==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-NOV-12 4I2D . COMPND 2 MOLECULE: DNA NUCLEOTIDYLEXOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.GOUGE,M.DELARUE . 357 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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-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 . 24 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 1 1 1 1 2 2 1 0 0 1 0 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 0 1 2 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 1 149 A K 0 0 156 0, 0.0 2,-0.3 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 130.4 23.8 -2.4 -4.2 2 150 A I - 0 0 64 63,-0.3 2,-0.1 1,-0.1 7,-0.1 -0.502 360.0-130.3 -68.1 123.8 23.4 -0.2 -1.1 3 151 A S - 0 0 25 5,-0.4 -1,-0.1 -2,-0.3 5,-0.1 -0.426 7.1-132.2 -73.3 151.4 19.7 0.9 -0.7 4 152 A Q S S+ 0 0 85 -2,-0.1 2,-0.5 62,-0.1 -1,-0.1 0.541 88.5 85.1 -75.6 -11.8 18.7 4.5 -0.2 5 153 A Y S > S- 0 0 8 1,-0.1 3,-1.7 3,-0.1 -2,-0.2 -0.857 70.2-150.1 -99.4 127.5 16.5 3.2 2.7 6 154 A A G > S+ 0 0 0 -2,-0.5 3,-1.7 1,-0.3 -1,-0.1 0.800 98.8 64.8 -60.1 -31.6 18.0 2.7 6.2 7 155 A C G 3 S+ 0 0 1 1,-0.3 -1,-0.3 297,-0.2 297,-0.1 0.572 101.8 49.9 -71.0 -9.7 15.4 -0.1 6.8 8 156 A Q G < S+ 0 0 88 -3,-1.7 -5,-0.4 340,-0.1 2,-0.3 0.044 106.4 72.0-110.8 20.4 17.2 -2.1 4.0 9 157 A R S < S- 0 0 13 -3,-1.7 2,-0.6 346,-0.1 349,-0.1 -0.946 76.4-131.1-132.7 151.9 20.7 -1.5 5.6 10 158 A R - 0 0 118 -2,-0.3 2,-0.6 42,-0.2 346,-0.2 -0.951 25.2-173.6-106.2 116.4 22.3 -2.9 8.7 11 159 A T B +a 356 0A 0 344,-2.8 346,-2.3 -2,-0.6 41,-0.1 -0.913 7.0 179.0-119.1 103.1 23.8 -0.0 10.7 12 160 A T - 0 0 50 -2,-0.6 343,-0.1 39,-0.2 177,-0.1 -0.428 43.2-103.6 -98.4 170.2 25.8 -1.2 13.7 13 161 A L S S+ 0 0 87 341,-0.3 2,-1.9 175,-0.1 342,-0.1 0.590 97.7 94.9 -77.2 -4.9 27.7 0.9 16.3 14 162 A N - 0 0 81 2,-0.0 2,-0.7 37,-0.0 -2,-0.2 -0.589 61.3-177.4 -84.1 79.9 31.1 0.2 14.7 15 163 A N > - 0 0 34 -2,-1.9 3,-0.6 1,-0.1 36,-0.1 -0.760 16.2-176.7 -84.0 113.8 31.1 3.4 12.6 16 164 A Y T 3 S+ 0 0 109 -2,-0.7 3,-0.2 37,-0.6 -1,-0.1 0.466 80.0 54.0 -87.5 -5.2 34.2 3.5 10.4 17 165 A N T >> + 0 0 2 39,-0.1 4,-2.6 36,-0.1 3,-0.8 -0.045 60.1 131.4-122.0 33.0 33.3 6.9 9.0 18 166 A Q H <> S+ 0 0 111 -3,-0.6 4,-2.8 1,-0.3 5,-0.3 0.789 71.1 61.7 -57.8 -32.2 32.9 9.0 12.2 19 167 A L H 3> S+ 0 0 107 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.910 114.4 34.3 -59.4 -42.8 35.2 11.8 10.7 20 168 A F H <> S+ 0 0 10 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.933 121.2 46.2 -77.0 -50.4 32.6 12.3 7.9 21 169 A T H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -3,-0.2 0.819 107.9 55.2 -69.3 -34.3 29.4 11.6 9.8 22 170 A D H X S+ 0 0 79 -4,-2.8 4,-1.5 -5,-0.2 -1,-0.2 0.920 112.9 44.5 -62.3 -40.5 30.3 13.8 12.9 23 171 A A H X S+ 0 0 7 -4,-0.9 4,-2.1 -5,-0.3 -2,-0.2 0.930 115.3 47.1 -66.4 -44.8 30.8 16.7 10.4 24 172 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.856 110.3 53.4 -66.0 -36.0 27.6 