==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-APR-08 3CQE . COMPND 2 MOLECULE: WEE1-LIKE PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.J.SQUIRE,E.N.BAKER . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12643.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 0 1 1 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 0 0 1 3 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 . 1 0 1 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 1 293 A S > 0 0 89 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 134.5 -5.5 71.6 33.6 2 294 A R H > + 0 0 88 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.906 360.0 56.0 -67.3 -41.5 -2.2 70.2 34.8 3 295 A Y H > S+ 0 0 15 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.920 116.1 36.9 -56.7 -45.9 -1.6 68.0 31.8 4 296 A T H 4 S+ 0 0 91 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.889 120.8 46.6 -72.8 -41.8 -1.9 71.0 29.5 5 297 A T H < S+ 0 0 103 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.883 120.6 35.2 -73.1 -32.6 -0.2 73.4 31.7 6 298 A E H < S+ 0 0 20 -4,-3.3 21,-3.2 -5,-0.2 22,-0.5 0.694 116.0 45.1 -99.7 -18.4 2.8 71.2 32.7 7 299 A F E < -A 26 0A 4 -4,-1.3 2,-0.5 -5,-0.4 19,-0.2 -0.856 62.9-138.6-129.3 156.5 3.5 69.3 29.5 8 300 A H E -A 25 0A 96 17,-2.2 17,-2.0 -2,-0.3 2,-0.5 -0.977 31.1-133.0-110.0 123.7 3.8 69.8 25.7 9 301 A E E +A 24 0A 88 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.676 27.9 177.0 -86.0 127.2 2.1 67.0 23.9 10 302 A L E - 0 0 78 13,-3.2 2,-0.3 -2,-0.5 14,-0.2 0.864 55.5 -26.9 -98.4 -41.2 4.3 65.7 21.2 11 303 A E E -A 23 0A 108 12,-1.4 12,-2.5 0, 0.0 2,-0.5 -0.957 56.2-107.3-174.9 146.3 2.5 62.7 19.6 12 304 A K E +A 22 0A 109 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.846 35.5 169.4 -88.9 128.3 0.0 60.0 20.4 13 305 A I E + 0 0 78 8,-2.7 2,-0.3 -2,-0.5 9,-0.2 0.393 62.7 35.4-117.4 -5.4 1.8 56.7 20.6 14 306 A G E -A 21 0A 22 7,-1.4 7,-2.9 2,-0.0 2,-0.4 -0.972 53.5-175.7-153.7 137.1 -1.0 54.6 22.1 15 307 A S E +A 20 0A 94 -2,-0.3 5,-0.2 5,-0.3 2,-0.1 -0.885 17.6 170.3-137.0 106.1 -4.8 54.3 21.7 16 308 A G - 0 0 52 3,-1.6 -2,-0.0 -2,-0.4 5,-0.0 -0.238 48.7-100.0 -97.1-174.6 -6.9 51.9 23.8 17 309 A E S S+ 0 0 117 -2,-0.1 -1,-0.1 3,-0.0 0, 0.0 0.969 124.4 17.2 -61.2 -57.4 -10.6 51.1 24.6 18 310 A F S S+ 0 0 81 20,-0.1 21,-0.8 -3,-0.0 2,-0.0 0.966 130.3 19.9 -80.6 -57.9 -10.3 53.0 27.9 19 311 A G E - B 0 38A 7 19,-0.2 -3,-1.6 20,-0.0 2,-0.3 -0.125 53.1-140.6-105.6-168.8 -7.2 55.2 27.5 20 312 A S E -AB 15 37A 24 17,-1.5 17,-3.4 -5,-0.2 2,-0.4 -0.955 16.3-141.3-150.8 155.8 -4.6 