==== 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 4I27 . COMPND 2 MOLECULE: DNA NUCLEOTIDYLEXOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.GOUGE,M.DELARUE . 361 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18514.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 67.3 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 9.7 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 . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 2 1 2 1 0 0 1 0 2 1 1 1 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 1 146 A A 0 0 164 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -37.0 16.6 20.9 -5.4 2 147 A V - 0 0 74 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.459 360.0-110.4 -73.4 139.6 13.6 19.2 -3.6 3 148 A K - 0 0 90 1,-0.2 -1,-0.1 -2,-0.2 0, 0.0 -0.128 53.4 -67.0 -62.0 158.6 10.0 20.3 -4.3 4 149 A K - 0 0 105 1,-0.1 2,-0.5 65,-0.0 -1,-0.2 -0.206 53.3-125.6 -52.2 135.0 7.8 22.2 -1.6 5 150 A I - 0 0 50 63,-0.5 2,-0.1 -3,-0.1 -1,-0.1 -0.783 19.4-135.1 -95.2 125.3 7.0 20.0 1.3 6 151 A S - 0 0 26 -2,-0.5 5,-0.1 5,-0.4 -1,-0.0 -0.437 10.0-134.5 -73.4 149.0 3.3 19.7 2.3 7 152 A Q S S+ 0 0 94 -2,-0.1 2,-0.5 62,-0.0 -1,-0.1 0.562 88.8 83.6 -75.4 -12.7 2.2 19.9 5.9 8 153 A Y S > S- 0 0 9 1,-0.1 3,-1.9 3,-0.0 -2,-0.2 -0.869 70.5-150.8-101.1 126.2 0.1 16.8 5.2 9 154 A A G > S+ 0 0 0 -2,-0.5 3,-1.7 1,-0.3 299,-0.1 0.811 99.7 64.4 -60.2 -31.9 1.5 13.3 5.4 10 155 A C G 3 S+ 0 0 1 1,-0.3 -1,-0.3 298,-0.2 343,-0.1 0.538 102.3 49.7 -71.3 -5.5 -1.0 12.2 2.7 11 156 A Q G < S+ 0 0 88 -3,-1.9 -5,-0.4 341,-0.1 2,-0.3 0.119 104.4 74.9-115.4 15.2 0.8 14.7 0.3 12 157 A R S < S- 0 0 12 -3,-1.7 2,-0.6 -7,-0.1 350,-0.1 -0.939 75.3-131.5-125.9 151.7 4.3 13.3 1.1 13 158 A R - 0 0 116 -2,-0.3 2,-0.6 42,-0.2 347,-0.2 -0.922 27.0-175.0-103.6 113.9 6.0 10.0 0.1 14 159 A T B -a 360 0A 0 345,-3.0 347,-2.3 -2,-0.6 2,-0.2 -0.907 3.1-179.9-120.8 101.7 7.5 8.4 3.2 15 160 A T - 0 0 54 -2,-0.6 344,-0.1 39,-0.2 177,-0.1 -0.493 42.2-104.6 -94.3 165.1 9.6 5.3 2.6 16 161 A L S S+ 0 0 90 342,-0.3 2,-1.7 175,-0.2 343,-0.1 0.545 94.5 99.1 -73.0 -6.1 11.4 3.2 5.3 17 162 A N - 0 0 83 38,-0.0 2,-0.7 2,-0.0 -2,-0.2 -0.597 59.4-174.0 -84.5 84.5 14.8 4.6 4.5 18 163 A N > - 0 0 37 -2,-1.7 3,-0.5 1,-0.1 36,-0.1 -0.755 18.0-178.8 -86.7 113.3 14.9 7.2 7.3 19 164 A Y T 3 S+ 0 0 112 -2,-0.7 3,-0.1 37,-0.5 -1,-0.1 0.397 81.0 55.9 -87.4 -4.4 18.0 9.5 7.0 20 165 A N T >> + 0 0 2 39,-0.2 4,-2.6 36,-0.1 3,-0.7 -0.032 59.7 131.2-124.0 33.6 17.0 11.4 10.2 21 166 A Q H <> S+ 0 0 113 -3,-0.5 4,-2.6 1,-0.2 5,-0.3 0.785 71.2 61.0 -58.2 -32.6 16.6 8.6 12.8 22 167 A L H 3> S+ 0 0 106 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.927 115.2 34.0 -59.9 -43.2 18.7 10.6 15.3 23 168 A F H <> S+ 0 0 12 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.923 119.6 49.9 -76.2 -46.9 16.1 13.4 15.2 24 169 A T H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -3,-0.2 0.835 106.6 53.8 -64.2 -43.4 13.0 