==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-APR-13 4KAV . COMPND 2 MOLECULE: YHBX/YHJW/YIJP/YJDB FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR A.VRIELINK,C.WANTY . 334 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 33 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 3 1 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 0 0 2 0 1 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 . 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 1 210 A S 0 0 158 0, 0.0 4,-0.1 0, 0.0 93,-0.0 0.000 360.0 360.0 360.0 -11.4 21.5 -18.0 -17.0 2 211 A N + 0 0 135 2,-0.1 88,-0.0 1,-0.1 92,-0.0 0.707 360.0 16.4 -61.7 -28.0 19.4 -21.2 -16.4 3 212 A I S S- 0 0 45 87,-0.1 -1,-0.1 88,-0.0 0, 0.0 -0.975 104.7 -81.4-141.1 152.5 16.6 -19.8 -18.6 4 213 A P - 0 0 115 0, 0.0 2,-0.4 0, 0.0 90,-0.1 -0.278 48.8-115.1 -58.8 144.0 16.8 -17.0 -21.2 5 214 A Y - 0 0 90 -4,-0.1 2,-0.7 90,-0.1 90,-0.2 -0.654 24.7-145.0 -82.3 131.9 16.5 -13.5 -19.6 6 215 A T B -a 95 0A 66 88,-2.5 90,-2.0 -2,-0.4 2,-0.4 -0.867 4.3-156.9-102.0 113.1 13.4 -11.6 -20.6 7 216 A Q - 0 0 103 -2,-0.7 2,-0.4 88,-0.2 3,-0.2 -0.746 22.0-153.5 -77.0 133.2 13.7 -7.8 -21.0 8 217 A L + 0 0 33 -2,-0.4 4,-0.1 1,-0.2 89,-0.0 -0.881 61.7 9.3-113.0 148.7 10.2 -6.5 -20.5 9 218 A D > + 0 0 16 -2,-0.4 3,-1.5 1,-0.1 -1,-0.2 0.935 67.4 175.8 57.4 54.3 8.6 -3.3 -21.8 10 219 A X T 3 S+ 0 0 129 1,-0.3 -1,-0.1 -3,-0.2 308,-0.1 0.727 74.9 46.0 -67.6 -23.3 11.5 -2.5 -24.2 11 220 A A T 3 S+ 0 0 66 306,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.194 81.7 146.9-105.8 19.6 9.9 0.6 -25.7 12 221 A V < + 0 0 8 -3,-1.5 2,-0.3 -4,-0.1 305,-0.2 -0.224 16.9 165.3 -58.2 142.9 8.7 2.1 -22.5 13 222 A V E -B 316 0B 68 303,-1.8 303,-2.9 301,-0.1 2,-0.4 -0.905 39.3-101.4-143.5 167.1 8.5 5.9 -22.2 14 223 A Q E -B 315 0B 52 91,-0.5 301,-0.2 -2,-0.3 300,-0.1 -0.836 22.3-165.0 -89.2 139.3 7.0 8.5 -19.9 15 224 A N + 0 0 115 299,-2.9 3,-0.1 -2,-0.4 299,-0.1 -0.509 26.1 162.5-117.9 59.7 3.9 10.2 -21.2 16 225 A R - 0 0 32 1,-0.1 3,-0.1 -2,-0.1 4,-0.1 -0.424 50.1 -87.2 -74.0 151.6 3.7 13.1 -18.8 17 226 A P > - 0 0 78 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.248 58.4 -84.7 -57.7 149.6 1.6 16.0 -19.8 18 227 A A T 3 S+ 0 0 106 1,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.234 111.6 6.7 -52.7 133.8 3.3 18.6 -21.9 19 228 A G T 3 S+ 0 0 87 1,-0.2 -1,-0.3 -3,-0.1 0, 0.0 0.677 94.5 164.7 68.3 18.5 5.3 21.2 -20.0 20 229 A S < - 0 0 45 -3,-1.7 -1,-0.2 1,-0.1 3,-0.1 -0.205 37.6-108.0 -76.9 157.4 4.8 19.4 -16.7 21 230 A L - 0 0 62 1,-0.1 213,-0.1 258,-0.1 -1,-0.1 -0.303 49.1 -79.4 -68.4 163.0 6.6 19.9 -13.4 22 231 A R - 0 0 22 211,-0.5 213,-2.7 141,-0.1 2,-0.5 -0.366 40.4-143.9 -63.8 140.6 9.1 17.3 -12.1 23 232 A R E -c 235 0C 4 211,-0.2 141,-2.1 138,-0.1 2,-0.5 -0.948 16.0-173.0-112.5 127.2 7.5 14.3 -10.4 24 233 A F E -cd 236 164C 0 211,-2.6 213,-1.8 -2,-0.5 2,-0.5 -0.972 2.0-171.3-127.2 111.3 9.5 12.9 -7.4 25 234 A V E -cd 237 165C 0 139,-2.8 141,-2.9 -2,-0.5 2,-0.6 -0.918 6.6-161.6-110.5 125.1 8.3 9.6 -5.8 26 235 A V E -cd 238 166C 0 211,-3.0 213,-2.8 -2,-0.5 2,-0.7 -0.930 2.2-164.7-104.3 121.2 9.6 8.3 -2.6 27 236 A L E -cd 239 167C 1 139,-2.8 141,-2.6 -2,-0.6 2,-0.7 -0.924 4.0-163.8-104.4 106.2 9.0 4.6 -1.9 28 237 A V E -cd 240 168C 1 211,-3.2 213,-1.8 -2,-0.7 2,-0.8 -0.837 5.3-159.3 -89.4 113.1 9.7 3.8 1.8 29 238 A V E -cd 241 169C 0 139,-2.4 141,-2.2 -2,-0.7 213,-0.2 -0.891 15.8-156.4 -96.5 107.9 10.1 0.1 2.0 30 239 A G E -c 242 0C 0 211,-2.9 213,-0.6 -2,-0.8 2,-0.4 -0.110 3.9-138.1 -78.0-179.8 9.4 -0.8 5.6 31 240 A E - 0 0 1 211,-0.2 142,-2.9 212,-0.1 2,-0.7 -0.970 66.0 -23.5-149.2 121.9 10.5 -3.8 7.6 32 241 A T S S+ 0 0 0 -2,-0.4 2,-0.1 212,-0.2 140,-0.1 0.144 84.2 136.6 68.4 -19.7 8.6 -5.9 10.2 33 242 A T - 0 0 0 -2,-0.7 2,-0.3 212,-0.1 211,-0.2 -0.387 41.2-150.8 -63.7 129.0 6.0 -3.3 11.1 34 243 A R > - 0 0 18 236,-0.2 3,-1.5 -2,-0.1 236,-0.3 -0.784 20.3-125.3-112.4 150.7 2.6 -4.8 11.4 35 244 A A G > S+ 0 0 1 234,-2.4 3,-1.6 -2,-0.3 6,-0.2 0.806 103.8 65.6 -56.1 -36.8 -0.9 -3.4 10.8 36 245 A A G 3 S+ 0 0 55 233,-0.5 -1,-0.3 1,-0.3 234,-0.1 0.626 106.0 42.9 -69.6 -13.5 -2.3 -4.4 14.2 37 246 A N G < S+ 0 0 4 -3,-1.5 2,-0.6 6,-0.1 -1,-0.3 0.071 87.1 112.9-115.7 21.8 0.1 -2.0 16.0 38 247 A W X > - 0 0 0 -3,-1.6 3,-1.7 1,-0.1 5,-1.2 -0.855 61.0-145.9-100.5 119.2 -0.4 0.9 13.6 39 248 A G G > 5S+ 0 0 7 -2,-0.6 3,-2.1 1,-0.3 -1,-0.1 0.848 95.4 59.0 -58.1 -38.8 -2.2 3.8 15.2 40 249 A L G 3 5S+ 0 0 46 1,-0.3 -1,-0.3 2,-0.1 20,-0.1 0.727 99.9 59.9 -64.1 -21.5 -4.1 4.9 12.1 41 250 A N G < 5S- 0 0 46 -3,-1.7 -1,-0.3 -6,-0.2 -2,-0.2 0.395 128.2 -94.2 -84.1 0.0 -5.7 1.5 12.0 42 251 A G T < 5 + 0 0 64 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.617 63.2 