==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE ACTIVATOR/PROTEIN TRANSPORT 26-MAR-13 4JVS . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA DRANCOURTII; . AUTHOR Q.YU,Q.YAO,D.-C.WANG,F.SHAO . 449 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 36 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 2 0 1 3 2 1 0 1 1 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 1 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 PARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 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 . 2 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 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 1 331 A A 0 0 94 0, 0.0 30,-0.2 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 136.8 61.8 -30.3 2.9 2 332 A T - 0 0 119 28,-0.1 28,-0.1 1,-0.0 30,-0.0 -0.679 360.0-132.4 -87.8 115.9 60.2 -26.9 3.7 3 333 A P - 0 0 38 0, 0.0 30,-0.2 0, 0.0 2,-0.1 -0.448 27.9-122.7 -61.9 126.7 56.4 -26.9 4.0 4 334 A P - 0 0 14 0, 0.0 30,-2.2 0, 0.0 2,-0.6 -0.356 18.5-120.3 -73.5 155.2 54.9 -23.9 1.9 5 335 A L B -a 34 0A 33 28,-0.2 2,-0.4 -2,-0.1 30,-0.1 -0.864 16.6-138.3-103.5 114.6 52.7 -21.3 3.6 6 336 A L - 0 0 1 28,-1.4 2,-0.3 -2,-0.6 31,-0.3 -0.581 29.9-176.6 -70.5 124.0 49.2 -20.8 2.2 7 337 A Q - 0 0 112 -2,-0.4 2,-0.5 10,-0.1 31,-0.1 -0.932 24.3-125.4-125.7 149.5 48.5 -17.1 2.0 8 338 A M - 0 0 59 29,-0.4 35,-0.0 -2,-0.3 -2,-0.0 -0.834 36.3-116.9-105.8 128.8 45.4 -15.2 1.0 9 339 A E - 0 0 55 -2,-0.5 -1,-0.1 3,-0.1 8,-0.0 0.077 20.2-101.9 -78.3 167.7 45.8 -12.6 -1.7 10 340 A Q S S- 0 0 181 1,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.866 103.3 -36.4 -59.2 -46.2 45.5 -8.9 -1.9 11 341 A E S S+ 0 0 161 2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.155 95.4 150.4-153.2 21.0 42.1 -9.1 -3.5 12 342 A Q - 0 0 92 1,-0.1 -3,-0.1 2,-0.1 34,-0.0 -0.290 44.8-112.5 -66.9 144.8 42.6 -12.1 -5.7 13 343 A P > - 0 0 73 0, 0.0 4,-1.9 0, 0.0 3,-0.3 -0.162 30.0-100.2 -71.8 161.1 39.6 -14.3 -6.6 14 344 A F H > S+ 0 0 0 32,-0.6 4,-2.6 1,-0.2 5,-0.2 0.874 118.8 52.9 -51.0 -45.9 39.1 -17.9 -5.5 15 345 A P H > S+ 0 0 12 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.896 111.2 45.5 -62.6 -42.1 40.3 -19.5 -8.7 16 346 A E H > S+ 0 0 72 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.845 110.7 54.8 -65.8 -36.9 43.5 -17.6 -8.7 17 347 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.946 110.7 44.5 -61.8 -46.0 44.0 -18.4 -5.1 18 348 A I H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.925 110.3 53.7 -65.6 -43.6 43.6 -22.1 -5.8 19 349 A R H X S+ 0 0 134 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.938 111.1 48.8 -52.2 -49.5 45.8 -22.0 -8.8 20 350 A T H X S+ 0 0 34 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.938 113.8 44.2 -54.7 -53.8 48.5 -20.4 -6.6 21 351 A W H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.906 110.0 53.8 -64.6 -42.9 48.1 -22.9 -3.8 22 352 A A H X S+ 0 0 21 -4,-3.1 4,-0.7 1,-0.2 -1,-0.2 0.852 109.4 51.5 -59.3 -33.9 48.1 -26.0 -6.1 23 353 A G H >< S+ 0 0 45 -4,-1.7 3,-0.5 -5,-0.3 4,-0.3 0.927 109.6 47.6 -67.3 -47.4 51.3 -24.7 -7.5 24 354 A L H 3< S+ 0 0 57 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.824 115.2 46.0 -62.0 -35.6 53.0 -24.3 -4.1 25 355 A L H 3< S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.599 105.8 59.5 -86.9 -10.0 51.9 -27.7 -3.1 26 356 A G S << S+ 0 0 62 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.431 81.3 114.0 -93.9 -1.9 52.9 -29.4 -6.3 27 357 A Q S > S- 0 0 113 -3,-0.5 3,-0.9 -4,-0.3 2,-0.1 -0.287 80.2 -82.3 -71.6 158.9 56.4 -28.3 -5.8 28 358 A I T 3 S+ 0 0 164 1,-0.2 -1,-0.1 -27,-0.0 -2,-0.1 -0.371 102.9 8.1 -73.1 137.9 58.9 -30.9 -5.3 29 359 A G T 3 S+ 0 0 45 1,-0.3 -1,-0.2 -2,-0.1 2,-0.1 0.212 81.6 141.9 88.4 -15.9 59.6 -32.5 -1.9 30 360 A V < + 0 0 23 -3,-0.9 -1,-0.3 1,-0.1 3,-0.1 -0.372 13.4 161.7 -68.6 136.3 56.7 -31.0 -0.0 31 361 A E + 0 0 140 -30,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.248 63.5 25.4-139.7 6.2 55.0 -33.4 2.5 32 362 A S - 0 0 47 136,-0.1 2,-0.3 133,-0.1 -1,-0.0 -0.864 65.9-142.4-149.2-168.8 53.1 -31.0 4.7 33 363 A V - 0 0 15 -2,-0.2 2,-0.8 133,-0.2 -28,-0.2 -0.985 14.5-126.8-160.8 147.9 51.6 -27.4 4.7 34 364 A R B +a 5 0A 92 -30,-2.2 -28,-1.4 -2,-0.3 3,-0.4 -0.828 29.3 164.9-106.9 100.2 51.1 -24.3 6.9 35 365 A T > + 0 0 2 -2,-0.8 3,-1.1 1,-0.2 -1,-0.1 0.156 46.0 108.4 -96.7 17.1 47.5 -23.3 7.1 36 366 A E T 3 S+ 0 0 124 1,-0.2 -1,-0.2 3,-0.1 -31,-0.0 0.834 78.5 46.4 -65.3 -35.4 48.1 -21.0 10.1 37 367 A E T 3 S+ 0 0 119 -3,-0.4 2,-0.5 -31,-0.3 -29,-0.4 0.329 87.0 110.6 -94.6 9.1 47.7 -17.8 8.2 38 368 A V < - 0 0 8 -3,-1.1 2,-0.8 -31,-0.1 3,-0.1 -0.734 57.7-152.1 -85.4 122.5 44.5 -18.9 6.4 39 369 A N > - 0 0 82 -2,-0.5 4,-2.4 1,-0.2 3,-0.4 -0.845 4.2-163.0 -94.8 105.7 41.4 -17.0 7.5 40 370 A F H > S+ 0 0 24 -2,-0.8 4,-2.4 1,-0.3 -1,-0.2 0.836 88.1 55.0 -62.3 -36.6 38.5 -19.5 7.0 41 371 A G H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.898 112.3 43.5 -57.9 -43.9 35.9 -16.8 7.2 42 372 A Q H > S+ 0 0 99 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.843 110.9 55.0 -71.6 -32.6 37.6 -14.8 4.5 43 373 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.909 108.8 49.3 -65.7 -39.7 38.2 -18.0 2.4 44 374 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 64,-0.3 0.922 110.4 48.0 -66.1 -45.8 34.5 -18.6 2.6 45 375 A K H X S+ 0 0 95 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.932 112.1 52.9 -55.7 -43.0 33.5 -15.1 1.5 46 376 A C H X S+ 0 0 20 -4,-2.3 4,-1.4 1,-0.2 -32,-0.6 0.902 112.9 41.3 -61.9 -45.5 36.1 -15.5 -1.3 47 377 A F H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.904 113.5 54.3 -68.2 -41.3 34.5 -18.8 -2.5 48 378 A N H X S+ 0 0 12 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.867 104.7 53.9 -61.8 -37.6 31.0 -17.4 -2.1 49 379 A D H X S+ 0 0 99 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.927 111.0 47.0 -60.8 -43.7 31.8 -14.4 -4.2 50 380 A Y H X S+ 0 0 22 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.924 110.5 50.6 -65.2 -47.5 33.0 -16.7 -7.0 51 381 A L H X S+ 0 0 6 -4,-2.7 4,-3.5 1,-0.2 5,-0.3 0.901 109.8 52.7 -52.5 -45.7 29.9 -18.9 -6.6 52 382 A N H X S+ 0 0 54 