==== 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/DNA 21-NOV-12 4I2F . COMPND 2 MOLECULE: DNA NUCLEOTIDYLEXOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.GOUGE,M.DELARUE . 358 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 67.6 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 . 23 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 36.0 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 2 0 0 3 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 0 153 0, 0.0 2,-0.2 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 109.6 23.9 -2.1 -4.1 2 150 A I - 0 0 63 63,-0.3 7,-0.1 1,-0.1 2,-0.1 -0.434 360.0-122.6 -62.5 125.0 23.3 -0.1 -0.8 3 151 A S - 0 0 26 5,-0.4 -1,-0.1 -2,-0.2 5,-0.1 -0.389 4.0-131.6 -72.0 154.0 19.7 0.8 -0.4 4 152 A Q S S+ 0 0 88 -2,-0.1 2,-0.5 62,-0.0 -1,-0.1 0.615 89.7 83.7 -75.2 -14.4 18.5 4.5 -0.0 5 153 A Y S > S- 0 0 8 1,-0.1 3,-1.9 3,-0.1 -2,-0.2 -0.826 70.8-149.8 -96.8 128.6 16.4 3.2 2.9 6 154 A A G > S+ 0 0 0 -2,-0.5 3,-1.5 1,-0.3 299,-0.1 0.786 99.3 64.9 -60.8 -30.3 17.9 2.8 6.4 7 155 A C G 3 S+ 0 0 1 1,-0.3 -1,-0.3 298,-0.2 298,-0.1 0.514 102.1 49.3 -72.2 -8.7 15.3 -0.1 7.0 8 156 A Q G < S+ 0 0 91 -3,-1.9 -5,-0.4 341,-0.1 2,-0.3 0.057 105.3 73.8-112.3 18.6 17.1 -2.0 4.2 9 157 A R S < S- 0 0 12 -3,-1.5 2,-0.6 -7,-0.1 350,-0.1 -0.943 75.9-131.9-126.8 152.1 20.6 -1.4 5.7 10 158 A R - 0 0 113 -2,-0.3 2,-0.6 42,-0.2 347,-0.2 -0.941 26.4-174.7-104.2 117.6 22.3 -2.9 8.8 11 159 A T B +a 357 0A 1 345,-2.8 347,-2.2 -2,-0.6 2,-0.2 -0.922 5.7 179.4-120.4 106.3 23.8 -0.0 10.8 12 160 A T - 0 0 50 -2,-0.6 344,-0.1 39,-0.3 177,-0.1 -0.550 42.3-103.6-103.0 168.3 25.9 -1.1 13.8 13 161 A L S S+ 0 0 85 342,-0.3 2,-1.9 -2,-0.2 343,-0.1 0.589 97.6 93.9 -74.2 -8.7 27.7 1.0 16.5 14 162 A N - 0 0 84 2,-0.0 2,-0.7 37,-0.0 -2,-0.2 -0.601 62.2-177.3 -81.3 77.2 31.2 0.3 14.9 15 163 A N > - 0 0 39 -2,-1.9 3,-0.6 1,-0.1 36,-0.1 -0.775 15.5-175.9 -80.1 113.4 31.0 3.5 12.8 16 164 A Y T 3 S+ 0 0 110 -2,-0.7 3,-0.2 37,-0.6 -1,-0.1 0.462 79.3 55.3 -86.9 -2.5 34.2 3.6 10.6 17 165 A N T >> + 0 0 2 39,-0.1 4,-2.7 1,-0.1 3,-0.7 -0.039 59.2 131.1-124.1 32.3 33.3 7.0 9.2 18 166 A Q H <> S+ 0 0 112 -3,-0.6 4,-2.7 1,-0.2 5,-0.3 0.789 71.0 62.0 -57.9 -32.0 32.9 9.2 12.4 19 167 A L H 3> S+ 0 0 108 2,-0.2 4,-1.0 -3,-0.2 -1,-0.2 0.931 114.5 33.9 -59.8 -43.8 35.2 11.9 10.9 20 168 A F H <> S+ 0 0 10 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.926 121.0 46.8 -75.8 -48.8 32.6 12.4 8.0 21 169 A T H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 -3,-0.2 0.816 107.0 55.9 -71.5 -33.3 29.4 