56.9 25.3 21 313 A V E -AB 14 36A 31 -7,-2.9 -8,-2.7 -2,-0.3 -7,-1.4 -0.971 16.2-167.2-125.2 130.1 -0.8 57.3 25.6 22 314 A F E -AB 12 35A 21 13,-2.2 13,-2.5 -2,-0.4 2,-0.5 -0.900 23.4-134.1-119.1 144.9 1.2 60.4 24.7 23 315 A K E +AB 11 34A 41 -12,-2.5 -13,-3.2 -2,-0.4 -12,-1.4 -0.870 44.9 169.5 -84.3 125.7 4.8 61.3 24.2 24 316 A C E -AB 9 33A 0 9,-2.5 9,-3.2 -2,-0.5 2,-0.5 -0.948 35.0-134.4-140.2 157.5 5.2 64.6 26.1 25 317 A V E -AB 8 32A 35 -17,-2.0 -17,-2.2 -2,-0.3 2,-0.4 -0.958 26.3-127.3-112.4 125.5 7.9 67.0 27.3 26 318 A K E > -A 7 0A 48 5,-3.1 4,-1.7 -2,-0.5 5,-0.4 -0.624 18.2-144.1 -71.3 125.2 7.6 68.3 30.9 27 319 A R T 4 S+ 0 0 141 -21,-3.2 3,-0.2 -2,-0.4 -1,-0.2 0.946 93.7 48.9 -59.6 -47.2 7.9 72.1 30.3 28 320 A L T 4 S+ 0 0 154 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.846 122.3 28.1 -62.6 -39.4 9.8 72.6 33.6 29 321 A D T 4 S- 0 0 79 2,-0.2 -1,-0.2 -3,-0.0 -2,-0.2 0.410 93.9-130.9-111.7 1.9 12.5 69.9 33.3 30 322 A G < + 0 0 58 -4,-1.7 2,-0.3 1,-0.2 -3,-0.1 0.582 64.1 132.3 71.4 9.9 12.8 69.7 29.5 31 323 A C - 0 0 50 -5,-0.4 -5,-3.1 1,-0.0 2,-0.4 -0.659 55.5-121.0-108.3 151.5 12.5 66.0 29.7 32 324 A I E +B 25 0A 65 -2,-0.3 54,-0.7 -7,-0.2 2,-0.3 -0.751 31.6 172.0-100.7 141.0 10.3 63.5 27.8 33 325 A Y E -BC 24 85A 13 -9,-3.2 -9,-2.5 -2,-0.4 2,-0.5 -0.884 33.8-120.4-141.0 159.3 7.7 61.2 29.3 34 326 A A E -BC 23 84A 18 50,-2.0 50,-3.0 -2,-0.3 2,-0.5 -0.936 32.1-169.5-100.3 122.7 4.9 58.7 28.3 35 327 A I E -BC 22 83A 0 -13,-2.5 -13,-2.2 -2,-0.5 2,-0.5 -0.951 10.6-155.4-119.4 114.8 1.6 59.8 29.8 36 328 A K E -BC 21 82A 68 46,-2.0 46,-2.1 -2,-0.5 2,-0.5 -0.774 10.6-167.7 -87.6 127.5 -1.5 57.5 29.7 37 329 A R E +BC 20 81A 71 -17,-3.4 -17,-1.5 -2,-0.5 2,-0.3 -0.973 17.8 164.1-116.9 121.0 -4.7 59.5 29.9 38 330 A S E -BC 19 80A 27 42,-2.3 42,-3.8 -2,-0.5 -19,-0.2 -0.957 43.0 -77.1-140.8 163.0 -7.8 57.5 30.6 39 331 A K E - C 0 79A 62 -21,-0.8 40,-0.3 -2,-0.3 -20,-0.0 -0.276 45.5-120.1 -60.3 135.8 -11.4 57.8 31.7 40 332 A K - 0 0 90 38,-2.6 3,-0.1 36,-0.1 -1,-0.1 -0.705 30.2-137.3 -77.1 109.2 -11.9 58.4 35.5 41 333 A P - 0 0 28 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.257 39.8 -74.3 -68.4 156.7 -14.1 55.4 36.6 42 334 A L > - 0 0 75 1,-0.1 3,-0.7 2,-0.1 6,-0.3 -0.253 62.5 -92.2 -61.4 132.5 -16.9 56.3 39.1 43 335 A A T 3 S+ 0 0 93 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.068 107.4 8.7 -48.2 128.4 -15.6 57.0 42.6 44 336 A G T 3 S+ 0 0 63 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.878 97.3 128.9 66.8 44.6 -15.6 53.8 44.8 45 337 A S S X> S- 0 0 31 -3,-0.7 4,-1.9 -4,-0.1 