==== 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 TRANSPORT PROTEIN 23-SEP-09 3JZ9 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN DRRA; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH . AUTHOR S.SCHOEBEL,L.K.OESTERLIN,W.BLANKENFELDT,R.S.GOODY,A.ITZEN . 197 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 7 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 56.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 0 0 0 0 1 0 0 0 0 0 1 0 2 0 0 2 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 337 A G > 0 0 84 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-163.2 57.6 9.1 21.1 2 338 A H H > + 0 0 134 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.808 360.0 55.3 -69.9 -22.7 57.3 12.7 20.0 3 339 A X H > S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 110.3 44.8 -73.1 -44.9 59.8 12.2 17.1 4 340 A V H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.934 111.6 54.1 -61.2 -38.5 57.7 9.3 15.7 5 341 A T H X S+ 0 0 64 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.884 105.7 53.3 -61.1 -40.3 54.6 11.3 16.2 6 342 A R H X S+ 0 0 102 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.911 106.0 52.6 -60.7 -41.0 56.1 14.2 14.2 7 343 A I H X S+ 0 0 97 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.940 110.8 48.2 -57.1 -45.0 56.9 11.8 11.3 8 344 A E H X S+ 0 0 109 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.903 110.4 50.8 -66.9 -41.6 53.3 10.7 11.3 9 345 A N H X S+ 0 0 30 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.937 108.7 52.4 -63.1 -38.7 52.1 14.4 11.4 10 346 A L H X S+ 0 0 19 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.848 104.9 55.0 -66.6 -33.5 54.4 15.2 8.4 11 347 A E H X S+ 0 0 111 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.926 112.6 43.2 -60.6 -45.7 52.9 12.3 6.4 12 348 A N H X S+ 0 0 65 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.907 112.0 54.2 -67.9 -40.0 49.4 13.8 7.0 13 349 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.905 105.7 52.5 -61.4 -39.9 50.7 17.2 6.3 14 350 A K H X S+ 0 0 49 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.882 108.3 51.0 -58.7 -40.8 52.1 16.0 2.9 15 351 A K H X S+ 0 0 128 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.925 110.6 49.2 -58.9 -50.7 48.6 14.6 2.0 16 352 A L H X S+ 0 0 35 -4,-2.4 4,-1.8 1,-0.2 23,-0.2 0.861 110.8 50.5 -60.7 -37.0 47.1 18.1 2.9 17 353 A W H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.944 109.0 50.8 -64.7 -48.0 49.6 19.8 0.7 18 354 A D H X S+ 0 0 56 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.878 107.6 52.9 -61.6 -39.9 48.9 17.5 -2.2 19 355 A N H X S+ 0 0 88 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.887 111.7 46.6 -57.4 -47.3 45.1 18.2 -1.9 20 356 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 15,-0.3 -2,-0.2 0.919 112.6 50.4 -61.2 -42.8 45.9 22.0 -2.0 21 357 A N H X S+ 0 0 17 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.866 108.9 50.5 -69.1 -35.4 48.2 21.5 -5.0 