==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 29-SEP-00 1FYF . COMPND 2 MOLECULE: THREONYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.SANKARANARAYANAN,A.C.DOCK-BREGEON,D.MORAS . 802 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 597 74.4 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 . 146 18.2 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 . 62 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 29.4 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 2 4 2 0 2 0 2 4 0 0 0 2 0 2 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 4 6 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 0 151 0, 0.0 288,-0.2 0, 0.0 231,-0.2 0.000 360.0 360.0 360.0 -27.2 9.7 6.0 27.8 2 243 A D > - 0 0 34 1,-0.2 4,-2.3 230,-0.1 3,-0.4 -0.341 360.0-142.1 -59.5 127.4 10.0 7.5 24.3 3 244 A H H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.764 99.4 59.0 -64.1 -24.1 10.9 11.2 24.5 4 245 A R H > S+ 0 0 115 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.908 109.0 43.1 -71.8 -38.2 8.7 12.0 21.6 5 246 A K H > S+ 0 0 114 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.911 117.2 46.3 -71.4 -43.7 5.6 10.6 23.3 6 247 A I H X S+ 0 0 12 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.895 108.7 56.3 -65.3 -39.6 6.5 12.3 26.6 7 248 A G H <>S+ 0 0 1 -4,-2.4 5,-2.6 -5,-0.2 6,-0.6 0.862 110.0 45.9 -60.6 -35.6 7.2 15.6 24.8 8 249 A K H ><5S+ 0 0 170 -4,-1.3 3,-1.1 3,-0.2 -2,-0.2 0.934 111.5 50.9 -72.1 -45.5 3.7 15.5 23.4 9 250 A Q H 3<5S+ 0 0 74 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.858 117.6 39.0 -60.4 -36.8 2.1 14.6 26.7 10 251 A L T 3<5S- 0 0 5 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.338 108.2-123.5 -96.6 6.0 3.9 17.5 28.5 11 252 A D T < 5 + 0 0 65 -3,-1.1 17,-0.5 -4,-0.2 18,-0.5 0.901 61.9 143.8 53.7 48.2 3.5 19.9 25.6 12 253 A L < - 0 0 3 -5,-2.6 14,-1.9 1,-0.3 17,-0.6 0.874 63.8 -32.1 -84.6 -39.6 7.3 20.5 25.4 13 254 A Y E -A 25 0A 21 -6,-0.6 2,-0.3 12,-0.3 -1,-0.3 -0.958 51.0-149.3-165.8 174.5 7.8 20.9 21.6 14 255 A H E -A 24 0A 14 10,-1.8 10,-2.1 -2,-0.3 2,-0.3 -0.971 4.7-151.9-152.8 163.7 6.6 19.7 18.2 15 256 A M - 0 0 61 -2,-0.3 2,-0.3 8,-0.2 8,-0.1 -0.945 13.8-172.9-135.0 154.1 8.0 19.2 14.8 16 257 A Q > - 0 0 34 6,-0.4 3,-1.7 3,-0.4 6,-0.3 -0.970 37.9-101.7-147.3 164.4 6.3 19.4 11.4 17 258 A E T 3 S+ 0 0 158 -2,-0.3 -1,-0.0 1,-0.3 444,-0.0 0.704 110.7 66.7 -59.1 -26.4 6.9 18.7 7.7 18 259 A E T 3 S+ 0 0 62 1,-0.3 443,-2.8 442,-0.1 -1,-0.3 0.610 114.0 31.4 -73.8 -7.5 7.6 22.3 6.7 19 260 A A S X S- 0 0 1 -3,-1.7 3,-2.0 441,-0.2 -3,-0.4 -0.454 84.1-158.0-146.2 68.2 10.7 22.2 8.8 20 261 A P T 3 S+ 0 0 23 0, 0.0 116,-0.1 0, 0.0 3,-0.1 -0.208 80.7 1.9 -50.8 129.0 12.2 18.7 8.8 21 262 A G T 3 S+ 0 0 8 1,-0.2 115,-2.7 114,-0.1 116,-1.7 0.705 102.7 123.1 65.0 21.8 14.5 18.2 11.9 22 263 A M < - 0 0 6 -3,-2.0 -6,-0.4 -6,-0.3 2,-0.3 -0.967 55.9-135.2-117.2 126.3 13.8 21.7 13.2 23 264 A V - 0 0 9 -2,-0.5 2,-0.7 114,-0.4 -8,-0.2 -0.638 9.2-157.7 -90.0 137.0 12.3 22.0 16.6 24 265 A F E -A 14 0A 0 -10,-2.1 -10,-1.8 -2,-0.3 2,-0.6 -0.945 22.0-151.6-105.4 105.1 9.4 24.3 17.7 25 266 A W E -AB 13 455A 6 430,-2.9 430,-1.8 -2,-0.7 -12,-0.3 -0.734 6.5-151.1 -84.8 119.0 10.0 24.7 21.4 26 267 A H > - 0 0 7 -14,-1.9 4,-3.0 -2,-0.6 5,-0.3 -0.346 36.3 -91.1 -80.0 168.6 6.8 25.3 23.3 27 268 A N H > S+ 0 0 40 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.906 125.8 45.8 -47.5 -50.7 6.8 27.4 26.5 28 269 A D H > S+ 0 0 27 -17,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.886 114.4 45.2 -65.8 -38.7 7.3 24.4 28.7 29 270 A G H > S+ 0 0 0 -17,-0.6 4,-2.2 -18,-0.5 -1,-0.2 0.891 111.9 53.6 -70.9 -36.3 10.1 22.8 26.7 30 271 A W H X S+ 0 0 21 -4,-3.0 4,-2.6 -18,-0.3 -1,-0.2 0.807 102.2 59.5 -67.4 -27.8 11.8 26.1 26.3 31 272 A T H X S+ 0 0 10 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.918 107.0 45.6 -65.7 -40.7 11.7 26.4 30.1 32 273 A I H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.933 112.0 52.3 -65.4 -44.8 13.7 23.3 30.4 33 274 A F H X S+ 0 0 2 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.925 110.5 47.6 -56.0 -47.0 16.1 24.5 27.7 34 275 A R H X S+ 0 0 58 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.852 108.3 53.9 -65.6 -37.1 16.6 27.8 29.6 35 276 A E H X S+ 0 0 40 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.862 107.6 51.3 -66.2 -34.4 17.2 26.1 32.9 36 277 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.883 108.4 51.9 -69.0 -36.3 19.9 24.1 31.3 37 278 A E H X S+ 0 0 22 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.930 109.5 49.4 -63.9 -43.6 21.5 27.2 29.9 38 279 A V H X S+ 0 0 69 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.918 112.0 48.9 -60.0 -43.3 21.5 28.8 33.4 39 280 A F H X S+ 0 0 6 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.947 112.3 47.4 -60.4 -51.0 23.1 25.6 34.8 40 281 A V H X S+ 0 0 2 -4,-2.9 4,-2.3 1,-0.2 3,-0.4 0.918 110.0 53.4 -57.9 -44.8 25.8 25.6 32.1 41 282 A R H X S+ 0 0 51 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.862 102.8 57.3 -61.0 -34.8 26.4 29.3 32.7 42 283 A S H X S+ 0 0 46 -4,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.881 111.0 43.7 -64.4 -32.9 27.0 28.7 36.4 43 284 A K H X S+ 0 0 21 -4,-1.4 4,-3.3 -3,-0.4 -2,-0.2 0.843 107.9 58.0 -78.9 -33.0 29.7 26.2 35.4 44 285 A L H <>S+ 0 0 11 -4,-2.3 5,-2.5 2,-0.2 -2,-0.2 0.898 110.0 45.7 -61.4 -39.3 31.2 28.6 32.7 45 286 A K H ><5S+ 0 0 123 -4,-2.1 3,-1.0 3,-0.2 -2,-0.2 0.940 114.7 46.8 -68.1 -46.9 31.6 31.1 35.5 46 287 A E H 3<5S+ 0 0 114 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.898 116.7 43.2 -62.2 -42.4 33.1 28.6 37.9 47 288 A Y T 3<5S- 0 0 48 -4,-3.3 -1,-0.2 -5,-0.1 -2,-0.2 0.302 116.2-113.3 -89.8 9.9 35.5 27.1 35.2 48 289 A Q T < 5 + 0 0 147 -3,-1.0 65,-0.4 -4,-0.2 2,-0.3 0.943 56.9 155.3 60.1 61.5 36.5 30.6 33.9 49 290 A Y < - 0 0 29 -5,-2.5 65,-0.2 63,-0.1 2,-0.2 -0.846 37.4-135.0-114.3 150.9 35.1 30.8 30.4 50 291 A Q E -c 114 0B 66 63,-3.1 65,-2.7 -2,-0.3 2,-0.4 -0.563 21.2-139.7 -90.9 165.0 34.1 33.9 28.4 51 292 A E E +c 115 0B 9 -2,-0.2 65,-0.2 63,-0.2 2,-0.2 -0.996 28.8 163.2-131.8 129.5 30.8 33.7 26.5 52 293 A V - 0 0 0 63,-2.8 65,-0.4 -2,-0.4 2,-0.3 -0.652 28.4-135.5-130.6-176.5 30.4 35.0 23.0 53 294 A K B -J 427 0C 38 374,-1.8 374,-3.0 -2,-0.2 65,-0.1 -0.924 17.4-161.7-149.9 121.1 28.1 34.8 20.0 54 295 A G - 0 0 6 -2,-0.3 372,-0.1 372,-0.2 371,-0.1 -0.588 32.2 -84.7-100.1 165.8 29.2 34.4 16.4 55 296 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 34,-0.1 -0.250 29.4-123.9 -68.6 155.5 27.2 35.0 13.2 56 297 A F S S+ 0 0 17 1,-0.1 33,-2.9 32,-0.1 2,-0.3 0.740 90.2 21.1 -70.4 -26.4 24.9 32.5 11.6 57 298 A M E -L 88 0D 4 31,-0.3 2,-0.3 364,-0.0 31,-0.2 -0.984 60.1-174.3-144.2 156.1 26.7 32.5 8.3 58 299 A M E -L 87 0D 3 29,-1.5 29,-2.6 -2,-0.3 363,-0.2 -0.968 44.1 -72.3-145.3 157.1 30.0 33.3 6.7 59 300 A D E >> -L 86 0D 19 361,-2.9 3,-1.5 -2,-0.3 4,-1.1 -0.164 39.7-122.9 -53.3 137.5 31.5 33.5 3.2 60 301 A R H 3> S+ 0 0 78 25,-2.6 4,-1.6 1,-0.3 5,-0.2 0.825 108.9 68.7 -50.1 -35.5 32.1 30.1 1.6 61 302 A V H 3> S+ 0 0 64 24,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.870 96.5 52.1 -55.9 -37.3 35.7 31.2 1.2 62 303 A L H <> S+ 0 0 7 -3,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.934 109.0 49.6 -65.8 -42.8 36.3 31.0 4.9 63 304 A W H X>S+ 0 0 0 -4,-1.1 6,-2.2 1,-0.2 4,-0.6 0.746 107.3 55.6 -68.6 -21.8 34.8 27.5 5.0 64 305 A E H ><5S+ 0 0 75 -4,-1.6 3,-0.6 4,-0.2 6,-0.2 0.909 105.8 52.2 -74.9 -39.6 37.1 26.5 2.2 65 306 A K H 3<5S+ 0 0 125 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.836 107.5 50.1 -63.4 -36.6 40.2 27.6 4.2 66 307 A T H 3<5S- 0 0 2 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.674 114.8-112.0 -76.4 -18.7 39.3 25.6 7.3 67 308 A