==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-SEP-13 4MPS . COMPND 2 MOLECULE: BETA-GALACTOSIDE ALPHA-2,6-SIALYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR F.FOROUHAR,L.MENG,S.MILANINIA,J.SEETHARAMAN,M.SU,G.KORNHABER . 566 5 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25502.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.5 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 . 32 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 3 4 1 0 1 4 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 0 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 0 PARALLEL BRIDGES PER LADDER . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 104 A P 0 0 146 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-145.7 -1.1 -53.4 9.0 2 105 A R > + 0 0 159 1,-0.1 3,-0.9 2,-0.1 4,-0.1 0.134 360.0 98.6-117.1 15.3 -3.0 -50.6 10.5 3 106 A L T >> + 0 0 38 1,-0.2 4,-1.6 2,-0.2 3,-1.3 0.307 49.6 100.4 -83.7 6.4 -0.8 -47.9 9.1 4 107 A L H 3> S+ 0 0 127 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.774 73.0 68.0 -60.0 -24.3 -3.3 -47.4 6.4 5 108 A K H <> S+ 0 0 57 -3,-0.9 4,-1.4 2,-0.2 -1,-0.3 0.837 98.7 47.8 -63.6 -37.0 -4.2 -44.5 8.6 6 109 A I H <> S+ 0 0 15 -3,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.919 114.4 43.8 -72.3 -44.3 -0.9 -42.8 7.7 7 110 A W H X S+ 0 0 145 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.837 111.8 54.3 -70.2 -30.7 -1.3 -43.3 4.0 8 111 A R H X S+ 0 0 77 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.878 105.3 55.9 -66.7 -36.1 -4.9 -42.3 4.2 9 112 A N H X S+ 0 0 23 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.873 106.9 49.4 -63.5 -38.6 -3.6 -39.2 5.9 10 113 A Y H < S+ 0 0 59 -4,-1.5 4,-0.3 2,-0.2 -1,-0.2 0.852 109.0 50.2 -72.6 -34.6 -1.3 -38.5 2.9 11 114 A L H < S- 0 0 129 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.899 135.3 -1.0 -76.4 -35.1 -3.9 -38.8 0.2 12 115 A N H < S+ 0 0 99 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.271 131.1 45.8-140.3 18.3 -6.6 -36.6 1.6 13 116 A X < + 0 0 24 -4,-1.8 2,-2.4 -5,-0.2 3,-0.2 0.005 53.7 142.0-150.4 36.3 -5.5 -35.1 4.9 14 117 A N > + 0 0 28 -4,-0.3 3,-2.0 1,-0.2 -4,-0.1 -0.456 21.9 173.7 -80.7 70.5 -1.9 -33.9 4.6 15 118 A K T 3 S+ 0 0 55 -2,-2.4 -1,-0.2 1,-0.3 198,-0.1 0.769 78.6 35.8 -49.1 -34.1 -2.6 -30.8 6.8 16 119 A Y T 3 S- 0 0 5 196,-0.4 140,-2.6 -3,-0.2 -1,-0.3 0.340 104.7-125.5-105.1 6.0 1.1 -29.8 6.8 17 120 A K < - 0 0 127 -3,-2.0 2,-0.4 1,-0.2 -2,-0.1 0.944 35.3-167.1 50.7 56.0 1.9 -30.8 3.3 18 121 A V + 0 0 3 194,-0.2 2,-0.4 1,-0.0 -1,-0.2 -0.640 14.1 179.3 -78.8 128.6 4.8 -33.1 4.3 19 122 A S - 0 0 62 -2,-0.4 2,-0.5 193,-0.0 -1,-0.0 -0.776 13.3-159.1-129.4 84.6 7.0 -34.1 1.3 20 123 A Y + 0 0 50 -2,-0.4 -2,-0.0 1,-0.2 4,-0.0 -0.528 23.5 163.1 -73.7 117.8 9.8 -36.3 2.7 21 124 A K + 0 0 179 -2,-0.5 -1,-0.2 2,-0.0 