==== 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 4I2B . COMPND 2 MOLECULE: DNA NUCLEOTIDYLEXOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.GOUGE,M.DELARUE . 359 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 66.6 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 9.7 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 . 23 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 35.7 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 2 0 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 0 153 0, 0.0 2,-0.2 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 115.4 23.8 -2.2 -3.5 2 150 A I - 0 0 69 63,-0.3 2,-0.1 1,-0.1 7,-0.1 -0.408 360.0-125.6 -63.0 126.5 23.2 -0.0 -0.4 3 151 A S - 0 0 23 5,-0.4 -1,-0.1 2,-0.2 5,-0.1 -0.433 5.1-133.0 -72.9 150.8 19.6 1.0 0.1 4 152 A Q S S+ 0 0 84 -2,-0.1 2,-0.5 62,-0.1 -1,-0.1 0.566 88.6 84.3 -74.4 -12.5 18.5 4.6 0.4 5 153 A Y S > S- 0 0 9 1,-0.1 3,-1.9 3,-0.0 -2,-0.2 -0.856 70.7-149.6 -98.8 129.6 16.3 3.5 3.4 6 154 A A G > S+ 0 0 0 -2,-0.5 3,-1.7 1,-0.3 300,-0.1 0.806 99.4 64.6 -62.2 -30.8 17.8 3.1 6.9 7 155 A C G 3 S+ 0 0 1 1,-0.3 -1,-0.3 299,-0.2 299,-0.1 0.541 102.3 49.5 -70.5 -8.0 15.2 0.3 7.5 8 156 A Q G < S+ 0 0 88 -3,-1.9 -5,-0.4 342,-0.1 2,-0.3 0.104 105.6 73.8-112.5 15.8 17.0 -1.8 4.7 9 157 A R S < S- 0 0 13 -3,-1.7 2,-0.6 -7,-0.1 351,-0.1 -0.931 75.8-132.0-125.9 152.1 20.5 -1.2 6.3 10 158 A R - 0 0 115 -2,-0.3 2,-0.6 42,-0.2 348,-0.2 -0.936 27.2-175.4-103.0 116.9 22.2 -2.6 9.4 11 159 A T B +a 358 0A 0 346,-2.8 348,-2.2 -2,-0.6 2,-0.2 -0.932 5.3 178.9-122.0 106.5 23.7 0.3 11.4 12 160 A T - 0 0 49 -2,-0.6 345,-0.1 39,-0.3 177,-0.1 -0.501 43.5-102.6-102.6 168.7 25.7 -0.7 14.4 13 161 A L S S+ 0 0 87 343,-0.3 2,-1.8 -2,-0.2 344,-0.1 0.607 98.0 93.7 -73.8 -9.7 27.6 1.5 17.0 14 162 A N - 0 0 84 38,-0.0 2,-0.7 2,-0.0 -2,-0.2 -0.616 61.5-177.8 -81.6 80.1 31.1 0.7 15.3 15 163 A N > - 0 0 39 -2,-1.8 3,-0.6 1,-0.1 36,-0.1 -0.786 16.9-175.2 -84.0 115.6 31.0 3.8 13.1 16 164 A Y T 3 S+ 0 0 111 -2,-0.7 3,-0.2 37,-0.6 -1,-0.1 0.473 80.7 54.3 -87.4 -3.3 34.1 3.9 10.9 17 165 A N T >> + 0 0 2 39,-0.1 4,-2.6 33,-0.1 3,-0.8 -0.046 59.3 130.9-124.5 31.8 33.2 7.3 9.5 18 166 A Q H <> S+ 0 0 114 -3,-0.6 4,-2.7 1,-0.2 5,-0.3 0.767 70.7 62.8 -57.2 -31.3 32.8 9.4 12.6 19 167 A L H 3> S+ 0 0 105 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.926 114.1 34.3 -61.0 -41.4 35.1 12.2 11.1 20 168 A F H <> S+ 0 0 11 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.926 120.7 47.1 -77.6 -47.4 32.5 12.6 8.3 21 169 A T H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -3,-0.2 0.813 107.3 55.0 -73.0 -33.4 29.3 12.0 10.3 22 170 A D H X S+ 0 0 69 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.926 113.0 45.0 -61.7 -41.1 30.1 14.2 13.2 23 171 A A H X S+ 0 0 6 -4,-0.9 4,-2.1 -5,-0.3 -2,-0.2 0.934 114.9 46.9 -65.9 -46.4 30.6 17.1 10.7 24 172 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.859 110.6 53.4 -64.6 -36.0 27.4 16.2 8.8 25 173 A D H X S+ 0 0 56 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.863 109.8 48.2 -66.2 -37.6 25.4 15.9 12.1 26 