166.3 99.7 11.3 -7.2 2.0 15.4 43 252 A Y < - 0 0 53 -5,-1.2 -1,-0.2 -8,-0.2 -6,-0.1 -0.353 48.1-117.8 -53.6 143.9 -4.6 0.3 17.6 44 253 A S S S+ 0 0 116 2,-0.1 2,-0.4 3,-0.0 -1,-0.1 0.769 100.5 62.2 -64.5 -23.6 -5.4 1.3 21.2 45 254 A R S S- 0 0 71 1,-0.0 2,-1.7 2,-0.0 -2,-0.1 -0.849 90.1-124.8 -98.9 138.6 -2.0 3.1 21.4 46 255 A Q + 0 0 85 -2,-0.4 -2,-0.1 1,-0.2 -8,-0.1 -0.623 43.0 160.7 -82.2 87.2 -1.3 6.0 19.1 47 256 A T S S+ 0 0 0 -2,-1.7 171,-0.4 1,-0.2 -1,-0.2 0.444 72.2 49.7 -84.7 -4.3 1.9 4.7 17.6 48 257 A T > + 0 0 0 1,-0.1 4,-2.5 -3,-0.1 -1,-0.2 -0.383 64.6 147.8-128.8 56.4 1.5 7.1 14.6 49 258 A P H > S+ 0 0 54 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.827 71.7 49.9 -67.1 -32.9 0.9 10.5 16.3 50 259 A L H > S+ 0 0 61 2,-0.2 4,-1.2 1,-0.2 -2,-0.1 0.902 114.4 44.6 -74.3 -40.2 2.6 12.7 13.7 51 260 A L H 4 S+ 0 0 1 2,-0.2 4,-0.5 1,-0.2 7,-0.2 0.885 112.9 52.2 -66.7 -40.3 0.7 11.0 10.8 52 261 A A H >< S+ 0 0 34 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.914 106.2 53.6 -60.7 -43.0 -2.5 11.2 12.7 53 262 A A H 3< S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.779 98.7 63.6 -63.5 -28.6 -2.1 14.9 13.4 54 263 A R T >< S+ 0 0 40 -4,-1.2 3,-1.2 1,-0.2 -1,-0.3 0.656 89.0 179.9 -70.5 -16.4 -1.7 15.5 9.6 55 264 A G G X + 0 0 38 -3,-1.5 3,-2.0 -4,-0.5 -1,-0.2 -0.210 54.0 14.0 64.1-130.7 -5.2 14.3 9.3 56 265 A D G 3 S+ 0 0 84 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.752 114.2 70.7 -61.0 -27.9 -6.9 14.1 5.9 57 266 A E G < S+ 0 0 55 -3,-1.2 2,-0.6 2,-0.1 219,-0.5 0.638 85.9 76.0 -70.5 -12.0 -3.7 14.5 3.9 58 267 A I E < S-E 275 0C 7 -3,-2.0 2,-0.7 -7,-0.2 217,-0.2 -0.889 72.7-151.8 -98.4 123.2 -2.5 11.0 4.9 59 268 A V E -E 274 0C 1 215,-2.9 215,-2.1 -2,-0.6 2,-0.4 -0.851 16.2-165.8 -92.5 115.8 -4.2 8.2 3.0 60 269 A N E -E 273 0C 29 -2,-0.7 213,-0.2 213,-0.2 -2,-0.0 -0.861 11.8-151.2-105.4 142.6 -4.2 5.1 5.3 61 270 A F - 0 0 0 211,-2.2 211,-0.3 -2,-0.4 3,-0.2 -0.896 8.8-173.4-115.2 101.2 -5.0 1.6 4.0 62 271 A P S S+ 0 0 36 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.584 74.5 51.5 -75.7 -9.3 -6.5 -0.6 6.8 63 272 A Q + 0 0 82 232,-0.4 237,-2.9 235,-0.4 2,-0.4 -0.760 68.6 138.9-130.8 89.1 -6.5 -3.9 4.8 64 273 A V E -i 300 0D 0 206,-0.4 206,-1.9 -2,-0.4 2,-0.4 -0.993 29.4-160.4-131.0 136.0 -3.2 -4.7 3.2 65 274 A R E -iJ 301 269D 80 235,-1.8 237,-1.5 -2,-0.4 238,-0.2 -0.901 