==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 13-JAN-13 4IQU . 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) . 18502.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 66.8 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 . 34 9.5 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 . 32 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 36.3 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 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 2 1 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 0 158 0, 0.0 2,-0.4 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 113.7 24.0 -2.2 -4.1 2 150 A I - 0 0 64 63,-0.5 2,-0.1 1,-0.1 7,-0.1 -0.703 360.0-126.0 -78.6 127.6 23.5 -0.1 -0.9 3 151 A S - 0 0 25 -2,-0.4 -1,-0.1 5,-0.4 5,-0.0 -0.417 6.2-131.3 -72.3 153.3 19.8 0.9 -0.6 4 152 A Q S S+ 0 0 87 -2,-0.1 2,-0.5 62,-0.1 -1,-0.1 0.562 89.6 84.2 -76.0 -12.8 18.7 4.6 -0.1 5 153 A Y S > S- 0 0 5 1,-0.1 3,-1.8 3,-0.0 -2,-0.2 -0.864 70.2-150.3 -98.8 126.7 16.5 3.3 2.8 6 154 A A G > S+ 0 0 0 -2,-0.5 3,-1.6 1,-0.3 299,-0.1 0.802 98.8 65.6 -60.0 -30.8 18.1 2.8 6.3 7 155 A C G 3 S+ 0 0 1 1,-0.3 -1,-0.3 298,-0.2 343,-0.1 0.566 102.2 48.6 -70.6 -8.8 15.5 0.0 6.9 8 156 A Q G < S+ 0 0 88 -3,-1.8 -5,-0.4 341,-0.1 2,-0.3 0.078 106.2 74.1-111.9 16.3 17.3 -2.0 4.1 9 157 A R S < S- 0 0 11 -3,-1.6 2,-0.6 -7,-0.1 350,-0.1 -0.946 76.2-131.4-127.6 151.3 20.7 -1.4 5.7 10 158 A R - 0 0 124 -2,-0.3 2,-0.6 42,-0.2 347,-0.2 -0.929 26.0-174.1-103.5 115.0 22.5 -2.8 8.7 11 159 A T B +a 357 0A 0 345,-2.8 347,-2.2 -2,-0.6 2,-0.2 -0.923 6.4 179.5-119.4 104.0 23.9 0.1 10.8 12 160 A T - 0 0 49 -2,-0.6 344,-0.1 39,-0.3 177,-0.1 -0.508 42.3-104.7-100.2 166.3 26.0 -1.1 13.8 13 161 A L S S+ 0 0 91 342,-0.3 2,-1.8 175,-0.2 343,-0.1 0.608 97.4 93.7 -74.7 -6.8 27.9 1.0 16.4 14 162 A N - 0 0 83 2,-0.0 2,-0.6 37,-0.0 -2,-0.2 -0.596 63.1-175.7 -82.2 78.7 31.3 0.3 14.8 15 163 A N > - 0 0 40 -2,-1.8 3,-0.5 1,-0.1 36,-0.1 -0.754 16.1-175.6 -81.9 116.7 31.2 3.5 12.7 16 164 A Y T 3 S+ 0 0 110 -2,-0.6 3,-0.2 37,-0.5 -1,-0.1 0.456 80.1 53.3 -88.9 -4.6 34.3 3.6 10.4 17 165 A N T >> + 0 0 2 39,-0.1 4,-2.6 36,-0.1 3,-1.0 -0.032 59.9 130.9-124.6 32.2 33.4 7.1 9.1 18 166 A Q H <> S+ 0 0 114 -3,-0.5 4,-2.6 1,-0.3 5,-0.3 0.789 71.4 62.8 -56.5 -32.0 33.0 9.2 12.3 19 167 A L H 3> S+ 0 0 105 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.909 114.6 32.6 -58.8 -43.1 35.3 11.9 10.8 20 168 A F H <> S+ 0 0 10 -3,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.911 121.0 47.6 -79.2 -49.3 32.7 12.4 7.9 21 169 A T H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -3,-0.2 0.819 106.7 55.9 -70.4 -33.5 29.5 11.7 9.8 22 170 A D H X S+ 0 0 70 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.934 112.2 44.9 -62.3 -41.8 30.3 13.9 12.9 23 171 A A H X S+ 0 0 6 -4,-0.8 4,-2.1 -5,-0.3 -2,-0.2 0.923 115.0 47.2 -63.8 -46.7 30.7 16.9 10.4 24 172 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.869 110.5 52.7 -64.2 -38.1 27.5 15.9 8.5 25 173 A D H X S+ 0 0 56 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.844 