==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAR-13 4JS2 . COMPND 2 MOLECULE: BETA-GALACTOSIDE ALPHA-2,6-SIALYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.KUHN,J.BENZ,M.GREIF,A.M.ENGEL,H.SOBEK,M.G.RUDOLPH . 318 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.8 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 . 1 0.3 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 . 17 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 25.5 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+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 4 0 2 1 0 0 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 0 1 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 PARALLEL BRIDGES PER LADDER . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 89 A P 0 0 174 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-159.6 -19.0 41.3 63.7 2 90 A E - 0 0 177 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.950 360.0-105.0-125.5 138.7 -17.3 41.8 60.3 3 91 A A - 0 0 75 -2,-0.4 2,-0.8 1,-0.1 0, 0.0 -0.328 24.8-154.2 -57.8 127.8 -14.2 43.9 59.4 4 92 A S + 0 0 124 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.818 38.5 139.4-105.4 90.0 -15.1 47.1 57.5 5 93 A F - 0 0 52 -2,-0.8 2,-0.8 2,-0.0 298,-0.1 -0.993 48.7-122.1-138.8 144.8 -12.0 47.9 55.4 6 94 A Q + 0 0 187 -2,-0.4 2,-0.2 297,-0.0 3,-0.1 -0.719 34.5 161.6 -93.4 108.8 -11.4 49.2 51.9 7 95 A V - 0 0 29 -2,-0.8 251,-0.1 1,-0.2 292,-0.1 -0.626 61.1 -45.4-102.2 175.4 -9.4 47.2 49.5 8 96 A W - 0 0 24 249,-0.3 2,-0.7 -2,-0.2 -1,-0.2 -0.094 58.5-127.2 -49.3 128.3 -9.5 47.7 45.7 9 97 A N > - 0 0 84 1,-0.1 3,-1.8 -3,-0.1 -1,-0.1 -0.701 10.0-151.4 -83.7 112.3 -13.0 48.2 44.4 10 98 A K T 3 S+ 0 0 79 -2,-0.7 -1,-0.1 1,-0.3 283,-0.1 0.594 92.9 49.0 -56.4 -16.4 -13.6 45.8 41.5 11 99 A D T 3 S+ 0 0 119 213,-0.0 -1,-0.3 2,-0.0 275,-0.1 0.086 75.9 150.4-119.2 23.2 -16.1 48.1 39.8 12 100 A S < - 0 0 11 -3,-1.8 2,-0.2 273,-0.1 277,-0.1 -0.171 21.7-175.8 -54.5 147.5 -14.2 51.4 39.9 13 101 A S > - 0 0 28 211,-0.1 3,-1.7 212,-0.1 4,-0.1 -0.782 46.3 -91.0-136.1 176.8 -15.0 53.9 37.1 14 102 A S G > S+ 0 0 7 1,-0.3 3,-2.2 -2,-0.2 11,-0.1 0.860 124.5 65.4 -57.1 -35.1 -14.0 57.3 35.7 15 103 A K G 3 S+ 0 0 184 1,-0.3 -1,-0.3 7,-0.0 7,-0.0 0.336 96.2 56.7 -75.7 11.3 -16.7 58.6 38.0 16 104 A N G < S+ 0 0 97 -3,-1.7 -1,-0.3 2,-0.1 2,-0.3 0.288 92.6 94.4-113.7 3.1 -14.5 57.4 40.9 17 105 A L S < S- 0 0 17 -3,-2.2 5,-0.1 1,-0.1 -3,-0.0 -0.658 85.3 -97.6 -97.9 151.7 -11.5 59.4 39.8 18 106 A I > - 0 0 77 -2,-0.3 4,-1.7 1,-0.1 3,-0.4 -0.233 41.5-110.7 -50.1 150.8 -10.3 62.9 40.8 19 107 A P H > S+ 0 0 79 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.916 118.7 57.2 -54.9 -42.4 -11.4 65.6 38.3 20 108 A R H > S+ 0 0 115 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.831 110.8 41.7 -59.6 -37.2 -7.8 66.1 37.2 21 109 A L H > S+ 0 0 2 -3,-0.4 4,-1.3 2,-0.2 -1,-0.3 0.692 110.2 59.7 -83.0 -21.2 -7.5 62.4 36.3 22 110 A Q H X S+ 0 0 42 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.916 105.4 47.6 -69.8 -43.1 -11.0 62.5 34.8 23 111 A K H X S+ 0 0 132 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.929 