==== 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 4JS1 . 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 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 62.6 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 . 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 . 20 6.3 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 . 80 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 2 2 1 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 0 182 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.5 -18.6 41.3 64.5 2 90 A E - 0 0 194 1,-0.0 2,-0.0 0, 0.0 0, 0.0 -0.817 360.0-113.7-102.2 135.1 -17.2 41.7 61.0 3 91 A A - 0 0 82 -2,-0.4 2,-0.5 1,-0.1 -1,-0.0 -0.287 20.8-144.8 -67.3 142.4 -14.4 44.2 60.2 4 92 A S + 0 0 119 2,-0.0 2,-0.3 -2,-0.0 -1,-0.1 -0.949 39.0 130.5-112.2 122.9 -15.0 47.2 58.0 5 93 A F - 0 0 63 -2,-0.5 2,-0.5 2,-0.0 298,-0.0 -0.960 49.8-102.1-159.4 168.4 -12.2 48.4 55.8 6 94 A Q + 0 0 178 -2,-0.3 2,-0.3 297,-0.0 3,-0.1 -0.886 34.1 164.1-112.5 124.5 -11.6 49.4 52.2 7 95 A V - 0 0 27 -2,-0.5 251,-0.1 1,-0.1 292,-0.1 -0.835 58.3 -52.1-120.2 166.4 -10.1 47.3 49.4 8 96 A W - 0 0 15 249,-0.4 2,-0.7 -2,-0.3 -1,-0.1 0.013 53.9-128.7 -42.7 132.9 -10.3 48.0 45.6 9 97 A N > - 0 0 86 1,-0.1 3,-1.3 -3,-0.1 -1,-0.1 -0.817 9.5-149.2 -89.1 112.9 -13.8 48.4 44.3 10 98 A K T 3 S+ 0 0 87 -2,-0.7 -1,-0.1 1,-0.3 283,-0.1 0.638 93.5 56.2 -54.9 -21.7 -14.4 46.1 41.3 11 99 A D T 3 S+ 0 0 125 213,-0.1 -1,-0.3 2,-0.0 2,-0.1 -0.103 73.7 151.9-108.6 35.5 -16.8 48.5 39.8 12 100 A S < + 0 0 11 -3,-1.3 2,-0.3 273,-0.2 277,-0.1 -0.438 16.7 172.1 -65.5 136.8 -14.6 51.6 39.7 13 101 A S > - 0 0 28 -2,-0.1 3,-1.4 211,-0.1 4,-0.4 -0.787 51.2 -90.2-132.5 178.3 -15.4 54.0 36.9 14 102 A S G > S+ 0 0 4 -2,-0.3 3,-1.3 1,-0.2 11,-0.1 0.816 121.4 67.4 -60.3 -30.9 -14.3 57.5 35.8 15 103 A K G 3 S+ 0 0 181 1,-0.3 -1,-0.2 7,-0.0 -3,-0.1 0.685 96.6 54.6 -69.6 -12.8 -17.1 58.9 38.0 16 104 A N G < S+ 0 0 103 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.646 94.5 96.9 -84.9 -18.3 -15.2 57.6 41.1 17 105 A L S < S- 0 0 17 -3,-1.3 -3,-0.0 -4,-0.4 5,-0.0 -0.273 87.6 -93.7 -76.0 156.0 -12.1 59.4 40.1 18 106 A I >> - 0 0 81 1,-0.1 4,-2.2 4,-0.0 3,-0.8 -0.439 40.4-116.4 -54.6 136.2 -10.7 62.8 41.2 19 107 A P H 3> S+ 0 0 81 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.809 115.3 62.4 -49.4 -32.6 -11.9 65.5 38.7 20 108 A R H 3> S+ 0 0 123 1,-0.2 4,-1.3 2,-0.2 3,-0.1 0.944 109.7 36.7 -58.2 -50.6 -8.2 66.0 37.8 21 109 A L H <> S+ 0 0 3 -3,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.736 109.6 65.1 -77.6 -24.4 -7.8 62.5 36.5 22 110 A Q H X S+ 0 