G T S+ 0 0 32 -6,-2.2 4,-1.0 3,-0.2 -1,-0.2 0.954 115.0 37.2 -62.5 -48.9 34.2 22.7 2.3 70 311 A D H 4 S+ 0 0 124 -7,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.850 132.0 28.5 -71.4 -33.0 36.3 19.8 1.1 71 312 A N H < S+ 0 0 48 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.2 0.471 133.5 25.5-108.7 -1.8 35.5 17.5 4.1 72 313 A Y H >X S+ 0 0 52 -4,-2.6 3,-1.4 -5,-0.2 4,-0.5 0.286 76.6 118.7-145.4 9.3 32.1 18.6 5.3 73 314 A K G >< S+ 0 0 74 -4,-1.0 3,-1.5 -5,-0.3 -3,-0.1 0.839 73.5 59.5 -46.9 -46.2 30.3 20.1 2.2 74 315 A D G 34 S+ 0 0 147 1,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.793 104.6 49.6 -58.7 -31.1 27.5 17.6 2.2 75 316 A A G <4 S+ 0 0 22 -3,-1.4 48,-2.6 47,-0.1 2,-0.3 0.520 95.9 94.3 -87.8 -3.7 26.4 18.6 5.7 76 317 A M << - 0 0 12 -3,-1.5 2,-0.4 -4,-0.5 46,-0.1 -0.709 62.3-145.3-100.9 141.5 26.3 22.3 5.0 77 318 A F - 0 0 3 11,-0.5 11,-2.4 -2,-0.3 2,-0.3 -0.766 23.3-161.4 -92.0 141.3 23.4 24.5 4.0 78 319 A T E +M 87 0D 41 -2,-0.4 404,-0.3 404,-0.2 2,-0.3 -0.898 15.8 168.5-125.7 157.4 24.4 27.3 1.6 79 320 A T E -M 86 0D 6 7,-2.3 7,-3.2 -2,-0.3 2,-0.3 -0.882 16.9-141.5-150.7 177.6 22.7 30.6 0.6 80 321 A S E -M 85 0D 66 400,-0.3 2,-0.3 -2,-0.3 400,-0.3 -0.960 14.2-175.5-147.9 166.3 23.8 33.7 -1.3 81 322 A S E > S-M 84 0D 4 3,-2.2 3,-1.4 -2,-0.3 -2,-0.0 -0.887 74.3 -5.6-163.2 130.0 23.5 37.5 -1.5 82 323 A E T 3 S- 0 0 96 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.903 129.3 -50.1 48.2 53.6 24.9 39.9 -4.1 83 324 A N T 3 S+ 0 0 177 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.648 115.6 114.7 63.4 18.1 26.8 37.3 -6.1 84 325 A R E < - M 0 81D 78 -3,-1.4 -3,-2.2 -24,-0.0 2,-0.4 -0.955 58.0-138.7-121.0 139.7 28.4 35.9 -3.0 85 326 A E E - M 0 80D 64 -2,-0.4 -25,-2.6 -5,-0.2 -24,-0.3 -0.793 19.2-172.9 -99.8 138.2 28.0 32.5 -1.4 86 327 A Y E -LM 59 79D 6 -7,-3.2 -7,-2.3 -2,-0.4 2,-0.5 -0.912 16.5-140.9-127.7 153.6 27.6 31.8 2.3 87 328 A C E -LM 58 78D 0 -29,-2.6 -29,-1.5 -2,-0.3 2,-0.4 -0.958 21.4-127.9-113.8 131.1 27.5 28.7 4.4 88 329 A I E -L 57 0D 0 -11,-2.4 -11,-0.5 -2,-0.5 -31,-0.3 -0.649 49.2 -96.6 -72.2 131.8 25.1 28.6 7.4 89 330 A K - 0 0 6 -33,-2.9 32,-2.0 -2,-0.4 -1,-0.1 -0.237 39.9-178.9 -61.5 131.3 27.5 27.5 10.2 90 331 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.549 79.1 25.2 -98.4 -12.8 27.6 23.8 11.0 91 332 A M - 0 0 16 28,-0.1 4,-0.2 29,-0.1 28,-0.1 -0.965 66.5-139.0-147.1 157.3 30.1 24.5 13.8 92 333 A N S > S+ 0 0 2 -2,-0.3 4,-1.7 1,-0.1 3,-0.2 0.564 79.6 91.6 -95.4 -11.4 31.1 27.5 16.0 93 334 A C H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.889 