109.6 53.6 -61.8 -45.1 -9.9 65.2 32.3 24 112 A I H X S+ 0 0 43 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.821 107.5 50.7 -61.2 -35.7 -6.7 63.2 31.4 25 113 A W H X S+ 0 0 26 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.921 110.9 48.9 -69.6 -43.0 -8.8 60.2 30.6 26 114 A K H >X S+ 0 0 111 -4,-2.0 4,-1.8 1,-0.2 3,-0.9 0.970 109.8 51.8 -57.3 -54.5 -11.1 62.2 28.4 27 115 A N H 3X S+ 0 0 102 -4,-2.9 4,-2.2 1,-0.3 -1,-0.2 0.842 107.9 51.3 -50.9 -41.5 -8.1 63.8 26.5 28 116 A Y H 3X S+ 0 0 60 -4,-1.6 4,-1.7 1,-0.2 5,-0.3 0.801 106.3 55.4 -70.1 -27.1 -6.6 60.4 25.8 29 117 A L H << S+ 0 0 40 -4,-1.3 -2,-0.2 -3,-0.9 -1,-0.2 0.899 109.6 46.4 -69.8 -40.4 -9.8 59.2 24.4 30 118 A S H < S+ 0 0 105 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.946 109.9 53.4 -63.3 -52.3 -9.9 62.2 21.9 31 119 A M H < S- 0 0 108 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.925 72.0-178.8 -50.3 -55.1 -6.3 61.7 20.9 32 120 A N >< + 0 0 53 -4,-1.7 3,-2.3 -5,-0.1 -3,-0.1 0.906 6.2 178.8 48.9 47.5 -6.6 58.1 19.9 33 121 A K T 3 S+ 0 0 104 -5,-0.3 -1,-0.1 1,-0.3 198,-0.1 0.743 73.5 48.3 -48.9 -32.9 -2.9 58.1 19.1 34 122 A Y T 3 S- 0 0 6 196,-0.3 140,-2.9 139,-0.1 -1,-0.3 0.317 109.9-116.8-102.3 9.7 -3.0 54.4 18.1 35 123 A K < - 0 0 151 -3,-2.3 2,-0.4 1,-0.2 -2,-0.1 0.942 45.2-175.0 58.9 52.8 -6.0 54.5 15.9 36 124 A V + 0 0 17 194,-0.1 2,-0.3 -4,-0.1 -1,-0.2 -0.647 17.6 175.6 -81.1 132.3 -8.1 52.1 18.1 37 125 A S - 0 0 55 -2,-0.4 2,-0.5 193,-0.0 -1,-0.0 -0.727 17.8-154.9-135.3 89.2 -11.5 51.0 16.9 38 126 A Y + 0 0 44 -2,-0.3 -2,-0.0 1,-0.2 180,-0.0 -0.480 27.1 160.4 -67.2 113.9 -12.9 48.5 19.3 39 127 A K + 0 0 171 -2,-0.5 -1,-0.2 3,-0.1 3,-0.1 0.110 40.8 107.1-120.9 17.6 -15.4 46.4 17.3 40 128 A G S S- 0 0 36 1,-0.2 179,-0.0 178,-0.0 -2,-0.0 -0.098 86.4 -40.0 -82.0-168.8 -15.5 43.6 19.8 41 129 A P S S- 0 0 63 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.193 84.0 -84.0 -60.0 144.3 -18.3 42.6 22.2 42 130 A G - 0 0 51 1,-0.1 3,-0.4 -3,-0.1 -3,-0.1 -0.125 54.6 -95.2 -59.2 140.5 -19.9 45.7 23.7 43 131 A P S S+ 0 0 59 0, 0.0 180,-0.2 0, 0.0 179,-0.2 -0.280 103.2 52.0 -63.2 139.4 -18.0 47.0 26.7 44 132 A G + 0 0 38 178,-1.9 179,-0.2 177,-0.3 2,-0.2 0.538 64.0 159.6 119.1 15.0 -19.4 45.8 30.0 45 133 A I - 0 0 61 177,-2.6 2,-0.7 -3,-0.4 -1,-0.2 -0.445 36.0-131.6 -72.8 136.3 -19.6 42.0 29.7 46 134 A K - 0 0 209 -2,-0.2 2,-0.4 178,-0.0 -1,-0.1 -0.799 27.7-176.8 -96.5 114.5 -19.7 40.1 33.0 47 135 A F - 0 0 52 -2,-0.7 2,-0.0 176,-0.0 3,-0.0 -0.871 26.2-123.6-110.8 140.5 -17.3 37.2 33.3 48 136 A S > - 0 0 68 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.316 32.2-115.7 -60.8 160.0 -16.8 34.6 36.0 49 137 A A H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.950 117.3 45.4 -69.8 -47.4 -13.3 34.5 37.4 50 138 A E H > S+ 0 0 130 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.903 116.4 47.6 -56.0 -43.2 -12.6 31.0 36.2 51 139 A A H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.936 112.0 47.2 -67.8 -48.3 -14.2 31.9 32.8 52 140 A L H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.807 107.2 59.3 -62.7 -32.1 -12.3 35.1 32.3 53 141 A R H X S+ 0 0 20 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.863 108.0 44.4 -65.2 -37.1 -9.1 33.3 33.3 54 142 A a H X S+ 0 0 15 -4,-1.3 4,-3.0 -3,-0.3 5,-0.2 0.874 108.5 58.3 -72.9 -37.8 -9.5 30.9 30.4 55 143 A H H X S+ 0 0 32 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.896 107.9 46.4 -57.4 -41.7 -10.4 33.7 28.1 56 144 A L H < S+ 0 0 2 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.804 111.7 51.3 -73.0 -31.5 -7.1 35.3 28.8 57 145 A R H < S+ 0 0 77 -4,-1.2 3,-0.4 -5,-0.2 -2,-0.2 0.956 119.8 35.4 -67.0 -47.4 -5.2 32.1 28.3 58 146 A D H < S+ 0 0 90 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.843 121.7 40.8 -78.2 -36.6 -6.9 31.5 25.0 59 147 A H S < S+ 0 0 110 -4,-2.9 2,-0.4 -5,-0.2 -1,-0.2 0.204 102.9 69.6-106.8 16.8 -7.2 35.1 23.5 60 148 A V - 0 0 7 -4,-0.5 2,-0.7 -3,-0.4 -1,-0.1 -0.966 66.5-154.3-133.6 116.5 -3.8 36.6 24.5 61 149 A N - 0 0 98 -2,-0.4 2,-1.1 150,-0.1 154,-0.1 -0.820 2.1-162.1 -93.6 115.1 -0.7 35.3 22.8 62 150 A V + 0 0 9 -2,-0.7 2,-0.3 179,-0.1 -2,-0.0 -0.764 37.6 139.5 -96.8 91.4 2.4 35.8 25.0 63 151 A S - 0 0 30 -2,-1.1 146,-2.3 146,-0.1 2,-0.3 -0.964 43.6-134.5-138.5 154.5 5.2 35.4 22.4 64 152 A M B -A 208 0A 11 -2,-0.3 2,-0.4 144,-0.2 144,-0.2 -0.713 41.1 -88.7-104.6 155.5 8.5 37.0 21.6 65 153 A V - 0 0 5 142,-2.7 142,-0.3 -2,-0.3 2,-0.2 -0.506 52.3-163.8 -63.7 117.8 9.7 38.1 18.1 66 154 A E > - 0 0 88 -2,-0.4 3,-1.2 140,-0.1 6,-0.2 -0.570 34.4-104.4-102.4 168.7 11.4 35.0 16.7 67 155 A V T 3 S+ 0 0 85 1,-0.3 -1,-0.1 15,-0.2 10,-0.1 0.698 119.2 61.5 -65.5 -18.8 13.9 34.7 13.8 68 156 A T T 3 S+ 0 0 102 2,-0.1 2,-0.6 5,-0.1 -1,-0.3 0.720 81.0 95.9 -80.5 -21.2 11.0 33.3 11.7 69 157 A D S X S- 0 0 26 -3,-1.2 3,-3.0 3,-0.1 4,-0.1 -0.600 88.8 -94.3 -74.4 114.0 8.9 36.4 12.0 70 158 A F T 3 S+ 0 0 119 -2,-0.6 -2,-0.1 1,-0.3 -4,-0.0 -0.511 106.4 22.9 -62.8 135.5 9.5 38.6 9.0 71 159 A P T > S+ 0 0 11 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 -0.829 109.5 71.1-104.5 31.5 11.4 40.8 8.8 72 160 A F T < S+ 0 0 2 -3,-3.0 -2,-0.2 1,-0.2 9,-0.2 0.297 90.9 69.1 -87.0 12.8 13.7 39.5 11.6 73 161 A N T 3 S+ 0 0 90 -5,-0.2 -1,-0.2 -4,-0.1 -3,-0.1 0.392 78.3 105.4-100.6 -3.7 14.7 36.8 9.2 74 162 A T S X> S- 0 0 47 -3,-1.2 3,-1.3 1,-0.1 4,-0.5 -0.364 85.3-108.3 -76.3 161.1 16.5 39.3 6.9 75 163 A S G >4 S+ 0 0 108 1,-0.3 3,-2.3 2,-0.2 -1,-0.1 0.911 113.3 61.7 -60.2 -49.5 20.3 39.5 6.9 76 164 A E G 34 S+ 0 0 104 1,-0.3 -1,-0.3 3,-0.0 -4,-0.1 0.702 110.5 44.2 -49.5 -20.9 20.7 42.8 8.8 77 165 A W G X> S+ 0 0 3 -3,-1.3 3,-1.2 -6,-0.2 4,-0.5 0.534 82.6 128.5-103.3 -9.8 19.0 41.1 11.7 78 166 A E T << S+ 0 0 145 -3,-2.3 -5,-0.1 -4,-0.5 -3,-0.0 -0.242 74.4 12.5 -59.8 126.8 20.8 37.8 11.7 79 167 A G T 34 S+ 0 0 65 2,-0.1 -1,-0.2 3,-0.0 4,-0.1 0.695 101.7 95.2 87.1 21.5 22.3 36.6 15.0 80 168 A Y T <4 + 0 0 47 -3,-1.2 -2,-0.1 -8,-0.2 3,-0.1 0.820 63.7 70.9-106.1 -53.5 20.6 39.2 17.2 81 169 A L S < S- 0 0 22 -4,-0.5 125,-0.1 -9,-0.2 -2,-0.1 -0.358 97.7 -93.1 -64.7 145.2 17.5 37.6 18.7 82 170 A P - 0 0 16 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.332 32.9-127.2 -61.8 144.1 