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.917 108.4 49.2 -58.5 -45.4 27.8 -15.8 -6.9 53 383 A T H X S+ 0 0 92 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.894 115.5 44.5 -58.5 -44.1 29.6 -14.8 -10.1 54 384 A V H X S+ 0 0 7 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.960 113.7 48.0 -66.3 -52.8 29.0 -18.3 -11.5 55 385 A A H X S+ 0 0 0 -4,-3.5 4,-1.6 1,-0.2 -2,-0.2 0.864 113.5 49.7 -57.8 -36.9 25.4 -18.4 -10.4 56 386 A E H X S+ 0 0 78 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.919 109.7 50.6 -66.0 -41.3 24.9 -14.9 -11.9 57 387 A H H X S+ 0 0 73 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.906 107.6 53.8 -64.9 -41.7 26.5 -16.0 -15.2 58 388 A C H <>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 6,-0.5 0.902 110.6 47.3 -57.4 -44.3 24.2 -19.1 -15.4 59 389 A E H <5S+ 0 0 45 -4,-1.6 3,-0.4 3,-0.2 138,-0.3 0.901 108.5 53.1 -64.5 -42.6 21.2 -16.9 -15.0 60 390 A Q H <5S+ 0 0 71 -4,-2.2 137,-0.3 1,-0.3 -1,-0.2 0.876 116.5 36.9 -63.6 -40.2 22.1 -14.3 -17.5 61 391 A Q T <5S- 0 0 61 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.462 107.3-127.1 -89.0 -6.4 22.7 -16.8 -20.3 62 392 A N T > 5 + 0 0 59 -4,-0.4 3,-1.4 -3,-0.4 -3,-0.2 0.974 41.2 171.8 53.5 58.9 19.9 -18.8 -19.1 63 393 A I T 3 - 0 0 131 -2,-0.4 3,-1.4 -3,-0.1 -1,-0.1 -0.551 16.2-125.7 -74.0 142.7 11.0 -20.9 -20.9 68 398 A R T 3 S+ 0 0 179 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.753 104.1 58.0 -63.1 -22.8 9.6 -17.5 -20.2 69 399 A E T 3 S+ 0 0 160 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.384 85.6 88.1 -98.4 1.7 6.0 -18.8 -19.6 70 400 A E < - 0 0 82 -3,-1.4 136,-0.2 1,-0.1 -4,-0.0 -0.815 56.3-161.3 -95.2 141.3 6.8 -21.2 -16.8 71 401 A N + 0 0 53 -2,-0.4 2,-0.3 134,-0.1 134,-0.3 0.098 69.7 76.9-101.6 20.6 6.7 -19.8 -13.2 72 402 A H S S- 0 0 53 132,-0.1 23,-0.2 23,-0.1 -2,-0.1 -0.968 76.1-121.0-136.0 145.9 8.7 -22.8 -12.0 73 403 A N > - 0 0 1 21,-1.6 3,-1.1 -2,-0.3 24,-0.1 -0.207 43.5 -99.1 -70.0 173.6 12.2 -24.1 -11.9 74 404 A F T 3 S+ 0 0 50 1,-0.2 3,-0.3 2,-0.1 -1,-0.1 0.358 110.3 79.3 -84.0 9.8 13.0 -27.4 -13.5 75 405 A F T > + 0 0 0 1,-0.2 3,-2.7 19,-0.2 -1,-0.2 0.618 64.2 94.0 -86.5 -14.7 13.0 -29.3 -10.2 76 406 A T G X S+ 0 0 49 -3,-1.1 3,-1.7 1,-0.3 -1,-0.2 0.796 75.8 62.3 -49.4 -38.5 9.2 -29.5 -10.1 77 407 A A G 3 S+ 0 0 87 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.673 103.8 50.9 -60.3 -21.6 9.1 -33.0 -11.7 78 408 A F G < S+ 0 0 39 -3,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.104 101.7 71.9-107.5 21.1 11.0 -34.3 -8.7 79 409 A K < + 0 0 44 -3,-1.7 2,-0.3 2,-0.1 -1,-0.2 -0.685 50.7 137.2-155.8 100.1 8.8 -33.0 -6.0 80 410 A P + 0 0 107 0, 0.0 3,-0.0 0, 0.0 0, 0.0 -0.760 58.6 62.1-128.5 176.5 5.5 -33.7 -4.6 81 411 A D S S- 0 0 164 -2,-0.3 -2,-0.1 0, 0.0 3,-0.0 -0.956 77.9-164.4 -45.7 -25.6 3.8 -34.1 -2.1 82 412 A A - 0 0 35 1,-0.1 12,-0.1 38,-0.1 -3,-0.0 0.995 11.5-149.1 56.5 68.1 5.1 -30.5 -2.0 83 413 A S - 0 0 73 1,-0.1 9,-0.5 2,-0.0 -1,-0.1 -0.370 7.5-147.0 -52.5 143.3 4.2 -30.0 1.6 84 414 A K S S+ 0 0 100 7,-0.1 135,-0.5 2,-0.1 134,-0.2 0.273 70.5 96.2-100.5 