==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/LIGASE INHIBITOR 08-NOV-12 4HWP . COMPND 2 MOLECULE: THREONINE--TRNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.T.HILGERS . 807 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 602 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 18.0 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 . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 65 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.6 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 2 2 3 3 2 0 2 1 1 4 0 0 0 3 0 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 3 2 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 . 6 4 2 5 5 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 6 0 2 0 0 2 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 1 242 A R 0 0 141 0, 0.0 288,-0.2 0, 0.0 231,-0.1 0.000 360.0 360.0 360.0 138.9 -35.3 -48.9 27.0 2 243 A D >> - 0 0 20 1,-0.1 4,-2.0 229,-0.1 3,-0.7 -0.215 360.0-131.4 -65.3 139.5 -34.2 -46.7 24.1 3 244 A H H 3> S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.757 106.8 62.1 -61.4 -24.1 -33.2 -43.0 24.6 4 245 A R H 3> S+ 0 0 117 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.890 106.5 44.2 -71.4 -37.0 -35.5 -42.1 21.7 5 246 A K H <> S+ 0 0 121 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.907 116.3 45.5 -69.8 -43.1 -38.6 -43.4 23.5 6 247 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.904 108.1 59.2 -70.3 -36.8 -37.6 -41.7 26.7 7 248 A G H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 6,-0.5 0.876 109.8 43.0 -55.4 -42.2 -36.7 -38.5 24.8 8 249 A K H ><5S+ 0 0 171 -4,-1.5 3,-1.5 3,-0.2 -1,-0.2 0.944 111.4 54.9 -70.6 -45.5 -40.3 -38.4 23.6 9 250 A Q H 3<5S+ 0 0 49 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.827 116.6 36.5 -53.1 -37.7 -41.7 -39.3 27.0 10 251 A L T 3<5S- 0 0 5 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.292 108.1-122.4-103.0 7.1 -39.8 -36.4 28.7 11 252 A D T < 5 + 0 0 64 -3,-1.5 18,-0.6 -4,-0.2 17,-0.5 0.896 62.6 144.9 54.2 46.1 -40.3 -34.0 25.8 12 253 A L < - 0 0 1 -5,-2.7 14,-1.6 1,-0.3 17,-0.6 0.891 62.9 -34.9 -81.2 -40.6 -36.5 -33.6 25.5 13 254 A Y E -A 25 0A 19 -6,-0.5 2,-0.3 12,-0.3 -1,-0.3 -0.965 51.2-149.3-166.6 167.7 -36.1 -33.2 21.7 14 255 A H E -A 24 0A 15 10,-1.9 10,-2.5 -2,-0.3 2,-0.3 -0.968 5.7-146.5-147.5 170.1 -37.4 -34.3 18.3 15 256 A M - 0 0 70 -2,-0.3 2,-0.3 8,-0.2 8,-0.1 -0.943 11.9-166.2-132.2 152.2 -36.1 -34.9 14.8 16 257 A Q > - 0 0 26 6,-0.4 3,-1.5 