174 A I H X S+ 0 0 31 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.923 112.7 47.8 -67.7 -44.5 26.6 19.5 13.1 27 175 A L H X S+ 0 0 15 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.885 112.3 49.7 -64.1 -40.0 25.6 20.9 9.7 28 176 A A H X S+ 0 0 5 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.908 110.7 49.6 -63.8 -43.6 22.2 19.1 9.9 29 177 A E H X S+ 0 0 52 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.885 110.0 50.6 -65.3 -40.6 21.7 20.6 13.4 30 178 A N H X S+ 0 0 24 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.898 108.6 52.0 -63.9 -41.4 22.6 24.1 12.2 31 179 A D H <>S+ 0 0 21 -4,-1.9 5,-3.0 2,-0.2 -1,-0.2 0.815 108.2 52.4 -64.2 -30.2 20.1 23.8 9.3 32 180 A E H ><5S+ 0 0 97 -4,-1.5 3,-1.3 3,-0.2 -2,-0.2 0.942 111.8 45.5 -68.2 -46.0 17.4 22.8 11.9 33 181 A L H 3<5S+ 0 0 8 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.846 112.2 50.4 -63.4 -39.8 18.2 25.9 13.9 34 182 A R T 3<5S- 0 0 88 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.301 116.5-117.5 -83.7 7.4 18.2 28.1 10.7 35 183 A E T < 5 + 0 0 164 -3,-1.3 2,-1.2 1,-0.2 -3,-0.2 0.686 69.0 142.5 61.9 26.7 14.8 26.5 9.8 36 184 A N >< + 0 0 79 -5,-3.0 4,-2.1 -6,-0.2 -1,-0.2 -0.694 19.4 170.8 -97.1 79.5 16.2 25.0 6.7 37 185 A E H > S+ 0 0 171 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.833 72.6 53.2 -56.3 -42.4 14.3 21.6 6.8 38 186 A G H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 112.0 41.3 -62.8 -52.1 15.4 20.6 3.3 39 187 A S H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.858 113.6 56.3 -66.5 -35.5 19.1 21.0 3.8 40 188 A C H X S+ 0 0 8 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.940 108.0 47.0 -59.4 -50.6 18.7 19.4 7.3 41 189 A L H X S+ 0 0 55 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.872 110.6 52.4 -59.9 -44.3 17.1 16.3 5.8 42 190 A A H X S+ 0 0 53 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.910 112.7 44.2 -60.9 -44.9 19.8 16.0 3.0 43 191 A F H X S+ 0 0 14 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.870 113.2 52.2 -68.3 -36.6 22.7 16.1 5.7 44 192 A M H X S+ 0 0 43 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.886 110.8 46.5 -65.7 -41.1 20.8 13.7 8.0 45 193 A R H X S+ 0 0 68 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.865 114.3 47.9 -68.4 -38.8 20.3 11.0 5.2 46 194 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.922 113.3 47.3 -67.1 -47.6 24.0 11.3 4.1 47 195 A S H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.935 112.1 52.0 -59.0 -46.6 25.2 11.0 7.7 48 196 A S H X S+ 0 0 2 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.891 108.8 48.1 -57.4 -48.8 22.9 8.0 8.2 49 197 A V H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.898 111.0 50.8 -65.4 -37.6 24.1 6.1 5.2 50 198 A L H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.3 -34,-0.3 0.881 102.5 61.3 -68.4 -31.9 27.9 6.6 6.1 51 199 A K H 3< S+ 0 0 47 -4,-2.0 -39,-0.3 1,-0.2 -1,-0.3 0.769 100.6 56.2 -61.0 -25.0 27.1 5.4 9.6 52 200 A S T << S+ 0 0 24 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.578 81.5 113.1 -84.8 -12.6 26.1 2.0 8.0 53 201 A