82.1 51.0 -54.5 -52.3 34.9 27.1 15.8 94 335 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.904 110.7 50.1 -55.9 -40.6 35.7 29.3 12.8 95 336 A G H > S+ 0 0 4 -4,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.873 108.6 52.8 -64.9 -36.8 33.7 32.2 14.3 96 337 A H H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.886 107.9 50.7 -66.5 -36.8 35.5 31.8 17.6 97 338 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.894 106.6 55.3 -67.4 -36.6 38.9 32.0 15.8 98 339 A Q H < S+ 0 0 14 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.903 110.0 46.1 -61.5 -39.2 37.7 35.2 14.0 99 340 A I H >< S+ 0 0 10 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.921 110.8 52.2 -68.1 -42.2 37.0 36.7 17.5 100 341 A F H 3< S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.879 102.7 60.6 -59.3 -38.9 40.3 35.5 18.8 101 342 A N T 3< S+ 0 0 52 -4,-2.5 2,-0.8 -5,-0.1 -1,-0.3 0.538 81.4 98.2 -68.0 -9.2 42.0 37.2 15.8 102 343 A Q S < S+ 0 0 69 -3,-1.6 -3,-0.0 -4,-0.3 -4,-0.0 -0.740 88.8 2.7 -84.1 111.3 40.7 40.6 16.9 103 344 A G S S- 0 0 56 -2,-0.8 2,-0.1 2,-0.1 0, 0.0 0.247 100.9 -65.1 90.3 141.8 43.5 42.4 18.7 104 345 A L - 0 0 157 1,-0.1 2,-0.4 152,-0.0 152,-0.1 -0.378 52.1-148.8 -63.1 131.9 47.0 41.3 19.4 105 346 A K - 0 0 32 150,-0.3 152,-2.3 -2,-0.1 2,-0.3 -0.855 11.1-166.4-108.9 141.8 47.3 38.2 21.7 106 347 A S B > -n 257 0E 23 -2,-0.4 3,-2.3 150,-0.3 4,-0.3 -0.791 39.3-105.8-119.3 163.6 50.1 37.5 24.1 107 348 A Y G > S+ 0 0 70 150,-2.1 3,-1.1 1,-0.3 151,-0.1 0.740 118.8 68.1 -60.8 -20.8 51.0 34.3 26.0 108 349 A R G 3 S+ 0 0 175 149,-0.3 -1,-0.3 1,-0.2 150,-0.1 0.687 92.0 60.1 -72.7 -15.4 49.5 36.0 29.1 109 350 A D G < S+ 0 0 75 -3,-2.3 -1,-0.2 3,-0.0 -2,-0.2 0.559 91.0 132.5 -86.1 -9.8 46.1 35.8 27.4 110 351 A L < + 0 0 15 -3,-1.1 37,-0.2 -4,-0.3 2,-0.1 -0.769 47.1 40.5-104.6 147.6 46.3 32.0 27.3 111 352 A P S S- 0 0 35 0, 0.0 2,-0.6 0, 0.0 36,-0.2 0.438 76.2-177.9 -72.8 142.7 44.6 29.7 28.0 112 353 A L E - D 0 146B 15 34,-2.4 34,-2.6 -2,-0.1 2,-0.7 -0.952 8.9-161.5-112.5 111.8 41.6 31.7 26.6 113 354 A R E - D 0 145B 52 -2,-0.6 -63,-3.1 -65,-0.4 2,-0.6 -0.856 8.2-173.0 -99.9 113.8 38.4 29.7 27.1 114 355 A M E -cD 50 144B 2 30,-2.8 30,-2.2 -2,-0.7 2,-0.2 -0.898 3.7-174.8-114.8 110.5 35.6 30.9 24.7 115 356 A A E +cD 51 143B 2 -65,-2.7 -63,-2.8 -2,-0.6 2,-0.3 -0.653 6.9 172.0-104.3 158.0 32.1 29.5 25.1 116 357 A E E - 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s 0 355H 4 26,-1.1 51,-0.2 -2,-0.3 3,-0.1 -0.532 11.1-144.4-101.0 169.9 -9.0 24.6 45.6 306 547 A I S S- 0 0 76 49,-0.8 2,-0.3 