18.0 34.9 21.3 83 171 A K S S+ 0 0 209 -3,-0.1 -16,-0.2 -4,-0.1 2,-0.1 0.955 83.3 44.1 -59.3 -59.8 18.2 31.3 19.8 84 172 A E S S- 0 0 97 1,-0.2 5,-0.1 2,-0.1 0, 0.0 -0.477 95.5 -86.9 -94.3 159.7 15.6 29.4 21.9 85 173 A S > - 0 0 42 -2,-0.1 4,-1.6 1,-0.1 -1,-0.2 -0.092 33.4-119.7 -56.4 156.5 12.1 30.4 23.1 86 174 A I H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.884 115.9 62.1 -66.6 -33.8 11.7 32.4 26.3 87 175 A R H 4 S+ 0 0 120 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.875 103.8 49.5 -55.6 -38.8 9.7 29.5 27.6 88 176 A T H 4 S+ 0 0 89 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.915 116.0 40.8 -65.5 -44.8 12.8 27.3 27.2 89 177 A K H < S+ 0 0 80 -4,-1.6 2,-0.6 1,-0.2 -2,-0.2 0.736 112.8 56.8 -79.2 -22.6 15.0 29.8 29.0 90 178 A A S < S- 0 0 0 -4,-2.6 3,-0.2 -5,-0.1 -1,-0.2 -0.768 92.8-105.1-122.6 90.6 12.6 30.7 31.8 91 179 A G - 0 0 30 -2,-0.6 2,-0.2 1,-0.3 156,-0.1 -0.550 13.3-122.2 87.8-151.0 11.2 28.0 34.0 92 180 A P - 0 0 93 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.371 56.4-170.2 -71.5 152.8 8.6 26.8 34.2 93 181 A W E -b 247 0B 53 153,-2.2 155,-0.8 -3,-0.2 156,-0.2 -0.726 27.8-142.1-116.5 164.1 8.4 27.9 37.8 94 182 A G E S+ 0 0 29 1,-0.3 155,-1.8 -2,-0.2 154,-1.3 0.930 85.2 15.3 -84.8 -77.2 6.1 27.2 40.8 95 183 A R E S+b 249 0B 88 153,-0.2 23,-2.1 152,-0.1 24,-0.8 -0.898 72.4 178.3-107.0 128.4 5.7 30.5 42.8 96 184 A b E -bc 250 119B 0 153,-2.8 155,-3.9 -2,-0.5 2,-0.4 -0.905 16.6-141.5-126.9 159.5 6.6 33.8 41.2 97 185 A A E -bc 251 120B 0 22,-2.0 24,-2.7 -2,-0.3 2,-0.6 -0.962 3.0-160.0-123.1 130.7 6.5 37.4 42.2 98 186 A V E -bc 252 121B 2 153,-3.4 155,-2.6 -2,-0.4 2,-0.8 -0.941 15.7-158.2-104.0 116.9 5.6 40.5 40.2 99 187 A V E -b 253 0B 2 22,-2.3 24,-0.3 -2,-0.6 155,-0.1 -0.826 5.2-151.7 -97.7 108.6 7.0 43.6 42.0 100 188 A S - 0 0 15 153,-1.7 155,-0.1 -2,-0.8 23,-0.1 -0.053 20.1-124.9 -60.2 174.1 5.3 46.8 41.0 101 189 A S + 0 0 16 153,-0.1 166,-1.9 21,-0.1 167,-0.4 0.309 59.5 145.1-104.5 9.4 7.3 50.0 41.2 102 190 A A B > -H 266 0C 11 164,-0.2 3,-1.6 152,-0.2 164,-0.3 -0.034 58.3-130.0 -52.3 142.3 4.7 51.7 43.5 103 191 A G G > S+ 0 0 4 161,-1.0 3,-2.1 162,-0.9 163,-0.2 0.717 102.2 77.2 -62.1 -20.7 5.8 54.1 46.3 104 192 A S G 3 S+ 0 0 3 1,-0.3 -1,-0.3 161,-0.2 156,-0.2 0.543 74.7 76.9 -72.4 -6.6 3.6 52.1 48.7 105 193 A L G X S+ 0 0 0 -3,-1.6 3,-1.5 149,-0.1 4,-0.4 0.619 70.9 114.3 -70.2 -14.0 6.4 49.5 48.7 106 194 A K T < S- 0 0 147 -3,-2.1 162,-0.0 1,-0.3 25,-0.0 -0.426 90.5 -3.1 -64.6 131.1 8.1 51.9 51.0 107 195 A S T 3 S+ 0 0 74 -2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.819 95.1 124.2 51.3 39.3 8.5 50.5 54.5 108 196 A S < - 0 0 12 -3,-1.5 -2,-0.1 152,-0.0 26,-0.1 0.700 60.1-147.8 -92.5 -24.2 6.7 47.3 53.5 109 197 A Q + 0 0 157 -4,-0.4 3,-0.4 1,-0.1 4,-0.3 0.780 50.3 141.4 60.5 30.7 9.5 45.0 54.6 110 198 A L > + 0 0 7 24,-0.5 4,-2.6 -5,-0.3 24,-0.2 0.482 32.6 101.4 -83.1 -2.9 8.4 42.7 51.7 111 199 A G H > S+ 0 0 3 22,-2.8 4,-2.3 1,-0.2 26,-0.2 0.872 79.0 44.2 -52.7 -56.7 11.9 41.8 50.7 112 200 A R H 4 S+ 0 0 213 -3,-0.4 4,-0.5 21,-0.3 -1,-0.2 0.891 115.7 49.1 -58.9 -42.4 12.3 38.3 