3,-0.4 6,-0.3 -0.959 34.9-115.2-131.8 160.7 -37.9 -34.4 11.5 17 258 A E T 3 S+ 0 0 140 -2,-0.3 -1,-0.0 1,-0.3 452,-0.0 0.727 108.8 74.0 -65.9 -22.5 -37.2 -35.5 7.9 18 259 A E T 3 S+ 0 0 56 1,-0.3 451,-3.0 450,-0.1 -1,-0.3 0.662 113.0 25.3 -62.5 -14.0 -36.7 -31.8 6.9 19 260 A A S X S- 0 0 0 -3,-1.5 3,-1.9 449,-0.2 -3,-0.4 -0.460 85.3-154.8-150.8 72.9 -33.4 -32.0 8.8 20 261 A P T 3 S+ 0 0 13 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.196 80.8 1.7 -58.1 133.1 -32.0 -35.5 8.9 21 262 A G T 3 S+ 0 0 7 1,-0.2 115,-2.8 114,-0.1 116,-2.0 0.700 101.0 119.4 66.3 19.3 -29.6 -36.0 11.9 22 263 A M < - 0 0 7 -3,-1.9 -6,-0.4 -6,-0.3 2,-0.3 -0.971 59.1-135.4-116.5 125.8 -30.2 -32.4 13.2 23 264 A V - 0 0 10 -2,-0.5 2,-0.8 114,-0.4 -8,-0.2 -0.619 7.8-152.6 -89.7 139.6 -31.6 -32.2 16.7 24 265 A F E -A 14 0A 0 -10,-2.5 -10,-1.9 -2,-0.3 2,-0.7 -0.935 21.4-151.9 -99.6 108.0 -34.4 -29.9 17.7 25 266 A W E -AB 13 463A 7 438,-3.0 438,-1.8 -2,-0.8 -12,-0.3 -0.720 6.7-153.2 -84.8 116.6 -33.8 -29.4 21.5 26 267 A H > - 0 0 9 -14,-1.6 4,-2.9 -2,-0.7 5,-0.3 -0.286 37.0 -90.6 -76.3 174.2 -37.0 -28.6 23.4 27 268 A N H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -15,-0.1 0.918 125.0 46.5 -54.4 -47.3 -36.8 -26.6 26.6 28 269 A D H > S+ 0 0 23 -17,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.873 114.7 44.6 -71.2 -36.1 -36.4 -29.7 28.8 29 270 A G H > S+ 0 0 0 -17,-0.6 4,-2.3 -18,-0.6 -1,-0.2 0.894 112.0 54.0 -71.9 -36.8 -33.7 -31.4 26.8 30 271 A W H X S+ 0 0 16 -4,-2.9 4,-3.2 -18,-0.3 -2,-0.2 0.865 102.1 59.0 -64.7 -32.3 -31.9 -28.1 26.4 31 272 A T H X S+ 0 0 6 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.924 108.0 45.5 -58.8 -46.2 -31.9 -27.7 30.2 32 273 A I H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.959 113.2 49.5 -62.3 -49.8 -29.9 -31.0 30.4 33 274 A F H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.921 112.8 48.2 -53.5 -49.0 -27.5 -29.9 27.6 34 275 A R H X S+ 0 0 51 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.888 109.4 51.6 -63.2 -40.3 -27.0 -26.5 29.4 35 276 A E H X S+ 0 0 39 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.872 108.0 52.4 -64.9 -37.6 -26.3 -28.1 32.8 36 277 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.889 107.8 51.9 -62.6 -41.0 -23.8 -30.4 31.2 37 278 A E H X S+ 0 0 22 -4,-2.0 4,-3.3 2,-0.2 -2,-0.2 0.941 108.8 50.4 -57.3 -45.5 -22.1 -27.3 29.8 38 279 A V H X S+ 0 0 67 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.912 111.5 49.3 -57.4 -43.4 -22.0 -25.7 33.3 