22 358 A S H X S+ 0 0 51 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.922 111.3 48.1 -71.2 -35.0 45.6 19.5 -6.9 23 359 A X H <>S+ 0 0 40 -4,-1.9 5,-2.1 1,-0.2 9,-0.2 0.921 112.7 50.7 -61.7 -48.9 43.0 22.2 -6.3 24 360 A L H ><5S+ 0 0 2 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.897 106.8 52.7 -52.4 -46.5 45.5 24.8 -7.4 25 361 A E H 3<5S+ 0 0 77 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.803 107.8 51.4 -69.7 -31.7 46.3 22.8 -10.6 26 362 A K T 3<5S- 0 0 147 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.366 114.6-117.9 -74.6 -3.0 42.6 22.7 -11.5 27 363 A G T < 5 + 0 0 30 -3,-1.9 2,-1.0 1,-0.2 -3,-0.2 0.703 60.6 152.6 66.4 23.5 42.4 26.5 -11.0 28 364 A N >< - 0 0 67 -5,-2.1 4,-2.3 1,-0.2 5,-0.2 -0.740 21.0-175.8 -86.1 104.3 39.8 26.3 -8.2 29 365 A I H > S+ 0 0 18 -2,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.887 76.7 38.5 -68.0 -52.2 40.4 29.4 -6.2 30 366 A S H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 120.3 48.6 -69.6 -40.5 38.1 29.1 -3.1 31 367 A G H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.799 108.9 51.2 -73.7 -34.1 38.8 25.4 -2.9 32 368 A Y H X S+ 0 0 2 -4,-2.3 4,-3.1 -9,-0.2 -1,-0.2 0.904 112.8 49.5 -55.3 -44.9 42.6 25.9 -3.1 33 369 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.903 107.3 52.2 -71.2 -32.3 42.1 28.3 -0.4 34 370 A K H X S+ 0 0 69 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.952 115.1 43.3 -60.7 -52.9 40.0 25.8 1.7 35 371 A A H X S+ 0 0 16 -4,-2.1 4,-2.3 1,-0.2 -15,-0.3 0.836 111.8 52.5 -65.0 -38.4 42.8 23.3 1.3 36 372 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.909 109.4 50.5 -61.6 -40.9 45.6 25.8 2.0 37 373 A N H X S+ 0 0 26 -4,-2.3 4,-3.2 -5,-0.2 -2,-0.2 0.915 109.8 49.4 -61.8 -48.8 43.7 26.8 5.2 38 374 A E H X S+ 0 0 97 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.882 112.7 48.4 -58.4 -47.1 43.4 23.1 6.4 39 375 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 -23,-0.2 5,-0.2 0.933 114.7 45.0 -52.0 -50.1 47.2 22.6 5.7 40 376 A H H X S+ 0 0 24 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.892 112.5 49.9 -73.6 -37.7 48.2 25.7 7.5 41 377 A K H X S+ 0 0 104 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.893 113.4 46.9 -64.3 -45.2 45.9 25.0 10.5 42 378 A F H X S+ 0 0 28 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.961 112.6 48.1 -59.4 -53.7 47.2 21.5 10.8 43 379 A X H <>S+ 0 0 0 -4,-3.0 5,-2.9 1,-0.2 -2,-0.2 0.930 113.6 47.8 -56.2 -44.2 50.8 22.5 10.6 44 380 A K H ><5S+ 0 0 139 -4,-2.5 3,-1.4 -5,-0.2 -1,-0.2 0.934 111.2 50.6 -61.3 -41.6 50.3 25.3 13.1 45 381 A E H 3<5S+ 0 0 138 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.809 113.5 45.1 -65.3 -34.4 48.5 22.9 15.5 46 382 A K T 3<5S- 0 0 71 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.221 114.1-114.6 -96.7 14.9 51.3 20.3 15.2 47 383 A N T < 5 + 0 0 143 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.908 66.6 148.8 48.3 50.8 54.1 22.9 15.7 48 384 A L < - 0 0 5 -5,-2.9 2,-0.2 -6,-0.2 -1,-0.2 -0.954 30.0-159.3-116.1 135.1 55.4 22.2 12.1 49 385 A K >> - 0 0 138 -2,-0.4 3,-1.5 1,-0.0 4,-1.4 -0.607 37.1-100.5-101.9 169.8 57.0 24.8 9.8 50 386 A E H 3> S+ 0 0 51 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.888 122.8 59.2 -53.8 -44.5 57.5 25.0 6.0 51 387 A D H 34 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.2 59,-0.0 0.699 100.8 56.4 -62.0 -29.2 61.1 23.8 6.6 52 388 A D H <4 S+ 0 0 57 -3,-1.5 4,-0.3 1,-0.1 -1,-0.2 0.874 114.8 35.7 -69.3 -41.4 59.8 20.6 8.2 53 389 A L H >X S+ 0 0 0 -4,-1.4 3,-1.7 -3,-0.4 4,-0.6 0.821 95.5 82.1 -79.1 -30.4 57.7 19.7 5.2 54 390 A R G >< S+ 0 0 51 -4,-2.3 3,-1.6 1,-0.3 -1,-0.1 0.830 89.1 53.7 -56.8 -42.6 59.9 20.8 2.4 55 391 A P G >4 S+ 0 0 88 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.785 104.4 57.5 -60.8 -27.3 62.1 17.7 2.4 56 392 A E G <4 S+ 0 0 82 -3,-1.7 3,-0.3 -4,-0.3 -2,-0.2 0.631 100.0 59.1 -71.4 -13.8 59.0 15.5 2.1 57 393 A L G X< + 0 0 0 -3,-1.6 3,-2.2 -4,-0.6 -1,-0.2 0.213 62.3 113.3-103.3 22.2 57.9 17.3 -1.2 58 394 A S T < S+ 0 0 103 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.739 80.5 51.3 -67.0 -19.2 61.0 16.5 -3.3 59 395 A D T 3 S+ 0 0 104 -3,-0.3 -1,-0.3 2,-0.0 2,-0.3 0.341 100.9 84.0 -97.1 8.1 58.7 14.3 -5.5 60 396 A K < - 0 0 50 -3,-2.2 2,-0.4 51,-0.0 -3,-0.1 -0.751 60.2-159.3-111.1 162.3 56.1 17.0 -5.9 61 397 A T - 0 0 101 -2,-0.3 2,-0.6 2,-0.0 -3,-0.0 -0.998 16.2-152.4-139.9 132.0 55.9 19.9 -8.3 62 398 A I - 0 0 10 -2,-0.4 57,-0.1 46,-0.1 -41,-0.0 -0.934 36.7-140.2 -95.4 124.9 54.1 23.3 -8.4 63 399 A S > - 0 0 18 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.257 22.5-102.1 -76.8 171.3 53.7 23.9 -12.1 64 400 A P H > S+ 0 0 69 0, 0.0 57,-2.3 0, 0.0 4,-1.8 0.832 126.4 52.8 -60.0 -38.2 54.2 27.1 -14.0 65 401 A K H > S+ 0 0 59 2,-0.2 4,-2.3 55,-0.2 5,-0.2 0.956 109.0 50.5 -56.1 -53.7 50.3 27.4 -14.1 66 402 A G H > S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.908 110.7 46.9 -51.8 -47.9 50.3 26.9 -10.3 67 403 A Y H X S+ 0 0 14 -4,-2.5 4,-2.4 52,-0.3 -1,-0.3 0.833 109.5 55.3 -63.8 -37.1 52.8 29.6 -9.7 68 404 A A H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.888 110.2 44.9 -61.2 -43.1 51.0 31.9 -12.0 69 405 A I H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.897 112.3 53.2 -68.9 -39.8 47.7 31.4 -10.0 70 406 A L H X S+ 0 0 10 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.905 110.0 46.0 -60.4 -42.9 49.7 31.9 -6.8 71 407 A Q H X S+ 0 0 110 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.908 113.0 51.4 -73.2 -35.1 51.2 35.2 -8.0 72 408 A S H X S+ 0 0 30 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.888 109.2 49.8 -65.0 -41.0 47.7 36.3 -9.1 73 409 A L H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.943 110.9 51.2 -59.2 -45.6 46.2 35.4 -5.8 74 410 A W H X S+ 0 0 157 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.891 110.6 46.1 -59.9 -48.0 49.0 37.4 -4.1 75 411 A G H X S+ 0 0 25 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.915 115.9 