V E -bc 8 61A 0 -30,-2.5 -28,-2.3 -2,-0.7 2,-0.3 -0.887 7.5-150.3-106.5 111.1 14.9 -9.9 14.0 38 112 A E E -bc 9 62A 3 23,-2.6 25,-2.7 -2,-0.7 2,-1.4 -0.583 11.8-140.7 -81.0 137.1 17.1 -11.2 16.7 39 113 A D + 0 0 44 -30,-2.6 -28,-0.4 -2,-0.3 2,-0.3 -0.789 68.1 102.1 -92.8 87.6 20.8 -11.5 16.1 40 114 A A S S- 0 0 21 -2,-1.4 -2,-0.0 23,-0.1 4,-0.0 -0.969 87.1 -98.5-160.5 173.1 21.1 -14.9 17.9 41 115 A E S S- 0 0 195 -2,-0.3 23,-0.1 1,-0.2 21,-0.1 0.684 102.8 -22.6 -73.1 -20.6 21.3 -18.7 17.6 42 116 A G S S- 0 0 26 21,-0.1 -1,-0.2 19,-0.1 21,-0.1 -0.956 97.0 -48.8-175.0 171.8 17.6 -19.0 18.2 43 117 A P - 0 0 67 0, 0.0 19,-0.1 0, 0.0 -2,-0.0 -0.270 56.6-136.6 -57.3 141.0 14.7 -17.1 19.8 44 118 A T > - 0 0 35 1,-0.1 4,-3.0 -4,-0.0 5,-0.3 -0.755 12.0-128.2-100.6 148.0 15.5 -15.8 23.3 45 119 A P H > S+ 0 0 112 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.891 109.5 56.9 -60.1 -37.2 13.1 -16.0 26.2 46 120 A L H > S+ 0 0 29 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.962 114.8 33.9 -58.9 -54.7 13.6 -12.3 26.8 47 121 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.915 117.8 53.1 -69.3 -43.3 12.6 -11.2 23.3 48 122 A S H X S+ 0 0 44 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.911 113.1 45.8 -58.0 -42.7 9.9 -13.9 22.9 49 123 A G H X S+ 0 0 39 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.920 111.1 50.7 -67.4 -44.7 8.4 -12.8 26.2 50 124 A L H X S+ 0 0 19 -4,-2.2 4,-1.1 -5,-0.3 -2,-0.2 0.933 111.9 48.7 -59.6 -45.3 8.5 -9.1 25.4 51 125 A L H >X S+ 0 0 1 -4,-2.8 3,-0.8 1,-0.2 4,-0.7 0.946 110.0 50.5 -60.4 -49.2 6.8 -9.7 22.1 52 126 A A H 3< S+ 0 0 78 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.869 116.3 41.6 -57.3 -39.3 4.0 -11.8 23.5 53 127 A A H 3< S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.579 96.3 81.8 -85.0 -10.2 3.3 -9.2 26.2 54 128 A S H << S- 0 0 21 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.794 84.5-141.3 -66.3 -31.5 3.6 -6.2 23.8 55 129 A G < + 0 0 79 -4,-0.7 2,-0.1 -3,-0.4 -1,-0.1 0.525 57.8 132.1 79.6 5.5 0.1 -6.5 22.4 56 130 A L - 0 0 24 -5,-0.5 2,-0.6 1,-0.1 -1,-0.3 -0.440 68.8-109.2 -88.5 162.3 1.6 -5.6 19.0 57 131 A L E +c 33 0A 71 -25,-0.6 -23,-2.7 -2,-0.1 2,-0.3 -0.826 61.6 155.6 -85.8 124.4 1.1 -7.3 15.7 58 132 A F E -c 34 0A 33 -2,-0.6 36,-2.8 -25,-0.2 2,-0.4 -0.957 45.5-147.8-150.7 167.8 4.5 -8.9 15.1 59 133 A T E -cD 35 93A 0 -25,-2.3 -23,-1.2 -2,-0.3 2,-0.6 -0.985 24.8-142.7-138.1 122.2 6.6 -11.6 13.4 60 134 A H E +cD 36 92A 5 32,-2.6 31,-3.1 -2,-0.4 32,-0.8 -0.810 24.9 179.0 -92.9 122.4 9.6 -12.9 15.3 61 135 A L E -cD 37 90A 0 -25,-2.7 -23,-2.6 -2,-0.6 2,-0.3 -0.822 10.0-159.7-120.7 161.2 12.6 -13.6 13.1 62 136 A V E +c 38 0A 29 27,-0.5 2,-0.3 -2,-0.3 -23,-0.2 -0.978 19.7 149.3-148.8 133.1 16.1 -14.9 13.9 63 137 A V - 0 0 38 -25,-2.7 2,-0.3 -2,-0.3 -23,-0.1 -0.922 34.8-127.2-161.1 133.9 19.5 -14.8 12.2 64 138 A L - 0 0 96 -2,-0.3 -25,-0.1 -25,-0.2 -2,-0.0 -0.601 23.7-120.9 -86.6 141.9 23.1 -14.7 13.5 65 139 A T 0 0 45 -2,-0.3 -1,-0.1 1,-0.2 7,-0.0 -0.701 360.0 360.0 -79.8 124.5 25.6 -12.1 12.3 66 140 A P 0 0 150 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.888 360.0 360.0 -70.2 360.0 28.6 -14.0 10.7 67 ! 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 68 152 A W 0 0 281 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.7 37.5 -3.7 8.5 69 153 A V - 0 0 70 120,-0.1 122,-0.0 121,-0.1 0, 0.0 -0.676 360.0-148.9 -83.6 139.5 34.1 -2.1 8.3 70 154 A H - 0 0 145 -2,-0.3 -1,-0.1 2,-0.0 119,-0.0 -0.584 15.6-166.4-112.0 69.5 31.8 -3.5 11.0 71 155 A P - 0 0 41 0, 0.0 2,-0.4 0, 0.0 118,-0.0 -0.248 9.5-148.4 -54.0 138.8 28.3 -3.4 9.4 72 156 A R + 0 0 157 1,-0.1 -2,-0.0 2,-0.1 0, 0.0 -0.939 64.8 0.7-120.1 136.5 25.5 -3.9 12.0 73 157 A G S > S+ 0 0 9 -2,-0.4 4,-2.7 -66,-0.1 5,-0.2 0.508 84.6 125.8 73.2 6.5 22.1 -5.5 11.5 74 158 A V H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.964 74.5 42.6 -60.1 -57.9 22.6 -6.3 7.8 75 159 A E H > S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.885 115.7 51.7 -57.1 -40.7 21.8 -10.0 8.0 76 160 A Q H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.931 111.4 45.8 -63.7 -46.1 18.9 -9.3 10.3 77 161 A R H X S+ 0 0 11 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.926 113.0 49.4 -64.1 -44.2 17.4 -6.7 7.9 78 162 A N H X S+ 0 0 20 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.799 107.2 57.4 -64.5 -27.4 17.9 -8.9 4.8 79 163 A K H X S+ 0 0 45 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.913 104.8 49.2 -69.0 -42.2 16.2 -11.7 6.8 80 164 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.891 112.0 50.5 -63.0 -38.1 13.1 -9.6 7.3 81 165 A L H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.925 107.6 52.4 -64.8 -44.5 13.2 -8.8 3.5 82 166 A D H <>S+ 0 0 40 -4,-2.4 5,-2.3 1,-0.2 6,-0.3 0.913 110.3 49.0 -56.5 -44.5 13.5 -12.6 2.7 83 167 A W H ><5S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 5,-0.4 0.902 109.2 50.7 -62.5 -43.7 10.4 -13.2 4.9 84 168 A L H 3<5S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.820 108.4 55.8 -63.5 -29.1 8.5 -10.5 3.2 85 169 A R T 3<5S- 0 0 36 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.207 126.3 -99.2 -89.4 15.0 9.6 -12.1 -0.1 86 170 A G T < 5S+ 0 0 