11.2 14.8 25 170 A D H X S+ 0 0 79 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.887 112.5 45.7 -60.1 -40.1 13.8 8.8 17.7 26 171 A A H X S+ 0 0 9 -4,-0.9 4,-2.1 -5,-0.3 -2,-0.2 0.927 114.0 47.3 -69.3 -45.3 14.1 11.8 20.0 27 172 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.818 110.5 53.3 -65.7 -32.8 10.9 13.5 18.8 28 173 A D H X S+ 0 0 57 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.875 109.0 49.3 -68.4 -39.0 9.0 10.1 19.0 29 174 A I H X S+ 0 0 34 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.913 112.9 46.9 -64.8 -46.3 10.1 9.8 22.7 30 175 A L H X S+ 0 0 12 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.892 114.0 48.1 -65.6 -38.2 8.9 13.4 23.4 31 176 A A H X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.935 110.3 51.0 -65.0 -50.0 5.5 12.7 21.6 32 177 A E H X S+ 0 0 64 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.781 108.9 53.8 -55.9 -35.4 5.0 9.4 23.5 33 178 A N H X S+ 0 0 20 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.938 110.0 44.0 -68.1 -52.0 5.6 11.3 26.8 34 179 A D H <>S+ 0 0 18 -4,-1.7 5,-4.3 1,-0.2 -2,-0.2 0.796 112.8 55.3 -61.4 -33.7 3.0 14.0 26.2 35 180 A E H ><5S+ 0 0 98 -4,-1.8 3,-0.5 3,-0.2 -1,-0.2 0.878 109.2 44.2 -65.5 -45.4 0.6 11.2 25.0 36 181 A L H 3<5S+ 0 0 8 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.737 116.1 47.8 -71.5 -25.4 1.0 9.2 28.3 37 182 A R T 3<5S- 0 0 105 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.388 118.6-120.5 -90.0 -5.7 0.6 12.6 30.2 38 183 A E T < 5 + 0 0 114 -3,-0.5 2,-0.9 1,-0.2 -3,-0.2 0.806 62.2 147.1 63.5 42.3 -2.5 13.2 27.9 39 184 A N >< + 0 0 76 -5,-4.3 4,-1.5 1,-0.2 -1,-0.2 -0.859 21.6 179.9-101.7 91.2 -1.2 16.5 26.4 40 185 A E H > S+ 0 0 79 -2,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.948 72.0 45.4 -62.5 -55.7 -2.8 16.1 22.9 41 186 A G H > S+ 0 0 53 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.731 114.3 46.0 -60.3 -35.6 -1.5 19.4 21.2 42 187 A S H > S+ 0 0 37 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.908 116.2 46.1 -76.7 -41.0 2.1 19.2 22.3 43 188 A C H X S+ 0 0 6 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.866 110.5 55.4 -62.9 -40.4 2.4 15.5 21.4 44 189 A L H X S+ 0 0 49 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.906 105.5 51.4 -61.7 -42.7 0.6 16.4 18.1 45 190 A A H X S+ 0 0 51 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.882 113.0 44.6 -62.4 -41.9 3.4 19.0 17.3 46 191 A F H X S+ 0 0 18 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.847 112.5 52.3 -71.5 -36.9 6.2 16.5 17.9 47 192 A M H X S+ 0 0 30 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.887 111.1 46.3 -65.1 -41.9 4.4 13.7 15.9 48 193 A R H X S+ 0 0 53 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.877 114.4 48.0 -68.5 -39.4 4.0 16.1 12.9 49 194 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.912 112.8 47.9 -67.2 -44.7 7.7 17.2 13.1 50 195 A S H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.929 