3,-1.3 -0.920 73.6-103.0-125.9 154.4 -16.4 51.2 42.1 46 338 A V H 3> S+ 0 0 115 -2,-0.3 4,-1.5 1,-0.3 5,-0.1 0.806 123.0 50.4 -38.9 -41.9 -14.8 47.9 41.0 47 339 A D H 3> S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.849 107.2 54.6 -73.8 -31.8 -13.3 49.6 38.0 48 340 A E H <> S+ 0 0 41 -3,-1.3 4,-3.1 -6,-0.3 3,-0.2 0.972 105.8 50.8 -63.5 -56.4 -11.8 52.4 40.1 49 341 A Q H X S+ 0 0 113 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.866 108.5 55.2 -43.5 -43.4 -10.1 50.0 42.4 50 342 A N H X S+ 0 0 57 -4,-1.5 4,-0.9 -5,-0.3 -1,-0.2 0.929 110.6 43.1 -60.0 -45.3 -8.7 48.4 39.2 51 343 A A H >X S+ 0 0 20 -4,-2.1 4,-1.3 -3,-0.2 3,-0.6 0.943 112.7 53.0 -69.9 -39.7 -7.2 51.7 38.1 52 344 A L H 3X S+ 0 0 45 -4,-3.1 4,-3.1 1,-0.3 5,-0.2 0.877 102.0 58.9 -60.7 -40.5 -5.9 52.6 41.7 53 345 A R H 3X S+ 0 0 93 -4,-2.5 4,-2.8 1,-0.2 -1,-0.3 0.840 102.0 56.4 -57.3 -32.6 -4.0 49.3 42.0 54 346 A E H X S+ 0 0 5 -4,-2.8 3,-1.7 -5,-0.2 4,-1.6 0.937 110.7 50.0 -72.3 -43.5 1.8 49.1 41.9 58 350 A H H 3< S+ 0 0 0 -4,-2.9 12,-0.3 1,-0.3 3,-0.2 0.903 105.3 60.3 -58.3 -39.5 3.8 51.7 39.9 59 351 A A T 3< S+ 0 0 55 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.512 113.1 34.3 -68.0 -7.4 4.5 53.5 43.1 60 352 A V T <4 S+ 0 0 67 -3,-1.7 3,-0.4 -4,-0.2 -1,-0.2 0.515 110.4 61.7-118.6 -13.6 6.3 50.6 44.7 61 353 A L S < S+ 0 0 0 -4,-1.6 3,-0.3 -3,-0.2 -2,-0.1 -0.226 76.1 104.3-101.6 41.4 7.9 49.1 41.5 62 354 A G + 0 0 20 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.1 0.509 61.0 67.9-101.7 -6.2 10.0 52.3 40.9 63 355 A Q S S+ 0 0 179 -3,-0.4 2,-0.4 6,-0.1 -1,-0.2 0.474 81.4 105.4 -84.0 3.9 13.5 51.4 42.0 64 356 A H > - 0 0 39 -3,-0.3 3,-1.3 1,-0.1 57,-0.0 -0.720 60.1-152.5-110.4 139.5 14.1 48.9 39.2 65 357 A S T 3 S+ 0 0 64 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.719 102.7 47.5 -61.8 -24.2 16.1 48.9 36.0 66 358 A H T 3 S+ 0 0 17 83,-0.1 84,-3.1 54,-0.1 2,-0.4 0.186 101.6 71.6-115.5 21.2 13.6 46.4 34.4 67 359 A V B < S-e 150 0B 1 -3,-1.3 84,-0.2 82,-0.3 -3,-0.1 -1.000 92.9-107.6-129.9 133.7 10.4 48.1 35.3 68 360 A V - 0 0 7 82,-2.4 -4,-0.1 -2,-0.4 2,-0.1 -0.353 42.8-115.5 -53.1 127.0 9.4 51.4 33.6 69 361 A R - 0 0 100 -4,-0.1 16,-3.0 -6,-0.1 2,-0.4 -0.402 22.6-142.2 -68.3 147.1 9.8 54.3 36.3 70 362 A Y E +D 84 0A 53 -12,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.896 21.2 176.2-104.0 137.9 6.7 56.1 37.4 71 363 A F E - 0 0 80 12,-3.2 2,-0.3 -2,-0.4 13,-0.2 0.778 58.9 -25.1-109.8 -45.2 6.9 59.8 38.1 72 364 A S E -D 83 0A 27 11,-1.7 11,-3.7 2,-0.0 -1,-0.4 -0.995 42.1-154.8-162.1 161.9 3.4 60.8 39.0 73 365 