39 280 A F H X S+ 0 0 4 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.954 112.0 46.3 -62.0 -50.7 -20.4 -28.9 34.6 40 281 A V H >X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 3,-0.6 0.942 110.7 54.0 -58.2 -48.9 -17.8 -29.1 32.0 41 282 A R H 3X S+ 0 0 51 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.873 102.1 57.8 -53.5 -38.4 -17.0 -25.4 32.5 42 283 A S H 3X S+ 0 0 46 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.872 111.8 42.7 -58.3 -37.1 -16.5 -26.0 36.2 43 284 A K H S+ 0 0 9 -4,-2.5 5,-2.3 2,-0.2 4,-0.3 0.917 110.5 48.3 -56.6 -43.0 -12.3 -26.2 32.5 45 286 A K H ><5S+ 0 0 111 -4,-2.4 3,-1.4 -5,-0.2 -2,-0.2 0.966 113.5 43.9 -61.0 -51.8 -11.9 -23.6 35.2 46 287 A E H 3<5S+ 0 0 119 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.893 116.7 46.8 -65.8 -41.4 -10.3 -26.0 37.7 47 288 A Y T 3<5S- 0 0 40 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.294 115.6-113.8 -86.3 5.3 -8.0 -27.6 35.0 48 289 A Q T < 5 + 0 0 151 -3,-1.4 2,-0.4 -4,-0.3 65,-0.4 0.942 56.4 158.1 67.0 54.5 -6.9 -24.1 33.6 49 290 A Y < - 0 0 25 -5,-2.3 65,-0.2 63,-0.1 -1,-0.2 -0.904 37.5-133.3-105.6 140.4 -8.4 -24.1 30.1 50 291 A Q E -c 114 0B 64 63,-3.4 65,-2.6 -2,-0.4 2,-0.4 -0.449 20.6-143.1 -71.2 158.5 -9.2 -21.1 27.9 51 292 A E E +c 115 0B 8 63,-0.2 65,-0.2 -2,-0.1 2,-0.2 -0.986 28.7 163.8-129.3 126.4 -12.6 -21.3 26.3 52 293 A V - 0 0 0 63,-2.8 65,-0.4 -2,-0.4 2,-0.3 -0.618 30.2-133.6-124.8 179.2 -13.0 -20.0 22.7 53 294 A K B -J 435 0C 48 382,-2.0 382,-2.5 -2,-0.2 63,-0.1 -0.915 15.9-163.9-142.7 122.4 -15.4 -20.1 19.8 54 295 A G - 0 0 6 -2,-0.3 380,-0.2 380,-0.2 379,-0.1 -0.682 33.3 -94.9 -96.3 159.9 -14.3 -20.7 16.2 55 296 A P - 0 0 11 0, 0.0 34,-0.1 0, 0.0 -1,-0.1 -0.239 25.0-120.3 -75.6 160.8 -16.5 -20.0 13.2 56 297 A F S S+ 0 0 23 1,-0.1 33,-3.2 32,-0.1 2,-0.4 0.840 91.8 33.7 -69.4 -37.1 -18.8 -22.5 11.5 57 298 A M E +L 88 0D 0 31,-0.2 2,-0.3 372,-0.1 31,-0.2 -0.952 56.2 170.8-133.2 150.9 -17.1 -22.2 8.2 58 299 A M E -L 87 0D 4 29,-1.4 29,-2.6 -2,-0.4 371,-0.2 -0.962 48.0 -70.3-146.5 154.4 -13.7 -21.5 6.6 59 300 A D E >> -L 86 0D 18 369,-3.3 4,-1.3 -2,-0.3 3,-1.0 -0.102 34.9-128.5 -46.4 136.0 -12.3 -21.6 3.1 60 301 A R H 3> S+ 0 0 69 25,-2.9 4,-2.0 1,-0.2 5,-0.2 0.807 107.9 70.3 -53.5 -31.4 -11.8 -25.0 1.5 61 302 A V H 3> S+ 0 0 80 24,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.914 98.7 47.7 -53.7 -43.1 -8.3 -23.9 0.8 62 303 A L H <> S+ 0 0 2 -3,-1.0 4,-1.1 1,-0.2 -1,-0.2 0.927 110.5 50.9 -64.5 -45.3 -7.5 -24.1 4.5 63 304 A W H <>S+ 0 0 0 -4,-1.3 6,-1.4 1,-0.2 5,-0.9 0.760 106.3 56.0 -64.3 -28.8 -9.1 -27.6 4.8 64 305 A E H ><5S+ 0 0 83 -4,-2.0 3,-1.0 4,-0.2 6,-0.2 0.886 102.1 56.5 -66.6 -40.0 -7.0 -28.7 1.9 65 306 A K H 3<5S+ 0 0 97 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.796 104.0 54.1 -58.3 -32.3 -3.9 -27.7 3.8 66 307 A T T 3<5S- 0 0 0 -4,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.689 113.5-110.9 -79.1 -14.1 -4.7 -29.9 6.8 67 308 A G T <>5S+ 0 0 0 -3,-1.0 4,-2.2 -4,-0.4 -3,-0.1 0.367 89.3 116.3 84.4 -0.8 -5.1 -33.1 4.9 68 309 A H H >< + 0 0 0 -5,-0.9 4,-1.8 2,-0.2 -4,-0.2 0.860 70.0 56.2 -64.4 -36.6 -9.0 -33.0 5.6 69 310 A W H > S+ 0 0 39 -6,-1.4 4,-0.7 2,-0.2 3,-0.2 0.964 115.1 35.6 -63.2 -50.2 -9.8 -32.7 1.9 70 311 A D H 4 S+ 0 0 121 -6,-0.2 3,-0.3 1,-0.2 -2,-0.2 0.950 131.1 31.7 -59.3 -48.3 -8.0 -35.8 0.9 71 312 A N H < S+ 0 0 47 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.384 130.9 27.6 -99.3 -1.5 -8.8 -37.8 4.1 72 313 A Y H >X S+ 0 0 55 -4,-1.8 3,-0.8 -3,-0.2 4,-0.5 0.166 76.5 122.1-151.1 14.4 -12.2 -36.5 5.1 73 314 A K G >< S+ 0 0 87 -4,-0.7 3,-1.7 -3,-0.3 -2,-0.1 0.891 70.2 58.2 -53.0 -54.5 -13.9 -35.3 1.9 74 315 A D G 34 S+ 0 0 151 1,-0.3 -1,-0.2 -5,-0.1 -5,-0.0 0.719 107.0 47.5 -48.8 -35.1 -17.1 -37.6 2.1 75 316 A A G <4 S+ 0 0 24 -3,-0.8 48,-3.2 47,-0.1 2,-0.4 0.565 90.4 101.9 -90.0 -10.3 -18.2 -36.2 5.5 76 317 A M << - 0 0 14 -3,-1.7 2,-0.4 -4,-0.5 46,-0.1 -0.624 59.2-148.0 -87.0 129.1 -17.8 -32.5 4.7 77 318 A F - 0 0 1 11,-0.4 11,-2.7 -2,-0.4 2,-0.3 -0.787 22.6-163.6 -79.9 133.4 -20.7 -30.2 4.0 78 319 A T E +M 87 0D 40 -2,-0.4 412,-0.4 412,-0.3 2,-0.3 -0.865 13.7 174.8-120.2 155.8 -19.6 -27.4 1.6 79 320 A T E -M 86 0D 6 7,-2.4 7,-3.2 -2,-0.3 2,-0.3 -0.921 16.9-135.2-148.8 168.3 -21.2 -24.1 0.6 80 321 A S E +M 85 0D 72 408,-0.4 2,-0.3 -2,-0.3 408,-0.3 -0.964 17.5 177.3-135.6 150.0 -20.2 -21.2 -1.5 81 322 A S E > S-M 84 0D 4 3,-2.4 3,-1.4 -2,-0.3 -2,-0.0 -0.943 74.8 -10.2-151.2 133.0 -20.1 -17.4 -1.7 82 323 A E T 3 S- 0 0 97 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.894 128.1 -51.9 50.0 49.4 -18.7 -15.1 -4.3 83 324 A N T 3 S+ 0 0 175 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.644 115.0 114.6 65.1 17.5 -17.0 -18.0 -6.2 84 325 A R E < - M 0 81D 76 -3,-1.4 -3,-2.4 -24,-0.0 2,-0.4 -0.968 60.2-136.5-117.7 138.8 -15.3 -19.3 -3.1 85 326 A E E - M 0 80D 59 -2,-0.4 -25,-2.9 -5,-0.2 -24,-0.4 -0.790 19.5-169.0 -98.9 135.2 -16.0 -22.6 -1.5 86 327 A Y E -LM 59 79D 4 -7,-3.2 -7,-2.4 -2,-0.4 2,-0.5 -0.889 13.2-141.9-121.0 145.8 -16.3 -23.0 2.3 87 328 A C E -LM 58 78D 0 -29,-2.6 -29,-1.4 -2,-0.3 2,-0.4 -0.913 19.0-128.9-106.1 135.5 -16.5 -26.2 4.4 88 329 A I E -L 57 0D 0 -11,-2.7 -11,-0.4 -2,-0.5 -31,-0.2 -0.749 49.4 -95.8 -75.7 132.7 -18.8 -26.2 7.4 89 330 A K - 0 0 6 -33,-3.2 32,-1.9 -2,-0.4 3,-0.1 -0.311 39.4-178.0 -65.5 130.6 -16.4 -27.4 10.1 90 331 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.520 80.5 20.8 -90.5 -13.4 -16.3 -31.2 10.9 91 332 A M - 0 0 11 28,-0.1 4,-0.3 29,-0.0 28,-0.1 -0.966 67.1-137.6-150.9 160.7 -13.7 -30.5 13.6 92 333 A N S > S+ 0 0 1 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 0.518 79.3 92.2-100.7 -9.9 -12.6 -27.5 15.7 93 334 A C H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.895 82.7 50.8 -57.1 -48.4 -8.9 -28.0 15.6 94 335 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.908 110.4 50.8 -62.8 -36.3 -8.0 -25.9 12.5 95 336 A G H > S+ 0 0 3 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.876 108.6 52.8 -61.8 -43.0 -10.0 -22.9 14.0 96 337 A H H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.903 108.1 50.5 -59.4 -40.8 -8.0 -23.3 17.3 97 338 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.875 105.3 56.0 -67.6 -34.7 -4.8 -23.2 15.4 98 339 A Q H < S+ 0 0 19 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.913 109.9 46.7 -62.1 -37.6 -5.9 -20.0 13.6 99 340 A I H >< S+ 0 0 9 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.938 110.9 50.7 -67.0 -44.5 -6.4 -18.5 17.1 100 341 A F H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.850 104.4 60.6 -55.9 -39.8 -3.0 -19.8 18.3 101 342 A N T 3< S+ 0 0 55 -4,-2.3 2,-0.6 -5,-0.1 -1,-0.3 0.575 82.4 94.7 -71.0 -14.3 -1.4 -18.2 15.1 102 343 A Q S < S+ 0 0 66 -3,-1.3 322,-0.0 -4,-0.5 -3,-0.0 -0.732 90.6 4.6 -78.0 120.9 -2.6 -14.7 16.1 103 344 A G S S- 0 0 55 -2,-0.6 2,-0.0 2,-0.1 0, 0.0 0.475 101.3 -68.1 77.8 138.2 0.2 -13.0 18.0 104 345 A L - 0 0 161 1,-0.1 2,-0.3 152,-0.0 152,-0.1 -0.289 52.6-151.8 -58.3 128.7 3.7 -14.2 18.6 105 346 A K - 0 0 34 150,-0.3 152,-2.3 -4,-0.1 2,-0.3 -0.848 10.0-166.2-106.9 147.9 3.8 -17.2 21.0 106 347 A S B > -n 257 0E 26 -2,-0.3 3,-2.0 150,-0.3 4,-0.2 -0.838 40.9-102.9-123.5 163.4 6.6 -18.2 23.3 107 348 A Y G > S+ 0 0 73 150,-2.3 3,-1.6 -2,-0.3 41,-0.1 0.789 119.4 69.7 -51.5 -28.5 7.5 -21.3 25.3 108 349 A R G 3 S+ 0 0 180 1,-0.3 -1,-0.3 149,-0.2 150,-0.1 0.742 93.2 56.2 -60.8 -28.4 6.2 -19.2 28.3 109 350 A D G < S+ 0 0 72 -3,-2.0 -1,-0.3 3,-0.0 -2,-0.2 