L < - 0 0 6 -3,-1.4 -37,-0.6 -4,-0.4 -36,-0.1 -0.351 59.8-149.4 -67.5 139.5 29.5 1.5 6.2 54 202 A P S S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.318 82.4 40.0 -87.9 8.0 31.6 -1.5 7.3 55 203 A F S S- 0 0 78 -38,-0.0 2,-0.3 0, 0.0 -39,-0.1 -0.982 90.0 -99.3-149.2 156.0 34.8 0.5 6.4 56 204 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 -39,-0.1 -0.606 35.4-116.5 -80.9 140.9 36.2 4.1 6.6 57 205 A I + 0 0 6 -2,-0.3 3,-0.1 1,-0.2 -37,-0.1 -0.568 42.0 163.9 -68.4 127.0 36.0 6.4 3.6 58 206 A T + 0 0 104 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.455 63.2 19.4-124.3 -5.7 39.7 7.2 2.7 59 207 A S S > S- 0 0 47 1,-0.1 3,-0.9 0, 0.0 -1,-0.3 -0.965 79.9-107.2-153.9 163.2 39.2 8.6 -0.9 60 208 A M G > S+ 0 0 60 -2,-0.3 3,-2.0 1,-0.2 4,-0.2 0.835 115.9 66.8 -64.9 -29.3 36.4 10.0 -3.1 61 209 A K G > S+ 0 0 101 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.841 89.9 65.5 -58.1 -34.3 36.4 6.7 -5.1 62 210 A D G < S+ 0 0 50 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.634 91.9 62.9 -63.2 -16.1 35.1 5.0 -1.9 63 211 A T G X S+ 0 0 5 -3,-2.0 3,-1.8 -4,-0.2 -1,-0.3 0.511 75.4 120.8 -87.9 -5.3 31.8 7.1 -2.2 64 212 A E T < S+ 0 0 144 -3,-1.8 -3,-0.0 1,-0.3 0, 0.0 -0.371 81.1 10.6 -62.7 131.9 30.9 5.4 -5.6 65 213 A G T 3 S+ 0 0 75 1,-0.3 -63,-0.3 -2,-0.1 -1,-0.3 0.375 93.2 129.3 80.2 -3.0 27.5 3.6 -5.5 66 214 A I < - 0 0 13 -3,-1.8 3,-0.5 -65,-0.1 -1,-0.3 -0.751 51.6-140.9 -84.0 122.9 26.6 5.1 -2.0 67 215 A P S S+ 0 0 32 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.264 75.9 38.7 -76.0 171.0 23.1 6.7 -2.2 68 216 A C S S+ 0 0 41 1,-0.1 2,-0.6 -19,-0.1 -19,-0.1 0.681 79.2 123.9 65.2 24.5 22.0 10.0 -0.5 69 217 A L - 0 0 15 -3,-0.5 -1,-0.1 -6,-0.1 -3,-0.1 -0.791 39.7-177.2-118.7 87.1 25.4 11.7 -1.3 70 218 A G > - 0 0 43 -2,-0.6 4,-2.4 -28,-0.1 5,-0.2 -0.051 44.2 -92.1 -70.8 176.4 24.6 14.9 -3.2 71 219 A D H > S+ 0 0 140 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.896 125.8 51.6 -61.5 -41.9 27.1 17.4 -4.6 72 220 A K H > S+ 0 0 111 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.930 112.5 46.2 -60.4 -46.7 27.1 19.6 -1.4 73 221 A V H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.900 109.8 53.6 -63.5 -44.2 27.7 16.5 0.8 74 222 A K H X S+ 0 0 67 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.858 105.6 54.2 -63.7 -32.0 30.5 15.2 -1.5 75 223 A S H X S+ 0 0 55 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.898 109.3 48.4 -65.7 -39.7 32.3 18.6 -1.3 76 224 A I H X S+ 0 0 1 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.917 111.9 48.2 -66.3 -43.3 32.2 18.3 2.5 77 225 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.908 110.8 52.4 -60.5 -45.4 33.6 14.7 2.4 78 226 A E H X S+ 0 0 108 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.891 108.6 49.9 -57.1 -46.6 36.4 15.9 -0.0 79 227 A G H X S+ 0 0 12 -4,-2.0 4,-1.8 2,-0.2 6,-0.5 0.822 110.1 49.9 -63.0 -36.2 37.4 18.7 2.4 80 228 A I H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.896 110.8 49.4 -71.2 -39.3 37.6 16.2 5.3 81 229 A I H < S+ 0 0 62 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.902 