9.2 3.4 -26.3 2.2 85 415 A A S S- 0 0 52 133,-0.1 7,-0.5 1,-0.1 2,-0.2 -0.503 87.0 -88.5 -92.8 165.7 4.8 -26.4 5.7 86 416 A A E -B 91 0B 27 -2,-0.2 2,-0.5 5,-0.2 5,-0.3 -0.537 31.1-158.9 -77.8 140.6 8.4 -25.4 6.7 87 417 A L E > S-B 90 0B 77 3,-3.7 3,-0.8 -2,-0.2 32,-0.4 -0.910 80.0 -26.8-122.6 101.3 11.2 -28.0 6.5 88 418 A H T 3 S- 0 0 44 -2,-0.5 31,-0.2 1,-0.2 -1,-0.1 0.891 133.0 -42.4 53.8 42.4 14.1 -26.9 8.7 89 419 A G T 3 S+ 0 0 1 169,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.293 124.2 82.4 92.8 -2.8 13.0 -23.3 8.2 90 420 A H E < -B 87 0B 13 -3,-0.8 -3,-3.7 -5,-0.1 2,-0.3 -0.947 60.1-146.4-129.0 150.4 12.2 -23.1 4.6 91 421 A A E -B 86 0B 1 -2,-0.3 2,-0.3 127,-0.3 -5,-0.2 -0.838 34.2 -96.8-114.3 152.1 9.1 -24.1 2.7 92 422 A Y - 0 0 13 -9,-0.5 2,-0.5 -7,-0.5 130,-0.1 -0.549 40.0-178.0 -71.0 128.6 9.0 -25.4 -0.8 93 423 A I > - 0 0 0 -2,-0.3 3,-0.9 1,-0.1 -11,-0.0 -0.999 17.8-157.4-123.6 124.8 8.4 -22.7 -3.2 94 424 A A T 3 S+ 0 0 24 -2,-0.5 -21,-1.6 1,-0.2 -18,-0.2 0.655 86.8 69.9 -77.2 -11.9 8.2 -24.0 -6.7 95 425 A H T 3 + 0 0 12 -23,-0.2 110,-2.2 110,-0.1 -1,-0.2 0.312 66.2 129.2 -92.7 8.0 9.0 -20.5 -8.0 96 426 A Y B < -C 204 0C 0 -3,-0.9 2,-0.3 108,-0.2 -23,-0.3 -0.381 62.0-120.2 -62.1 137.5 12.6 -20.5 -6.9 97 427 A K >> - 0 0 15 106,-2.3 4,-1.9 1,-0.1 3,-1.2 -0.636 20.3-122.6 -77.8 140.6 15.1 -19.5 -9.6 98 428 A E H 3> S+ 0 0 2 -2,-0.3 4,-3.2 1,-0.3 5,-0.2 0.870 110.1 54.4 -51.3 -45.8 17.7 -22.2 -10.3 99 429 A S H 3> S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.757 107.1 51.7 -63.4 -25.9 20.7 -20.0 -9.6 100 430 A V H <> S+ 0 0 6 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.925 110.7 46.9 -74.4 -46.4 19.2 -19.1 -6.2 101 431 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.960 111.7 52.7 -53.6 -52.7 18.8 -22.8 -5.3 102 432 A L H < S+ 0 0 0 -4,-3.2 4,-0.4 1,-0.3 -2,-0.2 0.913 111.3 45.9 -51.9 -47.4 22.4 -23.3 -6.6 103 433 A R H >X S+ 0 0 41 -4,-1.9 4,-1.3 1,-0.2 3,-0.6 0.845 112.5 51.7 -62.1 -36.9 23.6 -20.6 -4.3 104 434 A H H 3< S+ 0 0 43 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.908 109.5 46.8 -68.0 -42.3 21.7 -21.9 -1.4 105 435 A L T 3< S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.407 124.3 31.3 -82.5 0.3 22.9 -25.5 -1.6 106 436 A S T <4 S+ 0 0 0 -3,-0.6 2,-0.3 -4,-0.4 -1,-0.2 0.458 81.5 114.5-141.1 -4.1 26.5 -24.5 -1.9 107 437 A I < - 0 0 48 -4,-1.3 2,-0.6 9,-0.1 9,-0.4 -0.588 57.6-137.0 -77.6 130.7 27.3 -21.3 -0.1 108 438 A V - 0 0 2 -2,-0.3 7,-0.2 -64,-0.3 -60,-0.2 -0.796 17.0-125.5 -92.2 119.6 29.7 -21.7 2.9 109 439 A D > - 0 0 18 5,-3.4 4,-2.9 -2,-0.6 5,-0.2 -0.492 12.6-148.6 -64.9 116.1 28.6 -19.7 5.9 110 440 A P T 4 S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 -66,-0.1 0.858 93.8 46.0 -56.9 -33.2 31.6 -17.6 6.9 111 441 A K T 4 S+ 0 0 155 1,-0.1 -70,-0.1 -70,-0.1 -2,-0.0 0.951 128.4 18.5 -75.8 -51.3 30.7 -17.8 10.6 112 442 A T T 4 S- 0 0 67 2,-0.1 -1,-0.1 -71,-0.1 3,-0.1 0.624 89.3-132.0 -97.1 -15.0 29.9 -21.5 11.1 113 443 A L S < S+ 0 0 29 -4,-2.9 207,-0.3 1,-0.3 2,-0.2 0.717 76.9 97.1 63.2 23.0 31.7 -23.0 8.0 114 444 A G S