3,-0.1 0.341 40.6 105.6-113.0 6.1 12.7 -36.4 0.3 22 125 A G S S- 0 0 33 1,-0.2 2,-0.2 178,-0.0 179,-0.0 -0.016 89.3 -45.6 -76.9-175.6 15.4 -37.7 2.6 23 126 A P S S- 0 0 70 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 -0.350 78.2-100.0 -55.0 115.4 17.0 -41.2 2.8 24 127 A G > - 0 0 47 -2,-0.2 3,-0.5 -3,-0.1 -3,-0.0 0.071 55.0 -77.7 -34.3 148.5 14.0 -43.6 2.7 25 128 A P T 3 S+ 0 0 50 0, 0.0 180,-0.2 0, 0.0 179,-0.2 -0.057 109.9 54.7 -52.4 152.9 13.0 -44.9 6.2 26 129 A G T 3 + 0 0 44 180,-0.6 179,-0.2 177,-0.4 2,-0.2 0.404 61.6 158.9 102.8 -0.6 15.1 -47.6 7.7 27 130 A V < - 0 0 48 177,-2.2 2,-0.3 -3,-0.5 -1,-0.3 -0.394 38.7-130.6 -61.3 124.3 18.6 -46.1 7.6 28 131 A K - 0 0 193 -2,-0.2 2,-0.4 178,-0.0 -1,-0.1 -0.631 28.7-177.8 -80.5 131.9 20.8 -47.8 10.2 29 132 A F - 0 0 41 -2,-0.3 2,-0.0 176,-0.1 176,-0.0 -0.994 23.6-133.0-132.7 134.0 22.7 -45.5 12.5 30 133 A S > - 0 0 64 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.362 40.3-102.2 -73.6 168.3 25.2 -46.4 15.3 31 134 A V H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.928 120.8 45.9 -60.7 -47.4 24.5 -44.5 18.5 32 135 A E H > S+ 0 0 138 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.897 112.3 51.0 -65.4 -38.1 27.3 -42.0 18.0 33 136 A A H > S+ 0 0 37 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.948 109.1 50.1 -63.9 -47.8 26.4 -41.3 14.3 34 137 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.878 109.6 53.3 -56.4 -38.6 22.8 -40.7 15.1 35 138 A R H X S+ 0 0 38 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.895 111.3 44.3 -64.9 -41.2 23.9 -38.3 17.8 36 139 A a H X S+ 0 0 21 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.889 112.4 51.7 -70.2 -41.4 26.1 -36.3 15.4 37 140 A H H X S+ 0 0 33 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.951 111.8 47.4 -59.3 -49.5 23.4 -36.3 12.7 38 141 A L H X S+ 0 0 2 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.871 114.0 49.2 -59.1 -38.5 20.9 -34.9 15.3 39 142 A R H < S+ 0 0 99 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.897 117.2 38.1 -70.4 -41.9 23.5 -32.4 16.3 40 143 A D H < S+ 0 0 80 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.796 123.7 36.3 -83.3 -26.6 24.3 -31.1 12.9 41 144 A H H < S+ 0 0 98 -4,-2.6 2,-0.6 -5,-0.2 -1,-0.2 0.368 98.6 72.6-113.0 6.5 20.9 -31.2 11.2 42 145 A V < - 0 0 6 -4,-0.9 2,-1.3 -5,-0.2 -1,-0.1 -0.880 68.5-160.2-119.4 95.8 18.4 -30.2 13.8 43 146 A N - 0 0 71 -2,-0.6 2,-1.1 -3,-0.1 151,-0.1 -0.624 3.0-164.9 -82.5 96.2 19.0 -26.5 14.3 44 147 A V + 0 0 6 -2,-1.3 2,-0.3 179,-0.1 -2,-0.1 -0.689 34.7 132.2 -86.4 99.3 17.5 -25.6 17.6 45 148 A S - 0 0 34 -2,-1.1 146,-1.9 146,-0.1 2,-0.2 -0.900 48.7-118.7-139.5 167.3 17.2 -21.8 17.5 46 149 A X B -A 190 0A 2 -2,-0.3 2,-0.4 144,-0.2 144,-0.2 -0.635 40.4 -86.6-106.6 165.5 14.6 -19.2 18.4 47 150 A I - 0 0 4 142,-2.5 142,-0.3 -2,-0.2 2,-0.2 -0.590 49.5-148.9 -72.3 126.8 13.0 -16.6 16.1 48 151 A E > - 0 0 70 -2,-0.4 3,-1.5 1,-0.1 6,-0.2 -0.504 23.9-111.5 -94.4 167.2 15.2 -13.5 16.1 49 152 A A T 3 S+ 0 0 57 1,-0.3 -1,-0.1 15,-0.2 10,-0.1 0.560 115.9 64.0 -72.8 -8.8 14.2 -9.8 15.7 50 153 A T T 3 S+ 0 0 120 2,-0.1 2,-0.8 5,-0.1 -1,-0.3 0.433 80.5 99.2 -93.0 0.8 15.9 -9.8 12.3 51 154 A D S X S- 0 0 44 -3,-1.5 3,-2.7 3,-0.1 4,-0.1 -0.787 85.5 -93.7 -91.9 106.9 13.4 -12.4 11.0 52 155 A F T 3 S+ 0 0 117 -2,-0.8 -2,-0.1 1,-0.4 -4,-0.1 -0.253 108.6 22.1 -56.4 142.5 10.7 -10.7 9.0 53 156 A P T > S+ 0 0 10 0, 0.0 3,-1.5 0, 0.0 6,-0.4 -0.904 117.8 66.6 -89.3 19.4 8.0 -9.7 10.0 54 157 A F T < S+ 0 0 2 -3,-2.7 -2,-0.2 1,-0.3 9,-0.2 0.458 94.0 64.2 -76.7 0.4 9.5 -9.6 13.5 55 158 A N T 3 S+ 0 0 92 -5,-0.2 -1,-0.3 5,-0.1 -3,-0.1 0.255 88.1 96.6-103.1 8.6 11.7 -6.8 12.3 56 159 A T S X> S- 0 0 29 -3,-1.5 4,-0.6 1,-0.1 3,-0.5 -0.414 92.1 -99.2 -94.0 174.0 8.7 -4.6 11.7 57 160 A T T 34 S+ 0 0 126 1,-0.2 3,-0.4 2,-0.2 -1,-0.1 0.804 118.9 60.5 -61.2 -34.0 7.2 -1.9 13.9 58 161 A E T 34 S+ 0 0 124 1,-0.2 -1,-0.2 -5,-0.1 -4,-0.1 0.879 115.4 33.2 -63.1 -38.5 4.4 -4.2 15.1 59 162 A W T X> S+ 0 0 6 -3,-0.5 3,-1.7 -6,-0.4 4,-0.7 0.378 86.0 129.9-100.4 4.6 7.0 -6.6 16.6 60 163 A E T 3< S+ 0 0 142 -4,-0.6 -5,-0.1 -3,-0.4 -3,-0.0 -0.404 82.6 3.6 -63.9 123.8 9.6 -4.0 17.6 61 164 A G T 34 S+ 0 0 60 -2,-0.2 -1,-0.3 3,-0.1 4,-0.1 0.396 106.5 97.9 83.8 -3.2 10.7 -4.5 21.2 62 165 A Y T <4 + 0 0 49 -3,-1.7 -2,-0.1 -8,-0.1 3,-0.1 0.778 63.0 77.6 -88.8 -29.3 8.6 -7.7 21.8 63 166 A L S < S- 0 0 17 -4,-0.7 125,-0.1 -9,-0.2 -15,-0.1 -0.432 100.2 -75.8 -79.2 157.2 11.2 -10.4 21.2 64 167 A P - 0 0 21 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.113 36.8-131.0 -50.7 148.1 13.7 -11.3 23.9 65 168 A K S S+ 0 0 194 -3,-0.1 2,-0.2 -4,-0.1 -2,-0.1 0.983 84.7 46.1 -65.5 -60.0 16.6 -8.8 24.4 66 169 A E S S- 0 0 73 1,-0.1 5,-0.1 2,-0.1 0, 0.0 -0.536 95.4 -92.1 -92.5 153.9 19.5 -11.3 24.4 67 170 A N - 0 0 67 -2,-0.2 5,-0.2 3,-0.2 -1,-0.1 -0.213 33.6-122.2 -57.2 145.7 20.3 -14.3 22.1 68 171 A F S >> S+ 0 0 3 1,-0.2 4,-2.3 3,-0.1 3,-0.7 0.943 110.9 44.6 -57.1 -52.1 18.9 -17.6 23.3 69 172 A R T 34 S+ 0 0 84 1,-0.3 2,-0.8 2,-0.2 -1,-0.2 0.859 110.2 55.6 -62.5 -37.8 22.3 -19.3 23.4 70 173 A T T 34 S+ 0 0 104 1,-0.1 -1,-0.3 0, 0.0 -3,-0.2 -0.315 119.5 28.8 -93.2 50.8 24.0 -16.4 25.1 71 174 A K T <4 S+ 0 0 94 -2,-0.8 2,-0.6 -3,-0.7 -2,-0.2 0.177 105.3 66.7-166.8 -51.1 21.6 -16.4 28.0 72 175 A V S < S- 0 0 1 -4,-2.3 -1,-0.3 -5,-0.2 3,-0.1 -0.804 89.8 -84.4 -94.2 121.6 20.2 -19.8 28.7 73 176 A G - 0 0 26 -2,-0.6 2,-0.2 1,-0.2 -2,-0.1 -0.146 14.0-152.9 65.1-161.0 22.7 -22.4 30.0 74 177 A P + 0 0 86 0, 0.0 2,-0.3 0, 0.0 155,-0.2 0.610 40.5 179.4 -76.6-179.3 24.6 -24.3 29.3 75 178 A W E -b 229 0B 52 153,-2.8 155,-1.0 -2,-0.2 3,-0.1 -0.893 32.8-135.3-139.4 166.6 24.5 -26.8 32.2 76 179 A Q E S+ 0 0 128 1,-0.3 155,-2.3 -2,-0.3 154,-0.7 0.923 90.5 24.2 -87.9 -57.8 26.2 -30.0 33.3 77 180 A R E S+b 231 0B 72 153,-0.2 23,-1.8 152,-0.1 24,-1.4 -0.937 71.4 173.3-116.8 131.3 23.2 -32.1 34.5 78 181 A b E -bc 232 101B 0 153,-1.4 155,-3.4 -2,-0.4 2,-0.4 -0.935 17.2-150.2-135.1 159.1 19.6 -31.6 33.4 79 182 A A E -bc 233 102B 0 22,-2.0 24,-2.3 -2,-0.3 2,-0.5 -0.979 2.8-157.9-132.0 140.2 16.3 -33.3 33.7 80 183 A V E -bc 234 103B 3 153,-3.4 155,-3.3 -2,-0.4 2,-0.6 -0.984 15.7-164.7-115.5 119.4 13.3 -33.5 31.4 81 184 A V E -b 235 0B 1 22,-2.2 24,-0.4 -2,-0.5 155,-0.1 -0.940 5.4-151.9-111.2 117.8 10.1 -34.2 33.2 82 185 A S - 0 0 17 153,-2.0 155,-0.1 -2,-0.6 5,-0.0 -0.273 23.0-120.7 -76.6 171.9 7.0 -35.3 31.2 83 186 A S + 0 0 19 153,-0.1 165,-1.8 164,-0.1 166,-0.4 0.254 63.4 140.0 -98.8 11.9 3.5 -34.6 32.5 84 187 A A B > -H 247 0C 26 163,-0.3 3,-1.4 152,-0.2 163,-0.3 -0.204 60.9-131.2 -58.4 142.6 2.6 -38.3 32.6 85 188 A G G > S+ 0 0 8 161,-3.0 3,-2.2 1,-0.3 162,-0.2 0.603 98.2 87.9 -69.8 -9.9 0.5 -39.6 35.5 86 189 A S G 3 S+ 0 0 3 1,-0.3 -1,-0.3 160,-0.3 156,-0.2 0.561 76.8 67.8 -64.7 -7.1 3.2 -42.3 35.7 87 190 A L G X S+ 0 0 0 -3,-1.4 3,-1.4 149,-0.1 4,-0.4 0.567 72.3 109.9 -89.1 -12.6 5.0 -39.9 37.9 88 191 A K T < S+ 0 0 80 -3,-2.2 161,-0.0 1,-0.3 25,-0.0 -0.499 93.3 4.4 -66.7 130.4 2.4 -40.2 40.7 89 192 A N T 3 S+ 0 0 132 -2,-0.2 -1,-0.3 1,-0.1 27,-0.1 0.855 96.4 120.8 61.7 37.6 3.9 -42.0 43.7 90 193 A S < - 0 0 13 -3,-1.4 -2,-0.1 152,-0.0 26,-0.1 0.703 60.8-148.8 -98.9 -28.5 7.3 -42.1 42.0 91 194 A Q + 0 0 96 -4,-0.4 3,-0.5 1,-0.1 4,-0.4 0.695 56.1 131.0 65.8 19.4 9.2 -40.2 44.7 92 195 A L > + 0 0 6 24,-0.4 4,-3.0 -5,-0.3 24,-0.3 0.524 37.4 99.7 -80.1 -5.3 11.4 -38.8 42.0 93 196 A G H > S+ 0 0 1 22,-2.1 4,-2.1 1,-0.2 26,-0.3 0.910 83.3 44.8 -45.0 -56.3 11.0 -35.3 43.3 94 197 A R H > S+ 0 0 211 21,-0.5 4,-1.3 -3,-0.5 3,-0.5 0.972 114.3 47.6 -54.1 -61.4 14.3 -35.3 45.2 95 198 A E H >4 S+ 0 0 62 -4,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.881 110.6 53.9 -47.5 -46.6 16.3 -36.8 42.4 96 199 A I H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.882 105.7 50.2 -59.2 -43.3 14.8 -34.4 39.9 97 200 A D H 3< S+ 0 0 45 -4,-2.1 2,-1.9 -3,-0.5 -1,-0.3 0.744 92.1 83.0 -69.3 -18.6 15.7 -31.3 41.9 98 201 A N S << S+ 0 0 105 -4,-1.3 2,-0.3 -3,-0.6 -1,-0.2 -0.292 78.8 86.7 -81.7 53.0 19.2 -32.7 42.0 99 202 A H S S- 0 0 7 -2,-1.9 -21,-0.2 -3,-0.2 3,-0.1 -0.961 81.8-122.8-145.1 157.5 20.0 -31.3 38.6 100 203 A D S S+ 0 0 79 -23,-1.8 2,-0.3 -2,-0.3 -22,-0.2 0.925 95.9 15.8 -69.8 -45.1 21.3 -28.0 37.4 101 204 A A E -c 78 0B 0 -24,-1.4 -22,-2.0 -3,-0.1 2,-0.4 -0.975 64.7-160.3-134.6 147.5 18.3 -27.3 35.1 102 205 A V E -c 79 0B 0 -2,-0.3 21,-2.4 -24,-0.2 20,-2.1 -0.981 3.8-159.1-127.9 135.8 14.8 -28.7 34.8 103 206 A L E +cd 80 123B 0 -24,-2.3 -22,-2.2 -2,-0.4 