57 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.704 88.0 121.4 79.1 23.2 8.1 -15.5 0.8 87 171 A R < - 0 0 135 -5,-2.3 -4,-0.2 1,-0.3 -3,-0.1 0.302 61.7-144.3-100.3 11.5 11.2 -17.3 2.0 88 172 A G + 0 0 30 -5,-0.4 -1,-0.3 -6,-0.3 -3,-0.1 -0.104 44.3 151.5 61.6-160.3 9.8 -18.0 5.5 89 173 A G + 0 0 36 1,-0.3 -27,-0.5 -6,-0.1 2,-0.3 0.502 24.4 148.6 111.1 8.8 11.8 -18.0 8.7 90 174 A A E +D 61 0A 33 5,-0.3 -1,-0.3 1,-0.1 -29,-0.2 -0.589 21.8 178.4 -79.7 133.8 9.2 -16.9 11.3 91 175 A V E - 0 0 74 -31,-3.1 2,-0.3 -2,-0.3 -30,-0.2 0.379 70.0 -0.5-111.1 -0.8 9.7 -18.4 14.8 92 176 A G E S+D 60 0A 25 -32,-0.8 -32,-2.6 2,-0.1 -1,-0.3 -0.960 103.7 28.2-176.7 163.5 6.7 -16.6 16.3 93 177 A G E S+D 59 0A 38 -2,-0.3 2,-0.5 -34,-0.2 -34,-0.3 -0.369 111.9 6.6 73.3-154.9 3.9 -14.2 15.7 94 178 A E - 0 0 97 -36,-2.8 -2,-0.1 1,-0.2 -3,-0.1 -0.482 66.3-167.6 -65.2 114.5 2.3 -13.9 12.2 95 179 A K + 0 0 59 -2,-0.5 -5,-0.3 -36,-0.1 -1,-0.2 0.797 62.8 67.0 -75.8 -31.0 4.0 -16.7 10.3 96 180 A D S S- 0 0 138 -8,-0.0 -12,-0.1 1,-0.0 -13,-0.0 -0.801 74.1-136.0-102.8 133.6 2.9 -15.7 6.8 97 181 A P - 0 0 33 0, 0.0 -13,-0.1 0, 0.0 -2,-0.1 -0.295 41.6 -79.9 -76.4 163.3 4.0 -12.5 4.9 98 182 A P - 0 0 17 0, 0.0 3,-0.1 0, 0.0 -12,-0.1 -0.348 55.1-111.6 -61.1 141.9 1.6 -10.3 2.9 99 183 A P > - 0 0 87 0, 0.0 3,-1.6 0, 0.0 -14,-0.0 -0.385 45.8 -77.2 -75.0 157.8 0.9 -11.8 -0.5 100 184 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -15,-0.0 -0.138 119.6 38.4 -49.5 148.8 2.2 -10.1 -3.6 101 185 A G T 3 S+ 0 0 74 1,-0.3 2,-0.1 -3,-0.1 75,-0.0 0.308 81.8 138.2 91.2 -10.5 0.2 -7.1 -4.6 102 186 A T < - 0 0 39 -3,-1.6 2,-0.4 74,-0.1 -1,-0.3 -0.454 52.6-128.4 -70.6 140.1 -0.4 -6.0 -1.0 103 187 A Q + 0 0 64 -2,-0.1 -101,-0.8 73,-0.1 2,-0.3 -0.766 54.0 111.8 -91.3 133.6 -0.1 -2.3 -0.4 104 188 A G E -a 2 0A 1 -2,-0.4 72,-2.4 -103,-0.2 2,-0.4 -0.978 53.2-111.6-179.7 178.4 2.2 -1.3 2.5 105 189 A V E -aE 3 175A 0 -103,-2.0 -101,-3.5 -2,-0.3 2,-0.5 -0.989 16.5-143.1-135.4 141.8 5.5 0.3 3.5 106 190 A V E -aE 4 174A 0 68,-3.7 68,-2.6 -2,-0.4 2,-0.4 -0.909 17.9-174.6-107.8 130.8 8.7 -1.1 4.9 107 191 A Y E -a 5 0A 0 -103,-3.0 -101,-3.6 -2,-0.5 2,-1.0 -0.989 19.1-144.1-127.9 128.2 10.6 0.9 7.5 108 192 A F E +a 6 0A 0 64,-0.5 2,-0.7 -2,-0.4 -101,-0.2 -0.764 25.3 178.0 -96.1 97.0 14.0 -0.0 8.9 109 193 A A - 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0 0 85 -7,-2.7 2,-0.3 1,-0.4 -6,-0.1 0.151 62.6 -26.1-129.5 16.7 17.4 18.7 -5.2 154 238 A G E -K 146 0C 20 -8,-0.6 -8,-3.5 53,-0.1 -1,-0.4 -0.918 66.2 -97.0 157.9 178.9 20.3 17.9 -2.9 155 239 A F E -K 145 0C 41 -10,-0.3 