112.2 51.8 -62.5 -40.8 39.8 13.8 3.3 82 230 A E H < S+ 0 0 145 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.921 132.6 4.9 -58.6 -57.1 42.0 16.8 2.3 83 231 A D H < S- 0 0 94 -4,-1.8 -2,-0.2 2,-0.4 -1,-0.2 0.299 93.7-112.3-115.0 -5.0 42.8 18.3 5.9 84 232 A G S < S+ 0 0 34 -4,-2.2 2,-0.3 -5,-0.2 -4,-0.2 0.454 92.9 80.0 77.1 2.3 41.2 15.8 8.4 85 233 A E S S- 0 0 120 -6,-0.5 2,-0.6 -5,-0.1 -2,-0.4 -0.947 77.2-126.0-136.9 157.6 38.7 18.6 9.3 86 234 A S > - 0 0 10 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 -0.929 12.3-166.0-104.6 113.4 35.5 20.2 7.9 87 235 A S H > S+ 0 0 76 -2,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.854 92.4 54.6 -64.1 -34.4 35.9 24.0 7.6 88 236 A E H > S+ 0 0 62 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.924 111.8 41.5 -65.0 -48.5 32.0 24.2 7.2 89 237 A A H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.868 112.7 55.5 -68.6 -37.1 31.4 22.3 10.5 90 238 A K H X S+ 0 0 60 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.895 106.4 50.6 -60.7 -42.4 34.2 24.2 12.3 91 239 A A H X S+ 0 0 65 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.864 110.3 49.8 -66.4 -33.7 32.5 27.6 11.3 92 240 A V H >< S+ 0 0 13 -4,-1.4 3,-1.1 1,-0.2 7,-0.2 0.927 107.9 53.4 -69.0 -42.8 29.2 26.3 12.7 93 241 A L H 3< S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.733 113.5 44.0 -63.4 -23.6 31.0 25.3 16.0 94 242 A N H 3< S+ 0 0 105 -4,-1.1 -1,-0.3 -3,-0.2 2,-0.2 0.484 88.4 112.3 -98.7 -7.6 32.3 28.8 16.3 95 243 A D S+ 0 0 98 -2,-0.2 4,-2.1 2,-0.2 5,-0.1 0.865 99.1 49.0 -65.1 -39.1 27.5 32.5 18.2 97 245 A R H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.923 113.6 47.1 -66.8 -43.6 23.8 31.6 17.4 98 246 A Y H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.934 112.5 48.7 -63.8 -47.9 24.7 27.9 17.1 99 247 A K H X S+ 0 0 87 -4,-2.5 4,-2.3 -7,-0.2 -1,-0.2 0.905 113.6 47.6 -57.3 -44.8 26.8 27.9 20.4 100 248 A S H X S+ 0 0 5 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.894 111.3 50.0 -63.3 -45.2 23.9 29.6 22.3 101 249 A F H X S+ 0 0 16 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.905 113.4 45.8 -62.5 -43.2 21.2 27.3 20.9 102 250 A K H X S+ 0 0 80 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.930 117.0 45.0 -63.9 -45.7 23.2 24.2 21.9 103 251 A L H >< S+ 0 0 62 -4,-2.3 3,-0.6 -5,-0.2 -2,-0.2 0.921 117.0 43.0 -65.6 -49.0 24.0 25.6 25.3 104 252 A F H >< S+ 0 0 0 -4,-3.1 3,-1.6 1,-0.2 -2,-0.2 0.917 112.9 50.4 -68.7 -43.7 20.5 26.8 26.1 105 253 A T H 3< S+ 0 0 40 -4,-2.4 -1,-0.2 -5,-0.3 5,-0.2 0.595 92.3 78.2 -73.7 -4.3 18.6 23.7 24.8 106 254 A S T << S+ 0 0 46 -4,-0.6 2,-0.5 -3,-0.6 -1,-0.3 0.603 80.2 87.4 -74.1 -10.9 21.0 21.6 27.0 107 255 A V S X S- 0 0 2 -3,-1.6 3,-2.0 -4,-0.2 2,-0.2 -0.793 93.9-113.8 -89.0 128.5 18.7 22.7 29.8 108 256 A F T 3 S+ 0 0 32 -2,-0.5 36,-0.5 36,-0.3 37,-0.1 -0.454 104.5 27.6 -62.4 125.7 15.6 20.4 30.3 109 257 A G T 3 S+ 0 0 22 1,-0.2 2,-0.6 -2,-0.2 32,-0.3 0.327 94.5 112.0 101.0 -2.7 12.5 22.5 29.4 110 258 A V < + 0 0 11 -3,-2.0 -1,-0.2 -5,-0.2 2,-0.1 -0.926 40.4 170.5-110.0 116.3 14.3 24.8 27.0 111 259 