52.3 113 201 A E H >4 S+ 0 0 58 -4,-0.3 3,-1.2 1,-0.2 -1,-0.2 0.926 110.5 50.4 -66.0 -43.4 8.8 37.3 51.1 114 202 A I H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.917 109.3 52.7 -57.2 -42.8 9.5 38.5 47.5 115 203 A D T 3< S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.509 91.5 74.8 -78.1 -3.1 12.8 36.6 47.5 116 204 A D T < S+ 0 0 107 -3,-1.2 -1,-0.3 -4,-0.5 2,-0.2 0.420 79.5 92.7 -89.6 2.7 11.2 33.3 48.5 117 205 A H S < S- 0 0 4 -3,-1.3 -21,-0.2 -4,-0.2 3,-0.1 -0.596 84.6-123.2 -86.6 155.9 9.7 32.9 45.0 118 206 A D S S+ 0 0 81 -23,-2.1 2,-0.3 -2,-0.2 -22,-0.2 0.850 95.2 19.3 -65.1 -35.7 11.6 30.9 42.3 119 207 A A E -c 96 0B 0 -24,-0.8 -22,-2.0 -5,-0.1 2,-0.4 -0.978 64.8-155.9-137.8 149.7 11.5 34.0 40.0 120 208 A V E -c 97 0B 0 -2,-0.3 20,-2.6 -24,-0.2 21,-2.1 -0.993 7.2-156.8-128.1 128.6 11.0 37.8 40.4 121 209 A L E +cd 98 141B 0 -24,-2.7 -22,-2.3 -2,-0.4 21,-0.2 -0.899 16.9 176.3-103.3 126.1 9.8 40.1 37.7 122 210 A R E - 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0 0 0 -4,-2.8 -1,-0.2 -5,-0.4 -5,-0.2 -0.307 13.6-109.5 90.9 179.5 14.0 42.2 47.6 137 225 A T S S+ 0 0 71 -26,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.408 79.9 99.7-127.9 -8.5 17.3 41.6 45.8 138 226 A K + 0 0 90 -3,-0.1 2,-0.4 -6,-0.1 -19,-0.0 -0.717 40.1 176.7 -94.2 132.1 16.4 39.0 43.2 139 227 A T + 0 0 9 -2,-0.4 -18,-0.2 1,-0.1 3,-0.1 -0.886 13.9 155.7-134.4 104.9 15.7 40.0 39.6 140 228 A T S S+ 0 0 27 -20,-2.6 25,-3.2 -2,-0.4 2,-0.4 0.866 73.7 20.0 -97.8 -43.7 15.0 37.1 37.2 141 229 A I E -de 121 165B 0 -21,-2.1 -19,-2.5 23,-0.2 2,-0.5 -0.991 64.5-166.4-125.2 137.0 13.0 38.9 34.5 142 230 A R E -de 122 166B 3 23,-3.0 25,-1.9 -2,-0.4 2,-0.4 -0.978 7.9-157.1-123.6 120.3 13.0 42.7 33.8 143 231 A L E -de 123 167B 0 -21,-2.6 -19,-3.2 -2,-0.5 2,-0.3 -0.819 15.5-178.9 -99.8 132.7 10.4 44.2 31.6 144 232 A M E - e 0 168B 0 23,-2.5 25,-2.1 -2,-0.4 2,-0.2 -0.958 24.5-126.0-131.6 146.5 11.1 47.5 29.9 145 233 A N E > - e 0 169B 37 -2,-0.3 4,-1.4 23,-0.2 3,-0.3 -0.523 30.3-115.7 -84.7 163.2 9.2 49.9 27.6 146 234 A S H > S+ 0 0 1 23,-1.6 4,-2.7 1,-0.2 5,-0.2 0.731 110.2 67.5 -74.7 -21.1 10.8 50.9 24.3 147 235 A Q H > S+ 0 0 76 2,-0.2 4,-3.4 1,-0.2 5,-0.5 0.948 102.5 46.2 -62.4 -46.9 11.0 54.5 25.3 148 236 A L H > S+ 0 0 12 -3,-0.3 4,-2.4 2,-0.2 7,-0.3 0.931 113.3 47.9 -60.6 -48.5 13.5 53.7 28.0 149 237 A V H < S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.919 118.0 43.7 -60.6 -39.0 15.6 51.5 25.7 150 238 A T H < S+ 0 0 35 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.918 131.9 14.5 -72.0 -45.4 15.5 54.3 23.1 151 239 A T H < S+ 0 0 73 -4,-3.4 2,-1.1 -5,-0.2 -3,-0.2 0.632 93.2 98.4-115.7 -16.9 16.2 57.3 25.3 152 240 A E >< - 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0 0 3 -2,-0.3 2,-0.1 38,-0.3 -25,-0.0 -0.984 26.8-116.9-146.8 128.0 6.7 48.9 22.3 171 259 A P - 0 0 9 0, 0.0 15,-0.9 0, 0.0 2,-0.3 -0.451 36.7-166.6 -64.7 138.8 3.1 50.1 21.6 172 260 A S - 0 0 2 38,-0.4 3,-0.1 13,-0.1 9,-0.0 -0.746 35.7 -72.9-119.1 169.0 2.1 49.7 18.0 173 261 A V S > S- 0 0 42 11,-0.3 3,-1.4 -2,-0.3 -138,-0.2 -0.368 77.5 -78.8 -56.1 142.0 -0.8 