111.7 52.1 -60.1 -44.7 8.9 13.6 13.4 51 196 A S H X S+ 0 0 1 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.862 108.0 49.1 -59.1 -48.0 6.7 12.7 10.4 52 197 A V H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 4,-0.5 0.887 110.3 51.6 -62.6 -42.0 8.0 15.5 8.1 53 198 A L H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 -34,-0.3 0.843 103.6 58.4 -65.6 -32.6 11.7 14.5 8.9 54 199 A K H 3< S+ 0 0 51 -4,-1.7 -1,-0.2 1,-0.2 -39,-0.2 0.784 102.0 55.9 -65.1 -29.1 10.9 10.9 8.0 55 200 A S T << S+ 0 0 24 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.597 83.3 110.1 -78.9 -15.5 9.9 12.0 4.5 56 201 A L < - 0 0 3 -3,-1.0 -37,-0.5 -4,-0.5 -36,-0.1 -0.391 61.0-149.8 -66.9 136.2 13.2 13.8 3.8 57 202 A P S S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.319 81.4 43.8 -85.6 8.7 15.5 12.1 1.1 58 203 A F S S- 0 0 72 -38,-0.0 2,-0.2 0, 0.0 -39,-0.1 -0.989 89.0-102.1-147.6 153.1 18.6 13.5 3.0 59 204 A P - 0 0 59 0, 0.0 2,-0.4 0, 0.0 -39,-0.2 -0.557 35.9-116.3 -78.0 142.8 19.9 13.8 6.6 60 205 A I + 0 0 7 -2,-0.2 3,-0.1 1,-0.1 -37,-0.1 -0.655 42.8 164.3 -71.8 122.6 19.8 17.2 8.4 61 206 A T + 0 0 104 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.406 62.7 18.8-121.8 -2.6 23.4 18.1 9.0 62 207 A S S > S- 0 0 48 1,-0.0 3,-0.9 0, 0.0 4,-0.3 -0.963 79.6-106.3-158.4 164.4 22.9 21.9 9.7 63 208 A M G > S+ 0 0 62 -2,-0.3 3,-1.1 1,-0.2 4,-0.2 0.767 115.6 66.2 -70.9 -21.9 20.2 24.4 10.8 64 209 A K G > S+ 0 0 140 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.812 91.2 63.9 -67.7 -26.9 20.1 25.8 7.2 65 210 A D G < S+ 0 0 50 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.714 92.3 63.9 -67.6 -19.8 18.8 22.3 6.1 66 211 A T G X S+ 0 0 6 -3,-1.1 3,-1.7 -4,-0.3 -1,-0.2 0.562 77.3 119.0 -81.1 -10.2 15.6 23.0 8.2 67 212 A E T < S+ 0 0 128 -3,-1.3 -3,-0.0 1,-0.3 0, 0.0 -0.353 80.9 8.7 -61.7 127.5 14.7 26.0 6.0 68 213 A G T 3 S+ 0 0 75 1,-0.3 -63,-0.5 -2,-0.1 -1,-0.3 0.474 93.5 129.0 80.1 5.0 11.3 25.7 4.2 69 214 A I X - 0 0 14 -3,-1.7 3,-0.6 -65,-0.1 -1,-0.3 -0.816 51.6-140.5 -91.4 123.0 10.4 22.5 6.1 70 215 A P T 3 S+ 0 0 34 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.306 77.3 37.1 -77.8 171.2 6.9 22.8 7.6 71 216 A C T 3 S+ 0 0 40 1,-0.2 2,-0.7 -19,-0.1 -19,-0.1 0.602 82.1 119.5 64.0 18.9 5.8 21.6 11.1 72 217 A L < - 0 0 14 -3,-0.6 -1,-0.2 -6,-0.1 -3,-0.1 -0.869 43.6-178.8-113.2 89.9 9.2 22.6 12.6 73 218 A G > - 0 0 41 -2,-0.7 4,-2.5 -28,-0.1 5,-0.1 -0.145 45.1 -88.9 -78.8-176.3 8.4 25.1 15.3 74 219 A D H > S+ 0 0 146 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.889 127.4 49.3 -61.0 -44.3 10.8 27.0 17.6 75 220 A K H > S+ 0 0 153 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.902 113.3 45.9 -62.0 -46.2 10.7 24.3 20.3 76 221 A V H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.907 110.2 54.3 -65.5 -43.0 11.4 21.5 17.7 77 222 A K H X S+ 0 0 69 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.810 105.0 53.5 -64.1 -30.7 14.2 23.5 16.0 78 