44.3 -66.7 -43.0 48.5 40.6 -6.1 76 412 A A H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.918 116.2 48.2 -66.7 -43.5 44.7 40.6 -5.7 77 413 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.876 110.8 52.3 -64.1 -42.9 44.9 39.8 -2.0 78 414 A S H X S+ 0 0 45 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.947 112.6 42.7 -57.3 -51.0 47.5 42.5 -1.5 79 415 A D H X S+ 0 0 81 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.872 116.0 49.4 -63.9 -44.3 45.4 45.2 -3.2 80 416 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.968 108.6 52.3 -62.4 -47.1 42.2 44.0 -1.3 81 417 A S H < S+ 0 0 18 -4,-3.0 4,-0.2 1,-0.2 -2,-0.2 0.900 116.4 40.3 -54.2 -44.7 43.9 43.9 2.1 82 418 A R H >< S+ 0 0 210 -4,-1.7 3,-1.5 -5,-0.3 -1,-0.2 0.937 114.5 50.3 -74.5 -43.7 45.1 47.5 1.6 83 419 A A H 3< S+ 0 0 23 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.813 106.7 57.4 -67.4 -30.2 42.0 48.8 -0.0 84 420 A A T 3< S+ 0 0 0 -4,-2.8 2,-1.1 -5,-0.2 -1,-0.3 0.479 81.6 92.5 -77.7 -3.8 39.9 47.4 2.8 85 421 A A < + 0 0 53 -3,-1.5 5,-0.3 -4,-0.2 2,-0.2 -0.761 62.6 151.6 -92.9 90.6 41.8 49.3 5.5 86 422 A T - 0 0 33 3,-2.3 -2,-0.1 -2,-1.1 99,-0.0 -0.642 63.2 -99.2-117.8 178.2 39.5 52.4 5.7 87 423 A L S S+ 0 0 189 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.772 121.7 58.6 -68.5 -17.9 38.5 55.1 8.2 88 424 A T S S- 0 0 50 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.975 131.1 -25.4 -73.4 -52.3 35.3 53.1 8.8 89 425 A E + 0 0 23 -5,-0.1 -3,-2.3 1,-0.1 -1,-0.3 -0.962 52.4 174.9-158.5 150.0 37.2 50.0 9.9 90 426 A S + 0 0 69 -2,-0.3 -5,-0.1 -5,-0.3 -3,-0.1 0.245 69.2 62.7-147.4 21.3 40.7 48.7 9.3 91 427 A T S > S+ 0 0 110 3,-0.1 4,-1.9 -7,-0.1 5,-0.2 0.863 97.0 42.7-107.0 -54.5 41.1 45.6 11.4 92 428 A V H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.969 118.1 35.5 -71.3 -61.1 38.6 42.9 10.5 93 429 A E H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.932 117.4 50.4 -66.0 -45.6 38.6 42.8 6.7 94 430 A P H > S+ 0 0 13 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.912 112.6 50.4 -58.2 -38.0 42.2 43.6 6.1 95 431 A G H X S+ 0 0 37 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.909 109.1 49.4 -60.7 -42.8 43.0 40.8 8.6 96 432 A L H X S+ 0 0 54 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.927 116.2 42.6 -62.2 -42.8 40.8 38.3 6.9 97 433 A V H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 3,-0.3 0.899 111.7 52.9 -73.7 -45.0 42.3 39.1 3.5 98 434 A S H X S+ 0 0 54 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.849 105.2 57.9 -57.0 -38.7 46.0 39.3 4.8 99 435 A A H X S+ 0 0 54 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.851 101.8 54.2 -62.8 -38.0 45.4 35.8 6.3 100 436 A V H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.3 -2,-0.2 0.929 108.7 48.9 -55.0 -43.5 44.6 34.5 2.8 101 437 A N H X S+ 0 0 24 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.912 112.8 48.2 -64.4 -42.8 47.9 35.9 1.6 102 438 A K H X S+ 0 0 129 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.886 