16.6-124.5-118.4 143.8 -1.5 -8.2 2.9 66 275 A S - 0 0 2 202,-2.2 178,-0.1 -2,-0.4 177,-0.1 -0.419 9.9-133.0 -79.8 159.6 2.1 -9.0 2.3 67 276 A a S S- 0 0 3 176,-0.3 2,-0.2 -2,-0.1 -1,-0.1 0.844 87.7 -2.1 -67.4 -43.3 3.5 -11.3 -0.5 68 277 A G - 0 0 3 175,-0.6 -2,-0.1 199,-0.1 -1,-0.1 -0.735 63.4-118.0-143.8-179.3 5.8 -13.0 2.0 69 278 A T S S+ 0 0 11 -2,-0.2 188,-2.2 175,-0.1 2,-0.3 0.179 95.7 43.0-118.2 16.5 6.9 -13.2 5.6 70 279 A S S >> S- 0 0 33 173,-0.2 4,-2.7 186,-0.1 3,-0.9 -0.974 84.9-113.9-152.2 156.6 10.6 -12.4 5.0 71 280 A X H 3> S+ 0 0 19 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.884 111.6 67.3 -58.9 -39.4 12.5 -9.9 2.8 72 281 A A H 34 S+ 0 0 59 1,-0.2 -1,-0.2 2,-0.2 5,-0.0 0.822 116.8 24.7 -55.3 -29.9 13.9 -12.7 0.7 73 282 A H H <> S+ 0 0 48 -3,-0.9 4,-1.9 3,-0.1 5,-0.2 0.850 122.7 50.3 -95.6 -50.4 10.4 -13.4 -0.6 74 283 A S H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.889 107.8 50.3 -61.1 -46.2 8.5 -10.1 -0.2 75 284 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.960 112.9 42.8 -62.8 -52.9 11.0 -7.8 -1.9 76 285 A P H 4 S+ 0 0 25 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.905 118.1 47.5 -61.6 -36.4 11.5 -9.7 -5.2 77 286 A a H >< S+ 0 0 2 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.925 110.6 49.6 -72.1 -41.3 7.8 -10.5 -5.5 78 287 A X H 3< S+ 0 0 1 -4,-2.6 228,-0.2 1,-0.3 -1,-0.2 0.833 113.6 46.8 -69.0 -26.3 6.6 -6.9 -4.8 79 288 A F T 3< S+ 0 0 0 -4,-1.9 19,-2.8 -5,-0.2 -1,-0.3 0.380 105.5 82.7 -92.2 5.1 9.0 -5.5 -7.4 80 289 A S S < S- 0 0 8 -3,-1.3 226,-0.3 2,-0.2 17,-0.1 -0.690 86.3-118.6-107.2 163.2 8.0 -8.2 -9.9 81 290 A T S S+ 0 0 36 15,-0.3 2,-0.1 -2,-0.2 -1,-0.1 0.663 87.4 96.9 -65.8 -21.6 5.1 -8.5 -12.4 82 291 A F - 0 0 33 6,-0.1 -2,-0.2 -5,-0.1 2,-0.2 -0.410 68.6-136.2 -76.0 151.3 4.0 -11.7 -10.5 83 292 A D >> - 0 0 24 -2,-0.1 3,-1.2 1,-0.1 4,-0.8 -0.594 32.8-101.9 -94.9 164.1 1.3 -11.8 -7.8 84 293 A R G >4 S+ 0 0 103 1,-0.3 3,-1.0 -2,-0.2 -1,-0.1 0.907 119.9 52.2 -51.8 -46.2 1.8 -13.8 -4.6 85 294 A T G 34 S+ 0 0 114 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.634 120.6 31.3 -76.7 -12.6 -0.4 -16.7 -5.8 86 295 A D G <4 S+ 0 0 90 -3,-1.2 -1,-0.3 2,-0.0 -2,-0.2 0.258 82.9 144.8-121.9 18.0 1.5 -17.2 -9.1 87 296 A Y << - 0 0 41 -3,-1.0 2,-0.5 -4,-0.8 3,-0.1 -0.283 28.4-169.0 -62.1 130.2 5.0 -16.1 -8.0 88 297 A D > - 0 0 70 1,-0.1 4,-2.9 -11,-0.0 5,-0.2 -0.962 8.6-159.9-123.4 106.6 7.7 -18.1 -9.8 89 298 A E H > S+ 0 0 120 -2,-0.5 4,-1.7 1,-0.2 -1,-0.1 0.865 91.0 46.3 -57.6 -39.7 11.0 -17.3 -8.1 90 299 A I H > S+ 0 0 85 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.921 113.5 46.6 -72.4 -44.5 13.0 -18.5 -11.1 91 300 A K H >4 S+ 0 0 98 1,-0.2 3,-0.8 2,-0.2 -85,-0.2 0.925 112.5 51.0 -63.6 -42.4 11.0 -16.7 -13.7 92 301 A A H >< S+ 0 0 16 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.872 107.7 53.1 -63.9 -35.2 11.1 -13.5 -11.6 93 302 A E H 3< S+ 0 0 135 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.691 108.1 52.1 -71.7 -19.1 14.9 -13.7 -11.2 94 303 A H T << S+ 0 0 26 -4,-0.9 -88,-2.5 -3,-0.8 2,-0.3 -0.083 105.2 59.0-114.7 32.3 15.3 -14.0 -15.0 95 304 A Q B < S-a 6 0A 20 -3,-1.0 -88,-0.2 -90,-0.2 -90,-0.1 -0.985 92.1 -79.0-150.9 162.1 13.3 -11.0 -16.1 96 305 A D - 0 0 6 -90,-2.0 -15,-0.3 -2,-0.3 2,-0.1 -0.306 44.0-149.3 -57.4 138.4 13.2 -7.2 -15.7 97 306 A N > - 0 0 21 24,-0.1 4,-2.0 -17,-0.1 3,-0.2 -0.417 35.7 -83.3 -99.2-178.5 11.7 -5.9 -12.5 98 307 A L H > S+ 0 0 0 -19,-2.8 4,-2.5 1,-0.2 5,-0.2 0.860 127.6 48.9 -52.5 -42.4 9.8 -2.7 -11.8 99 308 A L H > S+ 0 0 0 -20,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.872 107.5 54.3 -73.7 -34.6 13.0 -0.7 -11.3 100 309 A D H > S+ 0 0 13 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 113.0 44.3 -59.2 -44.1 14.6 -1.9 -14.5 101 310 A I H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.945 112.8 49.7 -70.0 -44.9 11.5 -0.8 -16.4 102 311 A V H <>S+ 0 0 1 -4,-2.5 5,-1.7 1,-0.2 -2,-0.2 0.907 111.8 49.3 -63.4 -41.6 11.1 2.5 -14.7 103 312 A Q H ><5S+ 0 0 69 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.906 106.9 54.9 -62.7 -40.0 14.8 3.3 -15.4 104 313 A R H 3<5S+ 0 0 82 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.856 99.9 62.1 -62.6 -31.8 14.5 2.4 -19.0 105 314 A A T 3<5S- 0 0 12 -4,-1.7 -91,-0.5 -92,-0.1 -1,-0.3 0.503 127.4 -98.6 -71.7 -5.3 11.6 4.9 -19.3 106 315 A G T < 5S+ 0 0 29 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.577 77.3 139.9 100.1 11.3 14.1 7.6 -18.4 107 316 A V < - 0 0 4 -5,-1.7 2,-0.8 55,-0.1 -1,-0.3 -0.658 57.1-119.3 -87.4 140.4 13.3 8.0 -14.7 108 317 A E E -f 164 0C 32 55,-2.8 57,-2.3 -2,-0.3 2,-0.5 -0.723 35.4-169.0 -80.6 111.6 16.1 8.5 -12.3 109 318 A V E +f 165 0C 0 -2,-0.8 2,-0.4 55,-0.2 57,-0.2 -0.878 9.6 175.0-107.6 