0.416 92.3 135.7 -83.6 -2.2 2.7 -19.5 26.9 110 351 A L < + 0 0 13 -3,-1.6 2,-0.2 -4,-0.2 37,-0.2 -0.837 47.5 40.0-107.9 143.6 2.8 -23.3 26.9 111 352 A P S S- 0 0 39 0, 0.0 2,-0.6 0, 0.0 36,-0.2 0.473 76.8-176.8 -75.6 141.3 1.0 -25.5 27.7 112 353 A L E - D 0 146B 13 34,-2.6 34,-2.5 -2,-0.2 2,-0.7 -0.959 8.2-161.9-111.7 112.5 -1.8 -23.5 26.2 113 354 A R E - D 0 145B 53 -2,-0.6 -63,-3.4 -65,-0.4 2,-0.6 -0.861 8.5-174.9-102.7 113.8 -5.1 -25.4 26.8 114 355 A M E -cD 50 144B 2 30,-2.7 30,-2.3 -2,-0.7 2,-0.2 -0.919 3.3-174.3-119.2 105.2 -7.9 -24.1 24.4 115 356 A A E +cD 51 143B 2 -65,-2.6 -63,-2.8 -2,-0.6 2,-0.3 -0.599 5.7 174.6 -94.4 154.6 -11.4 -25.6 25.0 116 357 A E E - 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0 0 5 -5,-2.2 2,-1.0 1,-0.0 -1,-0.3 -0.675 60.1-121.5 -91.6 139.8 -34.7 -24.9 42.1 327 568 A R + 0 0 57 -2,-0.3 -27,-1.8 -30,-0.1 -26,-1.8 -0.724 52.0 165.6 -78.2 104.5 -36.4 -26.0 38.8 328 569 A V E -r 301 0H 18 -2,-1.0 2,-0.3 -28,-0.2 -26,-0.2 -0.916 23.9-171.2-132.3 141.6 -40.0 -26.3 40.2 329 570 A K E -r 302 0H 123 -28,-2.0 -26,-2.6 -2,-0.3 2,-0.3 -0.980 18.5-133.5-129.7 149.3 -43.5 -26.6 38.7 330 571 A A E -r 303 0H 37 -2,-0.3 2,-0.5 -28,-0.2 -26,-0.2 -0.751 8.1-159.4 -99.0 144.9 -47.0 -26.4 40.3 331 572 A D E +r 304 0H 5 -28,-2.7 -26,-1.4 -2,-0.3 9,-0.0 -0.884 22.5 162.2-124.8 97.0 -49.6 -29.0 39.4 332 573 A L + 0 0 63 -2,-0.5 -1,-0.1 -28,-0.2 -21,-0.1 0.425 26.4 137.1 -97.2 0.7 -52.9 -27.4 40.4 333 574 A R - 0 0 87 1,-0.2 2,-2.4 3,-0.0 -28,-0.1 0.028 66.9-111.4 -56.4 148.4 -55.2 -29.7 38.3 334 575 A N S S+ 0 0 134 -27,-0.0 2,-0.3 -26,-0.0 -1,-0.2 -0.493 77.5 121.3 -74.9 72.7 -58.5 -31.2 39.5 335 576 A E S S- 0 0 75 -2,-2.4 5,-0.0 -29,-0.2 0, 0.0 -0.960 70.5 -92.1-134.6 152.4 -57.0 -34.7 39.6 336 577 A K > - 0 0 172 -2,-0.3 4,-1.8 1,-0.1 3,-0.4 -0.290 36.8-116.4 -59.2 146.6 -56.5 -37.3 42.3 337 578 A I H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.881 116.0 51.2 -49.7 -46.1 -53.2 -37.3 44.2 338 579 A G H > S+ 0 0 27 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.815 106.1 55.1 -64.3 -32.2 -52.2 -40.8 42.8 339 580 A F H > S+ 0 0 81 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.895 110.5 46.4 -66.2 -41.4 -53.0 -39.7 39.2 340 581 A K H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.928 110.5 51.3 -68.4 -46.7 -50.6 -36.8 39.6 341 582 A I H X S+ 0 0 26 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.897 109.7 50.5 -59.9 -42.1 -47.8 -38.9 41.2 342 583 A R H X S+ 0 0 159 