111.4 47.2 -67.9 -43.4 49.7 34.2 4.5 103 439 A X H X S+ 0 0 4 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.871 113.7 48.9 -67.8 -38.5 48.2 30.8 4.2 104 440 A S H X S+ 0 0 5 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.931 112.1 47.8 -70.1 -44.1 48.8 30.8 0.4 105 441 A A H X S+ 0 0 39 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.874 108.6 56.3 -58.1 -38.2 52.4 31.9 0.8 106 442 A F H X S+ 0 0 14 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.913 106.2 49.8 -60.4 -47.6 52.8 29.1 3.5 107 443 A F H X S+ 0 0 0 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.919 114.1 45.7 -55.7 -50.0 51.6 26.5 1.0 108 444 A X H >X S+ 0 0 47 -4,-2.1 4,-3.1 1,-0.2 3,-1.2 0.914 111.0 51.9 -58.4 -45.6 54.1 27.8 -1.6 109 445 A D H 3< S+ 0 0 31 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.737 94.8 69.5 -70.5 -26.8 57.0 28.0 1.0 110 446 A C H 3< S+ 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -53,-0.2 0.840 118.1 23.5 -53.5 -30.7 56.4 24.4 2.1 111 447 A K H << S+ 0 0 50 -3,-1.2 2,-0.5 -4,-0.6 -2,-0.2 0.816 121.9 52.2-104.1 -49.0 57.8 23.5 -1.4 112 448 A L S < S- 0 0 23 -4,-3.1 -1,-0.2 -5,-0.1 4,-0.1 -0.828 84.7-122.8 -90.2 128.8 59.9 26.4 -2.6 113 449 A S - 0 0 30 -2,-0.5 -3,-0.1 2,-0.1 -4,-0.0 -0.603 18.4-133.5 -62.4 129.1 62.6 27.7 -0.4 114 450 A P S S+ 0 0 85 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.723 106.6 69.4 -59.9 -21.9 61.8 31.5 0.2 115 451 A N S S+ 0 0 149 2,-0.1 2,-0.2 -3,-0.0 -2,-0.1 -0.863 102.6 49.0 -85.9 87.5 65.5 32.0 -0.5 116 452 A E S S- 0 0 148 -2,-1.0 2,-0.3 -4,-0.1 -4,-0.0 -0.482 90.4 -80.7 136.7 155.8 64.9 30.9 -4.3 117 453 A R - 0 0 218 -2,-0.2 -4,-0.1 1,-0.1 -2,-0.1 -0.615 19.3-127.2-112.5 136.5 62.4 31.9 -7.1 118 454 A A - 0 0 43 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 -0.275 18.2-151.8 -58.8 147.2 58.9 31.2 -8.3 119 455 A T + 0 0 85 -57,-0.1 -52,-0.3 -56,-0.1 -51,-0.2 -0.662 24.4 177.6-124.9 68.6 58.7 30.2 -12.0 120 456 A P - 0 0 33 0, 0.0 -55,-0.2 0, 0.0 -54,-0.1 -0.432 37.9-111.0 -75.0 150.0 55.2 31.4 -13.1 121 457 A D > - 0 0 49 -57,-2.3 3,-2.2 1,-0.1 -2,-0.0 -0.770 23.8-150.8 -79.0 111.4 53.9 31.0 -16.6 122 458 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -57,-0.0 0.614 93.5 53.0 -62.3 -14.1 53.8 34.6 -17.8 123 459 A D T 3 S+ 0 0 128 2,-0.0 2,-0.8 1,-0.0 -58,-0.0 0.464 84.0 91.6 -97.9 -6.1 50.9 33.7 -20.1 124 460 A F < + 0 0 69 -3,-2.2 2,-0.4 -60,-0.1 -3,-0.1 -0.822 55.6 173.9 -93.4 113.6 48.6 32.1 -17.6 125 461 A K - 0 0 159 -2,-0.8 2,-0.4 -53,-0.0 -56,-0.1 -0.944 21.1-162.2-117.2 130.3 46.3 34.8 -16.3 126 462 A V - 0 0 37 -2,-0.4 2,-0.1 -58,-0.2 -2,-0.0 -0.954 38.6-106.3-103.2 140.3 43.4 34.4 -14.0 127 463 A G > - 0 0 44 -2,-0.4 4,-1.9 1,-0.1 3,-0.2 -0.367 21.0-130.2 -65.7 132.4 41.0 37.4 -14.1 128 464 A K H > S+ 0 0 71 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.856 106.0 57.7 -54.1 -39.5 41.3 39.6 -11.0 129 465 A S H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 