223 A S H X S+ 0 0 70 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.878 109.6 48.6 -69.8 -36.2 16.0 23.9 19.5 79 224 A I H X S+ 0 0 7 -4,-1.3 4,-1.6 -3,-0.3 -2,-0.2 0.917 112.1 48.6 -66.0 -45.5 15.9 20.0 19.9 80 225 A I H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 3,-0.4 0.929 110.4 52.6 -57.8 -48.8 17.3 19.6 16.3 81 226 A E H X S+ 0 0 118 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.870 109.0 48.9 -54.8 -46.4 20.1 22.2 17.1 82 227 A G H X S+ 0 0 26 -4,-1.9 4,-1.3 2,-0.2 6,-0.5 0.798 110.8 49.7 -65.1 -33.5 21.1 20.2 20.2 83 228 A I H X S+ 0 0 5 -4,-1.6 4,-2.9 -3,-0.4 -2,-0.2 0.898 109.6 50.8 -74.8 -40.0 21.2 16.9 18.3 84 229 A I H < S+ 0 0 65 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.900 106.9 59.4 -59.8 -39.8 23.4 18.5 15.5 85 230 A E H < S- 0 0 159 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.892 134.5 -10.4 -57.2 -51.4 25.7 19.8 18.4 86 231 A D H < S- 0 0 99 -4,-1.3 -2,-0.2 2,-0.4 -1,-0.2 0.318 93.1-102.5-139.5 11.5 26.7 16.4 20.0 87 232 A G S < S+ 0 0 34 -4,-2.9 2,-0.3 1,-0.2 -4,-0.2 0.467 91.7 89.2 80.3 3.3 24.4 13.6 18.4 88 233 A E - 0 0 91 -6,-0.5 2,-0.6 -5,-0.1 -2,-0.4 -0.938 69.1-131.7-135.6 154.1 22.1 13.4 21.5 89 234 A S > - 0 0 9 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.935 8.8-168.0-104.5 113.3 18.9 15.0 22.8 90 235 A S H > S+ 0 0 84 -2,-0.6 4,-1.7 2,-0.2 -1,-0.1 0.850 92.2 54.9 -65.0 -34.7 19.2 16.2 26.5 91 236 A E H > S+ 0 0 71 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.908 110.2 43.5 -66.3 -46.5 15.3 16.7 26.4 92 237 A A H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.880 112.3 54.5 -66.9 -38.4 14.7 13.0 25.2 93 238 A K H X S+ 0 0 87 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.852 106.7 50.6 -62.6 -37.3 17.3 11.7 27.7 94 239 A A H < S+ 0 0 65 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.843 110.7 49.6 -69.0 -35.4 15.5 13.5 30.6 95 240 A V H >< S+ 0 0 15 -4,-1.3 3,-1.2 1,-0.2 7,-0.3 0.925 107.6 54.0 -69.0 -44.2 12.2 11.9 29.5 96 241 A L H 3< S+ 0 0 73 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.738 111.8 45.4 -61.6 -25.7 13.9 8.5 29.4 97 242 A N T 3< S+ 0 0 115 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.491 87.9 113.9 -95.5 -5.1 15.0 9.0 33.0 98 243 A D <> - 0 0 50 -3,-1.2 4,-2.3 -4,-0.5 5,-0.2 -0.456 64.3-141.8 -72.0 133.0 11.5 10.2 34.1 99 244 A E H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.883 101.3 50.1 -63.6 -40.8 9.8 7.9 36.6 100 245 A R H > S+ 0 0 61 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.945 112.0 48.3 -63.0 -47.9 6.3 8.5 35.1 101 246 A Y H > S+ 0 0 12 -6,-0.2 4,-2.8 2,-0.2 5,-0.3 0.930 111.9 47.7 -57.0 -56.0 7.6 7.8 31.5 102 247 A K H X S+ 0 0 96 -4,-2.3 4,-2.3 -7,-0.3 -1,-0.2 0.902 116.6 44.5 -52.3 -47.5 9.4 4.5 32.5 103 248 A S H X S+ 0 0 3 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.875 113.5 48.3 -67.7 -43.1 6.4 3.2 34.4 104 249 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.932 114.2 