1,-0.5 -1,-0.1 0.800 84.6 -3.0 -99.1 -46.5 -11.8 22.2 46.5 307 548 A T S > S- 0 0 73 27,-0.1 3,-2.4 29,-0.0 -1,-0.5 -0.891 86.4 -90.2-139.3 166.0 -14.7 24.7 46.0 308 549 A D G > S+ 0 0 134 1,-0.3 3,-1.2 -2,-0.3 4,-0.4 0.666 114.0 82.2 -53.8 -16.3 -14.8 28.4 45.1 309 550 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.816 97.5 38.4 -59.4 -31.5 -14.7 29.0 48.9 310 551 A Q G <> S+ 0 0 2 -3,-2.4 4,-2.3 1,-0.1 -1,-0.3 0.336 86.7 103.3-102.5 7.0 -10.9 28.7 48.7 311 552 A S H <> S+ 0 0 16 -3,-1.2 4,-2.3 -4,-0.3 5,-0.2 0.892 81.1 46.9 -56.9 -46.4 -10.3 30.5 45.4 312 553 A E H > S+ 0 0 145 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.902 112.3 51.2 -64.9 -38.7 -9.0 33.7 46.8 313 554 A Y H > S+ 0 0 22 -4,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 110.2 49.4 -63.5 -42.2 -6.7 31.9 49.2 314 555 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.931 110.5 50.1 -62.9 -45.5 -5.3 29.8 46.3 315 556 A N H X S+ 0 0 82 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.889 110.3 51.3 -59.8 -40.6 -4.7 33.0 44.2 316 557 A E H X S+ 0 0 106 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.924 111.7 45.8 -63.3 -45.7 -2.9 34.6 47.1 317 558 A L H X S+ 0 0 12 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.862 109.0 56.6 -66.3 -35.9 -0.6 31.6 47.6 318 559 A T H X S+ 0 0 24 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.941 109.6 44.1 -61.6 -47.7 0.1 31.4 43.9 319 560 A Q H X S+ 0 0 109 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.897 112.9 54.1 -64.3 -38.1 1.3 35.0 43.8 320 561 A K H X S+ 0 0 87 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.926 111.8 42.0 -62.1 -46.7 3.3 34.4 46.9 321 562 A L H <>S+ 0 0 1 -4,-2.8 5,-2.4 2,-0.2 -1,-0.2 0.865 113.5 54.2 -68.1 -35.5 5.1 31.4 45.5 322 563 A S H ><5S+ 0 0 26 -4,-2.4 3,-1.8 -5,-0.3 -2,-0.2 0.918 106.9 50.4 -63.5 -43.6 5.5 33.2 42.2 323 564 A N H 3<5S+ 0 0 120 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.769 104.8 59.2 -65.8 -23.3 7.2 36.1 44.0 324 565 A A T 3<5S- 0 0 32 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.355 124.9-104.1 -85.7 4.8 9.4 33.6 45.7 325 566 A G T < 5S+ 0 0 52 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.642 74.8 138.5 84.3 17.1 10.7 32.5 42.2 326 567 A I < - 0 0 5 -5,-2.4 2,-1.2 1,-0.0 -1,-0.3 -0.756 59.4-122.0 -98.2 139.8 8.8 29.2 41.9 327 568 A R + 0 0 54 -2,-0.3 -26,-2.0 -30,-0.1 -27,-1.8 -0.703 53.0 164.4 -79.7 99.2 7.1 28.2 38.7 328 569 A V E -r 301 0H 16 -2,-1.2 2,-0.3 -28,-0.2 -26,-0.2 -0.907 23.8-171.6-125.4 148.7 3.5 27.8 40.0 329 570 A K E -r 302 0H 130 -28,-2.0 -26,-2.6 -2,-0.3 2,-0.4 -0.975 18.8-131.4-136.5 148.7 0.1 27.6 38.5 330 571 A A E -r 303 0H 41 -2,-0.3 2,-0.6 -28,-0.2 -26,-0.2 -0.819 8.6-159.9-102.7 140.4 -3.4 27.7 40.0 331 572 A D E +r 304 0H 3 -28,-3.0 -26,-1.1 -2,-0.4 9,-0.1 -0.854 25.8 156.4-120.5 93.3 -6.1 25.1 39.2 332 573 A L + 0 0 57 -2,-0.6 -1,-0.1 -28,-0.2 -28,-0.1 0.251 26.3 138.1-100.1 10.2 -9.4 26.7 40.1 333 574 A R - 0 0 95 1,-0.1 2,-1.9 3,-0.0 -28,-0.1 -0.088 67.0-108.7 -57.1 154.4 -11.5 24.5 37.7 334 575 A N S S+ 0 0 161 -27,-0.0 2,-0.3 -26,-0.0 -1,-0.1 -0.530 80.1 112.7 -86.0 71.4 -14.8 23.1 38.9 335 576 A E S S- 0 0 85 -2,-1.9 2,-0.0 -29,-0.1 5,-0.0 -0.924 74.0 -87.4-137.1 160.9 -13.6 19.5 39.1 336 577 A K > - 0 0 163 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.325 37.7-115.2 -68.6 153.8 -13.0 17.0 41.9 337 578 A I H > S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.886 116.4 53.1 -56.6 -43.1 -9.7 17.1 43.7 338 579 A G H > S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.893 106.5 53.8 -60.7 -39.8 -8.8 13.6 42.5 339 580 A F H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 110.7 46.1 -59.6 -47.1 -9.5 14.6 38.9 340 581 A K H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.923 112.3 49.7 -63.8 -46.0 -7.1 17.6 39.2 341 582 A I H X S+ 0 0 30 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.898 109.3 51.7 -63.0 -39.8 -4.3 15.5 40.9 342 583 A R H X S+ 0 0 151 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.925 110.7 49.1 -63.5 -41.6 -4.5 12.8 38.2 343 584 A E H X S+ 0 0 80 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.937 114.1 43.1 -63.4 -47.6 -4.2 15.4 35.5 344 585 A H H <>S+ 0 0 20 -4,-2.4 5,-2.6 1,-0.2 -1,-0.2 0.741 109.5 57.7 -73.5 -20.6 -1.2 17.1 36.9 345 586 A T H ><5S+ 0 0 36 -4,-1.8 3,-1.5 -5,-0.2 -1,-0.2 0.893 105.4 50.8 -72.3 -38.4 0.4 13.8 37.8 346 587 A L H 3<5S+ 0 0 101 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.801 108.0 53.4 -67.0 -26.4 0.2 12.9 34.1 347 588 A R T 3<5S- 0 0 102 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.432 114.1-124.9 -86.1 1.0 1.9 16.3 33.5 348 589 A R T < 5 + 0 0 50 -3,-1.5 -3,-0.2 1,-0.2 -56,-0.1 0.800 44.0 172.9 61.2 32.6 4.6 15.3 35.9 349 590 A V < - 0 0 7 -5,-2.6 21,-0.3 1,-0.1 -1,-0.2 -0.607 29.7-140.3 -73.7 123.4 4.2 18.3 38.1 350 591 A P S S+ 0 0 0 0, 0.0 20,-1.4 0, 0.0 2,-0.4 0.914 77.6 24.2 -48.6 -55.6 6.4 17.8 41.2 351 592 A Y E -sT 301 369H 2 -51,-1.9 -49,-2.3 18,-0.2 2,-0.5 -0.941 56.2-168.4-125.1 140.2 4.1 19.2 43.8 352 593 A M E -sT 302 368H 0 16,-2.8 16,-2.2 -2,-0.4 2,-0.6 -0.987 12.4-157.2-124.1 120.4 0.4 19.7 44.1 353 594 