11.7 10.0 22 170 A D H X S+ 0 0 69 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.948 112.6 44.7 -61.7 -41.5 30.2 13.9 13.0 23 171 A A H X S+ 0 0 6 -4,-1.0 4,-2.1 -5,-0.3 -2,-0.2 0.930 114.7 47.5 -64.6 -45.8 30.7 16.8 10.5 24 172 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.876 110.6 52.6 -64.7 -37.9 27.5 15.9 8.6 25 173 A D H X S+ 0 0 57 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.858 109.6 49.5 -63.6 -38.4 25.5 15.6 11.9 26 174 A I H X S+ 0 0 31 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.911 112.3 47.0 -66.4 -45.2 26.8 19.1 12.9 27 175 A L H X S+ 0 0 14 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.888 112.6 49.7 -65.0 -38.8 25.7 20.6 9.5 28 176 A A H X S+ 0 0 4 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.900 110.9 49.9 -64.7 -42.1 22.3 18.8 9.8 29 177 A E H X S+ 0 0 65 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.879 109.7 50.6 -65.0 -40.8 21.8 20.2 13.3 30 178 A N H X S+ 0 0 30 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.912 108.6 51.8 -64.5 -42.5 22.7 23.7 12.2 31 179 A D H <>S+ 0 0 19 -4,-2.0 5,-3.3 2,-0.2 -1,-0.2 0.812 108.5 51.9 -62.6 -31.4 20.1 23.4 9.3 32 180 A E H ><5S+ 0 0 104 -4,-1.5 3,-1.3 3,-0.2 -2,-0.2 0.942 111.9 45.9 -68.3 -46.4 17.5 22.3 11.9 33 181 A L H 3<5S+ 0 0 11 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.855 112.9 49.5 -61.9 -40.0 18.3 25.5 14.0 34 182 A R T 3<5S- 0 0 68 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.282 116.1-117.6 -84.7 6.9 18.2 27.7 10.8 35 183 A E T < 5 + 0 0 164 -3,-1.3 2,-1.1 1,-0.2 -3,-0.2 0.725 68.3 142.6 60.3 30.1 14.8 26.1 9.9 36 184 A N >< + 0 0 81 -5,-3.3 4,-2.1 1,-0.2 -1,-0.2 -0.721 19.6 171.6 -99.2 81.7 16.2 24.7 6.7 37 185 A E H > S+ 0 0 172 -2,-1.1 4,-2.5 1,-0.2 -1,-0.2 0.845 72.6 52.3 -57.9 -43.0 14.3 21.3 6.8 38 186 A G H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 112.2 42.3 -63.0 -51.1 15.4 20.3 3.2 39 187 A S H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.863 113.3 55.6 -66.0 -35.6 19.1 20.7 3.7 40 188 A C H X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.949 108.8 46.7 -59.6 -52.0 18.8 19.1 7.2 41 189 A L H X S+ 0 0 55 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.877 110.4 52.6 -57.7 -46.6 17.2 16.0 5.6 42 190 A A H X S+ 0 0 53 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.905 112.6 44.3 -59.2 -44.2 19.9 15.8 2.9 43 191 A F H X S+ 0 0 16 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.884 113.0 52.4 -69.5 -36.5 22.7 15.9 5.5 44 192 A M H X S+ 0 0 35 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.879 