2,-0.2 -0.974 14.4 179.4-119.3 127.2 12.5 -28.5 31.8 104 207 A R E - d 0 124B 2 19,-2.1 21,-2.1 -2,-0.5 2,-0.4 -0.706 23.0-111.5-118.2 170.9 8.7 -29.0 32.2 105 208 A F E > - d 0 125B 11 -24,-0.4 3,-2.7 -2,-0.2 21,-0.2 -0.853 54.7 -51.7-115.8 143.4 5.8 -28.9 29.8 106 209 A N T 3 S- 0 0 38 19,-3.0 -2,-0.1 -2,-0.4 20,-0.1 -0.062 119.6 -12.6 41.9-120.9 2.9 -26.6 29.2 107 210 A G T 3 S+ 0 0 12 2,-0.0 -1,-0.3 17,-0.0 19,-0.1 0.276 83.2 152.5 -94.7 12.0 1.0 -26.1 32.5 108 211 A A < - 0 0 2 -3,-2.7 2,-0.1 1,-0.1 -4,-0.0 -0.167 35.1-148.1 -45.4 107.4 2.7 -28.9 34.5 109 212 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 8,-0.0 -0.364 21.8-167.6 -80.2 160.6 2.5 -27.6 38.2 110 213 A T >> + 0 0 21 9,-0.1 3,-2.4 -2,-0.1 4,-0.7 0.619 55.7 108.3-115.3 -28.2 5.0 -28.3 40.9 111 214 A D T 34 S+ 0 0 113 1,-0.3 8,-0.0 2,-0.2 31,-0.0 -0.294 96.5 1.1 -54.6 126.5 2.9 -27.1 43.9 112 215 A N T 34 S+ 0 0 147 1,-0.1 -1,-0.3 -2,-0.0 7,-0.1 0.507 125.5 73.3 72.3 4.1 1.7 -30.0 46.0 113 216 A F T X> + 0 0 57 -3,-2.4 4,-2.9 5,-0.2 3,-1.6 0.273 56.3 114.4-127.8 7.7 3.5 -32.4 43.7 114 217 A Q H 3X + 0 0 76 -4,-0.7 4,-2.3 1,-0.3 -17,-0.1 0.841 69.5 60.1 -48.8 -46.2 7.2 -31.8 44.7 115 218 A Q H 34 S+ 0 0 113 1,-0.2 -22,-2.1 2,-0.2 -21,-0.5 0.746 120.4 27.4 -58.9 -22.8 7.9 -35.2 46.2 116 219 A D H <4 S+ 0 0 19 -3,-1.6 -24,-0.4 -24,-0.3 -2,-0.2 0.807 136.6 21.9-105.6 -44.3 7.1 -36.8 42.8 117 220 A V H < S- 0 0 0 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.363 103.7-115.6-110.7 4.6 7.9 -34.2 40.1 118 221 A G < - 0 0 0 -4,-2.3 -1,-0.3 -5,-0.4 -2,-0.2 -0.235 15.0-107.1 88.1 179.6 10.3 -31.9 41.9 119 222 A S S S+ 0 0 56 -26,-0.3 2,-0.3 -25,-0.1 -1,-0.1 0.400 83.8 90.6-128.4 -2.9 9.9 -28.2 42.8 120 223 A K - 0 0 63 -3,-0.1 2,-0.3 -6,-0.1 -19,-0.0 -0.728 44.4-177.0-102.5 146.8 12.2 -26.6 40.3 121 224 A T + 0 0 2 -2,-0.3 -18,-0.2 1,-0.1 3,-0.1 -0.881 12.7 162.1-143.5 107.2 11.4 -25.3 36.8 122 225 A T S S+ 0 0 27 -20,-2.1 25,-3.1 1,-0.3 2,-0.4 0.879 73.8 16.6 -89.3 -49.5 14.3 -23.8 34.7 123 226 A I E -de 103 147B 0 -21,-2.4 -19,-2.1 23,-0.2 2,-0.5 -0.974 65.1-158.7-129.2 142.8 12.7 -23.9 31.2 124 227 A R E -de 104 148B 3 23,-2.7 25,-2.4 -2,-0.4 2,-0.5 -0.931 4.5-162.2-129.1 106.6 9.1 -24.3 30.3 125 228 A L E -de 105 149B 0 -21,-2.1 -19,-3.0 -2,-0.5 2,-0.3 -0.784 17.0-178.9 -91.1 123.7 8.1 -25.6 26.8 126 229 A X E - e 0 150B 0 23,-3.0 25,-1.9 -2,-0.5 2,-0.2 -0.922 26.4-119.7-126.9 150.4 4.5 -24.9 25.8 127 230 A N E >> - e 0 151B 26 -2,-0.3 4,-1.5 23,-0.2 3,-0.8 -0.541 26.0-123.1 -80.8 149.2 2.3 -25.6 22.8 128 231 A S H 3> S+ 0 0 1 23,-2.0 4,-1.6 1,-0.3 5,-0.2 0.777 112.7 66.5 -62.9 -23.7 0.9 -22.6 20.9 129 232 A Q H 3> S+ 0 0 84 22,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.896 101.3 46.9 -62.9 -41.6 -2.5 -24.3 21.6 130 233 A L H <> S+ 0 0 23 -3,-0.8 4,-2.8 2,-0.2 7,-0.2 0.983 112.7 