15.9 8.4 25 173 A D H X S+ 0 0 55 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.839 109.9 48.0 -66.4 -35.9 25.6 15.5 11.7 26 174 A I H X S+ 0 0 31 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.906 113.1 47.5 -69.6 -45.2 26.8 19.0 12.8 27 175 A L H X S+ 0 0 13 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.892 113.0 48.7 -65.0 -39.4 25.8 20.5 9.4 28 176 A A H X S+ 0 0 4 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.909 111.4 49.8 -65.1 -43.6 22.4 18.8 9.6 29 177 A E H X S+ 0 0 65 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.872 110.4 50.3 -64.2 -39.4 21.9 20.1 13.1 30 178 A N H X S+ 0 0 27 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.903 108.3 52.1 -65.7 -42.2 22.8 23.6 12.0 31 179 A D H <>S+ 0 0 19 -4,-2.0 5,-3.0 2,-0.2 -1,-0.2 0.803 108.5 52.2 -64.1 -29.4 20.3 23.4 9.1 32 180 A E H ><5S+ 0 0 83 -4,-1.5 3,-1.4 3,-0.2 -2,-0.2 0.942 111.9 45.4 -67.5 -47.5 17.6 22.3 11.6 33 181 A L H 3<5S+ 0 0 9 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.849 112.5 50.2 -62.7 -39.3 18.4 25.4 13.7 34 182 A R T 3<5S- 0 0 86 -4,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.281 115.3-118.6 -84.3 8.1 18.5 27.7 10.6 35 183 A E T < 5 + 0 0 160 -3,-1.4 2,-1.1 1,-0.2 -3,-0.2 0.711 68.8 141.6 58.4 28.4 15.0 26.2 9.6 36 184 A N >< + 0 0 81 -5,-3.0 4,-2.1 1,-0.2 -1,-0.2 -0.715 20.8 172.0 -97.2 79.5 16.5 24.8 6.4 37 185 A E H > S+ 0 0 67 -2,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.824 72.0 53.1 -57.7 -40.0 14.5 21.4 6.5 38 186 A G H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 111.9 42.0 -64.9 -50.7 15.7 20.4 2.9 39 187 A S H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.865 113.9 55.7 -66.5 -34.7 19.4 20.8 3.5 40 188 A C H X S+ 0 0 8 -4,-2.1 4,-2.3 -9,-0.2 -2,-0.2 0.939 108.3 46.5 -60.1 -51.8 18.9 19.2 6.9 41 189 A L H X S+ 0 0 71 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.870 110.7 52.9 -59.4 -43.7 17.3 16.1 5.4 42 190 A A H X S+ 0 0 53 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.901 112.2 44.3 -61.6 -43.2 20.1 15.8 2.6 43 191 A F H X S+ 0 0 11 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.874 112.5 52.9 -70.3 -36.2 22.9 15.8 5.3 44 192 A M H X S+ 0 0 24 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.890 110.8 46.2 -65.7 -39.2 20.9 13.3 7.5 45 193 A R H X S+ 0 0 84 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.881 114.3 48.0 -71.5 -38.7 20.5 10.8 4.7 46 194 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.924 113.6 46.7 -65.9 -47.6 24.2 11.1 3.6 47 195 A S H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.927 112.6 51.8 -59.3 -47.1 25.4 10.7 7.2 48 196 A S H X S+ 0 0 3 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.898 108.9 48.2 -56.2 -50.9 23.0 7.7 7.7 49 197 A V H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 4,-0.4 0.904 111.2 50.5 -64.0 -38.6 24.3 5.8 4.6 50 198 A L H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 -34,-0.2 0.876 103.0 60.7 -67.6 -33.3 28.0 6.3 5.5 51 199 A K H 3< S+ 0 0 48 -4,-1.9 -1,-0.2 1,-0.3 -39,-0.2 0.776 100.9 56.5 -60.1 -27.8 27.2 5.0 9.1 52 200 A S T << S+ 0 0 23 -3,-0.9 -1,-0.3 -4,-0.8 -42,-0.2 0.566 82.2 111.6 -80.4 -15.4 26.1 1.7 7.3 53 201 A L < - 0 0 6 -3,-1.4 -37,-0.6 -4,-0.4 -36,-0.1 -0.388 60.7-148.7 -64.6 138.4 29.5 1.1 5.5 54 202 A P S S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.323 82.4 40.5 -87.3 7.2 31.7 -1.8 6.7 55 203 A F S S- 0 0 78 -38,-0.0 2,-0.3 0, 0.0 -39,-0.1 -0.981 90.4 -98.6-147.6 157.6 34.9 0.1 5.8 56 204 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -39,-0.1 -0.603 35.7-117.1 -82.2 141.3 36.2 3.8 6.1 57 205 A I + 0 0 6 -2,-0.3 3,-0.1 1,-0.2 -37,-0.1 -0.601 42.1 164.5 -68.8 126.7 36.1 6.1 3.0 58 206 A T + 0 0 104 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.438 62.5 19.9-125.5 -4.6 39.7 6.9 2.2 59 207 A S S > S- 0 0 46 1,-0.1 3,-0.9 0, 0.0 -1,-0.3 -0.971 79.3-108.4-155.3 163.4 39.3 8.3 -1.4 60 208 A M G > S+ 0 0 58 -2,-0.3 3,-1.9 1,-0.2 4,-0.2 0.829 115.4 67.2 -66.0 -28.3 36.5 9.9 -3.5 61 209 A K G > S+ 0 0 58 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.833 89.6 65.3 -57.8 -35.7 36.5 6.6 -5.6 62 210 A D G < S+ 0 0 50 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.613 91.9 63.6 -63.6 -15.2 35.2 4.8 -2.5 63 211 A T G X S+ 0 0 4 -3,-1.9 3,-1.9 -4,-0.2 -1,-0.3 0.537 74.5 121.0 -88.3 -6.4 31.9 6.9 -2.8 64 212 A E T < S+ 0 0 157 -3,-1.8 -3,-0.0 1,-0.3 0, 0.0 -0.350 81.7 10.3 -61.3 129.8 31.0 5.4 -6.2 65 213 A G T 3 S+ 0 0 77 1,-0.3 -63,-0.3 -2,-0.1 -1,-0.3 0.331 93.5 129.0 82.4 -4.1 27.6 3.6 -6.2 66 214 A I < - 0 0 14 -3,-1.9 3,-0.5 -65,-0.1 -1,-0.3 -0.718 51.5-141.2 -84.1 123.0 26.7 5.0 -2.7 67 215 A P S S+ 0 0 34 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.268 76.2 39.5 -76.4 171.5 23.2 6.7 -2.8 68 216 A C S S+ 0 0 40 1,-0.1 2,-0.6 -19,-0.1 -19,-0.1 0.687 79.7 123.5 65.0 23.3 22.2 9.9 -1.0 69 217 A L - 0 0 14 -3,-0.5 -1,-0.1 -6,-0.1 -26,-0.1 -0.793 39.6-178.0-117.8 87.2 25.6 11.6 -1.7 70 218 A G > - 0 0 43 -2,-0.6 4,-2.4 -28,-0.1 5,-0.1 -0.130 44.1 -92.9 -73.1 174.5 24.8 14.8 -3.6 71 219 A D H > S+ 0 0 139 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.876 125.5 51.0 -59.7 -42.2 27.4 17.3 -4.9 72 220 A K H > S+ 0 0 91 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.927 112.5 47.1 -61.8 -44.8 27.4 19.5 -1.8 73 221 A V H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.902 109.4 53.8 -63.7 -43.3 27.9 16.4 0.4 74 222 A K H X S+ 0 0 67 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.871 105.4 53.9 -63.4 -34.7 30.8 15.1 -1.9 75 223 A S H X S+ 0 0 64 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.872 109.5 48.6 -64.8 -37.4 32.6 18.5 -1.5 76 224 A I H X S+ 0 0 6 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.935 112.7 46.9 -67.6 -44.9 32.4 18.1 2.3 77 225 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.909 111.0 53.2 -60.3 -46.4 33.8 14.4 2.1 78 226 A E H X S+ 0 0 97 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.894 