110.4 47.0 -64.7 -40.8 20.9 13.3 7.7 45 193 A R H X S+ 0 0 67 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.867 114.5 47.3 -68.8 -38.5 20.4 10.8 4.9 46 194 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.922 113.9 46.6 -67.3 -46.7 24.1 11.2 3.8 47 195 A S H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.938 112.7 52.2 -61.0 -44.6 25.3 10.8 7.4 48 196 A S H X S+ 0 0 2 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.909 108.9 47.8 -57.2 -49.2 23.0 7.7 7.8 49 197 A V H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.911 111.5 50.4 -64.2 -39.3 24.2 5.9 4.7 50 198 A L H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.3 -34,-0.2 0.867 103.3 60.4 -67.5 -32.9 28.0 6.4 5.7 51 199 A K H 3< S+ 0 0 46 -4,-2.0 -39,-0.3 1,-0.3 -1,-0.3 0.768 100.1 57.6 -61.7 -26.0 27.2 5.1 9.2 52 200 A S T << S+ 0 0 23 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.608 81.4 112.1 -80.8 -15.0 26.2 1.8 7.5 53 201 A L < - 0 0 6 -3,-1.4 -37,-0.6 -4,-0.4 -36,-0.1 -0.337 60.1-149.6 -63.9 140.5 29.5 1.2 5.8 54 202 A P S S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.278 82.4 41.2 -87.8 7.5 31.7 -1.7 7.0 55 203 A F S S- 0 0 78 -38,-0.0 2,-0.3 0, 0.0 -39,-0.1 -0.983 90.3-100.1-148.4 154.5 34.9 0.2 6.1 56 204 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 -39,-0.1 -0.629 35.3-117.0 -80.0 140.1 36.3 3.8 6.4 57 205 A I + 0 0 6 -2,-0.3 3,-0.1 1,-0.1 -37,-0.1 -0.554 41.4 164.4 -67.2 128.0 36.2 6.2 3.3 58 206 A T + 0 0 103 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.358 63.2 21.3-127.2 -1.2 39.8 7.0 2.5 59 207 A S S > S- 0 0 46 1,-0.1 3,-0.9 0, 0.0 -1,-0.3 -0.966 80.0-108.2-157.1 161.8 39.4 8.4 -1.1 60 208 A M G > S+ 0 0 60 -2,-0.3 3,-2.0 1,-0.2 4,-0.2 0.843 115.7 66.5 -64.6 -30.4 36.6 9.9 -3.2 61 209 A K G > S+ 0 0 145 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.835 89.3 65.9 -58.3 -34.3 36.6 6.7 -5.3 62 210 A D G < S+ 0 0 51 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.669 92.2 63.0 -63.0 -15.8 35.3 4.8 -2.1 63 211 A T G X S+ 0 0 5 -3,-2.0 3,-1.7 -4,-0.3 -1,-0.3 0.530 75.5 118.9 -87.3 -7.1 32.0 6.9 -2.4 64 212 A E T < S+ 0 0 128 -3,-1.9 -3,-0.0 1,-0.3 0, 0.0 -0.363 80.6 13.4 -62.8 132.4 31.1 5.4 -5.9 65 213 A G T 3 S+ 0 0 74 1,-0.3 -63,-0.3 -2,-0.1 -1,-0.3 0.316 93.3 126.9 83.6 -6.5 27.8 3.5 -5.8 66 214 A I < - 0 0 13 -3,-1.7 3,-0.5 -65,-0.1 -1,-0.3 -0.718 53.1-140.6 -83.9 123.3 26.8 5.0 -2.4 67 215 A P S S+ 0 0 34 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.285 76.1 37.9 -74.6 170.4 23.2 6.6 -2.6 68 216 A C S S+ 0 0 44 1,-0.1 2,-0.6 -19,-0.1 -19,-0.1 