109.9 48.6 -65.3 -37.4 25.6 15.6 11.8 26 174 A I H X S+ 0 0 33 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.912 113.1 47.1 -68.3 -44.3 26.7 19.1 12.8 27 175 A L H X S+ 0 0 14 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.895 113.3 48.7 -65.1 -39.7 25.7 20.6 9.4 28 176 A A H X S+ 0 0 4 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.908 111.2 50.2 -64.6 -43.5 22.3 18.8 9.6 29 177 A E H X S+ 0 0 63 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.885 109.8 50.7 -63.2 -41.3 21.8 20.1 13.2 30 178 A N H X S+ 0 0 21 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.903 108.0 52.2 -63.3 -41.9 22.6 23.7 12.1 31 179 A D H <>S+ 0 0 20 -4,-1.9 5,-2.9 2,-0.2 -1,-0.2 0.784 108.1 52.6 -65.2 -27.8 20.1 23.4 9.2 32 180 A E H ><5S+ 0 0 97 -4,-1.4 3,-1.3 3,-0.2 -2,-0.2 0.932 111.2 46.0 -70.2 -45.2 17.5 22.3 11.8 33 181 A L H 3<5S+ 0 0 14 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.855 112.4 49.9 -64.0 -38.7 18.3 25.4 13.9 34 182 A R T 3<5S- 0 0 123 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.314 115.7-118.9 -83.5 6.2 18.1 27.6 10.8 35 183 A E T < 5 + 0 0 141 -3,-1.3 2,-1.2 1,-0.2 -3,-0.2 0.686 67.4 143.7 60.3 27.0 14.7 26.0 9.9 36 184 A N >< + 0 0 81 -5,-2.9 4,-2.1 1,-0.2 -1,-0.2 -0.694 19.9 172.6 -96.3 78.3 16.1 24.6 6.6 37 185 A E H > S+ 0 0 127 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.824 73.0 52.5 -52.9 -44.1 14.3 21.2 6.6 38 186 A G H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 112.0 41.4 -63.7 -52.2 15.4 20.3 3.1 39 187 A S H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.860 114.3 55.7 -66.6 -34.1 19.2 20.8 3.6 40 188 A C H X S+ 0 0 6 -4,-2.1 4,-2.3 -9,-0.2 -2,-0.2 0.940 108.3 47.2 -59.7 -51.4 18.8 19.1 7.0 41 189 A L H X S+ 0 0 57 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.875 109.8 52.8 -60.5 -42.8 17.3 16.0 5.4 42 190 A A H X S+ 0 0 54 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.898 112.6 44.0 -61.5 -44.1 20.0 15.8 2.7 43 191 A F H X S+ 0 0 15 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.871 112.8 53.2 -69.4 -36.1 22.8 15.9 5.3 44 192 A M H X S+ 0 0 51 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.881 110.0 46.6 -66.1 -40.1 21.0 13.4 7.6 45 193 A R H X S+ 0 0 47 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.876 114.3 48.1 -70.3 -38.2 20.5 10.8 4.7 46 194 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.935 113.6 46.5 -66.3 -47.9 24.2 11.2 3.7 47 195 A S H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.934 111.9 52.8 -58.1 -48.6 25.4 10.8 7.3 48 196 A S H X S+ 0 0 1 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.890 108.7 48.0 -53.8 -51.0 23.1 7.7 7.7 49 197 A V H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 4,-0.4 0.888 111.3 50.3 -62.2 -40.9 24.4 5.9 4.6 50 198 A L H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -34,-0.3 0.883 103.5 60.2 -67.1 -33.3 28.1 6.4 5.6 51 199 A K H 3< S+ 0 0 46 -4,-2.0 -39,-0.3 1,-0.3 -1,-0.2 0.772 101.8 55.5 -61.1 -28.3 27.3 5.1 9.1 52 200 A S T << S+ 0 0 24 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.569 