46.5 -67.5 -42.5 3.8 4.2 31.8 105 250 A K H X S+ 0 0 90 -4,-2.8 4,-0.9 -5,-0.2 -2,-0.2 0.920 116.6 46.0 -61.1 -47.3 5.9 2.6 28.9 106 251 A L H < S+ 0 0 57 -4,-2.3 3,-0.5 -5,-0.3 -2,-0.2 0.927 116.5 42.5 -60.9 -52.1 6.4 -0.6 31.0 107 252 A F H >< S+ 0 0 0 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.913 114.4 49.5 -66.8 -43.8 2.8 -0.9 32.2 108 253 A T H 3< S+ 0 0 47 -4,-2.7 -1,-0.2 1,-0.3 5,-0.2 0.631 94.9 73.8 -73.2 -10.6 1.2 -0.2 28.8 109 254 A S T 3< S+ 0 0 47 -4,-0.9 2,-0.4 -3,-0.5 -1,-0.3 0.567 80.3 91.5 -74.4 -10.4 3.6 -2.7 27.1 110 255 A V S X S- 0 0 2 -3,-1.5 3,-1.9 -4,-0.2 2,-0.3 -0.762 91.2-116.2 -85.9 127.4 1.3 -5.4 28.8 111 256 A F T 3 S+ 0 0 34 -2,-0.4 36,-0.5 1,-0.3 37,-0.2 -0.541 104.9 29.4 -65.0 122.0 -1.6 -6.5 26.5 112 257 A G T 3 S+ 0 0 25 -2,-0.3 2,-0.5 1,-0.2 32,-0.3 0.328 97.2 106.4 105.5 -2.9 -4.8 -5.4 28.2 113 258 A V < + 0 0 9 -3,-1.9 -1,-0.2 -5,-0.2 2,-0.1 -0.952 42.1 167.0-115.6 116.5 -3.2 -2.4 30.0 114 259 A G > - 0 0 38 -2,-0.5 4,-2.2 -3,-0.1 5,-0.2 -0.310 54.5 -71.0-110.0-166.6 -4.0 1.1 28.7 115 260 A L H > S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.828 127.0 52.3 -60.3 -40.3 -3.5 4.7 30.0 116 261 A K H > S+ 0 0 158 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 113.6 41.7 -64.8 -47.3 -6.1 4.4 32.8 117 262 A T H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.886 113.9 52.3 -70.2 -40.8 -4.7 1.1 34.3 118 263 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.909 112.8 46.5 -58.0 -43.5 -1.0 2.3 34.0 119 264 A E H X S+ 0 0 48 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.890 110.1 52.8 -64.6 -46.3 -2.1 5.6 35.8 120 265 A K H X S+ 0 0 76 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.947 113.8 42.9 -54.8 -52.7 -4.0 3.6 38.5 121 266 A W H <>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 3,-0.3 0.879 113.8 50.4 -65.2 -41.6 -0.9 1.4 39.2 122 267 A F H ><5S+ 0 0 35 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.935 110.6 49.0 -61.4 -47.8 1.6 4.4 39.1 123 268 A R H 3<5S+ 0 0 176 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.687 106.0 59.5 -66.2 -18.7 -0.6 6.4 41.6 124 269 A M T 3<5S- 0 0 99 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.502 124.9-105.0 -84.5 -9.7 -0.7 3.2 43.8 125 270 A G T < 5S+ 0 0 48 -3,-1.7 -3,-0.2 -4,-0.3 2,-0.2 0.445 72.0 144.3 98.2 5.5 3.2 3.4 44.0 126 271 A F < + 0 0 26 -5,-2.2 -1,-0.3 1,-0.1 -2,-0.1 -0.531 14.7 162.4 -77.4 141.5 4.0 0.5 41.6 127 272 A R + 0 0 105 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.480 59.8 50.8-131.0 -17.3 7.0 0.9 39.4 128 273 A T S > S- 0 0 64 1,-0.1 4,-1.2 -22,-0.0 -1,-0.2 -0.942 70.1-131.8-129.7 151.3 7.7 -2.7 38.2 129 274 A L H > S+ 0 0 20 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.814 105.9 63.7 -68.1 -32.1 5.7 -5.5 36.6 130 275 A S H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.907 105.0 44.9 -57.4 -47.0 7.0 -8.1 39.2 131 276 A K H > S+ 0 0 127 -3,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.797 