45.6 -64.7 -58.5 -2.0 -23.7 25.3 131 234 A V H < S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.767 118.3 46.3 -58.0 -27.1 -1.0 -20.0 25.1 132 235 A T H < S+ 0 0 19 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.910 123.5 27.8 -82.6 -45.1 -3.8 -19.4 22.7 133 236 A T H < S+ 0 0 12 -4,-2.4 437,-2.6 -5,-0.2 2,-0.9 0.611 101.3 83.9 -96.1 -13.3 -6.7 -21.1 24.4 134 237 A E >< - 0 0 16 -4,-2.8 3,-1.7 -5,-0.2 4,-0.3 -0.784 46.7-177.1-100.0 101.3 -5.8 -21.0 28.1 135 238 A K G > S+ 0 0 89 435,-3.5 3,-1.7 -2,-0.9 4,-0.3 0.811 82.4 69.1 -60.7 -30.8 -6.8 -17.7 29.8 136 239 A R G >> S+ 0 0 113 434,-0.4 4,-2.5 1,-0.3 3,-1.4 0.723 82.1 76.7 -61.5 -20.8 -5.1 -18.9 33.0 137 240 A F G <4 S+ 0 0 1 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.816 92.8 50.4 -60.5 -31.2 -1.8 -18.5 31.2 138 241 A L G <4 S+ 0 0 51 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.521 124.0 26.8 -85.7 -4.8 -2.0 -14.7 31.7 139 242 A K T <4 S+ 0 0 170 -3,-1.4 -2,-0.2 -4,-0.3 -3,-0.1 0.740 88.6 95.7-121.8 -51.7 -2.7 -15.0 35.4 140 243 A D >< - 0 0 60 -4,-2.5 3,-1.2 1,-0.2 4,-0.2 -0.227 63.8-143.9 -50.7 124.5 -1.4 -18.1 37.1 141 244 A S G > S+ 0 0 91 1,-0.2 3,-1.8 2,-0.2 4,-0.3 0.609 86.9 83.5 -70.4 -10.6 2.0 -17.3 38.6 142 245 A L G > S+ 0 0 41 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.816 85.0 59.2 -62.8 -27.8 3.5 -20.7 37.8 143 246 A Y G < S+ 0 0 7 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.604 90.7 74.9 -75.2 -9.2 4.3 -19.4 34.3 144 247 A T G < S+ 0 0 73 -3,-1.8 -1,-0.2 -4,-0.2 2,-0.2 0.662 77.6 91.1 -77.0 -19.1 6.4 -16.7 35.9 145 248 A E S < S- 0 0 84 -3,-1.0 -21,-0.1 -4,-0.3 -23,-0.1 -0.520 88.5 -23.1 -84.0 150.2 9.3 -19.1 36.8 146 249 A G S S- 0 0 29 -2,-0.2 2,-0.3 -23,-0.1 -23,-0.2 0.053 99.8 -32.1 55.4-161.5 12.2 -19.8 34.6 147 250 A I E -e 123 0B 21 -25,-3.1 -23,-2.7 38,-0.1 2,-0.4 -0.715 56.5-145.8 -95.4 142.8 12.5 -19.3 30.9 148 251 A L E -ef 124 187B 0 38,-2.4 40,-2.9 -2,-0.3 2,-0.4 -0.883 15.3-179.6-113.1 142.9 9.5 -19.9 28.5 149 252 A I E -ef 125 188B 0 -25,-2.4 -23,-3.0 -2,-0.4 2,-0.4 -0.997 5.0-169.8-138.4 133.4 9.4 -21.2 25.0 150 253 A V E -ef 126 189B 0 38,-2.2 40,-2.0 -2,-0.4 2,-0.3 -0.959 4.5-169.5-123.9 142.0 6.4 -21.7 22.8 151 254 A W E -e 127 0B 2 -25,-1.9 -23,-2.0 -2,-0.4 -22,-0.2 -0.965 6.8-157.7-133.3 152.8 6.2 -23.5 19.5 152 255 A D - 0 0 7 -2,-0.3 -25,-0.0 38,-0.3 -2,-0.0 -0.985 26.6-113.3-135.5 124.0 3.6 -23.8 16.8 153 256 A P - 0 0 8 0, 0.0 15,-0.9 0, 0.0 2,-0.3 -0.221 43.0-172.5 -51.6 134.8 3.1 -26.6 14.2 154 257 A S - 0 0 4 38,-0.3 3,-0.2 13,-0.1 2,-0.1 -0.818 32.7 -76.3-129.6 169.7 3.8 -25.2 10.8 155 258 A V S > S- 0 0 57 -2,-0.3 3,-3.3 11,-0.3 -138,-0.2 -0.418 78.9 -70.0 -63.3 137.1 3.6 -26.3 7.1 156 259 A Y T 3 S- 0 0 34 -140,-2.6 -1,-0.2 1,-0.3 37,-0.1 0.005 111.7 -21.2 -35.1 109.6 6.4 -28.7 6.3 157 260 A H T 3 S+ 0 0 74 35,-0.2 -1,-0.3 1,-0.2 36,-0.1 0.757 92.1 174.0 55.3 27.7 9.7 -26.6 6.3 158 261 A A < - 0 0 9 -3,-3.3 -1,-0.2 34,-0.2 -4,-0.0 -0.371 34.4-109.9 -66.1 144.9 7.7 -23.4 5.8 159 262 A D > - 0 0 78 1,-0.1 4,-3.1 33,-0.1 5,-0.2 -0.236 30.0-106.9 -66.9 161.2 9.7 -20.2 5.9 160 263 A I H > S+ 0 0 3 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.955 122.3 47.4 -58.8 -49.8 9.2 -18.0 8.9 161 264 A P H > S+ 0 0 35 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.843 114.8 47.4 -60.1 -34.1 7.3 -15.4 6.8 162 265 A K H >> S+ 0 0 134 2,-0.2 4,-1.2 1,-0.1 3,-0.7 0.934 113.5 46.4 -71.5 -48.0 5.2 -18.2 5.3 163 266 A W H >< S+ 0 0 4 -4,-3.1 3,-0.9 1,-0.2 -3,-0.2 0.935 104.4 63.2 -57.6 -49.3 4.4 -19.8 8.7 164 267 A Y H 3< S+ 0 0 62 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.762 103.5 48.0 -48.4 -33.5 3.6 -16.4 10.2 165 268 A Q H << S+ 0 0 153 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.821 122.2 34.2 -79.5 -31.2 0.6 -16.1 7.8 166 269 A K S << S+ 0 0 160 -4,-1.2 -11,-0.3 -3,-0.9 -1,-0.2 -0.535 77.5 169.9-123.3 64.6 -0.7 -19.6 8.5 167 270 A P - 0 0 20 0, 0.0 3,-0.2 0, 0.0 -13,-0.1 -0.479 39.2-130.4 -74.9 147.1 0.0 -20.4 12.2 168 271 A D S S+ 0 0 43 -15,-0.9 2,-0.4 1,-0.3 -14,-0.1 0.926 100.7 15.5 -62.5 -42.0 -1.6 -23.5 13.5 169 272 A Y S S- 0 0 24 -16,-0.1 2,-1.5 -3,-0.0 -1,-0.3 -1.000 83.9-130.2-131.3 127.3 -2.8 -21.5 16.5 170 273 A N + 0 0 105 -2,-0.4 4,-0.2 -3,-0.2 3,-0.2 -0.632 47.6 149.3 -83.4 93.9 -2.8 -17.7 16.3 171 274 A F > + 0 0 0 -2,-1.5 4,-2.6 1,-0.1 5,-0.2 0.349 33.2 106.3-105.3 2.4 -1.1 -16.9 19.6 172 275 A F H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.857 81.1 46.1 -52.6 -45.1 0.7 -13.7 18.7 173 276 A E H > S+ 0 0 128 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.929 114.7 46.9 -66.1 -45.9 -1.6 -11.3 20.6 174 277 A T H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.885 110.7 54.0 -62.9 -37.3 -1.6 -13.4 23.7 175 278 A Y H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.898 110.2 48.0 -61.8 -41.4 2.2 -13.7 23.4 176 279 A K H X S+ 0 0 14 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.946 109.0 51.0 -65.1 -50.2 2.4 -9.9 23.2 177 280 A S H X S+ 0 0 38 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.894 109.7 51.6 -55.4 -43.1 0.1 -9.3 26.3 178 281 A Y H X S+ 0 0 4 -4,-2.1 4,-3.2 1,-0.2 -1,-0.2 0.913 104.8 55.7 -62.0 -43.8 2.2 -11.7 28.4 179 282 A R H < S+ 0 0 24 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.908 107.6 49.6 -55.7 -43.2 5.4 -9.9 27.4 180 283 A R H < S+ 0 0 132 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.919 113.9 45.0 -62.9 -44.7 4.0 -6.6 28.7 181 284 A L H < S+ 0 0 114 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.899 129.2 26.5 -66.3 -41.2 3.0 -8.2 32.0 182 285 A N S >< S+ 0 0 33 -4,-3.2 3,-0.8 -5,-0.2 -1,-0.3 -0.551 72.4 160.6-123.5 66.5 6.2 -10.0 32.4 183 286 