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.902 111.8 48.0 -61.6 -45.1 -48.0 -41.4 38.4 343 584 A E H X S+ 0 0 74 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.949 114.0 44.5 -60.4 -50.5 -47.7 -38.7 35.7 344 585 A H H <>S+ 0 0 24 -4,-2.7 5,-2.7 1,-0.2 -1,-0.2 0.773 110.5 56.0 -73.3 -20.8 -44.8 -36.9 37.3 345 586 A T H ><5S+ 0 0 37 -4,-1.9 3,-1.5 -5,-0.3 -1,-0.2 0.901 107.2 48.4 -68.3 -42.3 -43.2 -40.3 37.9 346 587 A L H 3<5S+ 0 0 103 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.847 109.9 53.5 -64.8 -33.5 -43.4 -41.0 34.1 347 588 A R T 3<5S- 0 0 97 -4,-2.1 -1,-0.3 -5,-0.2 -48,-0.2 0.473 113.6-127.5 -76.7 0.9 -41.9 -37.5 33.7 348 589 A R T < 5 + 0 0 31 -3,-1.5 -3,-0.2 1,-0.2 -56,-0.2 0.813 42.7 172.1 61.0 32.2 -39.1 -38.7 36.1 349 590 A V < - 0 0 4 -5,-2.7 21,-0.3 1,-0.2 -1,-0.2 -0.624 29.2-142.3 -76.2 120.2 -39.5 -35.7 38.4 350 591 A P S S+ 0 0 0 0, 0.0 20,-1.5 0, 0.0 2,-0.4 0.903 77.4 23.9 -48.5 -53.8 -37.2 -36.4 41.4 351 592 A Y E -sT 301 369H 2 -51,-1.9 -49,-2.1 18,-0.2 2,-0.5 -0.967 58.4-165.8-127.0 138.8 -39.4 -35.0 44.2 352 593 A M E -sT 302 368H 0 16,-2.6 16,-2.8 -2,-0.4 2,-0.6 -0.985 10.6-156.1-122.1 122.9 -43.1 -34.4 44.5 353 594 A L E -sT 303 367H 2 -51,-2.8 -49,-2.8 -2,-0.5 2,-0.4 -0.906 9.2-156.4-106.7 111.9 -44.4 -32.2 47.3 354 595 A V E -sT 304 366H 8 12,-3.1 12,-2.3 -2,-0.6 2,-0.5 -0.765 5.7-163.9 -95.1 130.5 -48.0 -33.0 48.2 355 596 A C E +s 305 0H 0 -51,-1.9 -49,-1.0 -2,-0.4 2,-0.2 -0.919 17.7 159.8-125.4 102.3 -50.0 -30.2 49.9 356 597 A G > - 0 0 7 -2,-0.5 4,-2.0 -51,-0.2 3,-0.4 -0.436 60.3 -80.7-103.7-173.6 -53.2 -30.9 51.7 357 598 A D H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.888 129.5 54.4 -56.9 -43.4 -55.0 -28.9 54.4 358 599 A K H > S+ 0 0 153 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.819 107.8 50.4 -62.9 -34.3 -52.7 -30.1 57.2 359 600 A E H >>S+ 0 0 25 -3,-0.4 4,-1.2 2,-0.2 5,-1.2 0.873 108.3 51.7 -68.0 -42.0 -49.6 -29.0 55.2 360 601 A V H <5S+ 0 0 57 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.940 112.2 49.3 -57.5 -45.5 -51.2 -25.5 54.6 361 602 A E H <5S+ 0 0 170 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.908 118.1 35.1 -56.0 -52.5 -51.7 -25.4 58.5 362 603 A S H <5S- 0 0 68 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.477 103.7-120.9 -92.2 -4.7 -48.3 -26.4 59.6 363 604 A G T <5S+ 0 0 34 -4,-1.2 17,-0.9 -3,-0.4 -3,-0.2 0.743 75.8 116.2 67.4 25.8 -46.3 -24.7 56.8 364 605 A K E < - 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