108.0 51.0 -55.6 -45.1 36.6 15.6 -0.3 79 227 A G H X S+ 0 0 18 -4,-1.9 4,-1.5 2,-0.2 6,-0.5 0.829 109.7 48.5 -63.0 -37.8 37.6 18.3 2.2 80 228 A I H X S+ 0 0 3 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.875 109.8 52.5 -72.2 -38.1 37.8 15.8 5.1 81 229 A I H < S+ 0 0 61 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.909 107.7 56.1 -60.6 -42.3 39.9 13.4 3.0 82 230 A E H < S- 0 0 146 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.872 133.6 -4.9 -59.4 -50.9 42.3 16.3 2.2 83 231 A D H < S- 0 0 109 -4,-1.5 -1,-0.2 2,-0.4 -2,-0.2 0.206 94.5-104.3-137.5 20.4 43.3 17.4 5.7 84 232 A G S < S+ 0 0 36 -4,-2.3 2,-0.3 1,-0.2 -4,-0.2 0.504 92.1 88.3 69.6 8.3 41.2 15.3 8.2 85 233 A E S S- 0 0 116 -6,-0.5 2,-0.6 -5,-0.1 -2,-0.4 -0.965 71.4-131.4-134.6 154.9 38.9 18.2 9.0 86 234 A S > - 0 0 12 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 -0.928 11.7-166.7-105.1 113.4 35.7 19.8 7.8 87 235 A S H > S+ 0 0 91 -2,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.871 92.2 53.3 -64.4 -36.8 36.2 23.5 7.4 88 236 A E H > S+ 0 0 71 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.907 111.6 42.7 -63.7 -48.7 32.3 23.8 7.1 89 237 A A H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.868 111.9 56.0 -68.7 -36.0 31.6 21.9 10.3 90 238 A K H X S+ 0 0 48 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.898 106.9 50.0 -57.6 -44.7 34.5 23.8 12.1 91 239 A A H X S+ 0 0 65 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.856 110.2 50.0 -65.0 -36.2 32.8 27.1 11.2 92 240 A V H >< S+ 0 0 13 -4,-1.4 3,-1.0 1,-0.2 -2,-0.2 0.918 108.0 53.1 -69.0 -43.2 29.4 25.8 12.6 93 241 A L H 3< S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.754 113.6 43.7 -63.2 -24.4 31.1 24.8 15.9 94 242 A N H 3< S+ 0 0 108 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.499 89.0 113.0 -98.6 -6.3 32.5 28.4 16.2 95 243 A D S+ 0 0 96 2,-0.2 4,-2.0 -2,-0.2 5,-0.1 0.853 99.0 48.8 -66.6 -39.6 27.5 32.0 18.0 97 245 A R H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.924 113.7 47.0 -66.9 -44.6 23.9 31.1 17.1 98 246 A Y H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.920 112.4 49.2 -62.2 -47.2 24.8 27.4 16.8 99 247 A K H X S+ 0 0 86 -4,-2.4 4,-2.2 -7,-0.2 -1,-0.2 0.893 113.7 47.1 -59.3 -41.6 26.8 27.4 20.1 100 248 A S H X S+ 0 0 3 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.893 111.6 49.3 -66.9 -45.0 23.8 29.2 21.9 101 249 A F H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.919 113.7 46.2 -65.4 -40.0 21.2 26.8 20.5 102 250 A K H X S+ 0 0 81 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.931 116.8 44.7 -63.9 -47.8 23.2 23.7 21.5 103 251 A L H < S+ 0 0 61 -4,-2.2 3,-0.4 -5,-0.2 -2,-0.2 0.918 116.9 43.7 -64.4 -46.8 23.9 25.1 25.0 104 252 A F H >< S+ 0 0 0 -4,-3.1 3,-1.5 1,-0.2 -2,-0.2 0.914 113.1 49.1 -71.2 -43.3 20.3 26.3 25.6 105 253 A T H 3< S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.3 5,-0.2 0.623 93.4 77.9 -72.9 -8.0 18.4 23.2 24.3 