A G > - 0 0 39 -2,-0.6 4,-2.5 -3,-0.1 5,-0.2 -0.381 51.8 -74.7-107.2-173.6 13.3 24.4 23.3 112 260 A L H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.833 125.8 50.5 -51.7 -47.4 14.1 26.4 20.1 113 261 A K H > S+ 0 0 181 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 114.2 42.0 -63.8 -48.6 11.7 29.3 20.9 114 262 A T H > S+ 0 0 38 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.908 114.8 51.8 -66.3 -42.1 13.0 30.0 24.4 115 263 A A H X S+ 0 0 5 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.905 112.5 46.1 -59.3 -43.5 16.6 29.6 23.3 116 264 A E H X S+ 0 0 50 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.892 111.6 52.2 -65.0 -43.8 16.0 32.1 20.4 117 265 A K H X S+ 0 0 114 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.919 111.3 46.1 -58.4 -48.6 14.2 34.5 22.8 118 266 A W H <>S+ 0 0 3 -4,-2.6 5,-2.3 2,-0.2 3,-0.4 0.887 111.5 52.2 -65.2 -39.1 17.2 34.5 25.3 119 267 A F H ><5S+ 0 0 40 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.914 109.6 48.4 -62.3 -45.6 19.7 34.9 22.5 120 268 A R H 3<5S+ 0 0 169 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.671 105.4 59.7 -71.9 -15.6 17.9 38.0 21.2 121 269 A M T 3<5S- 0 0 106 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.538 124.7-105.7 -83.3 -9.5 17.8 39.4 24.8 122 270 A G T < 5S+ 0 0 51 -3,-1.5 2,-0.2 -4,-0.3 -3,-0.2 0.501 70.1 147.2 96.4 7.9 21.6 39.3 24.7 123 271 A F < + 0 0 24 -5,-2.3 -1,-0.3 1,-0.1 -2,-0.1 -0.568 12.3 160.0 -77.3 141.4 22.1 36.2 26.9 124 272 A R + 0 0 95 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.448 58.1 53.1-132.6 -18.1 25.2 34.0 26.2 125 273 A T > - 0 0 65 1,-0.1 4,-1.4 -22,-0.0 -1,-0.2 -0.943 68.6-133.9-127.6 153.3 25.7 32.0 29.4 126 274 A L H > S+ 0 0 18 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.829 107.5 60.4 -68.9 -33.6 23.6 29.8 31.7 127 275 A S H > S+ 0 0 85 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.900 106.4 45.8 -58.9 -44.5 25.0 31.6 34.7 128 276 A K H 4 S+ 0 0 139 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.847 114.2 49.2 -71.1 -30.9 23.6 35.0 33.5 129 277 A I H >< S+ 0 0 0 -4,-1.4 3,-1.1 1,-0.2 -2,-0.2 0.963 112.9 45.8 -70.0 -51.6 20.2 33.3 32.6 130 278 A Q H 3< S+ 0 0 97 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.749 115.2 45.7 -61.4 -37.4 19.8 31.6 36.1 131 279 A S T 3< S+ 0 0 67 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.452 83.8 118.5 -88.7 -3.8 20.8 34.6 38.1 132 280 A D < - 0 0 54 -3,-1.1 -3,-0.0 -4,-0.4 -4,-0.0 -0.420 51.6-156.8 -68.4 137.0 18.6 37.1 36.1 133 281 A K S S+ 0 0 189 1,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 0.575 87.4 49.5 -92.7 -9.2 15.9 38.7 38.4 134 282 A S S S+ 0 0 101 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.705 87.2 97.8 -99.4 -27.0 13.4 39.6 35.5 135 283 A L - 0 0 20 -6,-0.2 2,-0.4 1,-0.0 -6,-0.0 -0.320 59.9-151.0 -64.1 144.7 13.3 36.2 33.7 136 284 A R - 0 0 225 -2,-0.0 2,-0.4 0, 0.0 -2,-0.0 -0.982 12.2-156.9-120.5 130.0 10.4 33.9 34.5 137 285 A F - 0 0 43 -2,-0.4 2,-0.0 1,-0.0 -2,-0.0 -0.859 14.9-121.1-110.7 145.7 10.9 30.1 34.1 138 286 A T > - 0 0 76 -2,-0.4 