S- 0 0 5 -5,-0.2 -5,-3.4 205,-0.1 2,-0.4 -0.509 83.4 -89.1-114.3-168.4 28.6 -25.0 7.3 115 445 A M E 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565 A F H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 4,-0.2 0.821 113.2 48.2 -59.1 -32.1 12.6 -13.8 4.3 226 566 A E H >< S+ 0 0 4 -4,-1.3 3,-1.7 -5,-0.2 -2,-0.2 0.909 106.0 55.4 -76.1 -44.1 14.1 -14.4 0.9 227 567 A E H >< S+ 0 0 2 -4,-2.7 3,-2.1 1,-0.3 -2,-0.2 0.810 94.8 68.3 -61.2 -32.5 13.2 -11.0 -0.6 228 568 A L T 3< S+ 0 0 21 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.666 84.0 72.7 -62.7 -17.3 15.0 -9.2 2.3 229 569 A N T < S+ 0 0 79 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.629 84.9 86.5 -67.5 -14.5 18.3 -10.5 0.8 230 570 A A S < S- 0 0 12 -3,-2.1 4,-0.1 -4,-0.2 -27,-0.0 -0.702 81.9-133.3 -92.6 144.2 17.7 -8.0 -1.9 231 571 A P S S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.609 90.0 47.4 -73.4 -14.1 18.9 -4.3 -1.5 232 572 A H S S- 0 0 141 -5,-0.2 -2,-0.1 0, 0.0 -3,-0.0 -0.963 97.6 -96.9-129.8 144.7 15.6 -2.9 -2.8 233 573 A P - 0 0 72 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 -0.337 46.5-131.5 -59.9 139.7 12.0 -3.7 -1.8 234 574 A S > - 0 0 15 1,-0.1 4,-1.4 -4,-0.1 5,-0.1 -0.509 13.2-127.0 -93.5 161.3 10.5 -6.1 -4.3 235 575 A R H > S+ 0 0 166 -35,-0.2 4,-1.8 2,-0.2 -34,-0.1 0.862 113.6 52.3 -66.6 -37.8 7.2 -6.1 -6.1 236 576 A L H > S+ 0 0 2 -36,-0.2 4,-1.6 2,-0.2 5,-0.1 0.948 110.8 42.8 -65.1 -51.0 6.6 -9.6 -4.8 237 577 A I H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.828 115.2 51.2 -68.5 -32.1 7.3 -8.8 -1.1 238 578 A M H X S+ 0 0 38 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.841 106.1 56.0 -66.8 -36.3 5.2 -5.7 -1.4 239 579 A R H < S+ 0 0 53 -4,-1.8 -2,-0.2 2,-0.2 4,-0.2 0.868 111.5 43.2 -61.2 -40.1 2.4 -7.6 -2.9 240 580 A I H >< S+ 0 0 0 -4,-1.6 3,-0.9 1,-0.2 7,-0.2 0.899 116.1 44.6 -75.4 -45.2 2.4 -9.9 0.1 241 581 A L H >< S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.737 109.5 58.0 -73.9 -22.5 2.7 -7.3 2.8 242 582 A K T 3< S+ 0 0 126 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.570 90.6 82.9 -78.3 -11.2 0.1 -5.1 1.1 243 583 A S T X - 0 0 25 -3,-0.9 2,-4.6 -4,-0.2 3,-0.8 0.302 66.0-159.2 -97.1 1.3 -2.5 -7.8 1.2 244 584 A D T <> S+ 0 0 108 -3,-0.5 4,-0.7 1,-0.3 -1,-0.1 -0.063 94.4 48.2 67.7 -63.3 -4.2 -7.8 4.6 245 585 A S H 3> S+ 0 0 63 -2,-4.6 4,-1.1 2,-0.2 -1,-0.3 0.856 114.7 44.2 -71.8 -45.5 -5.3 -11.4 4.0 246 586 A L H <> S+ 0 0 4 -3,-0.8 4,-2.0 1,-0.2 3,-0.2 0.880 110.6 56.5 -64.5 -41.7 -1.8 -12.6 2.9 247 587 A W H > S+ 0 0 37 1,-0.2 4,-3.2 -7,-0.2 -1,-0.2 0.844 100.2 59.6 -61.8 -32.3 -0.2 -10.6 5.8 248 588 A Q H X S+ 0 0 124 -4,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.906 107.9 43.9 -62.8 -44.5 -2.4 -12.5 8.3 249 589 A E H X S+ 0 0 78 -4,-1.1 4,-0.8 -3,-0.2 -1,-0.2 0.860 114.2 50.9 -66.5 -38.8 -0.9 -15.7 7.2 250 590 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-0.2 0.887 109.1 51.6 -64.8 -41.2 2.5 -14.2 7.2 251 591 A D H X S+ 0 0 59 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.896 109.1 46.8 -65.2 -43.9 2.1 -12.8 10.7 252 592 A