106 254 A S T 3< S+ 0 0 47 -4,-0.8 2,-0.4 -3,-0.4 -1,-0.3 0.586 79.8 88.9 -72.0 -10.4 20.8 21.0 26.4 107 255 A V S X S- 0 0 2 -3,-1.5 3,-1.9 -4,-0.1 2,-0.2 -0.790 93.4-114.5 -88.3 128.5 18.5 22.1 29.3 108 256 A F T 3 S+ 0 0 34 -2,-0.4 36,-0.5 36,-0.3 37,-0.1 -0.472 104.6 27.9 -62.2 125.2 15.4 19.8 29.8 109 257 A G T 3 S+ 0 0 23 1,-0.2 2,-0.6 -2,-0.2 32,-0.3 0.314 94.9 110.4 103.4 -6.0 12.4 21.9 28.9 110 258 A V < + 0 0 12 -3,-1.9 -1,-0.2 -5,-0.2 2,-0.1 -0.918 41.1 172.3-109.5 119.5 14.1 24.3 26.4 111 259 A G > - 0 0 38 -2,-0.6 4,-2.4 -3,-0.1 5,-0.2 -0.371 50.8 -75.8-109.3-173.3 13.2 23.9 22.8 112 260 A L H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.867 126.1 50.3 -54.4 -46.2 14.0 25.9 19.6 113 261 A K H > S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 113.9 42.8 -64.2 -46.8 11.6 28.8 20.3 114 262 A T H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.890 114.6 51.5 -67.0 -38.2 12.8 29.5 23.9 115 263 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.905 112.1 46.9 -64.2 -40.9 16.5 29.1 22.8 116 264 A E H X S+ 0 0 62 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.874 111.2 52.0 -65.9 -41.9 15.8 31.6 19.9 117 265 A K H X S+ 0 0 118 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.928 111.6 45.6 -59.7 -50.5 14.1 34.0 22.4 118 266 A W H <>S+ 0 0 3 -4,-2.4 5,-2.3 2,-0.2 3,-0.4 0.874 111.7 52.4 -64.6 -38.7 17.0 33.9 24.8 119 267 A F H ><5S+ 0 0 37 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.928 109.3 48.3 -63.3 -45.9 19.6 34.4 22.0 120 268 A R H 3<5S+ 0 0 130 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.640 105.8 59.5 -72.4 -12.8 17.7 37.5 20.7 121 269 A M T 3<5S- 0 0 105 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.528 124.5-106.6 -85.8 -9.2 17.6 38.9 24.3 122 270 A G T < 5 + 0 0 51 -3,-1.5 2,-0.2 -4,-0.3 -3,-0.2 0.492 69.4 147.4 96.3 7.8 21.4 38.7 24.3 123 271 A F < + 0 0 24 -5,-2.3 -1,-0.3 1,-0.1 -2,-0.1 -0.557 12.2 161.1 -76.2 140.0 21.9 35.7 26.5 124 272 A R + 0 0 93 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.423 58.0 51.9-131.4 -16.6 25.0 33.5 25.8 125 273 A T > - 0 0 66 1,-0.1 4,-1.4 -22,-0.0 -1,-0.2 -0.943 69.6-132.6-128.3 153.4 25.6 31.5 29.0 126 274 A L H > S+ 0 0 18 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.822 108.3 60.8 -70.5 -32.0 23.3 29.3 31.2 127 275 A S H > S+ 0 0 85 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.895 106.3 46.1 -59.0 -42.4 24.7 31.1 34.3 128 276 A K H > S+ 0 0 140 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.827 113.6 49.4 -72.6 -33.1 23.3 34.5 32.9 129 277 A I H >< S+ 0 0 0 -4,-1.4 3,-0.8 1,-0.2 -2,-0.2 0.959 113.1 45.2 -68.5 -51.3 20.0 32.8 32.1 130 278 A Q H 3< S+ 0 0 100 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.766 115.3 46.5 -61.5 -37.4 19.5 31.2 35.6 131 279 A S H 3< S+ 0 0 69 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.503 82.9 116.0 -88.6 -7.0 20.5 34.3 37.6 132 280 A D << - 0 0 54 -3,-0.8 -3,-0.0 -4,-0.6 -4,-0.0 -0.409 53.9-155.4 -64.8 133.5 18.3 36.7 35.5 133 281 A K S S+ 0 0 198 1,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 0.582 88.1 51.4 -91.7 -5.7 15.7 38.2 37.8 134 282 A S S S+ 0 0 102 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.757 86.2 99.1 -98.0 -29.1 13.2 39.1 35.0 135 283 A L - 0 0 20 -6,-0.2 2,-0.4 1,-0.0 -6,-0.0 -0.268 58.9-151.6 -63.1 141.7 13.0 35.7 33.2 136 284 A R - 0 0 224 -2,-0.0 2,-0.4 0, 0.0 -1,-0.0 -0.964 11.7-155.8-118.0 129.6 10.1 33.3 34.0 137 285 A F - 0 0 46 -2,-0.4 2,-0.0 2,-0.0 0, 0.0 -0.876 14.0-123.2-111.5 145.1 10.7 29.6 33.7 138 286 A T > - 0 0 75 -2,-0.4 4,-2.3 -29,-0.1 5,-0.2 -0.306 35.8-107.6 -71.9 160.4 8.2 26.6 33.0 139 287 A Q H > S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.873 123.4 55.0 -59.6 -34.1 8.2 23.8 35.7 140 288 A M H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 109.4 46.1 -62.7 -46.3 10.0 21.6 33.1 141 289 A Q H > S+ 0 0 9 -32,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.861 107.9 56.4 -66.4 -39.2 12.8 24.3 32.7 142 290 A K H X S+ 0 0 104 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.933 112.1 42.8 -57.0 -46.1 13.1 24.7 36.6 143 291 A A H X S+ 0 0 7 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.895 111.1 56.7 -66.2 -40.9 13.7 20.9 36.8 144 292 A G H < S+ 0 0 0 -4,-2.3 -36,-0.3 -36,-0.5 -2,-0.2 0.860 114.4 37.9 -57.5 -40.1 16.1 21.2 33.7 145 293 A F H >< S+ 0 0 17 -4,-2.4 3,-0.9 2,-0.2 4,-0.2 0.871 114.7 53.0 -79.9 -41.9 18.2 23.8 35.6 146 294 A L H 3< S+ 0 0 125 -4,-2.7 -2,-0.2 1,-0.2 3,-0.2 0.872 123.3 28.6 -62.7 -38.3 18.0 22.2 39.1 147 295 A Y T 3X S+ 0 0 39 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.083 86.3 124.8-110.0 21.6 19.2 18.7 37.8 148 296 A Y H <> S+ 0 0 45 -3,-0.9 4,-2.1 1,-0.2 5,-0.2 0.843 70.2 48.2 -48.7 -56.4 21.3 20.1 34.9 149 297 A E H > S+ 0 0 153 -4,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.897 115.4 45.0 -60.2 -41.9 24.7 18.5 35.7 150 298 A D H 4 S+ 0 0 27 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.916 115.2 47.6 -65.4 -46.0 23.2 15.0 36.3 151 299 A L H < S+ 0 0 26 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.780 111.4 50.2 -68.4 -28.7 21.0 15.2 33.1 152 300 A V H < S+ 0 0 71 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.2 0.753 93.2 80.0 -84.5 -24.5 23.9 16.4 30.9 153 301 A S S < S- 0 0 51 -4,-1.3 2,-0.2 -3,-0.2 0, 0.0 -0.730 98.2-118.6 -75.5 115.9 26.2 13.5 32.1 154 302 A C - 0 0 46 -2,-0.6 40,-0.2 1,-0.1 -2,-0.1 -0.515 24.5-106.1 -74.6 138.3 24.9 10.8 29.9 155 303 A V E -B 193 0B 6 38,-1.8 38,-1.5 -2,-0.2 2,-0.1 -0.239 34.7-147.1 -55.6 130.4 23.2 7.6 31.5 156 304 A N E > -B 192 0B 55 36,-0.2 4,-2.4 1,-0.1 36,-0.2 -0.478 27.5 -99.1 -99.7 174.7 25.4 4.5 31.4 157 305 A R H > S+ 0 0 127 34,-0.7 4,-2.8 2,-0.2 5,-0.2 0.928 121.2 53.7 -64.8 -44.1 24.2 0.7 31.1 158 306 A P H > S+ 0 0 42 0, 0.0 4,-1.9 0, 0.0 110,-0.3 0.914 113.7 45.0 -55.8 -38.9 24.5 -0.1 34.9 159 307 A E H > S+ 0 0 26 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.927 