0.701 78.9 123.3 64.1 26.1 22.2 9.9 -0.9 69 217 A L - 0 0 14 -3,-0.5 -1,-0.1 -6,-0.1 -3,-0.1 -0.778 40.0-179.0-118.1 85.2 25.6 11.6 -1.5 70 218 A G > - 0 0 43 -2,-0.6 4,-2.4 -28,-0.1 5,-0.1 -0.086 45.2 -90.2 -72.5 177.0 24.8 14.8 -3.5 71 219 A D H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.888 126.0 52.0 -59.4 -43.6 27.4 17.3 -4.8 72 220 A K H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.929 112.6 46.3 -59.0 -45.2 27.3 19.4 -1.5 73 221 A V H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.909 109.8 53.6 -65.1 -43.7 27.9 16.3 0.6 74 222 A K H X S+ 0 0 68 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.857 105.6 53.9 -63.8 -31.3 30.8 15.1 -1.7 75 223 A S H X S+ 0 0 64 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.875 109.3 49.1 -67.1 -37.0 32.5 18.5 -1.3 76 224 A I H X S+ 0 0 6 -4,-1.4 4,-1.6 -3,-0.2 -2,-0.2 0.924 111.9 47.2 -67.0 -46.6 32.4 18.1 2.5 77 225 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.907 111.0 52.9 -58.8 -46.8 33.8 14.5 2.3 78 226 A E H X S+ 0 0 116 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.882 108.2 50.6 -56.4 -44.7 36.6 15.8 -0.1 79 227 A G H X S+ 0 0 23 -4,-1.9 4,-1.4 2,-0.2 6,-0.5 0.823 110.5 48.3 -63.0 -36.1 37.6 18.5 2.4 80 228 A I H X S+ 0 0 4 -4,-1.6 4,-2.2 -3,-0.2 -2,-0.2 0.871 110.6 50.8 -74.8 -37.7 37.8 16.0 5.3 81 229 A I H < S+ 0 0 64 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.890 107.0 59.3 -63.1 -40.0 39.9 13.6 3.1 82 230 A E H < S- 0 0 160 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.908 133.6 -8.7 -55.6 -55.6 42.2 16.6 2.3 83 231 A D H < S- 0 0 106 -4,-1.4 -2,-0.2 2,-0.4 -1,-0.2 0.151 94.5-101.7-137.7 20.2 43.3 17.6 5.9 84 232 A G S < S+ 0 0 35 -4,-2.2 2,-0.3 1,-0.2 -4,-0.2 0.462 93.3 88.1 72.6 4.2 41.2 15.4 8.4 85 233 A E S S- 0 0 111 -6,-0.5 2,-0.6 -5,-0.1 -2,-0.4 -0.940 71.3-130.3-131.6 157.5 38.8 18.4 9.2 86 234 A S > - 0 0 12 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 -0.937 11.0-166.5-106.5 113.0 35.6 19.9 7.9 87 235 A S H > S+ 0 0 85 -2,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.854 92.0 53.5 -63.9 -34.6 36.0 23.7 7.4 88 236 A E H > S+ 0 0 67 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.904 112.0 41.9 -65.6 -47.6 32.1 23.8 7.0 89 237 A A H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.848 112.3 56.2 -70.0 -33.7 31.5 22.0 10.4 90 238 A K H X S+ 0 0 60 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.899 106.2 50.2 -63.4 -40.9 34.3 24.0 12.1 91 239 A A H X S+ 0 0 65 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.865 110.3 50.0 -67.7 -32.6 32.6 