A L E -sT 303 367H 4 -51,-2.9 -49,-3.0 -2,-0.5 2,-0.4 -0.889 6.9-156.7-102.0 120.9 -0.9 21.8 47.0 354 595 A V E -sT 304 366H 8 12,-3.1 12,-2.5 -2,-0.6 2,-0.5 -0.818 4.0-161.6 -98.7 133.6 -4.5 21.2 48.0 355 596 A C E +s 305 0H 0 -51,-2.3 -49,-0.8 -2,-0.4 2,-0.2 -0.919 19.6 158.4-122.0 107.3 -6.4 23.9 49.8 356 597 A G > - 0 0 10 -2,-0.5 4,-2.3 -51,-0.2 3,-0.3 -0.498 61.0 -80.8-110.1-176.0 -9.5 23.1 51.7 357 598 A D H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.917 129.2 55.2 -54.5 -47.4 -11.2 25.1 54.5 358 599 A K H > S+ 0 0 160 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 109.5 48.0 -52.3 -44.3 -8.7 23.8 57.2 359 600 A E H >>S+ 0 0 18 -3,-0.3 5,-1.7 1,-0.2 4,-1.6 0.950 110.0 51.1 -61.9 -50.1 -5.8 25.0 55.0 360 601 A V H <5S+ 0 0 42 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.844 114.4 44.3 -56.8 -37.1 -7.4 28.4 54.5 361 602 A E H <5S+ 0 0 145 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.881 119.6 39.8 -76.7 -40.0 -7.9 28.8 58.3 362 603 A S H <5S- 0 0 62 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.488 104.6-121.9 -88.9 -5.0 -4.5 27.5 59.4 363 604 A G T <5S+ 0 0 36 -4,-1.6 17,-1.3 1,-0.2 2,-0.2 0.854 74.7 117.1 66.4 33.1 -2.5 29.2 56.6 364 605 A K E < - 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0 0 3 0, 0.0 3,-2.2 0, 0.0 4,-1.2 -0.225 43.7-103.4 -53.2 149.8 24.8 52.2 33.7 696 535 B T T 34 S+ 0 0 0 101,-0.3 3,-0.5 1,-0.3 97,-0.1 0.826 119.9 58.9 -47.8 -42.6 26.2 49.8 36.3 697 536 B W T 34 S+ 0 0 1 100,-0.4 -1,-0.3 95,-0.3 96,-0.1 0.757 115.0 38.4 -62.1 -21.6 23.5 47.1 35.8 698 537 B L T <4 S+ 0 0 0 -3,-2.2 -1,-0.2 3,-0.1 -2,-0.2 0.562 85.5 118.0-102.4 -13.9 24.6 46.9 32.1 699 538 B A < - 0 0 2 -4,-1.2 3,-0.2 -3,-0.5 30,-0.1 -0.348 64.8-135.4 -61.5 129.6 28.4 47.3 32.4 700 539 B P S S+ 0 0 21 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.910 100.3 21.4 -48.0 -49.0 30.3 44.2 31.1 701 540 B V S S- 0 0 24 1,-0.1 29,-0.2 49,-0.1 3,-0.1 -0.990 70.3-175.0-123.9 119.7 32.5 44.4 34.2 702 541 B Q + 0 0 1 27,-1.7 51,-1.8 -2,-0.5 2,-0.3 0.822 69.0 19.2 -85.7 -33.1 31.1 46.3 37.1 703 542 B V E -ij 730 753N 0 26,-1.9 28,-1.9 49,-0.2 2,-0.4 -0.999 54.9-166.8-141.4 140.3 34.0 46.3 39.5 704 543 B V E -ij 731 754N 0 49,-1.9 51,-2.7 -2,-0.3 2,-0.5 -0.998 12.9-157.0-125.3 130.1 37.8 45.7 39.2 705 544 B I E -ij 732 755N 0 26,-2.6 28,-2.8 -2,-0.4 2,-0.4 -0.938 13.2-171.0-109.8 127.6 39.8 45.1 42.3 706 545 B M E -ij 733 756N 0 49,-3.1 51,-2.7 -2,-0.5 2,-0.3 -0.914 14.7-145.2-122.8 144.8 43.6 45.9 42.2 707 546 B N E - 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