82.1 112.9 -80.7 -14.1 26.3 1.8 7.4 53 201 A L < - 0 0 6 -3,-1.4 -37,-0.5 -4,-0.4 -36,-0.1 -0.349 60.3-148.6 -65.2 139.2 29.6 1.3 5.6 54 202 A P S S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.330 82.6 40.0 -87.0 6.9 31.8 -1.7 6.7 55 203 A F S S- 0 0 78 -38,-0.0 2,-0.3 0, 0.0 -39,-0.1 -0.980 90.1 -99.2-147.6 156.5 35.0 0.3 5.8 56 204 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -39,-0.1 -0.604 34.8-116.9 -81.2 142.7 36.3 3.9 6.1 57 205 A I + 0 0 6 -2,-0.3 3,-0.1 1,-0.1 -37,-0.1 -0.601 41.5 164.3 -70.6 126.3 36.2 6.3 3.1 58 206 A T + 0 0 103 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.402 63.3 19.2-125.7 -2.5 39.9 7.1 2.3 59 207 A S S > S- 0 0 46 1,-0.1 3,-0.9 0, 0.0 -1,-0.3 -0.963 80.0-107.4-158.6 161.5 39.5 8.6 -1.2 60 208 A M G > S+ 0 0 58 -2,-0.3 3,-2.1 1,-0.2 4,-0.2 0.837 115.7 66.7 -65.0 -29.8 36.7 10.1 -3.4 61 209 A K G > S+ 0 0 59 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.830 89.5 66.4 -57.8 -33.8 36.7 6.9 -5.5 62 210 A D G < S+ 0 0 50 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.640 91.1 63.4 -63.2 -15.2 35.4 5.0 -2.4 63 211 A T G X S+ 0 0 5 -3,-2.1 3,-1.9 -4,-0.2 -1,-0.3 0.540 74.7 121.3 -89.0 -5.3 32.1 7.1 -2.7 64 212 A E T < S+ 0 0 155 -3,-1.8 -3,-0.0 1,-0.3 0, 0.0 -0.349 81.2 9.9 -62.2 129.0 31.2 5.5 -6.1 65 213 A G T 3 S+ 0 0 75 1,-0.3 -63,-0.5 -2,-0.1 -1,-0.3 0.373 93.3 128.7 81.9 -1.8 27.9 3.7 -6.0 66 214 A I < - 0 0 14 -3,-1.9 3,-0.5 -65,-0.1 -1,-0.3 -0.753 52.1-140.2 -86.4 123.0 26.9 5.1 -2.6 67 215 A P S S+ 0 0 35 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.265 76.0 39.5 -76.2 171.2 23.4 6.6 -2.7 68 216 A C S S+ 0 0 40 1,-0.1 2,-0.6 -19,-0.1 -19,-0.1 0.684 79.0 124.6 66.1 25.3 22.3 9.9 -1.0 69 217 A L - 0 0 15 -3,-0.5 -1,-0.1 -6,-0.1 -26,-0.1 -0.822 38.8-177.5-118.1 88.1 25.6 11.7 -1.7 70 218 A G > - 0 0 42 -2,-0.6 4,-2.5 -28,-0.1 5,-0.2 -0.148 44.3 -93.6 -73.4 174.7 24.9 14.9 -3.6 71 219 A D H > S+ 0 0 147 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.890 125.7 51.8 -58.2 -43.5 27.5 17.4 -4.9 72 220 A K H > S+ 0 0 109 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.936 112.7 45.7 -59.3 -48.1 27.3 19.5 -1.7 73 221 A V H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.899 110.3 53.4 -62.1 -44.4 27.9 16.4 0.5 74 222 A K H X S+ 0 0 68 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.843 105.5 54.5 -64.2 -31.3 30.8 15.2 -1.8 75 223 A S H X S+ 0 0 48 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.887 109.2 48.3 -66.5 -38.6 32.5 18.6 -1.5 76 224 A I H X S+ 0 0 1 -4,-1.4 4,-1.6 -3,-0.2 -2,-0.2 0.924 111.9 48.2 -67.5 -45.0 32.4 18.2 2.4 77 225 A I H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.913 110.8 52.5 -59.4 -45.3 33.8 14.6 2.2 78 226 A E H X S+ 0 0 101 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.882 108.2 50.7 -57.8 -44.8 36.6 15.9 -0.2 79 227 A G H X S+ 0 0 19 -4,-1.9 4,-1.7 2,-0.2 6,-0.5 0.819 110.3 48.6 -62.6 -37.8 37.6 18.6 2.3 80 228 A I H X S+ 0 0 3 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.902 111.0 50.3 -71.8 -40.8 37.8 16.1 5.2 81 229 A I H < S+ 0 0 