A A E +D 82 0A 27 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.995 21.5 165.2-141.3 136.0 -0.3 60.2 38.7 74 366 A W E -D 81 0A 25 7,-2.0 7,-3.3 -2,-0.4 2,-0.4 -0.951 26.2-130.6-144.0 168.6 -3.2 62.7 39.0 75 367 A A E -D 80 0A 53 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.987 22.6-176.0-124.2 129.0 -7.0 63.0 38.3 76 368 A E E > -D 79 0A 40 3,-2.3 3,-1.8 -2,-0.4 2,-0.5 -0.942 54.7 -56.1-165.5 152.2 -8.7 65.9 36.5 77 369 A D T 3 S- 0 0 95 1,-0.3 3,-0.0 -2,-0.3 -2,-0.0 -0.388 121.9 -13.6 -89.0 -12.9 -11.6 66.4 36.0 78 370 A D T 3 S+ 0 0 67 -2,-0.5 -38,-2.6 -40,-0.0 -1,-0.3 0.200 120.7 78.3-129.1 12.2 -13.1 63.4 34.2 79 371 A H E < -CD 39 76A 65 -3,-1.8 -3,-2.3 -40,-0.3 2,-0.5 -0.880 63.1-146.5-119.7 151.7 -9.7 61.8 33.4 80 372 A M E -CD 38 75A 29 -42,-3.8 -42,-2.3 -2,-0.3 2,-0.4 -0.975 22.0-164.1-113.6 129.4 -7.1 59.9 35.2 81 373 A L E -CD 37 74A 1 -7,-3.3 -7,-2.0 -2,-0.5 2,-0.4 -0.905 14.1-171.6-118.3 137.0 -3.4 60.4 34.2 82 374 A I E -CD 36 73A 11 -46,-2.1 -46,-2.0 -2,-0.4 2,-0.7 -0.992 10.6-155.7-121.7 131.6 -0.2 58.5 34.8 83 375 A Q E +CD 35 72A 8 -11,-3.7 -12,-3.2 -2,-0.4 -11,-1.7 -0.897 25.5 168.1-107.5 111.4 3.2 59.9 33.9 84 376 A N E -CD 34 70A 23 -50,-3.0 -50,-2.0 -2,-0.7 -14,-0.2 -0.682 42.2 -73.1-116.7 167.5 5.9 57.3 33.3 85 377 A E E -C 33 0A 44 -16,-3.0 2,-0.5 -2,-0.2 -52,-0.2 -0.286 48.2-125.2 -51.6 137.1 9.4 57.0 31.9 86 378 A Y - 0 0 51 -54,-0.7 2,-0.7 -53,-0.1 -54,-0.1 -0.795 15.9-148.2 -92.5 134.6 9.5 57.3 28.2 87 379 A C > - 0 0 8 -2,-0.5 3,-2.4 1,-0.1 55,-0.3 -0.843 2.0-158.4-107.6 106.7 11.2 54.4 26.3 88 380 A N T 3 S+ 0 0 122 -2,-0.7 55,-0.2 1,-0.3 -1,-0.1 0.640 87.7 56.5 -60.4 -18.6 13.0 55.6 23.2 89 381 A G T 3 S- 0 0 44 53,-2.5 -1,-0.3 1,-0.3 54,-0.2 0.434 99.3-141.3 -95.5 1.6 13.0 52.2 21.5 90 382 A G < - 0 0 30 -3,-2.4 52,-2.5 52,-0.4 -1,-0.3 -0.290 43.1 -22.8 68.6-157.8 9.3 51.7 21.7 91 383 A S B > -F 141 0B 14 50,-0.2 4,-1.7 1,-0.1 50,-0.3 -0.532 45.7-125.5 -96.0 155.8 7.7 48.4 22.5 92 384 A L H > S+ 0 0 0 48,-3.3 4,-2.8 45,-0.7 5,-0.2 0.928 111.4 62.4 -55.8 -43.1 8.8 44.9 22.1 93 385 A A H > S+ 0 0 24 44,-1.6 4,-2.1 47,-0.4 -1,-0.2 0.897 104.4 45.3 -48.5 -49.5 5.6 44.3 20.0 94 386 A D H > S+ 0 0 112 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.843 111.2 51.6 -71.0 -31.5 6.6 46.8 17.3 95 387 A A H X S+ 0 0 28 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.929 110.1 50.8 -66.5 -44.0 10.2 45.5 17.1 96 388 A I H X S+ 0 0 26 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.901 110.2 48.7 -62.3 -39.6 8.8 42.0 16.6 97 389 A S H X S+ 0 0 69 