112.0 50.7 -68.6 -44.0 22.3 3.0 35.6 160 308 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.890 112.6 47.7 -59.7 -39.8 19.8 2.1 32.8 161 309 A E H X S+ 0 0 111 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.868 109.9 51.4 -69.1 -39.3 19.6 -1.5 34.3 162 310 A A H X S+ 0 0 5 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.889 111.3 48.3 -64.8 -37.3 19.1 -0.0 37.8 163 311 A V H X S+ 0 0 4 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.914 107.6 56.0 -67.7 -43.4 16.2 2.2 36.4 164 312 A S H X S+ 0 0 4 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.883 106.6 50.4 -54.5 -43.1 14.7 -1.0 34.7 165 313 A M H X S+ 0 0 100 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.917 111.4 47.6 -60.0 -48.3 14.6 -2.7 38.1 166 314 A L H X S+ 0 0 15 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.894 113.8 47.5 -59.9 -45.4 12.8 0.3 39.7 167 315 A V H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.951 114.5 45.4 -62.7 -52.4 10.3 0.5 36.7 168 316 A K H X S+ 0 0 90 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.917 112.5 51.6 -59.2 -45.8 9.6 -3.3 36.8 169 317 A E H X S+ 0 0 89 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.867 115.6 41.5 -58.1 -43.8 9.2 -3.4 40.7 170 318 A A H X S+ 0 0 0 -4,-2.0 4,-0.7 -5,-0.2 3,-0.5 0.941 115.8 48.6 -69.7 -49.4 6.7 -0.5 40.6 171 319 A V H >X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 3,-1.3 0.912 109.8 49.5 -59.6 -51.0 4.7 -1.7 37.5 172 320 A V H 3< S+ 0 0 64 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.713 98.6 70.4 -66.9 -19.1 4.2 -5.4 38.7 173 321 A T H 3< S+ 0 0 89 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.853 117.6 20.7 -62.0 -35.6 3.0 -4.0 42.1 174 322 A F H << S+ 0 0 65 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.2 0.770 141.1 26.8-105.1 -34.7 -0.2 -2.8 40.3 175 323 A L >< - 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0 0 7 -4,-0.8 2,-0.2 -3,-0.2 -1,-0.1 -0.292 63.6-150.2 68.9-154.3 14.3 3.8 16.7 301 453 A S > - 0 0 10 57,-0.2 4,-2.4 56,-0.1 -1,-0.2 0.636 39.3-126.8 -67.5 174.1 16.8 5.2 15.5 302 454 A R H > S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.920 111.3 46.7 -56.5 -45.3 14.9 8.3 14.3 303 455 A Q H > S+ 0 0 11 55,-0.5 4,-2.2 1,-0.2 -297,-0.3 0.853 110.0 52.7 -67.4 -36.8 16.3 7.9 10.7 304 456 A F H > S+ 0 0 0 54,-0.3 4,-2.1 52,-0.3 -1,-0.2 0.916 111.7 46.8 -63.0 -44.0 15.5 4.1 10.7 305 457 A E H X S+ 0 0 12 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.897 111.3 51.1 -62.1 -48.2 11.8 5.0 11.7 306 458 A R H X S+ 0 0 27 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.923 113.9 43.7 -56.2 -49.0 11.6 7.7 9.0 307 459 A D H X S+ 0 0 2 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.846 110.1 56.2 -69.2 -34.5 12.8 5.4 6.2 308 460 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.921 112.8 41.6 -57.4 -50.1 10.6 2.4 7.4 309 461 A R H X S+ 0 0 23 -4,-2.0 4,-2.1 2,-0.2 11,-0.2 0.875 115.9 49.8 -68.0 -38.2 7.5 4.6 7.1 310 462 