63 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.902 111.2 52.6 -60.1 -41.9 40.0 13.7 3.1 82 230 A E H < S+ 0 0 145 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.892 133.1 2.2 -59.2 -54.9 42.2 16.7 2.2 83 231 A D H < S- 0 0 101 -4,-1.7 -2,-0.2 2,-0.4 -1,-0.2 0.253 95.1-109.2-124.8 6.0 43.0 18.1 5.8 84 232 A G S < S+ 0 0 39 -4,-2.5 2,-0.3 1,-0.2 -4,-0.2 0.396 93.1 75.1 74.9 -0.6 41.3 15.6 8.3 85 233 A E S S- 0 0 100 -6,-0.5 2,-0.6 -5,-0.1 -2,-0.4 -0.921 78.6-120.0-138.4 162.4 38.7 18.3 9.2 86 234 A S > - 0 0 10 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.936 12.3-164.8-105.6 114.5 35.6 20.0 7.8 87 235 A S H > S+ 0 0 81 -2,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.861 93.4 53.6 -63.3 -36.6 36.0 23.8 7.4 88 236 A E H > S+ 0 0 57 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.904 111.7 42.6 -63.6 -48.8 32.1 24.0 7.0 89 237 A A H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.842 111.8 56.3 -69.1 -33.3 31.5 22.1 10.3 90 238 A K H X S+ 0 0 101 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.880 106.1 50.2 -64.2 -40.8 34.3 24.1 12.1 91 239 A A H X S+ 0 0 65 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.865 110.2 50.4 -66.7 -36.2 32.5 27.4 11.1 92 240 A V H >< S+ 0 0 12 -4,-1.4 3,-1.0 1,-0.2 -2,-0.2 0.922 107.9 53.4 -66.8 -42.5 29.2 26.0 12.5 93 241 A L H 3< S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.765 113.6 43.1 -64.2 -24.9 30.9 25.0 15.8 94 242 A N H 3< S+ 0 0 105 -4,-1.1 -1,-0.3 -3,-0.2 2,-0.2 0.459 88.4 112.9 -98.8 -6.9 32.3 28.6 16.1 95 243 A D S+ 0 0 97 -2,-0.2 4,-2.1 2,-0.2 5,-0.1 0.852 99.0 49.3 -68.0 -38.4 27.3 32.2 18.0 97 245 A R H > S+ 0 0 32 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 113.5 47.1 -66.7 -43.2 23.7 31.3 17.2 98 246 A Y H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.917 113.1 48.4 -62.4 -48.0 24.6 27.6 16.9 99 247 A K H X S+ 0 0 86 -4,-2.3 4,-2.3 -7,-0.2 -1,-0.2 0.899 113.8 47.3 -58.5 -44.6 26.6 27.6 20.2 100 248 A S H X S+ 0 0 4 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.901 112.0 49.2 -64.2 -45.4 23.7 29.4 22.0 101 249 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.915 113.6 45.8 -64.3 -42.6 21.1 27.0 20.6 102 250 A K H X S+ 0 0 68 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.914 116.8 45.5 -63.1 -46.2 23.1 23.9 21.6 103 251 A L H >< S+ 0 0 64 -4,-2.3 3,-0.5 -5,-0.2 -2,-0.2 0.929 116.6 43.2 -65.0 -48.1 23.8 25.3 25.1 104 252 A F H >< S+ 0 0 0 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.914 113.3 49.8 -69.1 -43.1 20.3 26.5 25.8 105 253 A T H 3< S+ 0 0 46 -4,-2.4 -1,-0.2 1,-0.3 5,-0.2 0.614 92.8 78.0 -74.6 -6.0 18.4 23.4 24.5 106 254 A S T << S+ 0 0 47 -4,-0.7 2,-0.4 -3,-0.5 -1,-0.3 0.614 80.2 87.8 -73.9 -11.0 20.8 21.2 26.6 107 255 A V S X S- 0 0 3 -3,-1.5 3,-1.8 -4,-0.2 2,-0.2 -0.758 94.2-112.6 -87.4 131.8 18.5 22.3 29.5 108 256 A F T 3 S+ 0 0 33 -2,-0.4 36,-0.5 36,-0.3 37,-0.1 -0.487 104.8 26.9 -64.9 126.3 15.5 20.0 30.1 109 257 A G T 3 S+ 0 0 23 -2,-0.2 2,-0.6 1,-0.2 32,-0.3 0.332 94.8 111.6 101.5 -2.3 12.4 22.0 29.2 110 258 A V < + 0 0 12 -3,-1.8 -1,-0.2 -5,-0.2 2,-0.1 -0.924 39.9 169.6-111.0 119.4 14.1 24.4 26.7 111 259 A G > - 0 0 36 -2,-0.6 4,-2.4 -3,-0.1 5,-0.2 -0.385 51.3 -73.2-110.9-170.5 13.2 24.1 23.0 112 260 A L H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.850 125.8 49.0 -56.6 -45.4 13.8 26.1 19.8 113 261 A K H > S+ 0 0 171 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 114.7 43.1 -67.3 -43.5 11.4 29.0 20.6 114 262 A T H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.902 114.6 51.2 -67.9 -40.6 12.7 29.6 24.2 115 263 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.906 112.3 46.9 -62.1 -42.4 16.4 29.3 23.0 116 264 A E H X S+ 0 0 62 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.885 111.4 51.6 -64.8 -43.4 15.7 31.8 20.2 117 265 A K H X S+ 0 0 114 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.921 111.6 46.0 -59.0 -50.0 13.9 34.2 22.6 118 266 A W H <>S+ 0 0 3 -4,-2.5 5,-2.2 2,-0.2 3,-0.4 0.886 112.0 51.7 -63.2 -40.6 16.9 34.1 25.1 119 267 A F H ><5S+ 0 0 33 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.915 109.5 48.9 -61.0 -46.5 19.4 34.6 22.2 120 268 A R H 3<5S+ 0 0 162 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.663 105.9 58.9 -71.4 -14.0 17.5 37.7 20.9 121 269 A M T 3<5S- 0 0 95 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.561 124.1-106.7 -86.3 -9.6 17.4 39.0 24.5 122 270 A G T < 5 + 0 0 52 -3,-1.5 -3,-0.2 -4,-0.3 2,-0.2 0.459 70.0 145.8 97.6 4.5 21.3 39.0 24.5 123 271 A F < + 0 0 28 -5,-2.2 -1,-0.3 1,-0.1 -2,-0.1 -0.534 12.4 160.5 -74.7 142.6 21.8 35.9 26.7 124 272 A R + 0 0 96 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.393 58.0 54.5-136.5 -15.5 24.8 33.7 25.9 125 273 A T > - 0 0 63 1,-0.1 4,-1.4 -22,-0.0 -1,-0.2 -0.956 69.3-134.1-129.6 150.8 25.4 31.7 29.1 126 274 A L H > S+ 0 0 19 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.814 107.5 60.7 -68.5 -31.4 23.3 29.5 31.4 127 275 A S H > S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 106.1 45.9 -60.2 -44.6 24.7 31.4 34.5 128 276 A K H > S+ 0 0 136 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.847 114.1 49.2 -70.9 -33.0 23.2 34.7 33.2 129 277 A I H >< S+ 0 0 0 -4,-1.4 3,-0.9 2,-0.2 -2,-0.2 0.962 113.0 45.5 -69.1 -52.5 19.9 33.0 32.4 130 278 A Q H 3< S+ 0 0 97 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.806 115.4 45.9 -58.3 -42.3 19.5 31.3 35.8 131 279 A S H 3< S+ 0 0 64 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.495 83.7 116.9 -83.4 -7.5 20.4 34.4 37.9 132 280 A D << - 0 0 55 -3,-0.9 -3,-0.0 -4,-0.5 -4,-0.0 -0.419 51.9-158.0 -65.5 132.5 18.2 36.8 35.9 133 281 A K S S+ 0 0 188 1,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 0.537 87.1 52.1 -92.3 -3.2 15.5 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 0.755 87.2 96.5 -99.5 -30.7 13.1 39.3 35.3 135 283 A L - 0 0 28 -6,-0.2 2,-0.4 1,-0.0 -6,-0.0 -0.272 60.8-148.7 -63.6 144.6 12.9 35.8 33.5 136 284 A R - 0 0 224 -2,-0.0 2,-0.4 0, 0.0 -1,-0.0 -0.958 12.4-155.5-117.7 131.5 10.0 33.4 34.2 137 285 A F - 0 0 46 -2,-0.4 2,-0.0 2,-0.0 0, 0.0 -0.903 13.5-124.2-112.6 143.2 10.6 29.7 33.9 138 286 