4,-2.3 -29,-0.1 5,-0.1 -0.286 35.2-107.8 -72.2 163.7 8.5 27.3 33.5 139 287 A Q H > S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.881 123.2 55.0 -61.9 -35.7 8.4 24.4 36.2 140 288 A M H > S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 109.5 45.6 -61.0 -46.6 10.2 22.2 33.6 141 289 A Q H > S+ 0 0 8 -32,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.859 107.9 56.7 -66.8 -40.4 13.0 24.8 33.2 142 290 A K H X S+ 0 0 103 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.926 111.8 43.0 -56.5 -47.3 13.3 25.3 37.0 143 291 A A H X S+ 0 0 7 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.898 111.1 57.0 -64.2 -40.2 13.9 21.5 37.3 144 292 A G H < S+ 0 0 0 -4,-2.2 -36,-0.3 -36,-0.5 -2,-0.2 0.857 114.1 37.7 -57.8 -40.7 16.3 21.7 34.3 145 293 A F H >< S+ 0 0 17 -4,-2.4 3,-0.9 2,-0.2 4,-0.3 0.875 114.8 53.5 -78.9 -41.5 18.4 24.3 36.1 146 294 A L H 3< S+ 0 0 128 -4,-2.7 3,-0.2 1,-0.2 -2,-0.2 0.873 122.9 28.5 -61.2 -40.3 18.2 22.7 39.6 147 295 A Y T 3X S+ 0 0 38 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.114 86.2 124.7-109.1 20.9 19.4 19.3 38.3 148 296 A Y H <> S+ 0 0 35 -3,-0.9 4,-2.5 1,-0.2 5,-0.2 0.842 70.8 47.8 -47.7 -56.7 21.5 20.6 35.4 149 297 A E H > S+ 0 0 145 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.906 115.7 45.1 -60.9 -41.0 24.9 19.0 36.3 150 298 A D H 4 S+ 0 0 27 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.913 115.8 46.2 -65.9 -45.1 23.3 15.5 36.8 151 299 A L H < S+ 0 0 25 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.810 111.8 50.7 -70.1 -31.6 21.2 15.7 33.7 152 300 A V H < S+ 0 0 65 -4,-2.5 -1,-0.2 -5,-0.2 2,-0.2 0.740 95.7 81.6 -80.0 -22.6 24.1 16.9 31.5 153 301 A S S < S- 0 0 50 -4,-1.2 2,-0.3 -5,-0.2 0, 0.0 -0.558 98.9 -99.6 -75.1 143.9 26.3 14.0 32.7 154 302 A C - 0 0 63 -2,-0.2 2,-0.3 1,-0.1 40,-0.2 -0.498 23.6-124.5 -74.6 134.8 25.5 10.9 30.7 155 303 A V E -B 193 0B 5 38,-2.5 38,-1.6 -2,-0.3 2,-0.2 -0.579 35.5-155.5 -65.1 129.1 23.2 8.1 32.2 156 304 A N E > -B 192 0B 54 -2,-0.3 4,-2.5 36,-0.2 36,-0.2 -0.503 28.1 -96.4-103.0 176.0 25.3 4.9 31.9 157 305 A R H > S+ 0 0 126 34,-0.7 4,-2.8 2,-0.2 5,-0.3 0.932 122.1 53.0 -64.9 -43.3 24.2 1.2 31.8 158 306 A P H > S+ 0 0 42 0, 0.0 4,-1.8 0, 0.0 110,-0.3 0.919 114.1 45.0 -56.3 -40.2 24.5 0.4 35.6 159 307 A E H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.915 112.1 50.6 -67.2 -44.8 22.3 3.6 36.2 160 308 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.905 112.0 48.2 -60.3 -40.2 19.8 2.6 33.4 161 309 A E H X S+ 0 0 113 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.868 109.5 52.3 -67.8 -38.3 19.5 -1.0 35.0 162 310 A A H X S+ 0 0 6 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.903 111.0 47.7 -64.0 -39.1 19.0 0.5 38.5 163 311 A V H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.925 107.7 55.9 -66.2 -43.4 16.2 2.7 37.0 164 312 A S H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.893 106.9 50.2 -54.9 -43.1 14.7 -0.4 35.3 165 313 A M H X S+ 0 0 101 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.912 111.5 48.2 -61.3 -45.3 14.5 -2.2 38.7 166 314 A L H X S+ 0 0 