27.3 11.1 92 240 A V H >< S+ 0 0 13 -4,-1.4 3,-1.1 1,-0.2 7,-0.2 0.926 107.9 53.3 -69.8 -42.9 29.2 25.9 12.5 93 241 A L H 3< S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.732 113.5 43.6 -62.5 -25.8 31.0 25.0 15.8 94 242 A N H 3< S+ 0 0 106 -4,-1.1 -1,-0.3 -3,-0.2 2,-0.2 0.467 87.6 113.3 -96.8 -8.0 32.3 28.6 16.1 95 243 A D S+ 0 0 97 -2,-0.2 4,-2.0 2,-0.2 5,-0.1 0.851 99.2 48.8 -63.6 -39.0 27.5 32.2 18.0 97 245 A R H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.917 113.1 47.6 -68.4 -43.2 23.9 31.3 17.3 98 246 A Y H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.942 113.0 48.2 -62.5 -49.2 24.7 27.6 16.9 99 247 A K H X S+ 0 0 89 -4,-2.5 4,-2.3 -7,-0.2 -1,-0.2 0.900 114.3 46.2 -57.1 -45.2 26.8 27.6 20.2 100 248 A S H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.890 112.3 49.9 -66.6 -42.7 24.0 29.3 22.1 101 249 A F H X S+ 0 0 7 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.899 112.9 47.1 -65.6 -37.8 21.2 27.1 20.7 102 250 A K H X S+ 0 0 83 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.935 116.4 44.8 -65.9 -45.8 23.2 23.9 21.6 103 251 A L H >< S+ 0 0 60 -4,-2.3 3,-0.7 -5,-0.2 -2,-0.2 0.938 116.4 43.5 -64.9 -50.3 23.9 25.2 25.1 104 252 A F H >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.911 113.0 49.9 -66.2 -45.5 20.4 26.5 25.8 105 253 A T H 3< S+ 0 0 51 -4,-2.3 -1,-0.2 1,-0.3 5,-0.2 0.598 92.7 77.8 -72.2 -7.0 18.5 23.4 24.5 106 254 A S T << S+ 0 0 46 -3,-0.7 2,-0.4 -4,-0.7 -1,-0.3 0.604 80.2 88.5 -72.5 -11.2 20.9 21.2 26.6 107 255 A V S X S- 0 0 2 -3,-1.6 3,-1.8 -4,-0.2 2,-0.2 -0.767 93.3-113.7 -87.3 130.2 18.6 22.3 29.5 108 256 A F T 3 S+ 0 0 34 -2,-0.4 36,-0.5 1,-0.3 37,-0.1 -0.476 104.7 27.5 -64.0 126.4 15.5 20.1 30.0 109 257 A G T 3 S+ 0 0 23 1,-0.2 2,-0.6 -2,-0.2 32,-0.3 0.326 95.9 109.1 100.5 -2.4 12.4 22.2 29.2 110 258 A V < + 0 0 11 -3,-1.8 -1,-0.2 -5,-0.2 2,-0.1 -0.933 41.2 169.2-112.0 117.8 14.2 24.5 26.7 111 259 A G > - 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0 0 64 1,-0.1 4,-1.5 -22,-0.0 -1,-0.2 -0.941 68.9-133.9-129.6 152.5 25.7 31.6 29.0 126 274 A L H > S+ 0 0 16 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.843 107.9 60.6 -68.4 -32.1 23.6 29.4 31.3 127 275 A S H > S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.906 106.1 45.9 -58.7 -44.7 25.0 31.2 34.4 128 276 A K H 4 S+ 0 0 136 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.847 114.0 49.1 -70.3 -33.3 23.6 34.5 33.1 129 277 A I H >< S+ 0 0 0 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.958 112.9 45.6 -68.6 -52.3 20.2 33.0 32.3 130 278 A Q H 3< S+ 