51.0 15.8 174 262 A Y T 3 S- 0 0 26 -140,-2.9 -1,-0.1 1,-0.3 37,-0.1 -0.179 111.1 -1.5 -57.4 134.9 -3.8 49.0 16.9 175 263 A H T 3 S+ 0 0 118 1,-0.2 -1,-0.3 35,-0.1 2,-0.2 0.787 92.9 159.1 58.3 32.6 -4.1 45.5 15.5 176 264 A S < - 0 0 17 -3,-1.4 -1,-0.2 34,-0.1 2,-0.1 -0.563 35.7-130.8 -85.2 146.8 -0.9 45.9 13.5 177 265 A D > - 0 0 85 -2,-0.2 4,-2.0 33,-0.1 5,-0.2 -0.455 35.7 -91.6 -88.8 174.1 1.2 42.9 12.3 178 266 A I H > S+ 0 0 10 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.856 120.4 47.0 -55.0 -44.3 4.9 42.6 12.8 179 267 A P H > S+ 0 0 36 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.904 111.8 48.5 -67.8 -42.8 6.1 44.2 9.5 180 268 A K H > S+ 0 0 122 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.930 114.1 48.1 -61.0 -43.7 3.8 47.3 9.6 181 269 A W H < S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.2 -3,-0.1 0.856 104.1 58.8 -63.9 -38.2 4.9 47.9 13.2 182 270 A Y H < S+ 0 0 56 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.879 108.2 48.6 -59.0 -36.8 8.5 47.5 12.3 183 271 A Q H < S+ 0 0 142 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.894 124.9 27.3 -65.3 -44.0 7.9 50.4 9.9 184 272 A N S < S+ 0 0 98 -4,-1.7 -11,-0.3 -5,-0.1 -1,-0.2 -0.506 75.2 168.8-125.3 64.3 6.2 52.6 12.5 185 273 A P - 0 0 21 0, 0.0 3,-0.2 0, 0.0 -13,-0.1 -0.373 41.4-126.7 -70.5 156.0 7.3 51.8 16.0 186 274 A D S S+ 0 0 40 -15,-0.9 2,-0.4 1,-0.3 -14,-0.1 0.893 101.9 15.0 -67.8 -39.8 6.3 54.2 18.8 187 275 A Y S S- 0 0 90 -16,-0.2 2,-2.0 -3,-0.0 -1,-0.3 -0.998 82.3-128.8-132.4 132.9 9.9 54.5 19.8 188 276 A N + 0 0 102 -2,-0.4 3,-0.5 1,-0.2 4,-0.3 -0.484 46.3 153.1 -82.6 74.8 12.7 53.3 17.5 189 277 A F > + 0 0 0 -2,-2.0 4,-2.6 1,-0.2 5,-0.2 0.442 40.6 101.8 -81.4 -1.6 14.6 51.2 20.0 190 278 A F H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.871 79.3 46.9 -58.5 -47.3 16.0 48.9 17.3 191 279 A N H > S+ 0 0 111 -3,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.950 115.3 45.8 -55.6 -50.9 19.5 50.4 17.2 192 280 A N H > S+ 0 0 43 -4,-0.3 4,-3.0 2,-0.2 5,-0.3 0.840 110.3 54.2 -68.1 -32.7 19.9 50.4 21.0 193 281 A Y H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.958 112.9 43.0 -59.8 -51.1 18.6 46.9 21.2 194 282 A K H X S+ 0 0 23 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.899 115.1 52.2 -60.3 -38.2 21.2 45.8 18.7 195 283 A T H X S+ 0 0 50 -4,-2.9 4,-0.9 2,-0.2 3,-0.2 0.927 112.7 41.5 -65.7 -49.3 23.8 47.9 20.6 196 284 A Y H >X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 3,-1.1 0.917 111.0 58.7 -60.0 -44.4 23.1 46.4 24.0 197 285 A R H 3< S+ 0 0 25 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.792 102.4 53.7 -61.9 -28.5 22.9 43.0 22.4 198 286 A K H 3< S+ 0 0 132 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.788 112.4 44.8 -70.9 -30.5 26.5 43.4 21.1 199 287 A L H << S+ 0 0 100 -3,-1.1 -2,-0.2 -4,-0.9 -1,-0.2 0.738 122.5 32.7 -87.7 -27.4 27.7 44.2 24.7 200 288 A H >< + 0 0 48 -4,-2.1 3,-1.0 1,-0.1 -1,-0.2 -0.615 62.3 156.8-133.2 77.8 25.8 41.5 26.6 201 289 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.815 76.1 55.1 -70.4 -34.6 25.5 38.3 24.4 202 290 A N T 3 S+ 0 0 161 2,-0.1 -5,-0.0 1,-0.0 -2,-0.0 0.317 91.3 88.7 -84.9 8.9 25.1 35.9 27.3 203 291 A Q S < S- 0 0 15 -3,-1.0 -3,-0.1 -6,-0.1 -38,-0.1 -0.934 82.9-127.5-105.7 112.0 22.2 37.9 28.6 204 292 A P + 0 0 22 0, 0.0 -38,-2.6 0, 0.0 2,-0.3 -0.315 31.6 180.0 -55.6 136.8 18.8 36.9 27.1 205 293 A F E -f 166 0B 0 -40,-0.2 2,-0.2 -4,-0.1 -38,-0.2 -0.903 2.4-175.8-149.3 109.3 17.0 39.8 25.6 206 294 A Y E -f 167 0B 8 -40,-2.6 -38,-2.3 -2,-0.3 2,-0.5 -0.670 21.2-138.3-111.5 163.1 13.6 39.5 23.9 207 295 A I E -f 168 0B 0 -142,-0.3 -142,-2.7 -2,-0.2 2,-0.2 -0.982 25.0-129.1-118.1 124.1 11.2 41.7 22.1 208 296 A L B -A 64 0A 3 -40,-2.8 -38,-0.3 -2,-0.5 -144,-0.2 -0.523 32.3-107.0 -69.5 136.9 7.5 41.3 22.9 209 297 A K > - 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0 0 14 0, 0.0 -249,-0.3 0, 0.0 49,-0.2 -0.367 21.6-140.4 -85.5 157.6 -2.3 48.8 46.7 258 346 A S > - 0 0 8 47,-0.1 3,-1.3 48,-0.1 45,-0.2 0.038 47.5 -72.2 -87.0-161.4 -2.1 48.2 50.5 259 347 A K T 3 S+ 0 0 112 44,-2.3 45,-0.1 1,-0.3 44,-0.1 0.643 126.7 71.1 -70.4 -15.3 -2.8 50.4 53.5 260 348 A R T 3 S+ 0 0 47 43,-0.2 -1,-0.3 -156,-0.2 -154,-0.1 0.310 70.5 152.5 -82.6 9.4 0.5 52.2 52.6 261 349 A K < + 0 0 107 -3,-1.3 2,-0.3 -157,-0.1 -2,-0.0 -0.137 18.7 164.9 -42.9 126.7 -1.3 53.6 49.5 262 350 A T - 0 0 42 2,-0.2 -158,-0.2 11,-0.1 -159,-0.2 -0.936 52.1-120.7-147.7 160.6 0.4 56.9 48.7 263 351 A D S S+ 0 0 81 -2,-0.3 10,-3.3 -160,-0.1 2,-0.3 0.667 78.6 113.7 -80.2 -17.3 0.7 59.6 46.0 264 352 A V B -I 272 0D 34 8,-0.3 -161,-1.0 1,-0.2 8,-0.3 -0.415 62.7-149.9 -57.8 118.7 4.4 58.9 45.9 265 353 A c + 0 0 3 6,-2.4 -162,-0.9 -2,-0.3 2,-0.3 0.923 67.7 19.8 -65.8 -50.5 4.8 57.4 42.4 266 354 A Y B > -H 102 0C 73 5,-0.4 3,-0.7 3,-0.3 -164,-0.2 -0.847 63.2-131.7-120.1 153.9 7.8 55.1 42.9 267 355 A Y T 3 S+ 0 0 21 -166,-1.9 -165,-0.1 -2,-0.3 -164,-0.1 0.812 113.2 46.3 -67.2 -24.8 9.5 53.5 45.9 268 356 A Y T 3 S+ 0 0 51 -167,-0.4 2,-0.3 -162,-0.0 -1,-0.2 0.273 109.0 57.9-105.8 10.7 12.8 54.7 44.3 269 357 A Q < - 0 0 87 -3,-0.7 -3,-0.3 2,-0.1 0, 0.0 -0.966 69.1-139.5-138.6 155.6 11.8 58.3 43.5 270 358 A K + 0 0 201 -2,-0.3 2,-0.2 -5,-0.1 -3,-0.0 0.320 63.6 107.5-102.0 8.1 10.5 61.2 45.7 271 359 A F - 0 0 91 -7,-0.1 -6,-2.4 1,-0.0 -5,-0.4 -0.556 58.6-132.6 -92.2 152.7 7.8 62.7 43.4 272 360 A F B +I 264 0D 141 -8,-0.3 -8,-0.3 -2,-0.2 2,-0.2 -0.788 34.6 147.0-103.5 143.3 4.1 62.5 43.9 273 361 A D > - 0 0 43 -10,-3.3 3,-0.9 -2,-0.4 4,-0.4 -0.678 33.7-155.4-169.4 121.6 1.4 61.7 41.3 274 362 A S T >> S+ 0 0 15 1,-0.2 4,-3.0 -2,-0.2 3,-1.0 0.749 90.7 75.5 -63.9 -23.8 -1.8 59.9 41.9 275 363 A A H 3> S+ 0 0 9 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.808 84.1 62.1 -63.3 -29.9 -1.8 58.9 38.2 276 364 A c H <4 S+ 0 0 48 -3,-0.9 -1,-0.3 -13,-0.2 -2,-0.2 0.852 116.5 31.9 -64.9 -31.2 0.9 56.3 38.7 277 365 A T H <4 S+ 0 0 9 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.2 0.892 131.9 31.0 -87.7 -47.7 -1.5 54.5 41.0 278 366 A M H < S- 0 0 23 -4,-3.0 7,-0.5 1,-0.1 -3,-0.2 0.663 112.2-111.4 -91.2 -19.3 -4.9 55.3 39.4 279 367 A G < + 0 0 3 -4,-2.4 -3,-0.1 -5,-0.4 -1,-0.1 0.139 39.3 177.5 105.3 143.1 -3.8 55.6 35.8 280 368 