11 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.910 113.4 47.4 -60.7 -46.5 12.8 0.9 40.3 167 315 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.940 114.6 45.7 -61.9 -51.7 10.2 1.0 37.3 168 316 A K H X S+ 0 0 91 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.912 112.3 51.1 -59.7 -46.8 9.5 -2.7 37.5 169 317 A E H X S+ 0 0 93 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.869 115.9 42.0 -58.0 -42.8 9.1 -2.7 41.3 170 318 A A H X S+ 0 0 0 -4,-2.1 4,-0.7 -5,-0.2 3,-0.4 0.935 115.8 48.3 -69.7 -49.5 6.7 0.2 41.2 171 319 A V H >X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 3,-1.2 0.909 109.7 49.7 -60.3 -49.8 4.7 -1.1 38.2 172 320 A V H 3< S+ 0 0 65 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.720 98.8 69.8 -68.6 -18.9 4.1 -4.7 39.4 173 321 A T H 3< S+ 0 0 88 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.852 117.6 21.4 -61.5 -35.7 2.9 -3.3 42.8 174 322 A F H << S+ 0 0 65 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.1 0.776 140.7 26.4-104.0 -35.6 -0.3 -2.0 40.9 175 323 A L >< - 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0 0 7 -4,-0.9 2,-0.2 1,-0.2 -1,-0.1 -0.324 64.3-151.3 71.0-155.3 14.3 4.2 17.3 303 453 A S > - 0 0 11 57,-0.2 4,-2.3 56,-0.1 -1,-0.2 0.637 39.8-127.4 -66.6 174.9 16.7 5.6 16.1 304 454 A R H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.921 111.0 47.4 -57.8 -44.3 14.7 8.7 14.9 305 455 A Q H > S+ 0 0 9 55,-0.5 4,-2.2 2,-0.2 -299,-0.3 0.865 109.4 52.8 -65.9 -39.4 16.2 8.2 11.3 306 456 A F H > S+ 0 0 0 54,-0.3 4,-2.2 52,-0.3 -1,-0.2 0.915 111.6 47.0 -60.9 -43.6 15.4 4.5 11.4 307 457 A E H X S+ 0 0 11 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.902 110.7 51.7 -63.1 -46.4 11.7 5.4 12.3 308 458 A R H X S+ 0 0 77 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.926 114.2 43.2 -56.7 -48.0 11.5 8.1 9.5 309 459 A D H X S+ 0 0 2 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.841 109.6 56.6 -71.0 -35.8 12.7 5.7 6.9 310 460 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.920 113.1 41.4 -56.2 -47.9 10.5 2.8 8.1 311 461 A R H X S+ 0 0 25 -4,-2.1 4,-2.1 2,-0.2 11,-0.2 0.882 115.5 50.0 -69.9 -40.2 7.4 5.0 7.7 312 462 A R H X S+ 0 0 55 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.917 112.9 46.8 -64.3 -46.8 8.6 6.4 4.3 313 463 A Y H X>S+ 0 0 8 -4,-3.1 4,-2.6 2,-0.2 5,-1.0 0.933 110.9 52.8 -58.4 -50.3 9.4 2.8 3.0 314 464 A A H X5S+ 0 0 0 -4,-2.5 6,-2.8 -5,-0.2 4,-0.9 0.921 117.3 38.2 -53.4 -45.6 5.9 1.6 4.2 315 465 A T H X5S+ 0 0 71 -4,-2.1 4,-0.9 4,-0.3 -2,-0.2 0.963 125.3 33.1 -70.7 -58.6 4.1 4.5 2.4 316 466 A H H <5S+ 0 0 142 -4,-2.8 -3,-0.2 1,-0.1 -2,-0.2 0.800 130.7 29.1 -74.6 -35.6 6.2 4.8 -0.9 317 467 A E H <5S+ 0 0 78 -4,-2.6 -3,-0.2 -5,-0.4 -1,-0.1 0.788 134.1 23.5 -97.6 -30.4 7.1 1.1 -1.4 318 468 A R H <> -GH 320 334D 10 5,-2.9 4,-1.5 -2,-0.5 5,-1.2 -0.844 7.1-167.7 -97.5 109.6 -2.7 -1.8 4.3 330 480 A R T 45S+ 0 0 130 -11,-1.8 -1,-0.1 -2,-0.7 -10,-0.1 0.747 86.9 49.0 -69.1 -28.1 -4.3 0.6 1.8 331 481 A T T 45S+ 0 0 107 -12,-0.4 -1,-0.2 1,-0.1 -11,-0.1 0.942 120.3 34.2 -77.6 -50.7 -4.6 -2.1 -1.0 332 