A R H X S+ 0 0 56 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.925 113.1 46.2 -67.6 -46.5 8.8 6.1 3.7 311 463 A Y H X>S+ 0 0 9 -4,-3.1 4,-2.6 2,-0.2 5,-1.2 0.930 111.1 53.2 -59.3 -50.9 9.5 2.6 2.3 312 464 A A H X5S+ 0 0 0 -4,-2.6 6,-2.7 -5,-0.2 4,-0.8 0.921 118.1 37.0 -50.5 -47.4 6.0 1.3 3.6 313 465 A T H X5S+ 0 0 67 -4,-2.1 4,-1.0 4,-0.2 -2,-0.2 0.967 125.2 34.4 -70.6 -58.5 4.3 4.2 1.7 314 466 A H H <5S+ 0 0 143 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.792 130.4 27.7 -74.1 -36.7 6.3 4.6 -1.5 315 467 A E H <5S+ 0 0 89 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.2 0.779 134.1 24.7 -97.6 -34.1 7.3 1.0 -2.2 316 468 A R H <> -GH 318 332D 12 5,-2.9 5,-1.2 -2,-0.4 4,-1.2 -0.851 7.2-167.4 -97.1 110.0 -2.5 -2.2 3.6 328 480 A R T 45S+ 0 0 140 -11,-1.8 -1,-0.1 -2,-0.7 -10,-0.1 0.748 87.2 48.3 -70.3 -27.2 -4.1 0.3 1.1 329 481 A T T 45S+ 0 0 108 -12,-0.5 -1,-0.2 1,-0.2 -11,-0.1 0.927 119.9 35.4 -79.3 -47.8 -4.4 -2.3 -1.7 330 482 A K T 45S- 0 0 152 2,-0.2 -2,-0.2 1,-0.0 -1,-0.2 0.585 101.2-136.5 -79.7 -13.5 -5.9 -5.1 0.5 331 483 A R T <5 + 0 0 198 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.850 64.2 116.6 55.9 42.4 -7.9 -2.5 2.5 332 484 A V E < -H 327 0D 67 -5,-1.2 -5,-2.9 0, 0.0 2,-0.3 -0.983 69.6-119.1-136.5 150.7 -7.0 -4.3 5.7 333 485 A F E -H 326 0D 96 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.3 -0.695 34.7-132.0 -82.8 135.4 -5.0 -3.6 8.9 334 486 A L E -H 325 0D 26 -9,-3.3 -9,-0.5 -2,-0.3 2,-0.2 -0.816 16.5-141.1 -97.5 128.9 -2.1 -6.1 9.3 335 487 A E - 0 0 79 -2,-0.5 2,-0.3 -11,-0.1 -45,-0.1 -0.617 20.2-179.0 -88.1 149.2 -1.7 -7.8 12.6 336 488 A A - 0 0 5 -47,-0.4 -44,-0.5 -2,-0.2 -43,-0.2 -0.979 26.3-175.0-152.0 135.9 1.7 -8.5 14.3 337 489 A E S S+ 0 0 112 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.506 82.6 23.4-103.5 -10.2 2.7 -10.2 17.5 338 490 A S S > S- 0 0 36 1,-0.1 4,-1.1 -47,-0.0 3,-0.2 -0.950 79.8-110.4-149.2 165.5 6.4 -9.4 16.9 339 491 A E H > S+ 0 0 5 -2,-0.3 4,-2.3 1,-0.2 3,-0.4 0.891 116.6 62.8 -65.5 -38.8 8.7 -6.9 15.0 340 492 A E H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.883 101.4 51.0 -52.2 -44.4 9.7 -9.9 12.7 341 493 A E H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.856 108.1 52.5 -63.6 -35.4 6.1 -10.2 11.5 342 494 A I H X S+ 0 0 0 -4,-1.1 4,-1.7 -3,-0.4 -2,-0.2 0.953 111.1 46.2 -65.5 -49.2 6.0 -6.4 10.7 343 495 A F H <>S+ 0 0 2 -4,-2.3 5,-2.5 1,-0.2 4,-0.5 0.918 112.3 51.0 -57.7 -45.8 9.2 -6.7 8.6 344 496 A A H ><5S+ 0 0 74 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.912 108.3 52.1 -58.8 -43.4 7.7 -9.8 6.9 345 497 A H H 3<5S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.821 111.1 48.7 -58.6 -36.7 4.5 -7.8 6.1 346 498 A L T 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.452 115.8-115.2 -81.9 -8.7 6.6 -5.1 4.5 347 499 A G T < 5S+ 0 0 43 -3,-1.4 2,-0.4 -4,-0.5 -3,-0.2 0.803 71.6 136.0 74.0 31.5 8.7 -7.5 2.4 348 500 A L < - 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