2,-1.0 -2,-0.3 12,-0.0 -0.975 11.6-137.1-134.0 145.7 21.2 16.9 0.6 156 240 A H E +K 144 0C 20 -12,-3.6 -12,-1.6 -2,-0.4 2,-0.3 -0.870 62.5 121.5 -96.7 99.4 22.3 18.6 3.8 157 241 A T - 0 0 22 -2,-1.0 -2,-0.1 -14,-0.2 3,-0.1 -0.964 38.6-179.7-154.6 164.9 25.0 16.2 4.9 158 242 A A + 0 0 25 -2,-0.3 2,-0.1 -20,-0.2 -19,-0.1 0.521 59.6 86.7-136.6 -46.3 28.8 16.2 5.6 159 243 A W S S- 0 0 98 -21,-0.6 4,-0.2 1,-0.2 -1,-0.1 -0.399 110.1 -10.4 -65.4 135.1 29.9 12.7 6.5 160 244 A E S > S- 0 0 74 1,-0.1 3,-1.5 -2,-0.1 -1,-0.2 0.884 71.3-173.1 36.8 69.6 30.8 10.5 3.5 161 245 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.610 72.4 77.4 -65.2 -12.8 29.5 12.9 0.8 162 246 A S T 3 + 0 0 84 3,-0.1 -2,-0.1 2,-0.0 -3,-0.0 0.637 67.4 111.6 -72.7 -14.1 30.1 10.3 -1.9 163 247 A R < - 0 0 7 -3,-1.5 32,-0.0 -4,-0.2 31,-0.0 -0.419 64.1-148.6 -63.1 123.8 27.0 8.4 -0.8 164 248 A P S S+ 0 0 60 0, 0.0 -1,-0.2 0, 0.0 31,-0.0 0.836 101.6 33.1 -63.7 -27.0 24.3 8.7 -3.6 165 249 A F S S- 0 0 2 2,-0.1 2,-2.4 41,-0.0 33,-0.2 -0.769 75.4-176.2-125.8 82.6 21.8 8.5 -0.7 166 250 A P + 0 0 4 0, 0.0 2,-0.4 0, 0.0 -7,-0.1 -0.379 45.0 117.2 -79.9 64.4 23.5 10.3 2.2 167 251 A V - 0 0 4 -2,-2.4 30,-0.2 27,-0.1 31,-0.1 -0.988 66.4-111.2-133.0 140.9 20.6 9.5 4.6 168 252 A D > - 0 0 19 -2,-0.4 3,-2.7 -25,-0.2 4,-0.1 -0.246 34.5-105.6 -68.2 157.8 20.5 7.4 7.8 169 253 A M G > S+ 0 0 2 1,-0.3 3,-0.7 2,-0.1 -61,-0.4 0.827 123.1 54.0 -48.7 -36.9 18.6 4.1 7.9 170 254 A A G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -63,-0.1 -2,-0.1 0.524 92.4 76.5 -79.8 -4.8 15.9 5.9 9.9 171 255 A G G < S+ 0 0 0 -3,-2.7 -39,-1.8 -37,-0.1 2,-0.3 0.256 94.5 35.6 -93.9 14.7 15.5 8.6 7.3 172 256 A F E < - F 0 131A 0 -3,-0.7 -64,-0.5 -41,-0.2 2,-0.3 -0.979 54.9-153.2-157.2 166.5 13.5 6.7 4.6 173 257 A A E - F 0 130A 0 -43,-1.6 -43,-2.1 -2,-0.3 2,-0.4 -0.973 15.2-141.4-142.9 153.6 10.8 4.1 3.9 174 258 A V E -EF 106 129A 0 -68,-2.6 -68,-3.7 -2,-0.3 -45,-0.2 -0.958 21.8-112.5-124.6 137.1 10.2 1.9 1.0 175 259 A A E > -E 105 0A 4 -47,-2.9 4,-1.6 -2,-0.4 3,-0.5 -0.448 24.7-134.7 -65.2 130.0 6.9 0.8 -0.7 176 260 A L H > S+ 0 0 2 -72,-2.4 4,-2.0 1,-0.2 3,-0.3 0.901 104.0 53.8 -53.9 -47.1 6.4 -3.0 -0.2 177 261 A P H > S+ 0 0 58 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.871 106.1 54.6 -57.9 -35.3 5.4 -3.6 -3.8 178 262 A L H > S+ 0 0 31 -3,-0.5 4,-0.8 1,-0.2 -2,-0.2 0.886 107.0 50.2 -65.7 -38.5 8.7 -2.0 -4.9 179 263 A L H < S+ 0 0 2 -4,-1.6 3,-0.4 -3,-0.3 6,-0.2 0.893 112.1 46.1 -67.3 -40.3 10.7 -4.3 -2.7 180 264 A L H < S+ 0 0 46 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.811 