0 37 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.917 102.8 46.9 -59.3 -44.5 -11.3 62.6 35.1 23 111 A K H X S+ 0 0 137 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.901 111.4 51.9 -66.6 -39.5 -10.2 65.3 32.6 24 112 A I H X S+ 0 0 43 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.921 110.0 47.8 -60.1 -49.5 -7.1 63.4 31.7 25 113 A W H X S+ 0 0 25 -4,-2.5 4,-1.7 1,-0.2 3,-0.3 0.951 112.7 50.4 -52.5 -52.8 -9.1 60.2 31.0 26 114 A K H X S+ 0 0 92 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.887 110.0 50.4 -52.7 -44.5 -11.5 62.3 28.9 27 115 A N H X S+ 0 0 101 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.812 107.1 51.6 -71.3 -31.2 -8.6 63.8 27.0 28 116 A Y H < S+ 0 0 63 -4,-1.9 5,-0.3 -3,-0.3 -1,-0.2 0.818 106.2 56.3 -73.0 -29.6 -6.9 60.5 26.1 29 117 A L H < S+ 0 0 33 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.893 110.9 46.6 -59.8 -39.9 -10.3 59.4 24.8 30 118 A S H < S+ 0 0 100 -4,-1.3 2,-1.9 1,-0.2 -2,-0.2 0.957 105.7 54.1 -75.1 -56.8 -10.2 62.4 22.5 31 119 A M S < S- 0 0 103 -4,-2.5 2,-2.6 1,-0.1 -1,-0.2 -0.618 77.1-166.7 -78.5 85.3 -6.6 62.2 21.2 32 120 A N > + 0 0 58 -2,-1.9 3,-2.2 1,-0.2 -3,-0.1 -0.458 12.2 177.0 -74.2 74.2 -7.1 58.6 20.0 33 121 A K T 3 S+ 0 0 100 -2,-2.6 -1,-0.2 -5,-0.3 198,-0.1 0.817 73.9 43.1 -54.1 -40.7 -3.4 58.3 19.4 34 122 A Y T 3 S- 0 0 9 196,-0.5 140,-2.8 -3,-0.2 -1,-0.3 0.298 110.2-117.3 -97.0 10.5 -3.4 54.6 18.4 35 123 A K < - 0 0 153 -3,-2.2 2,-0.3 1,-0.2 -2,-0.1 0.928 47.3-177.6 60.0 47.6 -6.4 55.1 16.1 36 124 A V + 0 0 13 194,-0.2 2,-0.3 137,-0.0 -1,-0.2 -0.617 19.4 176.6 -78.4 135.2 -8.5 52.7 18.1 37 125 A S - 0 0 72 -2,-0.3 2,-0.5 0, 0.0 -1,-0.0 -0.825 24.6-144.3-132.3 97.6 -12.0 51.9 17.0 38 126 A Y + 0 0 45 -2,-0.3 -2,-0.0 1,-0.2 180,-0.0 -0.481 29.1 166.5 -65.6 115.6 -13.5 49.3 19.4 39 127 A K + 0 0 178 -2,-0.5 -1,-0.2 3,-0.1 179,-0.0 0.160 37.4 114.4-114.1 16.4 -15.6 47.0 17.2 40 128 A G S S- 0 0 31 1,-0.1 179,-0.0 178,-0.1 -2,-0.0 -0.251 88.1 -59.3 -88.3 176.9 -16.1 44.2 19.7 41 129 A P S S- 0 0 104 0, 0.0 -1,-0.1 0, 0.0 181,-0.0 0.508 91.6 -93.7 -34.2 -26.9 -19.1 42.8 21.7 42 130 A G - 0 0 20 3,-0.0 -3,-0.1 0, 0.0 2,-0.0 0.064 47.2 -55.7 117.9 141.1 -19.8 46.2 23.3 43 131 A P S S+ 0 0 80 0, 0.0 179,-0.2 0, 0.0 180,-0.1 -0.148 107.8 29.1 -51.6 113.1 -19.0 48.2 26.5 44 132 A G + 0 0 37 178,-1.0 2,-0.3 177,-0.6 179,-0.2 0.722 62.6 161.2 102.0 98.9 -20.1 46.3 29.5 45 133 A I - 0 0 61 178,-0.8 2,-0.4 177,-0.2 -1,-0.1 -0.986 28.5-133.2-147.2 136.9 -20.2 42.5 29.8 46 134 A K + 0 0 214 -2,-0.3 2,-0.3 6,-0.0 177,-0.0 -0.776 24.2 174.7 -97.2 132.9 -20.3 40.1 32.8 47 135 A F - 0 0 61 -2,-0.4 2,-0.2 176,-0.0 -2,-0.0 -0.969 31.8-120.1-127.1 144.0 -18.1 37.0 33.2 48 136 A S > - 0 0 71 -2,-0.3 4,-3.1 1,-0.1 5,-0.3 -0.516 35.0-113.6 -70.1 153.6 -17.6 34.6 36.0 49 137 A A H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.882 119.7 51.7 -58.6 -37.7 -14.0 34.5 37.3 50 138 A E H > S+ 0 0 124 2,-0.2 4,-1.2 1,-0.2 267,-0.2 0.945 115.2 40.7 -61.8 -48.1 -13.7 30.9 36.0 51 139 A A H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.856 115.8 49.2 -70.2 -37.5 -15.0 31.9 32.5 52 140 A L H X S+ 0 0 3 -4,-3.1 4,-1.3 2,-0.2 -1,-0.2 0.872 108.2 53.6 -72.9 -36.4 -13.1 35.2 32.3 53 141 A R H X S+ 0 0 23 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.883 114.2 43.2 -61.3 -34.9 -9.9 33.5 33.3 54 142 A C H X S+ 0 0 26 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.793 110.4 54.1 -83.8 -28.7 -10.6 31.0 30.4 55 143 A H H X S+ 0 0 26 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.708 111.4 49.1 -73.0 -18.3 -11.6 33.8 28.0 56 144 A L H X S+ 0 0 1 -4,-1.3 4,-0.5 2,-0.2 -2,-0.2 0.825 109.1 49.2 -87.8 -39.3 -8.3 35.4 28.9 57 145 A R H < S+ 0 0 74 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.904 118.4 41.6 -62.4 -42.7 -6.2 32.2 28.3 58 146 A D H < S+ 0 0 86 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.777 117.6 41.6 -80.3 -30.2 -7.9 31.7 24.9 59 147 A H H < S+ 0 0 112 -4,-1.0 2,-0.4 -5,-0.1 -1,-0.2 0.225 100.5 71.6-110.5 12.1 -8.1 35.3 23.5 60 148 A V < - 0 0 6 -4,-0.5 2,-1.0 -3,-0.3 152,-0.1 -0.993 65.6-153.3-127.6 123.8 -4.6 36.7 24.4 61 149 A N - 0 0 102 -2,-0.4 2,-1.3 150,-0.1 148,-0.1 -0.808 4.6-164.1-100.4 96.0 -1.6 35.4 22.5 62 150 A V + 0 0 11 -2,-1.0 2,-0.3 179,-0.1 -2,-0.0 -0.678 38.9 138.2 -74.5 95.4 1.4 35.8 24.8 63 151 A S - 0 0 36 -2,-1.3 146,-2.2 146,-0.1 2,-0.3 -0.988 43.9-135.0-145.7 155.5 4.1 35.4 22.1 64 152 A M B -A 208 0A 12 -2,-0.3 144,-0.2 144,-0.2 2,-0.1 -0.760 38.1 -87.3-111.6 152.7 7.4 37.0 21.3 65 153 A V - 0 0 6 142,-2.7 142,-0.3 -2,-0.3 2,-0.3 -0.395 50.9-162.4 -59.2 126.9 8.7 38.1 17.9 66 154 A E > - 0 0 97 -2,-0.1 3,-2.4 15,-0.1 6,-0.2 -0.756 33.8-105.9-114.6 162.1 10.5 35.2 16.3 67 155 A V T 3 S+ 0 0 83 1,-0.3 -2,-0.1 -2,-0.3 10,-0.1 0.511 117.4 63.8 -68.1 -1.3 13.0 35.0 13.5 68 156 A T T 3 S+ 0 0 107 2,-0.1 2,-0.7 5,-0.0 -1,-0.3 0.625 82.0 92.9 -91.8 -17.6 10.2 33.6 11.2 69 157 A D S X S- 0 0 34 -3,-2.4 3,-2.6 3,-0.1 4,-0.1 -0.698 89.1 -89.5 -85.7 113.9 8.2 36.9 11.5 70 158 A F T 3 S+ 0 0 118 -2,-0.7 -2,-0.1 1,-0.3 -4,-0.0 -0.339 108.1 19.0 -60.9 137.4 9.0 39.3 8.7 71 159 A P T > S+ 0 0 12 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 -0.891 113.7 71.8 -96.5 22.3 11.1 