114.3 49.5 -70.4 -30.6 5.4 -6.1 42.1 132 277 A I H >< S+ 0 0 0 -4,-1.2 3,-0.9 2,-0.2 -2,-0.2 0.958 112.3 46.6 -69.4 -54.2 2.1 -5.8 40.1 133 278 A Q H 3< S+ 0 0 105 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.779 116.0 44.8 -57.3 -37.5 1.9 -9.5 39.2 134 279 A S H 3< S+ 0 0 81 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.537 85.6 116.5 -90.6 -5.9 2.7 -10.7 42.7 135 280 A D << - 0 0 50 -3,-0.9 -3,-0.0 -4,-0.5 -4,-0.0 -0.396 53.8-154.3 -67.0 135.7 0.3 -8.2 44.5 136 281 A K S S+ 0 0 106 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.0 0.615 87.8 51.5 -86.9 -17.8 -2.6 -9.9 46.4 137 282 A S S S+ 0 0 95 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.710 87.4 96.1 -94.0 -22.7 -5.2 -7.1 46.3 138 283 A L - 0 0 23 -6,-0.2 2,-0.4 1,-0.0 0, 0.0 -0.391 59.4-153.0 -72.5 144.7 -5.1 -6.4 42.5 139 284 A R - 0 0 82 -2,-0.1 2,-0.4 0, 0.0 -2,-0.0 -0.962 11.4-150.9-117.5 131.3 -7.7 -8.0 40.2 140 285 A F - 0 0 45 -2,-0.4 2,-0.1 2,-0.0 0, 0.0 -0.842 11.0-126.3-111.1 144.7 -6.8 -8.6 36.5 141 286 A T > - 0 0 75 -2,-0.4 4,-2.0 -29,-0.1 5,-0.1 -0.355 34.4-108.2 -73.3 162.9 -9.0 -8.7 33.4 142 287 A Q H > S+ 0 0 134 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.831 123.3 53.9 -64.0 -31.0 -8.8 -11.9 31.2 143 288 A M H > S+ 0 0 55 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.906 109.1 48.2 -66.4 -44.0 -6.9 -9.7 28.6 144 289 A Q H > S+ 0 0 9 -32,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.840 108.0 54.4 -66.7 -35.7 -4.3 -8.6 31.3 145 290 A K H X S+ 0 0 105 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.916 112.1 43.9 -63.0 -43.3 -3.9 -12.3 32.4 146 291 A A H X S+ 0 0 9 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.898 111.4 55.7 -66.4 -41.4 -3.0 -13.2 28.8 147 292 A G H < S+ 0 0 1 -4,-2.5 4,-0.2 -36,-0.5 -36,-0.2 0.874 113.8 39.0 -56.7 -44.0 -0.8 -10.1 28.6 148 293 A F H >< S+ 0 0 23 -4,-2.3 3,-0.5 2,-0.2 4,-0.2 0.871 115.2 53.7 -76.2 -38.9 1.2 -11.3 31.6 149 294 A L H 3< S+ 0 0 127 -4,-2.5 -2,-0.2 1,-0.2 3,-0.2 0.859 123.0 26.2 -65.0 -40.4 1.2 -15.0 30.6 150 295 A Y T >X S+ 0 0 42 -4,-2.5 4,-2.2 1,-0.1 3,-0.6 0.221 86.1 125.6-110.4 16.0 2.6 -14.4 27.1 151 296 A Y H <> + 0 0 52 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.763 69.2 51.4 -41.3 -56.6 4.5 -11.1 27.9 152 297 A E H 3> S+ 0 0 169 -4,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.886 115.1 42.3 -54.9 -46.6 8.0 -12.2 26.7 153 298 A D H <4 S+ 0 0 31 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.892 116.9 47.6 -67.2 -43.9 6.8 -13.3 23.2 154 299 A L H < S+ 0 0 27 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.848 109.4 51.7 -69.8 -33.8 4.4 -10.3 22.8 155 300 A V H < S+ 0 0 82 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.2 0.746 95.8 83.1 -76.3 -20.4 7.1 -7.8 23.8 156 301 A S S < S- 0 0 59 -4,-1.0 2,-0.1 -5,-0.2 0, 0.0 -0.685 94.3-117.2 -77.3 123.5 9.4 -9.4 21.1 157 302 A C - 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