112.0 52.8 -71.2 -29.0 9.0 -7.4 -4.1 181 265 A D H < S+ 0 0 111 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.622 109.2 51.8 -80.2 -13.9 9.4 -6.0 -7.6 182 266 A K >< + 0 0 81 -4,-0.8 3,-1.8 -3,-0.4 -1,-0.3 -0.656 66.0 170.8-123.6 73.2 13.1 -5.6 -7.0 183 267 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.760 77.3 56.1 -53.3 -32.3 14.3 -9.0 -5.7 184 268 A N T 3 S+ 0 0 130 -3,-0.1 2,-0.5 19,-0.1 -5,-0.1 0.657 80.2 110.6 -77.6 -16.2 17.9 -8.1 -5.8 185 269 A A < + 0 0 0 -3,-1.8 2,-0.3 -6,-0.2 15,-0.1 -0.476 44.1 121.1 -65.8 112.1 17.3 -5.1 -3.5 186 270 A Q - 0 0 85 -2,-0.5 2,-0.3 13,-0.4 17,-0.1 -0.950 66.1 -77.6-159.8 171.2 19.0 -5.9 -0.2 187 271 A F - 0 0 1 -2,-0.3 2,-0.7 -113,-0.2 10,-0.1 -0.623 40.4-132.0 -83.5 138.6 21.6 -4.4 2.1 188 272 A D > - 0 0 64 8,-0.4 3,-1.5 -2,-0.3 11,-0.1 -0.801 12.0-165.1 -95.2 112.6 25.3 -5.0 1.2 189 273 A S T 3 S+ 0 0 63 -2,-0.7 -1,-0.1 1,-0.3 -120,-0.1 0.643 90.3 57.9 -69.0 -13.8 27.4 -6.3 4.0 190 274 A T T 3 S+ 0 0 113 6,-0.1 -1,-0.3 2,-0.0 -121,-0.1 0.440 81.4 114.7 -95.7 -0.3 30.5 -5.4 2.0 191 275 A A S < S- 0 0 11 -3,-1.5 3,-0.1 1,-0.1 5,-0.1 -0.390 75.7 -94.4 -73.1 146.5 29.7 -1.7 1.6 192 276 A P > - 0 0 73 0, 0.0 3,-2.8 0, 0.0 4,-0.3 -0.125 56.1 -77.9 -56.6 156.1 31.9 1.0 3.2 193 277 A R T 3 S+ 0 0 70 1,-0.3 -124,-0.0 2,-0.1 -33,-0.0 -0.367 125.5 19.7 -56.0 123.8 30.9 2.3 6.7 194 278 A G T 3 S+ 0 0 11 -3,-0.1 4,-0.3 -2,-0.0 -1,-0.3 0.207 103.1 85.6 97.7 -16.8 28.1 4.7 5.7 195 279 A H <> + 0 0 31 -3,-2.8 4,-1.7 1,-0.2 -7,-0.2 0.220 57.4 101.8-102.7 14.5 27.1 3.3 2.3 196 280 A L H > S+ 0 0 24 -4,-0.3 4,-0.7 2,-0.2 -8,-0.4 0.941 81.7 47.8 -62.6 -48.2 24.8 0.7 3.7 197 281 A E H >> S+ 0 0 15 -3,-0.2 4,-2.2 1,-0.2 3,-1.1 0.915 111.1 50.6 -60.8 -44.4 21.6 2.7 3.0 198 282 A S H 3> S+ 0 0 6 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.833 98.7 67.5 -63.6 -30.9 22.7 3.4 -0.6 199 283 A S H 3< S+ 0 0 18 -4,-1.7 -13,-0.4 2,-0.2 -1,-0.2 0.783 112.7 31.4 -61.9 -26.3 23.5 -0.3 -1.2 200 284 A L H X< S+ 0 0 0 -3,-1.1 3,-1.8 -4,-0.7 4,-0.3 0.896 119.0 50.2 -92.3 -57.4 19.7 -1.0 -0.9 201 285 A L H >X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.3 3,-1.8 0.758 97.0 68.5 -53.9 -33.6 18.2 2.2 -2.3 202 286 A S T 3< S+ 0 0 69 -4,-2.3 -1,-0.3 1,-0.3 -3,-0.1 0.739 99.6 51.7 -61.8 -21.2 20.3 2.3 -5.5 203 287 A H T <4 S+ 0 0 96 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.532 116.5 41.7 -88.8 -8.2 18.4 -0.8 -6.7 204 288 A L T <4 S- 0 0 12 -3,-1.8 2,-0.3 -4,-0.3 -2,-0.2 0.813 119.5 -18.2-108.0 -41.2 15.1 1.0 -6.0 205 289 A V < - 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