D H < S+ 0 0 103 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.655 113.2 50.4 -81.3 -10.1 1.0 -16.1 12.3 253 593 A S H >< S+ 0 0 10 -4,-0.8 3,-1.6 -3,-0.2 5,-0.3 0.829 108.3 51.5 -83.6 -40.4 3.8 -18.0 10.6 254 594 A L H 3< S+ 0 0 6 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.846 108.9 53.5 -58.7 -34.3 6.3 -15.3 11.8 255 595 A N T 3< S+ 0 0 114 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.1 0.007 100.2 85.1 -90.4 26.1 4.9 -15.9 15.3 256 596 A G S < S- 0 0 35 -3,-1.6 -3,-0.1 -5,-0.1 -2,-0.0 -0.055 85.3-114.3-103.4-147.4 5.5 -19.7 15.0 257 597 A D S > S+ 0 0 117 -2,-0.1 3,-0.7 2,-0.1 4,-0.3 0.262 88.1 94.3-136.4 -2.2 8.5 -21.8 15.7 258 598 A A T 3 S+ 0 0 30 -5,-0.3 -169,-0.3 1,-0.2 3,-0.1 0.656 92.8 40.1 -74.4 -16.1 9.3 -23.0 12.2 259 599 A F T > S+ 0 0 3 -6,-0.3 3,-1.5 -5,-0.1 -1,-0.2 0.290 82.3 105.7-115.2 7.3 11.8 -20.3 11.6 260 600 A M T < S+ 0 0 119 -3,-0.7 -2,-0.1 1,-0.3 -1,-0.1 0.922 80.7 49.0 -51.3 -51.3 13.4 -20.2 15.1 261 601 A G T 3 S+ 0 0 3 -4,-0.3 55,-2.4 54,-0.1 -1,-0.3 0.388 81.9 122.7 -77.3 0.9 16.6 -21.9 14.0 262 602 A R < - 0 0 11 -3,-1.5 4,-0.3 53,-0.2 55,-0.1 -0.295 43.7-163.5 -70.2 146.6 17.3 -19.7 11.0 263 603 A Q + 0 0 67 53,-0.2 2,-2.0 1,-0.1 -1,-0.1 0.439 60.9 100.5-116.0 -0.7 20.5 -18.0 10.8 264 604 A D S S- 0 0 30 1,-0.2 5,-0.2 2,-0.0 -1,-0.1 -0.373 115.2 -76.9 -85.7 61.2 20.0 -15.4 8.3 265 605 A D > + 0 0 83 -2,-2.0 4,-2.2 1,-0.1 5,-0.2 0.882 68.9 176.9 50.9 49.4 19.5 -12.7 10.8 266 606 A I H > S+ 0 0 18 -4,-0.3 4,-2.0 1,-0.2 5,-0.2 0.799 71.2 51.6 -60.7 -37.6 16.1 -13.9 11.5 267 607 A C H > S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.969 112.3 46.6 -63.9 -45.7 15.2 -11.5 14.3 268 608 A E H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.884 111.5 50.8 -64.9 -38.3 16.3 -8.5 12.2 269 609 A K H X S+ 0 0 21 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.888 106.4 54.4 -64.4 -42.7 14.4 -9.7 9.1 270 610 A R H X S+ 0 0 63 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.900 108.8 50.6 -58.3 -38.2 11.2 -10.2 11.1 271 611 A N H X S+ 0 0 95 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.925 109.2 49.4 -63.3 -47.7 11.7 -6.6 12.2 272 612 A K H X S+ 0 0 92 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.915 109.4 53.0 -54.1 -48.7 12.1 -5.3 8.6 273 613 A I H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.899 111.6 44.9 -59.4 -43.2 9.0 -7.2 7.5 274 614 A C H X S+ 0 0 52 -4,-1.8 4,-1.7 1,-0.2 3,-0.4 0.923 111.5 51.7 -66.8 -44.9 6.9 -5.6 10.3 275 615 A Q H X S+ 0 0 107 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.701 111.8 50.6 -65.2 -17.1 8.2 -2.1 9.6 276 616 A W H X S+ 0 0 39 -4,-1.2 4,-0.6 -3,-0.2 -1,-0.2 0.691 102.6 56.6 -93.3 -26.6 7.3 -2.7 5.9 277 617 A R H >X S+ 0 0 20 -4,-1.3 4,-1.4 -3,-0.4 3,-1.0 0.904 107.2 50.4 -66.0 -42.0 3.8 -3.8 6.5 278 618 A Q H 3< S+ 0 0 103 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.854 106.7 55.7 -63.7 -36.5 3.1 -0.6 8.3 279 619 A L H 3< S+ 0 0 116 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.725 114.9 38.6 -62.0 -27.4 4.6 1.3 5.5 280 620 A V H << 0 0 42 