A T > - 0 0 77 -2,-0.4 4,-2.3 -29,-0.1 5,-0.2 -0.280 35.6-106.9 -70.4 161.3 8.2 26.7 33.3 139 287 A Q H > S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.879 123.6 54.0 -58.4 -35.9 8.1 23.9 35.9 140 288 A M H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 109.2 46.9 -63.6 -45.4 10.1 21.7 33.3 141 289 A Q H > S+ 0 0 9 -32,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.857 107.6 56.5 -65.7 -39.8 12.8 24.4 33.0 142 290 A K H X S+ 0 0 104 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.941 112.2 42.4 -55.6 -48.6 13.1 24.8 36.8 143 291 A A H X S+ 0 0 9 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.896 110.9 57.3 -64.7 -41.3 13.8 21.0 37.0 144 292 A G H < S+ 0 0 0 -4,-2.3 -36,-0.3 -36,-0.5 -1,-0.2 0.851 113.6 38.2 -57.2 -40.0 16.1 21.3 34.0 145 293 A F H >< S+ 0 0 19 -4,-2.2 3,-0.9 2,-0.2 4,-0.3 0.869 113.9 54.4 -78.7 -41.9 18.3 23.9 35.8 146 294 A L H 3< S+ 0 0 127 -4,-2.6 -2,-0.2 1,-0.2 3,-0.2 0.874 123.1 27.2 -60.6 -40.4 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 5,-0.2 0.088 86.1 125.2-111.2 21.1 19.4 18.8 38.0 148 296 A Y H <> S+ 0 0 38 -3,-0.9 4,-2.2 1,-0.2 5,-0.2 0.850 71.0 48.9 -48.8 -55.1 21.4 20.2 35.1 149 297 A E H > S+ 0 0 139 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.902 115.4 44.3 -59.8 -43.4 24.8 18.7 35.9 150 298 A D H 4 S+ 0 0 28 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.901 116.0 46.8 -65.7 -44.3 23.3 15.2 36.4 151 299 A L H < S+ 0 0 24 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.768 110.7 51.8 -71.0 -27.2 21.1 15.4 33.3 152 300 A V H < S+ 0 0 60 -4,-2.2 -1,-0.2 -5,-0.2 2,-0.2 0.759 95.1 86.6 -82.2 -23.2 24.0 16.7 31.1 153 301 A S S < S- 0 0 58 -4,-1.2 2,-0.1 -5,-0.2 0, 0.0 -0.518 94.8 -99.8 -73.1 140.3 26.2 13.7 32.3 154 302 A C - 0 0 66 -2,-0.2 2,-0.4 1,-0.1 40,-0.2 -0.399 26.2-129.2 -65.4 134.0 25.8 10.5 30.2 155 303 A V E -B 193 0B 5 38,-2.9 38,-1.4 -4,-0.1 2,-0.1 -0.708 31.3-154.4 -75.2 126.6 23.5 7.7 31.6 156 304 A N E > -B 192 0B 55 -2,-0.4 4,-2.3 36,-0.2 36,-0.2 -0.455 27.5 -98.6 -99.3 175.6 25.6 4.5 31.4 157 305 A R H > S+ 0 0 118 34,-0.7 4,-2.9 2,-0.2 5,-0.2 0.939 121.7 53.7 -66.0 -44.3 24.4 0.8 31.2 158 306 A P H > S+ 0 0 37 0, 0.0 4,-1.9 0, 0.0 110,-0.3 0.902 113.4 45.6 -55.8 -38.0 24.7 -0.0 35.0 159 307 A E H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.916 112.2 49.6 -67.8 -43.8 22.6 3.1 35.7 160 308 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.883 112.5 49.3 -60.8 -39.0 20.0 2.2 32.9 161 309 A E H X S+ 0 0 102 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.885 108.9 51.4 -67.5 -39.6 19.9 -1.4 34.5 162 310 A A H X S+ 0 0 6 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.902 112.0 47.2 -62.8 -40.3 19.4 0.1 38.0 163 311 A V H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.916 108.3 55.8 -66.9 -43.9 16.5 2.2 36.6 164 312 A S H X S+ 0 0 4 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.889 106.6 50.6 -54.2 -44.2 15.0 -0.9 34.8 165 313 A M H X S+ 0 0 85 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.904 111.2 48.1 -59.7 -45.2 14.9 -2.7 38.2 166 