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.869 112.4 48.1 -67.0 -36.3 6.4 43.1 13.8 98 390 A E H X S+ 0 0 32 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.958 112.4 50.2 -64.5 -47.8 9.2 45.0 12.1 99 391 A N H X>S+ 0 0 31 -4,-2.9 5,-2.0 1,-0.2 4,-1.4 0.886 109.2 51.7 -52.2 -44.2 11.3 41.8 12.5 100 392 A Y H <5S+ 0 0 105 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.895 107.5 50.9 -65.4 -42.6 8.5 39.7 11.1 101 393 A R H <5S+ 0 0 188 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.830 116.7 42.6 -67.2 -30.7 8.2 41.9 7.9 102 394 A I H <5S- 0 0 99 -4,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.594 104.2-126.1 -95.1 -8.2 11.9 41.6 7.4 103 395 A M T <5S+ 0 0 149 -4,-1.4 2,-0.3 -3,-0.3 -3,-0.2 0.856 75.4 115.5 68.6 34.0 12.4 37.9 8.1 104 396 A S < + 0 0 61 -5,-2.0 -1,-0.1 -6,-0.1 -2,-0.1 -0.815 43.0 179.4-138.8 98.0 15.1 38.7 10.7 105 397 A Y - 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0 0 21 -3,-2.4 23,-0.1 1,-0.1 3,-0.1 -0.359 38.0-159.5 -55.4 139.7 -5.2 37.4 45.6 162 473 A P S S+ 0 0 120 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.426 81.6 51.4-102.0 -10.0 -8.3 35.2 45.5 163 474 A Q S S+ 0 0 73 18,-0.0 2,-0.3 2,-0.0 -2,-0.0 -0.983 72.5 176.8-123.4 136.7 -9.8 37.3 42.7 164 475 A V - 0 0 24 -2,-0.4 2,-0.5 12,-0.1 15,-0.0 -0.991 29.6-137.3-143.0 134.1 -7.9 38.1 39.5 165 476 A E - 0 0 51 -2,-0.3 2,-0.1 -10,-0.2 -2,-0.0 -0.836 37.8-123.9 -84.4 126.6 -8.4 39.8 36.2 166 477 A E - 0 0 89 -2,-0.5 3,-0.1 1,-0.1 -32,-0.1 -0.404 16.6-132.2 -68.1 141.9 -6.8 37.7 33.3 167 478 A G - 0 0 9 -34,-0.3 -33,-0.2 1,-0.2 5,-0.1 -0.141 58.5 -41.1 -77.1-173.0 -4.2 39.0 31.0 168 479 A D > - 0 0 30 1,-0.1 3,-1.8 3,-0.1 4,-0.4 -0.163 54.4-130.9 -51.5 134.7 -4.4 38.6 27.2 169 480 A S G > S+ 0 0 44 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.801 102.9 69.0 -64.5 -27.6 -5.5 35.1 26.3 170 481 A R G 3 S+ 0 0 54 1,-0.2 -1,-0.3 35,-0.1 -2,-0.1 0.801 113.1 31.2 -56.2 -23.9 -2.7 34.6 23.8 171 482 A F G < S+ 0 0 7 -3,-1.8 2,-0.4 34,-0.1 -1,-0.2 0.325 91.9 123.6-120.5 10.6 -0.3 34.6 26.9 172 483 A L < - 0 0 9 -3,-1.0 16,-0.1 -4,-0.4 15,-0.0 -0.597 56.3-133.2 -91.1 124.7 -2.5 33.1 29.5 173 484 A A > - 0 0 0 -2,-0.4 4,-1.6 1,-0.1 3,-0.1 -0.374 21.4-125.8 -69.5 152.7 -1.6 29.9 31.4 174 485 A N H > S+ 0 0 50 2,-0.2 4,-2.8 1,-0.2 6,-0.2 0.881 105.5 62.7 -66.1 -40.2 -4.4 27.5 31.7 175 486 A E H 4>S+ 0 0 20 1,-0.2 5,-3.0 2,-0.2 -1,-0.2 0.898 106.7 47.5 -59.7 -33.4 -4.4 27.1 35.4 176 487 A V H >45S+ 0 0 0 1,-0.2 3,-2.2 3,-0.2 -1,-0.2 0.953 108.2 53.4 -68.1 -49.8 -5.3 30.8 35.6 177 488 A L H 3<5S+ 0 0 