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.660 360.0 360.0-110.4 -17.0 2.2 -0.3 3.0 281 621 A Q < 0 0 152 -4,-1.4 -1,-0.1 -3,-0.1 -2,-0.1 0.542 360.0 360.0 -73.7 360.0 -1.3 -0.8 4.4 282 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 283 7 B E 0 0 213 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.8 48.1 -41.7 25.9 284 8 B Y - 0 0 97 1,-0.1 52,-0.2 53,-0.0 3,-0.1 -0.960 360.0-141.1-144.5 160.4 45.4 -44.4 25.3 285 9 B D S S+ 0 0 87 50,-2.4 2,-0.3 -2,-0.3 51,-0.2 0.824 92.3 12.4 -84.8 -39.1 44.9 -48.2 25.4 286 10 B Y E -e 336 0E 83 49,-1.6 51,-2.1 2,-0.0 2,-0.3 -0.889 59.1-151.9-133.2 162.2 42.6 -48.2 22.3 287 11 B L E -e 337 0E 35 -2,-0.3 2,-0.6 49,-0.2 51,-0.2 -0.886 15.3-169.4-138.5 109.4 41.6 -45.8 19.5 288 12 B F E -e 338 0E 12 49,-3.0 51,-2.4 -2,-0.3 2,-0.5 -0.875 11.6-151.1-103.9 114.4 38.2 -46.3 17.9 289 13 B K E -e 339 0E 61 -2,-0.6 72,-1.7 70,-0.3 73,-1.5 -0.705 20.9-166.6 -74.7 124.3 37.2 -44.5 14.7 290 14 B L E -ef 340 362E 0 49,-3.2 51,-3.3 -2,-0.5 2,-0.4 -0.877 6.6-155.1-114.1 148.5 33.5 -44.0 14.8 291 15 B L E -ef 341 363E 0 71,-1.6 73,-3.5 -2,-0.3 2,-0.6 -0.988 6.0-160.0-123.6 128.6 31.3 -42.9 11.9 292 16 B L E +ef 342 364E 1 49,-3.9 51,-1.4 -2,-0.4 2,-0.3 -0.945 28.1 162.1-100.6 119.2 27.9 -41.1 12.0 293 17 B I E + f 0 365E 0 71,-2.5 73,-2.7 -2,-0.6 2,-0.2 -0.920 11.8 101.6-132.2 162.6 26.1 -41.6 8.7 294 18 B G E - f 0 366E 0 -2,-0.3 73,-0.2 71,-0.2 3,-0.1 -0.772 67.0 -32.5 143.3 169.7 22.4 -41.3 7.6 295 19 B D S > S- 0 0 26 71,-0.7 3,-1.3 79,-0.3 5,-0.3 0.081 71.3 -85.6 -53.4 159.5 20.1 -38.9 5.7 296 20 B S T 3 S+ 0 0 32 49,-0.3 -1,-0.1 1,-0.2 48,-0.1 -0.465 110.9 10.0 -63.2 131.7 20.4 -35.1 5.7 297 21 B G T 3 S+ 0 0 7 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.472 86.5 119.3 81.6 3.4 18.7 -33.5 8.6 298 22 B V S < S- 0 0 0 -3,-1.3 71,-0.2 68,-0.1 102,-0.1 0.589 91.8 -92.7 -78.9 -10.7 18.0 -36.7 10.6 299 23 B G S > S+ 0 0 11 -4,-0.2 4,-2.7 67,-0.1 5,-0.2 0.611 78.4 136.4 115.9 16.6 20.1 -35.4 13.6 300 24 B K H > S+ 0 0 8 -5,-0.3 4,-2.0 1,-0.2 5,-0.1 0.905 80.2 44.7 -62.3 -40.3 23.6 -36.7 13.2 301 25 B S H > S+ 0 0 37 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.846 114.2 50.7 -76.7 -30.7 25.3 -33.5 14.1 302 26 B C H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.903 108.2 51.3 -70.4 -45.7 23.0 -33.0 17.0 303 27 B L H X S+ 0 0 5 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.920 110.8 49.1 -54.6 -48.2 23.5 -36.5 18.4 304 28 B L H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.818 110.4 51.2 -65.6 -29.9 27.3 -35.9 18.3 305 29 B L H X S+ 0 0 41 -4,-1.3 4,-2.1 2,-0.2 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10.5 -37.0 21.3 404 128 B L < + 0 0 56 -3,-1.7 4,-0.1 1,-0.2 -1,-0.1 -0.714 58.2 163.7 -83.5 90.3 8.1 -36.3 18.5 405 129 B T + 0 0 108 -2,-1.4 -1,-0.2 1,-0.2 -2,-0.0 0.710 68.5 45.2 -91.9 -22.7 5.6 -38.9 19.6 406 130 B T S S+ 0 0 136 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.553 115.4 49.6 -94.8 -10.3 2.5 -37.8 17.6 407 131 B K S S+ 0 0 139 -36,-0.0 2,-0.4 2,-0.0 -2,-0.2 0.351 79.5 122.6-105.9 1.3 4.6 -37.4 14.4 408 