314 A L H X S+ 0 0 7 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.921 113.6 47.3 -61.3 -47.1 13.1 0.3 39.8 167 315 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.944 114.6 45.5 -60.4 -52.5 10.6 0.4 36.9 168 316 A K H X S+ 0 0 81 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.925 112.3 51.3 -59.7 -47.4 9.9 -3.4 36.9 169 317 A E H X S+ 0 0 108 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.866 115.7 42.0 -56.8 -43.4 9.6 -3.4 40.8 170 318 A A H X S+ 0 0 0 -4,-2.1 4,-0.7 -5,-0.2 3,-0.4 0.937 115.5 48.5 -70.8 -48.3 7.0 -0.6 40.7 171 319 A V H >X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 3,-1.3 0.921 109.5 49.9 -59.8 -51.9 5.0 -1.8 37.7 172 320 A V H 3< S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.743 99.0 69.9 -64.5 -21.4 4.6 -5.5 38.9 173 321 A T H 3< S+ 0 0 90 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.856 117.1 21.4 -61.5 -36.2 3.3 -4.2 42.3 174 322 A F H << S+ 0 0 67 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.2 0.750 141.0 26.3-103.6 -33.5 0.1 -3.0 40.5 175 323 A L >< - 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0 0 7 -4,-0.9 2,-0.2 -3,-0.3 -1,-0.1 -0.300 65.0-149.7 71.7-154.7 14.5 3.8 16.8 302 453 A S > - 0 0 10 57,-0.2 4,-2.3 56,-0.1 -1,-0.2 0.628 38.7-127.4 -66.6 175.3 16.9 5.2 15.6 303 454 A R H > S+ 0 0 204 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.915 111.3 47.5 -58.0 -44.2 14.9 8.4 14.4 304 455 A Q H > S+ 0 0 8 55,-0.5 4,-2.3 2,-0.2 -298,-0.2 0.875 109.6 52.5 -64.8 -40.3 16.4 7.9 10.9 305 456 A F H > S+ 0 0 0 54,-0.4 4,-2.3 52,-0.3 -1,-0.2 0.912 111.7 46.8 -60.5 -43.3 15.6 4.2 10.9 306 457 A E H X S+ 0 0 28 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.912 111.0 51.2 -64.2 -47.9 11.9 5.0 11.8 307 458 A R H X S+ 0 0 30 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.922 114.4 43.5 -54.5 -48.9 11.7 7.8 9.1 308 459 A D H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.853 110.4 55.6 -70.3 -36.0 13.0 5.4 6.4 309 460 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.909 113.3 41.4 -55.0 -49.9 10.7 2.5 7.6 310 461 A R H X S+ 0 0 20 -4,-2.2 4,-2.1 2,-0.2 11,-0.2 0.882 115.6 50.0 -69.1 -39.4 7.6 4.7 7.2 311 462 A R H X S+ 0 0 60 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.923 113.0 46.8 -64.6 -46.7 8.9 6.2 3.9 312 463 A Y H X>S+ 0 0 11 -4,-3.1 4,-2.5 2,-0.2 5,-1.1 0.940 111.0 52.3 -58.8 -50.9 9.6 2.6 2.5 313 464 A A H X5S+ 0 0 0 -4,-2.5 6,-2.9 -5,-0.2 4,-0.8 0.918 117.9 37.7 -52.4 -47.3 6.1 1.4 3.7 314 465 A T H X5S+ 0 0 52 -4,-2.1 4,-0.9 4,-0.2 -2,-0.2 0.965 125.6 33.3 -68.9 -59.8 4.3 4.3 1.9 315 466 A H H <5S+ 0 0 139 -4,-2.8 -3,-0.2 1,-0.1 -2,-0.2 0.816 130.7 28.6 -73.6 -36.9 6.4 4.7 -1.3 316 467 A E H <5S+ 0 0 92 -4,-2.5 -3,-0.2 -5,-0.4 -1,-0.1 0.761 133.6 24.1 -97.9 -31.3 7.4 1.0 -2.0 317 468 A R H <> -GH 319 333D 13 5,-2.9 4,-1.4 -2,-0.4 5,-1.3 -0.873 7.5-167.6 -97.4 109.7 -2.4 -2.1 3.7 329 480 A R T 45S+ 0 0 110 -11,-1.9 -1,-0.1 -2,-0.7 -10,-0.1 0.743 86.9 49.2 -70.3 -26.0 -4.1 0.3 1.3 330 481 A T T 45S+ 0 0 107 -12,-0.4 -1,-0.2 1,-0.1 -11,-0.1 0.928 120.0 34.1 -79.6 -47.9 -4.3 -2.3 -1.5 331 482 A K T 45S- 0 0 155 2,-0.2 -2,-0.2 1,-0.0 -1,-0.1 0.648 101.5-136.3 -78.8 -16.6 -5.9 -5.1 0.6 332 483 A R T <5 + 0 0 199 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.884 64.4 117.9 58.8 44.3 -7.8 -2.4 2.6 333 484 A V E < -H 328 0D 74 -5,-1.3 -5,-2.9 0, 0.0 2,-0.3 -0.982 68.7-119.2-139.7 147.5 -7.0 -4.2 5.9 334 485 A F E -H 327 0D 89 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.3 -0.703 34.1-132.2 -81.7 135.5 -5.0 -3.6 9.1 335 486 A L - 0 0 25 -9,-3.3 -9,-0.5 -2,-0.3 2,-0.2 -0.830 15.3-141.6 -99.0 128.3 -2.1 -6.0 9.5 336 487 A E - 0 0 161 -2,-0.5 2,-0.3 -11,-0.1 -45,-0.1 -0.599 19.3-178.4 -85.7 150.0 -1.6 -7.8 12.9 337 488 A A - 0 0 4 -47,-0.4 -44,-0.5 -2,-0.2 -43,-0.2 -0.980 25.6-174.8-152.5 136.3 1.8 -8.5 14.4 338 489 A E S S+ 0 0 107 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.501 82.8 21.5-102.9 -12.3 2.9 -10.2 17.7 339 490 A S S > S- 0 0 37 1,-0.1 4,-1.0 -47,-0.0 3,-0.2 -0.937 80.6-108.8-150.1 164.7 6.6 -9.3 17.1 340 491 A E H > S+ 0 0 4 -2,-0.3 4,-2.3 1,-0.2 3,-0.4 0.866 116.8 63.6 -65.5 -37.4 8.8 -6.9 15.2 341 492 A E H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.873 100.7 51.1 -51.2 -44.0 9.8 -9.8 12.9 342 493 A E H > S+ 0 0 81 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.822 107.9 52.2 -65.9 -34.2 6.2 -10.1 11.7 343 494 A I H X S+ 0 0 0 -4,-1.0 4,-1.6 -3,-0.4 -2,-0.2 0.951 111.3 46.4 -67.1 -47.7 6.1 -6.3 10.9 344 495 A F H X>S+ 0 0 2 -4,-2.3 5,-2.5 1,-0.2 4,-0.5 0.913 112.5 50.8 -58.4 -45.9 9.3 -6.7 8.8 345 496 A A H ><5S+ 0 0 73 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.897 108.1 52.3 -60.6 -41.4 7.8 -9.8 7.0 346 497 A H H 3<5S+ 0 0 63 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.829 111.5 48.2 -59.1 -37.5 4.5 -7.8 6.3 347 498 A L H 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.461 115.3-115.6 -82.2 -9.5 6.7 -5.0 4.7 348 499 A G T <<5S+ 0 0 38 -3,-1.1 2,-0.4 -4,-0.5 -3,-0.2 0.810 70.6 137.0 74.3 31.7 8.8 -7.5 2.6 349 500 A L < - 0 0 12 -5,-2.5 -1,-0.3 -6,-0.1 2,-0.2 -0.875 61.0-114.7-110.8 143.1 12.0 -6.6 4.5 350 501 A D - 0 0 123 -2,-0.4 2,-0.1 1,-0.1 -3,-0.0 -0.521 52.9 -93.1 -67.0 139.2 14.7 -8.8 5.8 351 502 A Y - 0 0 48 -2,-0.2 2,-0.5 1,-0.0 -1,-0.1 -0.406 37.6-153.9 -63.0 129.1 14.7 -8.6 9.6 352 503 A I - 0 0 3 -2,-0.1 5,-0.1 -3,-0.1 -8,-0.1 -0.942 17.6-129.8-105.1 118.6 17.0 -5.9 11.0 353 504 A E > - 0 0 65 -2,-0.5 3,-2.3 1,-0.1 4,-0.1 -0.333 24.1-110.1 -63.5 151.5 18.2 -6.6 14.6 354 505 A P G > S+ 0 0 8 0, 0.0 3,-1.9 0, 0.0 -166,-0.1 0.893 120.6 54.7 -53.5 -40.3 17.8 -3.7 17.1 355 506 A W G 3 S+ 0 0 135 1,-0.3 -342,-0.3 -168,-0.2 3,-0.3 0.529 104.8 56.6 -69.8 -6.8 21.7 -3.3 17.3 356 507 A E G < S+ 0 0 30 -3,-2.3 -345,-2.8 1,-0.1 -1,-0.3 0.192 88.0 78.5-104.6 8.4 21.6 -2.9 13.4 357 508 A R B < +a 11 0A 0 -3,-1.9 2,-1.2 -347,-0.2 -52,-0.3 0.114 51.1 118.7-106.0 22.9 19.1 0.0 13.5 358 509 A N 0 0 16 -347,-2.2 -1,-0.1 -3,-0.3 -56,-0.1 -0.157 360.0 360.0 -83.0 44.9 21.7 2.7 14.5 359 510 A A 0 0 13 -2,-1.2 -55,-0.5 -350,-0.1 -54,-0.4 -0.264 360.0 360.0 -71.4 360.0 21.0 4.7 11.2