65 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.875 107.0 54.6 -46.9 -38.8 -8.0 30.4 33.0 178 489 A Q T 3<5S- 0 0 120 -4,-2.8 -1,-0.3 2,-0.1 -2,-0.2 0.115 121.1-111.5 -86.3 25.1 -9.4 27.6 35.3 179 490 A E T < 5S+ 0 0 145 -3,-2.2 2,-0.7 1,-0.2 -3,-0.2 0.775 70.9 143.8 47.8 32.7 -9.5 30.0 38.2 180 491 A N < + 0 0 79 -5,-3.0 3,-0.3 -6,-0.2 -1,-0.2 -0.868 19.5 171.8 -98.2 109.3 -6.6 28.2 40.0 181 492 A Y + 0 0 46 -2,-0.7 3,-0.5 1,-0.2 -1,-0.1 -0.001 39.4 111.2-113.0 32.5 -4.5 30.9 41.7 182 493 A T S S+ 0 0 96 1,-0.2 2,-0.2 2,-0.1 -1,-0.2 0.776 90.5 27.3 -67.4 -31.1 -2.0 28.8 43.9 183 494 A H + 0 0 51 -3,-0.3 3,-0.4 1,-0.1 4,-0.4 -0.526 67.8 153.5-137.5 67.1 1.1 29.7 41.8 184 495 A L >> + 0 0 1 -3,-0.5 3,-2.1 -25,-0.4 4,-1.0 0.850 69.4 66.1 -68.0 -38.0 0.5 33.1 40.2 185 496 A P H >> S+ 0 0 23 0, 0.0 4,-1.2 0, 0.0 3,-0.9 0.899 98.2 57.6 -51.6 -36.5 4.2 34.0 39.9 186 497 A K H 3> S+ 0 0 35 -3,-0.4 4,-2.5 1,-0.3 -2,-0.2 0.705 92.3 67.3 -70.6 -18.3 4.3 31.1 37.5 187 498 A A H <> S+ 0 0 8 -3,-2.1 4,-2.3 -4,-0.4 -1,-0.3 0.874 102.3 48.0 -62.5 -36.9 1.7 32.7 35.2 188 499 A D H S+ 0 0 0 -4,-2.8 5,-1.5 2,-0.2 4,-0.6 0.921 109.0 47.3 -53.9 -47.7 8.8 32.7 21.5 198 509 A C H ><5S+ 0 0 15 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.925 108.1 56.3 -57.4 -47.2 7.2 35.7 19.7 199 510 A A H 3<5S+ 0 0 1 -4,-2.4 -93,-1.8 1,-0.3 -1,-0.2 0.830 100.7 59.3 -55.3 -32.9 10.6 37.4 19.9 200 511 A A H 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -3,-0.2 -95,-0.2 0.635 127.4 -93.2 -76.7 -16.6 12.1 34.4 18.1 201 512 A G T <<5 + 0 0 7 -3,-1.5 -3,-0.2 -4,-0.6 -2,-0.1 0.540 68.0 156.3 121.6 15.9 9.9 34.8 15.0 202 513 A A < - 0 0 8 -5,-1.5 -1,-0.2 1,-0.1 21,-0.1 -0.228 50.7 -92.5 -60.7 153.1 6.9 32.6 15.7 203 514 A E - 0 0 114 19,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.270 63.6 -69.0 -50.4 152.5 3.5 33.2 14.0 204 515 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.213 65.3-107.4 -43.7 134.2 1.0 35.4 15.9 205 516 A L - 0 0 10 -3,-0.1 2,-0.2 1,-0.1 -35,-0.1 -0.426 34.3-108.6 -73.0 149.9 -0.2 33.4 18.9 206 517 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.464 15.3-153.7 -85.1 150.9 -3.6 31.9 18.9 207 518 A R S S- 0 0 141 -2,-0.2 2,-0.3 1,-0.1 -2,-0.0 0.733 70.2 -25.5 -93.0 -30.5 -6.4 33.2 21.1 208 519 A N S > S+ 0 0 127 -38,-0.0 4,-0.5 0, 0.0 3,-0.2 -0.877 90.0 72.7-162.7-169.3 -8.5 30.1 21.3 209 520 A G H >> S- 0 0 42 -2,-0.3 3,-1.3 1,-0.2 4,-1.3 -0.068 98.3 -35.3 76.6-178.4 -9.3 26.9 19.5 210 521 A D H 3> S+ 0 0 94 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.818 134.9 50.8 -48.4 -48.9 -7.3 23.7 19.1 211 522 A Q H 3> S+ 0 0 62 -3,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.752 103.4 60.9 -65.4 -27.4 -3.8 25.5 18.8 212 523 A W H <>S+ 0 0 50 -4,-1.7 3,-1.4 1,-0.3 5,-1.1 0.944 106.1 46.3 -49.5 -53.9 -1.7 22.4 22.3 215 526 A I H ><5S+ 0 0 11 -4,-1.4 3,-2.2 1,-0.3 -1,-0.3 0.860 106.6 57.9 -57.4 -36.5 0.6 25.0 23.7 216 527 A R H 3<5S+ 0 0 8 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.694 95.8 63.9 -76.6 -15.3 -1.1 24.8 27.1 217 528 A Q T <<5S- 0 0 137 -3,-1.4 -1,-0.3 -4,-1.1 -2,-0.2 0.386 130.8 -99.0 -70.4 -6.0 -0.1 21.0 27.0 218 529 A G T < 5S+ 0 0 10 -3,-2.2 2,-0.5 1,-0.3 -3,-0.2 0.760 78.7 142.0 87.4 26.5 3.4 22.4 27.1 219 530 A R < - 0 0 49 -5,-1.1 -1,-0.3 20,-0.1 -2,-0.1 -0.875 48.2-128.2-100.8 120.6 4.2 22.2 23.3 220 531 A L - 0 0 42 -2,-0.5 3,-0.1 1,-0.1 2,-0.1 -0.462 22.0-114.4 -66.8 139.0 6.2 25.1 21.9 221 532 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 -0.390 51.2 -78.5 -58.7 146.1 5.0 26.9 18.8 222 533 A R - 0 0 190 -2,-0.1 -19,-0.4 1,-0.1 -21,-0.0 -0.272 46.6-154.7 -45.0 127.5 7.1 26.5 15.7 223 534 A I - 0 0 31 -21,-0.1 2,-0.6 2,-0.1 4,-0.1 -0.974 11.8-140.0-110.3 119.7 10.2 28.8 16.0 224 535 A P S S+ 0 0 33 0, 0.0 2,-0.3 0, 0.0 -119,-0.1 0.161 75.5 57.7 -74.5 22.9 11.6 29.7 12.6 225 536 A Q S S- 0 0 41 -2,-0.6 2,-0.8 -118,-0.0 -2,-0.1 -0.996 89.3 -93.1-149.2 163.2 15.2 29.4 13.7 226 537 A V + 0 0 140 -2,-0.3 2,-0.4 3,-0.0 -118,-0.2 -0.607 42.6 176.8 -74.2 108.9 17.8 27.2 15.2 227 538 A L - 0 0 17 -2,-0.8 -4,-0.0 -4,-0.1 5,-0.0 -0.884 39.5 -96.8-105.3 142.9 17.9 27.6 19.0 228 539 A S > - 0 0 39 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.118 32.5-119.0 -50.9 154.7 20.3 25.4 21.1 229 540 A Q H > S+ 0 0 146 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.887 113.3 55.1 -69.0 -35.5 18.5 22.4 22.7 230 541 A E H > S+ 0 0 111 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.950 109.7 44.8 -62.7 -48.4 19.3 23.6 26.2 231 542 A F H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.948 112.5 51.3 -64.1 -43.8 17.6 26.9 25.5 232 543 A T H X S+ 0 0 47 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.894 109.5 52.2 -56.7 -39.9 14.6 25.3 23.9 233 544 A E H X S+ 0 0 115 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.943 107.6 50.5 -62.8 -44.8 14.4 23.0 27.0 234 545 A L H X S+ 0 0 3 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.956 112.0 49.4 -55.1 -49.3 14.4 26.1 29.3 235 546 A L H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 3,-0.3 0.899 110.8 49.1 -54.4 -45.7 11.7 27.5 27.1 236 547 A K H >< S+ 0 0 107 