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.713 73.3 51.3 -59.4 -24.5 8.8 -7.9 30.5 184 287 A S T 3 S+ 0 0 110 -3,-0.1 -5,-0.1 -4,-0.1 -2,-0.1 0.748 86.1 94.9 -89.0 -22.1 11.8 -9.3 32.2 185 288 A Q S < S- 0 0 12 -3,-0.8 2,-0.1 -6,-0.1 -3,-0.1 -0.567 80.4-121.7 -76.9 120.3 11.1 -13.0 31.7 186 289 A P + 0 0 18 0, 0.0 -38,-2.4 0, 0.0 2,-0.4 -0.391 36.7 176.2 -59.6 128.7 12.8 -14.5 28.7 187 290 A F E -f 148 0B 1 -40,-0.2 -38,-0.2 -2,-0.1 2,-0.2 -0.859 7.4-174.3-142.0 99.3 10.0 -15.9 26.4 188 291 A Y E -f 149 0B 3 -40,-2.9 -38,-2.2 -2,-0.4 2,-0.5 -0.518 21.6-136.4 -98.7 165.3 11.1 -17.3 23.1 189 292 A I E -f 150 0B 3 -142,-0.3 -142,-2.5 -40,-0.2 -38,-0.2 -0.971 27.0-124.6-120.7 117.0 9.4 -18.7 20.0 190 293 A L B -A 46 0A 5 -40,-2.0 -38,-0.3 -2,-0.5 -144,-0.2 -0.258 35.8-100.3 -57.8 144.0 10.9 -21.9 18.5 191 294 A K > - 0 0 43 -146,-1.9 3,-0.9 -148,-0.1 -1,-0.1 -0.511 28.9-124.1 -67.4 137.0 11.8 -21.5 14.8 192 295 A P T 3 S+ 0 0 5 0, 0.0 4,-0.5 0, 0.0 -38,-0.3 0.778 106.1 53.5 -50.1 -33.5 9.0 -23.1 12.7 193 296 A Q T 3> S+ 0 0 29 1,-0.2 4,-2.1 2,-0.1 3,-0.4 0.781 85.6 77.3 -77.7 -31.6 11.6 -25.4 11.0 194 297 A X H <> S+ 0 0 1 -3,-0.9 4,-1.9 1,-0.2 5,-0.2 0.871 92.7 53.0 -53.0 -40.4 13.3 -27.1 13.9 195 298 A P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.933 112.5 44.8 -61.9 -40.9 10.4 -29.5 14.5 196 299 A W H > S+ 0 0 1 -4,-0.5 4,-2.6 -3,-0.4 -2,-0.2 0.802 107.8 57.0 -72.3 -29.2 10.4 -30.6 10.9 197 300 A E H X S+ 0 0 46 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.885 113.1 42.5 -67.0 -36.5 14.2 -30.9 10.8 198 301 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 3,-0.3 0.905 111.1 54.8 -73.5 -43.3 13.9 -33.3 13.7 199 302 A W H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.921 104.0 56.8 -53.5 -47.6 10.9 -35.1 12.1 200 303 A D H X S+ 0 0 32 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.860 108.0 46.2 -54.8 -40.4 13.0 -35.7 9.0 201 304 A I H X S+ 0 0 4 -4,-1.0 4,-1.7 -3,-0.3 -1,-0.2 0.930 110.5 52.3 -71.7 -41.6 15.6 -37.5 11.1 202 305 A I H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 3,-0.3 0.932 113.4 45.1 -57.2 -46.3 13.0 -39.6 12.9 203 306 A Q H >< S+ 0 0 1 -4,-2.9 3,-0.7 1,-0.2 -177,-0.4 0.923 106.4 60.7 -63.8 -44.1 11.5 -40.6 9.6 204 307 A E H 3< S+ 0 0 19 -4,-2.2 -177,-2.2 -5,-0.2 -1,-0.2 0.846 115.0 33.1 -51.7 -38.9 14.9 -41.3 8.1 205 308 A I H 3< S+ 0 0 37 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.521 95.2 107.3 -98.5 -8.0 15.7 -44.0 10.8 206 309 A S S << S- 0 0 9 -4,-1.1 -180,-0.6 -3,-0.7 -179,-0.2 -0.417 77.2-119.8 -75.8 150.4 12.2 -45.4 11.3 207 310 A A S S- 0 0 82 -182,-0.2 2,-0.2 -181,-0.1 -1,-0.1 0.868 88.9 -18.0 -52.0 -43.1 11.1 -48.9 10.0 208 311 A D S S- 0 0 58 1,-0.1 -182,-0.1 -184,-0.0 -2,-0.1 -0.828 101.1 -30.8-150.6-170.7 8.4 -47.2 7.9 209 312 A L - 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