482 A K T 45S- 0 0 151 2,-0.2 -2,-0.2 1,-0.0 -1,-0.1 0.641 101.8-135.9 -77.8 -16.1 -6.1 -4.9 1.2 333 483 A R T <5 + 0 0 200 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.866 63.8 117.6 60.1 42.3 -8.1 -2.2 3.2 334 484 A V E < -H 329 0D 69 -5,-1.2 -5,-2.9 0, 0.0 2,-0.3 -0.988 68.9-119.8-138.6 147.6 -7.2 -3.9 6.5 335 485 A F E -H 328 0D 94 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.658 34.7-133.4 -79.3 137.3 -5.2 -3.2 9.7 336 486 A L E -H 327 0D 26 -9,-3.3 -9,-0.5 -2,-0.3 2,-0.2 -0.855 15.3-140.8-100.3 129.6 -2.4 -5.7 10.0 337 487 A E - 0 0 105 -2,-0.5 2,-0.3 -11,-0.1 -45,-0.1 -0.611 19.7-178.4 -86.9 149.9 -1.9 -7.4 13.5 338 488 A A - 0 0 4 -47,-0.4 -44,-0.5 -2,-0.2 -43,-0.2 -0.972 25.5-174.5-151.4 134.1 1.5 -8.1 15.1 339 489 A E S S+ 0 0 113 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.503 82.5 22.0 -99.7 -9.4 2.5 -9.8 18.3 340 490 A S S > S- 0 0 37 1,-0.1 4,-1.0 -47,-0.0 3,-0.2 -0.952 80.3-108.8-151.0 165.0 6.3 -8.9 17.7 341 491 A E H > S+ 0 0 4 -2,-0.3 4,-2.3 1,-0.2 3,-0.3 0.860 116.9 62.6 -64.5 -38.3 8.5 -6.5 15.8 342 492 A E H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.885 101.1 51.3 -53.8 -44.0 9.5 -9.5 13.6 343 493 A E H > S+ 0 0 89 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.841 108.2 52.3 -65.1 -33.1 5.9 -9.8 12.4 344 494 A I H X S+ 0 0 0 -4,-1.0 4,-1.6 -3,-0.3 -2,-0.2 0.953 111.1 46.5 -66.7 -48.8 5.8 -6.0 11.5 345 495 A F H <>S+ 0 0 2 -4,-2.3 5,-2.5 1,-0.2 4,-0.5 0.914 112.5 50.5 -58.4 -45.3 9.0 -6.3 9.4 346 496 A A H ><5S+ 0 0 74 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.897 107.9 52.4 -61.4 -42.3 7.5 -9.5 7.7 347 497 A H H 3<5S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.835 111.4 48.5 -57.6 -36.4 4.3 -7.5 6.9 348 498 A L T 3<5S- 0 0 0 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.463 114.9-117.0 -82.7 -7.4 6.5 -4.8 5.3 349 499 A G T < 5 + 0 0 50 -3,-1.2 2,-0.4 -4,-0.5 -3,-0.2 0.786 69.7 138.7 71.5 30.7 8.5 -7.3 3.2 350 500 A L < - 0 0 12 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.871 60.6-113.9-108.4 143.3 11.7 -6.3 5.1 351 501 A D - 0 0 126 -2,-0.4 2,-0.2 1,-0.1 -3,-0.0 -0.457 52.1 -95.1 -65.7 139.1 14.5 -8.5 6.5 352 502 A Y - 0 0 46 -2,-0.1 2,-0.5 -344,-0.0 -1,-0.1 -0.443 37.4-154.5 -64.6 131.0 14.4 -8.2 10.2 353 503 A I - 0 0 5 -2,-0.2 5,-0.1 -3,-0.1 -8,-0.1 -0.952 16.9-128.7-107.3 120.0 16.8 -5.6 11.6 354 504 A E > - 0 0 66 -2,-0.5 3,-2.2 1,-0.1 4,-0.1 -0.322 24.5-110.5 -63.3 151.2 18.0 -6.2 15.2 355 505 A P G > S+ 0 0 9 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.893 120.6 54.2 -53.7 -38.5 17.6 -3.3 17.7 356 506 A W G 3 S+ 0 0 136 1,-0.3 -343,-0.3 -169,-0.1 3,-0.2 0.531 104.6 57.5 -72.6 -5.1 21.4 -2.8 17.9 357 507 A E G < S+ 0 0 28 -3,-2.2 -346,-2.8 1,-0.2 -1,-0.3 0.225 87.4 78.8-105.3 9.4 21.4 -2.5 14.1 358 508 A R B < +a 11 0A 0 -3,-1.8 2,-1.2 -348,-0.2 -52,-0.3 0.069 51.4 119.2-106.0 24.9 18.9 0.4 14.1 359 509 A N 0 0 15 -348,-2.2 -1,-0.1 -3,-0.2 -56,-0.1 -0.170 360.0 360.0 -86.0 47.8 21.5 3.1 15.0 360 510 A A 0 0 14 -2,-1.2 -55,-0.5 -351,-0.1 -54,-0.3 -0.328 360.0 360.0 -70.0 360.0 20.8 5.0 11.7