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.853 108.4 50.9 -66.3 -38.6 9.6 24.3 27.2 237 548 A V H >< S+ 0 0 32 -4,-2.3 3,-1.0 1,-0.3 -1,-0.3 0.722 102.7 63.9 -74.3 -18.9 9.8 23.9 31.0 238 549 A M H 3< S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.742 107.9 40.5 -78.1 -19.7 8.6 27.5 31.2 239 550 A I T << S+ 0 0 0 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.090 84.6 145.6-111.2 23.9 5.4 26.5 29.6 240 551 A H < - 0 0 58 -3,-1.0 -22,-0.2 1,-0.1 6,-0.1 -0.326 56.4-128.2 -62.1 136.7 5.0 23.2 31.5 241 552 A P S S+ 0 0 60 0, 0.0 -66,-0.2 0, 0.0 -1,-0.1 0.851 99.8 71.8 -55.4 -34.0 1.3 22.3 32.3 242 553 A D S > S- 0 0 66 1,-0.2 3,-2.9 2,-0.0 4,-0.5 -0.703 74.2-159.6 -82.6 99.1 2.3 21.9 35.9 243 554 A P G > S+ 0 0 17 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.764 89.6 62.2 -53.2 -25.0 3.0 25.4 37.1 244 555 A E G 3 S+ 0 0 125 1,-0.3 4,-0.1 -3,-0.1 -2,-0.0 0.764 97.1 59.6 -72.2 -23.5 5.1 24.1 40.0 245 556 A R G < S+ 0 0 138 -3,-2.9 -1,-0.3 -5,-0.1 -6,-0.1 0.532 87.0 89.9 -77.8 -11.7 7.5 22.6 37.4 246 557 A R S < S- 0 0 5 -3,-1.1 2,-0.2 -4,-0.5 -8,-0.2 -0.613 88.2-107.3 -85.4 149.8 8.2 26.1 35.9 247 558 A P - 0 0 23 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.515 28.9-114.5 -81.9 144.5 11.2 27.9 37.4 248 559 A S > - 0 0 48 -2,-0.2 4,-3.0 1,-0.1 5,-0.1 -0.148 34.9-103.4 -56.3 170.1 10.6 30.8 39.7 249 560 A A H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.925 126.2 54.6 -64.2 -37.8 11.9 34.1 38.4 250 561 A M H > S+ 0 0 110 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.938 109.5 44.7 -60.8 -45.3 14.8 33.7 40.8 251 562 A A H >4 S+ 0 0 39 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.943 110.9 59.0 -61.1 -45.7 15.6 30.3 39.4 252 563 A L H >< S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.3 -2,-0.2 0.875 106.4 42.9 -48.9 -52.3 15.2 31.8 35.9 253 564 A V H 3< S+ 0 0 16 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.706 115.7 49.6 -77.2 -15.8 17.9 34.5 36.3 254 565 A K T << S+ 0 0 158 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.292 83.0 126.1 -96.6 6.6 20.3 32.0 38.0 255 566 A H X - 0 0 63 -3,-1.1 3,-1.9 -4,-0.4 4,-0.4 -0.437 65.2-132.1 -71.1 136.5 19.8 29.4 35.2 256 567 A S G > S+ 0 0 98 1,-0.3 3,-2.5 2,-0.2 -1,-0.1 0.893 106.0 62.7 -56.8 -41.8 23.1 28.2 33.6 257 568 A V G 3 S+ 0 0 22 1,-0.3 -1,-0.3 2,-0.1 -26,-0.1 0.743 103.4 52.9 -53.9 -25.9 21.7 28.7 30.1 258 569 A L G < 0 0 18 -3,-1.9 -1,-0.3 -6,-0.2 -2,-0.2 0.479 360.0 360.0 -93.7 -1.7 21.4 32.4 31.0 259 570 A L < 0 0 131 -3,-2.5 -2,-0.1 -4,-0.4 -3,-0.1 0.820 360.0 360.0 -90.6 360.0 25.1 32.7 32.2