132 B K + 0 0 62 1,-0.2 -38,-0.2 -4,-0.1 3,-0.1 -0.517 26.1 166.4 -71.3 122.6 6.3 -40.8 14.7 409 133 B V + 0 0 73 -40,-2.3 2,-0.7 -2,-0.4 -39,-0.2 0.497 60.6 73.7-113.8 -12.3 5.6 -42.8 11.5 410 134 B V S S- 0 0 2 -41,-1.6 -1,-0.2 4,-0.0 -39,-0.1 -0.875 78.4-145.4-107.8 100.1 8.2 -45.5 12.1 411 135 B D > - 0 0 93 -2,-0.7 4,-1.4 1,-0.1 5,-0.2 -0.177 17.9-120.5 -59.6 152.6 7.0 -47.9 14.8 412 136 B Y H > S+ 0 0 99 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.900 109.9 55.7 -59.7 -42.1 9.6 -49.4 17.2 413 137 B T H > S+ 0 0 84 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.886 104.6 50.1 -63.5 -41.9 8.7 -52.9 16.2 414 138 B T H > S+ 0 0 70 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.889 117.0 42.2 -65.5 -38.7 9.2 -52.5 12.4 415 139 B A H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.939 114.9 49.3 -71.5 -48.8 12.7 -51.0 13.1 416 140 B K H X S+ 0 0 62 -4,-3.3 4,-3.4 1,-0.2 5,-0.3 0.946 110.4 50.5 -55.1 -53.5 13.6 -53.6 15.9 417 141 B E H X S+ 0 0 137 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.878 112.2 47.7 -54.0 -42.4 12.6 -56.5 13.7 418 142 B F H < S+ 0 0 61 -4,-1.4 4,-0.4 -5,-0.2 -1,-0.2 0.941 114.1 46.2 -64.7 -46.9 14.7 -55.2 10.8 419 143 B A H ><>S+ 0 0 0 -4,-2.8 5,-1.8 1,-0.2 3,-1.6 0.923 111.3 52.2 -61.8 -44.6 17.7 -54.6 13.0 420 144 B D H ><5S+ 0 0 89 -4,-3.4 3,-1.0 1,-0.3 -1,-0.2 0.825 99.5 63.6 -61.3 -34.1 17.3 -58.0 14.7 421 145 B S T 3<5S+ 0 0 88 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.655 108.7 42.6 -63.5 -14.3 17.3 -59.8 11.3 422 146 B L T < 5S- 0 0 79 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.449 113.1-110.2-111.8 -6.6 20.8 -58.5 10.8 423 147 B G T < 5S+ 0 0 70 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.934 74.8 140.7 66.8 46.4 22.4 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110.3-115.1-103.5 11.5 15.8 -34.5 25.4 434 158 B A T <5 + 0 0 49 -4,-0.6 2,-0.5 -3,-0.2 -3,-0.2 0.974 55.0 162.0 50.9 69.7 19.0 -36.5 25.8 435 159 B T B < -J 430 0F 53 -5,-2.1 -5,-1.7 1,-0.1 -1,-0.2 -0.952 66.3 -23.4-122.5 111.9 17.6 -40.0 25.5 436 160 B N S > S+ 0 0 48 -2,-0.5 4,-1.6 -7,-0.2 5,-0.1 0.518 96.8 119.2 74.7 2.8 19.9 -42.9 24.7 437 161 B V H > S+ 0 0 3 -7,-0.3 4,-1.2 2,-0.2 3,-0.2 0.957 80.0 41.3 -66.4 -47.5 22.5 -40.7 23.2 438 162 B E H >> S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 3,-0.8 0.984 114.1 53.7 -55.5 -56.0 25.1 -41.7 25.7 439 163 B Q H 3> S+ 0 0 98 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.751 102.9 58.3 -54.9 -29.5 24.0 -45.4 25.5 440 164 B S H 3X S+ 0 0 3 -4,-1.6 4,-1.7 -3,-0.2 -1,-0.3 0.922 112.5 37.1 -69.2 -44.2 24.3 -45.4 21.7 441 165 B F H < S+ 0 0 44 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.827 106.6 54.8 -65.0 -31.9 36.2 -53.5 22.4 450 174 B K H 3< S+ 0 0 130 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.832 98.0 60.2 -75.1 -32.2 34.6 -57.0 22.6 451 175 B R T 3< 0 0 101 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.500 360.0 360.0 -67.9 -1.9 35.7 -57.7 19.0 452 176 B M < 0 0 188 -3,-1.0 -3,-0.2 -5,-0.1 -2,-0.1 0.793 360.0 360.0 39.3 360.0 39.1 -57.0 20.6