130.7 16.0 5.6 -9.9 110 319 A T E -f 166 0C 13 55,-2.3 57,-2.9 -2,-0.5 2,-0.5 -0.999 14.3-158.7-135.9 136.3 18.0 5.5 -6.7 111 320 A W E -fg 167 127C 0 15,-2.3 17,-2.1 -2,-0.4 2,-0.6 -0.957 3.0-167.7-118.4 116.9 18.0 2.9 -3.9 112 321 A L E -fg 168 128C 6 55,-3.0 57,-2.8 -2,-0.5 2,-0.5 -0.927 15.5-155.1-106.3 122.9 19.3 3.8 -0.4 113 322 A E E +fg 169 129C 13 15,-3.0 17,-1.8 -2,-0.6 18,-1.1 -0.795 36.2 148.5-109.0 127.9 19.7 0.7 1.7 114 323 A N + 0 0 2 55,-2.1 30,-0.3 -2,-0.5 57,-0.2 0.091 64.6 73.7-135.7 24.4 19.7 0.5 5.5 115 324 A D S S- 0 0 9 55,-0.1 55,-0.1 28,-0.1 28,-0.0 -0.141 110.2 -91.8-135.7 36.8 18.3 -3.0 6.0 116 325 A S S S- 0 0 119 -3,-0.1 2,-0.2 2,-0.0 3,-0.1 0.374 93.1 -7.3 73.6 -6.7 21.1 -5.5 5.1 117 326 A G - 0 0 20 52,-0.1 -3,-0.1 1,-0.1 12,-0.0 -0.563 47.7-125.6 153.0 149.3 20.2 -5.9 1.4 118 327 A b > - 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0 0 58 -4,-2.4 2,-0.4 -5,-0.2 -235,-0.4 -0.571 69.4-127.3 -98.7 157.7 -10.9 -2.3 -0.5 299 508 A E + 0 0 109 -2,-0.2 2,-0.2 -237,-0.1 -235,-0.2 -0.872 32.9 179.5 -98.5 132.1 -8.4 -5.0 0.3 300 509 A Y E -i 64 0D 13 -237,-2.9 -235,-1.8 -2,-0.4 2,-0.3 -0.748 7.7-178.8-125.3 172.4 -4.9 -4.5 -1.2 301 510 A S E > -i 65 0D 21 -237,-0.3 3,-1.8 -2,-0.2 4,-0.2 -0.923 52.4 -78.4-155.6 178.9 -1.6 -6.4 -1.2 302 511 A H G >> S+ 0 0 3 -237,-1.5 3,-1.7 -2,-0.3 4,-0.5 0.722 117.2 78.7 -57.4 -19.4 1.9 -6.2 -2.4 303 512 A D G 34 S+ 0 0 27 1,-0.3 4,-0.5 -238,-0.2 -1,-0.3 0.776 89.1 55.9 -59.9 -25.9 0.4 -7.3 -5.7 304 513 A H G <> S+ 0 0 26 -3,-1.8 4,-1.7 1,-0.2 23,-0.4 0.571 87.2 82.1 -79.9 -10.3 -0.7 -3.7 -6.2 305 514 A Y H <> S+ 0 0 9 -3,-1.7 4,-2.3 -4,-0.2 5,-0.2 0.937 84.7 52.9 -64.8 -47.9 2.8 -2.3 -5.8 306 515 A F H X S+ 0 0 9 -4,-0.5 4,-2.0 -226,-0.3 -1,-0.2 0.942 115.9 36.9 -59.9 -51.6 4.1 -2.8 -9.4 307 516 A S H > S+ 0 0 2 -4,-0.5 4,-2.4 18,-0.3 -1,-0.2 0.812 111.6 59.5 -75.6 -27.1 1.3 -1.2 -11.3 308 517 A T H X S+ 0 0 3 -4,-1.7 4,-1.8 17,-0.5 -1,-0.2 0.942 108.7 45.4 -65.2 -43.2 0.8 1.6 -8.8 309 518 A V H X S+ 0 0 4 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.940 111.5 51.4 -66.0 -45.1 4.4 2.7 -9.2 310 519 A L H ><>S+ 0 0 0 -4,-2.0 5,-1.8 1,-0.2 3,-1.1 0.930 109.4 52.2 -56.3 -41.5 4.2 2.5 -13.0 311 520 A G H ><5S+ 0 0 6 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.873 103.5 57.0 -64.2 -35.1 1.1 4.7 -12.9 312 521 A L H 3<5S+ 0 0 