41.4 8.6 72 160 A F T < S+ 0 0 0 -3,-2.6 -2,-0.2 1,-0.3 9,-0.2 0.402 90.0 67.2 -79.2 3.6 13.0 39.7 11.4 73 161 A N T 3 S+ 0 0 90 -5,-0.2 -1,-0.3 5,-0.1 2,-0.1 0.251 82.9 106.1 -95.8 7.2 13.9 37.0 8.9 74 162 A T S X S- 0 0 45 -3,-1.6 3,-1.5 1,-0.1 4,-0.1 -0.475 85.7-104.4 -91.9 165.4 16.1 39.5 7.0 75 163 A S G > S+ 0 0 112 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.813 116.0 58.3 -57.4 -37.3 19.9 39.7 6.9 76 164 A E G 3 S+ 0 0 95 1,-0.3 -1,-0.3 3,-0.0 -4,-0.1 0.777 107.5 48.8 -67.1 -23.7 20.2 42.7 9.2 77 165 A W G X> S+ 0 0 0 -3,-1.5 3,-1.6 -6,-0.3 4,-0.6 0.245 80.5 138.9 -98.6 11.3 18.4 40.8 12.0 78 166 A E T <4 S- 0 0 146 -3,-1.6 -5,-0.1 1,-0.3 -3,-0.1 -0.363 77.8 -3.4 -62.4 127.0 20.4 37.7 11.7 79 167 A G T 34 S+ 0 0 57 -2,-0.1 -1,-0.3 1,-0.1 4,-0.1 0.542 104.0 108.8 75.0 7.7 21.3 36.2 15.1 80 168 A Y T <4 + 0 0 46 -3,-1.6 -2,-0.1 -8,-0.1 -1,-0.1 0.873 61.3 65.2 -87.1 -39.5 19.7 39.0 16.9 81 169 A L S < S- 0 0 14 -4,-0.6 125,-0.1 -9,-0.2 -15,-0.1 -0.494 100.6 -88.4 -83.3 154.3 16.6 37.3 18.4 82 170 A P - 0 0 20 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.381 28.5-137.3 -62.9 139.9 17.0 34.5 21.0 83 171 A K S S+ 0 0 197 -4,-0.1 2,-0.2 -17,-0.1 -16,-0.1 0.884 83.5 57.7 -63.4 -42.0 17.3 31.0 19.5 84 172 A E S S- 0 0 84 1,-0.1 2,-0.0 2,-0.0 5,-0.0 -0.560 92.7-101.1 -97.4 156.0 15.0 29.4 22.0 85 173 A S >> - 0 0 45 -2,-0.2 4,-2.0 1,-0.1 3,-1.1 -0.369 30.1-121.7 -66.8 150.0 11.4 30.1 22.9 86 174 A I H 3> S+ 0 0 7 1,-0.3 4,-3.4 2,-0.2 -1,-0.1 0.937 117.0 59.6 -61.1 -41.5 10.9 32.2 26.1 87 175 A R H 34 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.725 106.8 47.7 -53.7 -25.1 8.8 29.2 27.3 88 176 A T H <4 S+ 0 0 97 -3,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.870 117.7 40.1 -80.9 -41.0 12.0 27.2 26.9 89 177 A K H < S+ 0 0 77 -4,-2.0 2,-0.6 1,-0.2 -2,-0.2 0.748 113.5 59.9 -80.0 -25.0 14.2 29.7 28.7 90 178 A A S < S- 0 0 1 -4,-3.4 -1,-0.2 -5,-0.2 3,-0.2 -0.878 91.7-106.7-119.2 105.5 11.7 30.5 31.4 91 179 A G - 0 0 30 -2,-0.6 2,-0.2 1,-0.2 156,-0.1 -0.313 14.6-127.1 59.8-139.5 10.4 27.9 33.8 92 180 A P - 0 0 85 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.348 58.0-163.2 -66.2 144.2 7.6 26.7 33.7 93 181 A W E -b 247 0B 49 153,-2.6 155,-1.1 -2,-0.2 156,-0.2 -0.649 27.8-148.9-113.5 163.0 7.6 27.8 37.3 94 182 A G E S+ 0 0 26 1,-0.3 155,-1.5 -2,-0.2 2,-0.5 0.934 83.2 27.7 -94.7 -68.2 5.6 27.0 40.5 95 183 A R E S+b 249 0B 92 153,-0.1 24,-1.3 152,-0.1 23,-1.0 -0.897 74.1 173.8 -98.8 125.7 5.4 30.0 42.8 96 184 A a E -bc 250 119B 0 153,-1.9 155,-2.6 -2,-0.5 2,-0.4 -0.993 15.0-158.7-133.4 145.1 5.7 33.3 41.0 97 185 A A E -bc 251 120B 0 22,-2.1 24,-2.4 -2,-0.4 2,-0.5 -0.911 8.0-152.0-119.7 144.8 5.5 36.9 42.1 98 186 A V E -bc 252 121B 5 153,-2.6 155,-2.3 -2,-0.4 2,-0.7 -0.980 13.7-156.4-110.7 118.6 4.8 40.1 40.3 99 187 A V E -b 253 0B 0 22,-2.7 24,-0.3 -2,-0.5 155,-0.1 -0.836 6.4-156.1 -95.6 109.5 6.3 43.2 41.9 100 188 A S - 0 0 14 153,-1.4 155,-0.1 -2,-0.7 23,-0.1 -0.291 21.0-124.9 -73.5 169.8 4.5 46.4 40.9 101 189 A S + 0 0 13 153,-0.1 166,-1.8 21,-0.1 167,-0.4 0.378 57.8 143.2-100.8 8.4 6.6 49.5 41.2 102 190 A A B > -H 266 0C 13 152,-0.3 3,-1.4 164,-0.2 164,-0.3 0.032 59.8-127.4 -48.5 147.4 4.2 51.4 43.5 103 191 A G G > S+ 0 0 5 161,-1.1 3,-2.2 162,-0.5 163,-0.1 0.734 102.5 80.5 -63.4 -22.1 5.4 53.7 46.3 104 192 A S G 3 S+ 0 0 5 1,-0.3 -1,-0.3 160,-0.2 156,-0.1 0.598 75.3 72.1 -66.6 -9.9 3.1 51.7 48.6 105 193 A L G X + 0 0 0 -3,-1.4 3,-1.9 149,-0.1 5,-0.3 0.709 70.0 115.6 -73.8 -19.7 5.8 49.0 48.8 106 194 A K T < S- 0 0 153 -3,-2.2 25,-0.0 1,-0.3 162,-0.0 -0.314 91.5 -2.9 -57.5 127.3 7.9 51.3 51.0 107 195 A S T 3 S+ 0 0 81 1,-0.1 -1,-0.3 -2,-0.0 -2,-0.1 0.765 94.5 124.7 60.5 30.2 8.2 49.8 54.5 108 196 A S < - 0 0 16 -3,-1.9 -2,-0.1 197,-0.0 26,-0.1 0.596 63.4-142.1 -88.1 -16.1 6.0 46.8 53.6 109 197 A Q + 0 0 161 -4,-0.3 3,-0.4 1,-0.1 4,-0.3 0.803 56.8 134.6 57.0 35.2 8.6 44.2 54.6 110 198 A L >> + 0 0 7 24,-0.6 4,-2.8 -5,-0.3 3,-0.6 0.655 35.9 102.9 -84.4 -15.1 7.7 41.9 51.7 111 199 A G H 3> S+ 0 0 2 22,-1.8 4,-0.9 1,-0.3 26,-0.3 0.693 83.2 40.1 -42.9 -39.7 11.3 41.3 50.7 112 200 A R H 34 S+ 0 0 212 21,-0.4 4,-0.5 -3,-0.4 -1,-0.3 0.876 116.6 49.8 -79.4 -38.6 11.7 37.9 52.2 113 201 A E H X4 S+ 0 0 60 -3,-0.6 3,-1.2 -4,-0.3 -2,-0.2 0.918 110.4 49.2 -67.8 -43.9 8.2 36.7 51.1 114 202 A I H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.853 107.1 57.9 -61.1 -35.5 8.7 37.8 47.5 115 203 A D T 3< S+ 0 0 56 -4,-0.9 -1,-0.3 -5,-0.4 -2,-0.2 0.618 91.7 71.7 -68.7 -14.9 12.1 36.0 47.6 116 204 A D T < S+ 0 0 96 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 0.395 78.2 94.5 -90.0 6.9 10.4 32.8 48.4 117 205 A H S < S- 0 0 8 -3,-1.2 -21,-0.2 1,-0.1 3,-0.1 -0.718 81.9-125.4 -91.8 147.0 8.9 32.4 44.9 118 206 A D S S+ 0 0 98 -23,-1.0 2,-0.3 -2,-0.3 -22,-0.2 0.746 95.7 18.8 -59.4 -24.4 10.7 30.3 42.2 119 207 A A E -c 96 0B 0 -24,-1.3 -22,-2.1 -5,-0.1 2,-0.4 -0.980 66.9-157.0-155.5 139.0 10.5 33.4 40.0 120 208 A V E -c 97 0B 0 -2,-0.3 20,-2.3 -24,-0.2 21,-2.0 -0.964 5.1-154.8-125.6 131.3 10.1 37.1 40.3 121 209 A L E +cd 98 141B 0 -24,-2.4 -22,-2.7 -2,-0.4 2,-0.2 -0.882 17.2 173.4-105.9 125.6 8.9 39.7 37.7 122 210 A R E - 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