0 0 97 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.771 115.0 46.5 -61.0 -36.3 19.8 31.2 35.8 131 279 A S T 3< S+ 0 0 69 -4,-1.6 -1,-0.3 -5,-0.2 2,-0.2 0.452 84.0 117.0 -88.7 -2.0 20.9 34.2 37.8 132 280 A D < - 0 0 51 -3,-1.1 -3,-0.0 -4,-0.4 -4,-0.0 -0.474 51.7-158.1 -70.3 134.5 18.6 36.7 35.9 133 281 A K S S+ 0 0 198 -2,-0.2 -1,-0.1 1,-0.1 -4,-0.0 0.588 86.8 50.7 -92.3 -6.5 16.0 38.3 38.1 134 282 A S S S+ 0 0 104 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.716 86.9 96.7 -99.6 -27.8 13.5 39.3 35.3 135 283 A L - 0 0 21 -6,-0.2 2,-0.4 1,-0.0 -6,-0.0 -0.335 60.9-149.8 -64.2 146.6 13.3 35.9 33.5 136 284 A R - 0 0 231 -2,-0.0 2,-0.4 0, 0.0 -2,-0.0 -0.982 12.3-154.9-119.9 130.2 10.3 33.5 34.3 137 285 A F - 0 0 46 -2,-0.4 2,-0.0 1,-0.0 -2,-0.0 -0.856 13.2-123.4-110.6 142.6 10.8 29.8 33.9 138 286 A T > - 0 0 77 -2,-0.4 4,-2.2 -29,-0.1 5,-0.1 -0.286 35.5-106.9 -69.4 162.7 8.4 26.9 33.3 139 287 A Q H > S+ 0 0 137 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.873 123.4 54.9 -60.8 -36.4 8.3 24.1 35.9 140 288 A M H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 109.4 46.6 -62.0 -44.0 10.1 21.8 33.3 141 289 A Q H > S+ 0 0 9 -32,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.863 107.3 56.6 -67.2 -39.1 12.9 24.5 33.0 142 290 A K H X S+ 0 0 107 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.919 111.9 43.0 -58.4 -46.5 13.2 24.8 36.8 143 291 A A H X S+ 0 0 8 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.897 111.4 56.2 -65.2 -41.0 13.8 21.0 37.0 144 292 A G H < S+ 0 0 1 -4,-2.2 -36,-0.2 -36,-0.5 -2,-0.2 0.866 114.1 38.5 -58.2 -39.8 16.2 21.3 34.0 145 293 A F H >< S+ 0 0 20 -4,-2.6 3,-1.0 2,-0.2 4,-0.3 0.896 114.3 53.8 -78.8 -40.1 18.3 23.9 35.8 146 294 A L H 3< S+ 0 0 129 -4,-2.7 -2,-0.2 1,-0.2 3,-0.2 0.870 122.9 27.8 -60.8 -40.5 18.1 22.2 39.3 147 295 A Y T 3X S+ 0 0 39 -4,-2.3 4,-2.4 1,-0.1 3,-0.3 0.091 86.1 126.0-110.2 22.3 19.3 18.8 38.0 148 296 A Y H <> + 0 0 37 -3,-1.0 4,-2.4 1,-0.2 5,-0.2 0.836 69.9 48.1 -50.0 -55.6 21.4 20.2 35.0 149 297 A E H > S+ 0 0 145 -4,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.884 115.8 44.7 -61.1 -40.1 24.8 18.5 35.8 150 298 A D H 4 S+ 0 0 27 -3,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.919 114.7 48.5 -68.4 -43.7 23.3 15.1 36.3 151 299 A L H < S+ 0 0 26 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.800 112.0 48.9 -68.8 -30.0 21.1 15.4 33.2 152 300 A V H < S+ 0 0 61 -4,-2.4 -1,-0.2 -5,-0.2 2,-0.2 0.704 94.7 85.0 -83.5 -20.4 24.0 16.5 31.0 153 301 A S S < S- 0 0 48 -4,-1.1 2,-0.1 -3,-0.3 0, 0.0 -0.591 97.5 -98.2 -75.4 143.0 26.2 13.7 32.2 154 302 A C - 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0 0 8 -4,-1.0 2,-0.2 -3,-0.4 -1,-0.1 -0.254 65.6-147.7 68.7-152.7 14.4 3.8 16.8 302 453 A S > - 0 0 10 57,-0.2 4,-2.5 56,-0.1 -1,-0.2 0.610 39.6-126.2 -64.6 174.3 16.8 5.2 15.6 303 454 A R H > S+ 0 0 185 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.933 111.6 47.7 -56.4 -44.5 14.8 8.3 14.4 304 455 A Q H > S+ 0 0 9 55,-0.5 4,-2.2 2,-0.2 -298,-0.3 0.859 109.9 51.6 -65.5 -40.4 16.3 7.8 10.9 305 456 A F H > S+ 0 0 2 54,-0.4 4,-2.2 52,-0.3 -1,-0.2 0.925 112.2 46.9 -61.2 -44.8 15.5 4.1 10.9 306 457 A E H X S+ 0 0 40 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.914 110.7 51.9 -61.6 -48.8 11.8 4.9 11.9 307 458 A R H X S+ 0 0 68 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.914 113.8 43.6 -54.1 -47.8 11.5 7.7 9.2 308 459 A D H X S+ 0 0 2 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.851 109.9 55.9 -71.3 -34.2 12.8 5.3 6.4 309 460 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.923 112.9 42.0 -57.8 -47.9 10.6 2.4 7.7 310 461 A R H X S+ 0 0 13 -4,-2.2 4,-2.2 2,-0.2 11,-0.2 0.871 115.5 49.7 -69.4 -39.2 7.5 4.6 7.3 311 462 A R H X S+ 0 0 56 -4,-2.1 4,-2.8 -5,-0.2 5,-0.4 0.913 112.9 46.8 -65.4 -47.1 8.7 6.1 4.0 312 463 A Y H X>S+ 0 0 24 -4,-3.1 4,-2.4 2,-0.2 5,-1.0 0.936 110.8 53.1 -58.5 -50.3 9.4 2.5 2.6 313 464 A A H X>S+ 0 0 0 -4,-2.6 6,-2.8 -5,-0.2 4,-1.0 0.935 117.6 37.7 -51.9 -48.1 5.9 1.3 3.9 314 465 A T H X5S+ 0 0 68 -4,-2.2 4,-0.8 4,-0.2 -2,-0.2 0.964 125.7 32.8 -68.3 -59.0 4.2 4.2 2.0 315 466 A H H <5S+ 0 0 136 -4,-2.8 -3,-0.2 1,-0.1 -2,-0.2 0.861 129.9 30.8 -71.8 -41.2 6.2 4.5 -1.2 316 467 A E H <5S+ 0 0 90 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 0.761 133.6 21.5 -94.5 -28.9 7.1 0.8 -1.8 317 468 A R H <> -GH 319 333D 9 5,-2.9 4,-1.4 -2,-0.4 5,-1.3 -0.875 7.3-168.2-100.4 108.5 -2.8 -2.1 3.9 329 480 A R T 45S+ 0 0 130 -11,-1.8 -1,-0.1 -2,-0.7 -10,-0.1 0.708 86.8 49.3 -69.6 -25.4 -4.4 0.4 1.5 330 481 A T T 45S+ 0 0 107 -12,-0.4 -1,-0.2 -13,-0.2 -11,-0.1 0.922 120.1 34.1 -79.9 -49.0 -4.6 -2.3 -1.3 331 482 A K T 45S- 0 0 148 2,-0.2 -2,-0.2 1,-0.0 -1,-0.1 0.616 101.9-135.9 -79.5 -15.4 -6.2 -5.1 0.8 332 483 A R T <5 + 0 0 195 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.846 64.2 116.5 59.0 41.4 -8.1 -2.4 2.8 333 484 A V E < -H 328 0D 68 -5,-1.3 -5,-2.9 0, 0.0 2,-0.3 -0.979 69.7-118.0-136.1 150.0 -7.3 -4.2 6.1 334 485 A F E -H 327 0D 91 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.652 34.7-134.1 -79.4 138.6 -5.3 -3.5 9.3 335 486 A L E -H 326 0D 24 -9,-3.3 -9,-0.5 -2,-0.3 2,-0.2 -0.880 15.1-142.1-101.1 128.8 -2.4 -6.0 9.6 336 487 A E - 0 0 158 -2,-0.5 2,-0.3 -11,-0.1 -45,-0.1 -0.584 19.1-178.3 -86.6 151.1 -1.9 -7.6 13.0 337 488 A A - 0 0 4 -47,-0.4 -44,-0.5 -2,-0.2 -43,-0.2 -0.978 25.1-172.8-151.8 136.8 1.6 -8.4 14.5 338 489 A E S S+ 0 0 110 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.519 82.1 20.1-102.3 -10.1 2.7 -10.0 17.8 339 490 A S S > S- 0 0 36 1,-0.1 4,-1.1 -47,-0.0 3,-0.2 -0.933 80.4-107.2-150.3 166.9 6.4 -9.2 17.2 340 491 A E H > S+ 0 0 3 -2,-0.3 4,-2.5 1,-0.2 3,-0.3 0.877 117.4 63.0 -65.4 -38.0 8.7 -6.8 15.3 341 492 A E H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.869 102.0 50.0 -53.0 -43.3 9.6 -9.8 13.0 342 493 A E H > S+ 0 0 88 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.846 108.7 52.2 -67.4 -34.2 6.0 -10.0 11.9 343 494 A I H X S+ 0 0 0 -4,-1.1 4,-1.7 -3,-0.3 -2,-0.2 0.956 111.0 46.9 -65.2 -49.0 5.9 -6.3 11.1 344 495 A F H X>S+ 0 0 2 -4,-2.5 5,-2.6 1,-0.2 4,-0.6 0.910 112.2 50.9 -57.5 -44.0 9.1 -6.6 8.9 345 496 A A H ><5S+ 0 0 73 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.899 107.9 52.2 -61.8 -42.1 7.5 -9.7 7.2 346 497 A H H 3<5S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.836 111.5 48.3 -58.3 -35.7 4.3 -7.8 6.4 347 498 A L H 3<5S- 0 0 0 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.497 114.4-117.2 -83.9 -7.3 6.5 -5.0 4.8 348 499 A G T <<5 + 0 0 49 -3,-1.1 2,-0.4 -4,-0.6 -3,-0.2 0.775 69.4 137.6 72.4 29.9 8.5 -7.5 2.8 349 500 A L < - 0 0 13 -5,-2.6 -1,-0.3 -6,-0.1 -2,-0.1 -0.887 60.9-113.9-109.7 142.4 11.7 -6.6 4.6 350 501 A D - 0 0 129 -2,-0.4 2,-0.1 1,-0.1 -3,-0.0 -0.425 52.8 -95.0 -62.7 139.3 14.6 -8.8 5.9 351 502 A Y - 0 0 46 -2,-0.1 2,-0.6 1,-0.0 -1,-0.1 -0.432 36.5-154.8 -65.4 129.9 14.5 -8.5 9.7 352 503 A I - 0 0 5 -2,-0.1 5,-0.1 -3,-0.1 -8,-0.1 -0.959 18.0-129.0-106.5 119.3 16.9 -5.9 11.0 353 504 A E > - 0 0 68 -2,-0.6 3,-2.3 1,-0.1 4,-0.1 -0.287 24.5-109.7 -63.5 153.2 18.0 -6.6 14.6 354 505 A P G > S+ 0 0 9 0, 0.0 3,-1.8 0, 0.0 -166,-0.1 0.883 120.5 54.5 -55.3 -38.7 17.6 -3.7 17.2 355 506 A W G 3 S+ 0 0 132 1,-0.3 -342,-0.3 -168,-0.1 3,-0.2 0.493 104.8 56.7 -71.5 -5.7 21.5 -3.2 17.4 356 507 A E G < S+ 0 0 30 -3,-2.3 -345,-2.8 1,-0.1 -1,-0.3 0.213 88.0 78.7-104.6 7.8 21.5 -2.9 13.5 357 508 A R B < +a 11 0A 0 -3,-1.8 2,-1.2 -347,-0.2 -52,-0.3 0.108 51.0 118.9-105.0 25.2 19.0 0.0 13.6 358 509 A N 0 0 15 -347,-2.2 -1,-0.1 -3,-0.2 -56,-0.1 -0.151 360.0 360.0 -84.6 44.4 21.6 2.7 14.5 359 510 A A 0 0 14 -2,-1.2 -55,-0.5 -350,-0.1 -54,-0.4 -0.330 360.0 360.0 -67.5 360.0 20.9 4.6 11.2