2 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.699 106.8 49.2 -69.7 -18.2 2.8 7.3 -10.8 313 522 A X T <<5S- 0 0 0 -3,-1.1 -1,-0.2 -4,-0.9 -298,-0.2 0.380 109.0-122.2 -99.5 5.9 5.5 7.7 -13.4 314 523 A D T < 5 - 0 0 40 -3,-1.2 -299,-2.9 -4,-0.3 2,-0.2 0.876 44.5-173.3 53.0 40.7 2.9 8.1 -16.3 315 524 A I E < -B 14 0B 22 -5,-1.8 2,-0.3 -301,-0.2 -301,-0.2 -0.462 4.8-175.8 -70.4 132.7 4.6 5.1 -17.9 316 525 A S E +B 13 0B 39 -303,-2.9 -303,-1.8 -2,-0.2 3,-0.1 -0.815 58.0 42.7-127.4 169.1 3.4 4.3 -21.5 317 526 A N S S+ 0 0 99 -2,-0.3 2,-0.6 1,-0.2 -306,-0.3 0.885 82.3 144.8 55.0 39.0 4.1 1.5 -24.0 318 527 A S + 0 0 18 -3,-0.2 -1,-0.2 1,-0.1 -310,-0.0 -0.948 35.0 178.9-109.5 119.5 4.0 -0.8 -21.1 319 528 A Q S S+ 0 0 184 -2,-0.6 -1,-0.1 1,-0.1 -2,-0.0 0.505 82.7 62.1 -90.0 -6.8 2.5 -4.3 -21.5 320 529 A T S S+ 0 0 20 -14,-0.0 2,-0.2 2,-0.0 -1,-0.1 0.698 78.5 105.3 -87.6 -20.6 3.2 -5.1 -17.9 321 530 A Y - 0 0 72 -15,-0.1 2,-0.6 1,-0.1 5,-0.1 -0.391 51.4-166.0 -66.6 128.0 0.9 -2.4 -16.5 322 531 A R > - 0 0 71 -2,-0.2 3,-2.0 1,-0.1 -15,-0.1 -0.938 9.6-160.0-117.2 108.1 -2.4 -3.7 -15.1 323 532 A K G > S+ 0 0 140 -2,-0.6 3,-1.8 1,-0.3 6,-0.3 0.866 92.3 57.6 -55.0 -37.6 -4.9 -0.9 -14.5 324 533 A E G 3 S+ 0 0 135 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.657 107.0 49.4 -70.4 -14.9 -6.9 -3.1 -12.0 325 534 A X G < S+ 0 0 26 -3,-2.0 2,-0.6 -22,-0.0 -17,-0.5 0.103 87.2 97.4-110.9 18.0 -3.8 -3.4 -9.9 326 535 A D X> - 0 0 7 -3,-1.8 3,-1.1 -19,-0.2 4,-0.5 -0.949 65.2-152.4-104.1 111.3 -3.0 0.3 -9.8 327 536 A I T 34 S+ 0 0 8 -2,-0.6 3,-0.3 -23,-0.4 -1,-0.1 0.860 93.7 42.9 -53.4 -36.3 -4.4 1.7 -6.5 328 537 A L T >> S+ 0 0 0 1,-0.2 3,-1.8 2,-0.1 4,-0.6 0.636 88.5 89.1 -88.2 -14.3 -4.9 5.1 -8.1 329 538 A A G X4 S+ 0 0 8 -3,-1.1 3,-1.0 1,-0.3 -1,-0.2 0.853 84.8 52.6 -58.6 -39.4 -6.3 4.2 -11.4 330 539 A A G 3< S+ 0 0 76 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.614 115.3 44.2 -71.5 -9.7 -10.0 4.2 -10.4 331 540 A e G <4 S+ 0 0 9 -3,-1.8 -44,-2.2 -4,-0.1 2,-0.4 0.426 92.9 104.6-108.1 -2.8 -9.4 7.7 -9.0 332 541 A R B << S-M 286 0G 55 -3,-1.0 -46,-0.2 -4,-0.6 -47,-0.1 -0.661 73.6-118.7 -94.5 131.2 -7.4 9.1 -12.0 333 542 A R 0 0 202 -48,-2.9 -1,-0.1 -2,-0.4 -2,-0.1 -0.375 360.0 360.0 -63.5 137.3 -8.9 11.5 -14.5 334 543 A P 0 0 168 0, 0.0 -1,-0.1 0, 0.0 -49,-0.0 -0.263 360.0 360.0 -64.3 360.0 -8.9 10.0 -18.0