A A S S+ 0 0 21 2,-0.2 -252,-0.1 -5,-0.1 -51,-0.1 0.195 85.9 15.6-134.4 -86.0 -3.4 58.3 33.1 281 369 A Y S S+ 0 0 54 2,-0.1 -50,-0.4 -51,-0.1 -47,-0.0 0.975 125.4 56.7 -51.1 -59.8 -1.9 57.1 29.8 282 370 A H S S- 0 0 48 1,-0.1 2,-2.0 -52,-0.1 3,-0.4 -0.411 91.5-118.1 -78.1 150.2 -2.6 53.4 30.6 283 371 A P >> + 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-0.6 -0.274 60.6 148.6 -76.3 53.5 -6.0 52.0 31.5 284 372 A L H 3> + 0 0 16 -2,-2.0 4,-2.7 1,-0.3 -5,-0.2 0.836 60.7 62.1 -62.7 -35.0 -4.4 51.1 34.8 285 373 A L H 3> S+ 0 0 4 -7,-0.5 4,-1.8 -3,-0.4 -1,-0.3 0.915 107.8 41.1 -55.1 -47.5 -7.7 51.5 36.6 286 374 A Y H <> S+ 0 0 5 -3,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.752 110.5 58.5 -80.9 -22.4 -9.4 48.8 34.7 287 375 A E H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 3,-0.2 0.938 106.8 48.4 -65.9 -48.7 -6.3 46.6 34.9 288 376 A K H X S+ 0 0 9 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.900 106.7 56.0 -59.0 -41.3 -6.5 46.7 38.6 289 377 A N H X S+ 0 0 14 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.881 108.8 49.2 -55.3 -37.5 -10.3 45.9 38.5 290 378 A L H X S+ 0 0 9 -4,-1.3 4,-1.1 -3,-0.2 -2,-0.2 0.887 110.0 48.9 -72.6 -40.4 -9.3 42.8 36.6 291 379 A V H >X S+ 0 0 0 -4,-2.0 4,-0.8 2,-0.2 3,-0.6 0.927 112.1 48.3 -66.5 -44.2 -6.6 41.7 39.0 292 380 A K H >< S+ 0 0 36 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.909 110.0 54.4 -58.6 -40.8 -8.9 42.2 42.0 293 381 A H H 3< S+ 0 0 46 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.727 114.1 39.5 -69.6 -22.2 -11.5 40.2 40.1 294 382 A L H << S+ 0 0 3 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.417 86.7 128.7-105.7 -0.6 -9.1 37.2 39.5 295 383 A N << - 0 0 25 -4,-0.8 15,-0.2 -3,-0.8 4,-0.1 -0.302 35.7-175.1 -60.8 135.3 -7.6 37.4 43.0 296 384 A Q + 0 0 121 13,-2.3 -1,-0.1 2,-0.1 2,-0.1 0.332 62.4 84.9-113.7 -0.4 -7.5 34.1 44.9 297 385 A G S S- 0 0 22 12,-0.3 2,-0.1 1,-0.1 11,-0.0 -0.381 87.9 -96.9 -84.3 176.0 -6.1 35.7 48.0 298 386 A T > - 0 0 71 -2,-0.1 4,-1.0 1,-0.1 3,-0.4 -0.466 27.9-110.5 -89.1 167.7 -8.3 37.3 50.6 299 387 A D H >> S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 3,-1.0 0.927 118.4 63.4 -60.9 -42.7 -9.0 41.0 51.0 300 388 A E H 3> S+ 0 0 105 1,-0.3 4,-2.2 2,-0.2 5,-0.4 0.840 96.8 56.9 -50.9 -38.3 -6.9 40.9 54.2 301 389 A D H 3>>S+ 0 0 48 -3,-0.4 6,-1.7 1,-0.2 4,-1.7 0.879 108.2 47.8 -60.4 -38.0 -3.9 40.0 52.0 302 390 A I H - 0 0 0 -64,-3.6 3,-2.1 -2,-0.1 -67,-0.2 -0.536 26.9-115.7 -77.2 151.1 -0.7 30.3 36.3 313 401 A F G > S+ 0 0 19 -69,-2.8 3,-1.9 1,-0.3 -68,-0.1 0.829 110.5 73.2 -54.8 -33.7 -2.5 29.3 33.1 314 402 A R G 3 S+ 0 0 176 -67,-0.6 -1,-0.3 -70,-0.5 -66,-0.1 0.716 98.9 46.9 -52.4 -22.9 -0.9 25.9 33.3 315 403 A T G < S+ 0 0 73 -3,-2.1 -1,-0.3 -67,-0.1 2,-0.2 0.268 88.3 107.0-111.9 10.9 -3.2 25.1 36.2 316 404 A I < - 0 0 33 -3,-1.9 2,-0.8 -4,-0.1 -266,-0.0 -0.572 67.0-104.8-106.7 161.0 -6.7 26.1 35.1 317 405 A H 0 0 162 -2,-0.2 -263,-0.1 -267,-0.0 -2,-0.1 -0.704 360.0 360.0 -96.3 105.7 -9.8 24.2 33.9 318 406 A a 0 0 94 -2,-0.8 -267,-0.0 -264,-0.0 -2,-0.0 -0.956 360.0 360.0-179.2 360.0 -10.9 24.0 30.2