107.1 49.1 -65.5 -36.2 37.5 39.6 -10.4 130 466 A K H > S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 111.2 48.9 -69.2 -36.4 37.5 35.8 -10.3 131 467 A I H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.928 110.7 50.5 -65.7 -44.7 40.3 35.8 -7.8 132 468 A L H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.931 110.0 49.8 -64.0 -44.0 38.6 38.4 -5.6 133 469 A V H X S+ 0 0 11 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.918 109.4 52.9 -60.1 -43.3 35.3 36.4 -5.6 134 470 A G H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.917 109.2 48.4 -56.1 -41.5 37.2 33.3 -4.7 135 471 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.942 113.2 47.2 -62.5 -47.5 38.8 35.1 -1.7 136 472 A X H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.878 110.3 53.0 -64.2 -38.4 35.4 36.4 -0.6 137 473 A Q H X S+ 0 0 65 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.904 109.8 47.9 -62.6 -46.4 33.9 33.0 -0.9 138 474 A F H X S+ 0 0 12 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.943 113.5 47.9 -54.3 -54.1 36.6 31.5 1.3 139 475 A I H X S+ 0 0 4 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.954 112.8 47.6 -56.8 -46.3 36.2 34.2 3.9 140 476 A K H < S+ 0 0 54 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.903 112.0 50.2 -60.4 -43.4 32.4 33.8 3.9 141 477 A D H < S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.826 117.5 38.2 -73.9 -28.1 32.6 30.0 4.2 142 478 A V H < S+ 0 0 72 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.621 91.4 109.2 -97.7 -5.7 35.0 30.0 7.1 143 479 A A S < S- 0 0 13 -4,-1.5 -4,-0.0 -5,-0.2 -3,-0.0 -0.319 77.0-108.0 -72.1 144.2 33.7 32.9 9.0 144 480 A D > - 0 0 94 1,-0.1 3,-1.9 2,-0.0 11,-0.3 -0.442 30.2-121.3 -60.6 138.7 32.0 32.4 12.3 145 481 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 0.697 113.0 48.3 -62.9 -18.0 28.3 33.1 11.8 146 482 A T T 3 S+ 0 0 116 7,-0.1 50,-0.1 50,-0.1 -2,-0.0 0.518 85.3 119.5 -91.9 -5.2 28.4 35.8 14.4 147 483 A S < - 0 0 34 -3,-1.9 7,-2.4 6,-0.1 8,-0.4 -0.226 45.6-163.1 -66.5 147.1 31.5 37.5 12.9 148 484 A K E -A 153 0A 122 5,-0.3 2,-0.5 6,-0.1 5,-0.2 -0.951 23.9-151.3-132.9 148.5 31.1 41.1 11.8 149 485 A I E > S-A 152 0A 0 3,-2.6 3,-2.2 -2,-0.3 -60,-0.0 -0.990 82.7 -43.2-114.8 114.4 33.0 43.6 9.6 150 486 A W T 3 S- 0 0 90 -2,-0.5 4,-0.1 1,-0.2 37,-0.1 -0.394 126.3 -23.6 54.0-129.3 32.1 47.0 11.1 151 487 A X T 3 S+ 0 0 73 35,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.447 123.3 90.8 -87.2 -4.0 28.2 46.9 11.8 152 488 A H E < S-A 149 0A 2 -3,-2.2 -3,-2.6 41,-0.1 43,-0.2 -0.752 84.9-107.6-100.7 139.0 27.6 44.1 9.2 153 489 A N E > -A 148 0A 7 41,-2.3 4,-2.4 -2,-0.3 -5,-0.3 -0.416 31.4-133.6 -56.6 130.6 27.6 40.3 9.4 154 490 A T H > S+ 0 0 0 -7,-2.4 4,-2.6 -10,-0.2 5,-0.2 0.905 101.8 48.6 -60.6 -50.8 30.8 39.2 7.7 155 491 A K H > S+ 0 0 58 -8,-0.4 4,-2.4 -11,-0.3 -1,-0.2 0.934 113.9 46.8 -54.7 -48.2 29.1 36.4 5.6 156 492 A A H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.873 110.9 50.6 -66.1 -41.3 26.4 38.7 4.5 157 493 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.918 109.8 52.1 -66.5 -34.7 28.8 41.5 3.6 158 494 A X H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.926 109.5 49.2 -60.1 -47.5 30.9 38.9 1.5 159 495 A N H X S+ 0 0 74 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.920 110.7 51.0 -59.7 -40.8 27.7 37.9 -0.3 160 496 A H H X S+ 0 0 64 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.933 113.8 43.0 -59.5 -45.8 27.0 41.6 -0.9 161 497 A K H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.872 111.4 54.8 -72.1 -36.8 30.5 42.2 -2.4 162 498 A I H X S+ 0 0 13 -4,-3.1 4,-3.0 2,-0.2 -1,-0.2 0.945 110.5 46.4 -59.9 -49.1 30.4 39.0 -4.4 163 499 A A H X S+ 0 0 51 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.898 109.8 53.9 -57.9 -40.0 27.2 40.1 -6.0 164 500 A A H X S+ 0 0 31 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.897 110.6 45.9 -60.9 -48.1 28.6 43.6 -6.6 165 501 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.929 111.4 51.8 -62.9 -44.3 31.6 42.1 -8.5 166 502 A Q H X S+ 0 0 72 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.840 108.2 52.1 -60.2 -40.0 29.4 39.7 -10.5 167 503 A K H X S+ 0 0 142 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.907 109.0 49.9 -62.3 -44.5 27.2 42.7 -11.6 168 504 A L H <>S+ 0 0 24 -4,-2.0 5,-2.8 2,-0.2 4,-0.4 0.903 110.8 51.3 -57.4 -42.2 30.3 44.6 -12.7 169 505 A E H ><5S+ 0 0 45 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.931 109.7 48.2 -61.1 -49.3 31.3 41.4 -14.7 170 506 A R H 3<5S+ 0 0 184 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.839 114.5 44.7 -60.3 -37.3 27.9 41.1 -16.4 171 507 A S T 3<5S- 0 0 75 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.406 110.6-123.0 -86.2 5.2 27.9 44.8 -17.4 172 508 A N T < 5S+ 0 0 149 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.925 75.1 126.1 46.9 55.1 31.6 44.5 -18.5 173 509 A N < + 0 0 75 -5,-2.8 2,-0.6 -6,-0.1 -4,-0.2 -0.093 23.2 135.2-130.1 33.1 32.5 47.3 -16.1 174 510 A V + 0 0 50 -6,-0.3 2,-0.3 -5,-0.2 -45,-0.0 -0.768 22.3 132.5 -83.6 120.4 35.3 45.7 -14.2 175 511 A N S > S- 0 0 71 -2,-0.6 4,-2.6 1,-0.0 5,-0.2 -0.909 70.9 -89.6-153.1 172.8 38.3 48.0 -13.7 176 512 A D H > S+ 0 0 93 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.794 123.9 52.1 -62.6 -21.9 40.5 49.0 -10.7 177 513 A E H > S+ 0 0 164 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.924 112.3 42.5 -76.8 -46.6 38.2 51.9 -9.9 178 514 A T H > S+ 0 0 29 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.884 117.0 49.4 -65.4 -38.5 35.0 49.9 -9.8 179 515 A L H X S+ 0 0 4 -4,-2.6 4,-2.9 1,-0.2 3,-0.4 0.915 107.0 53.8 -65.5 -45.2 36.7 47.1 -7.9 180 516 A E H X S+ 0 0 119 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.845 102.2 59.9 -58.4 -38.0 38.2 49.5 -5.4 181 517 A S H X S+ 0 0 79 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.909 112.2 39.1 -55.7 -40.6 34.7 50.8 -4.7 182 518 A V H < S+ 0 0 15 -4,-1.2 3,-0.5 -3,-0.4 -2,-0.2 0.949 116.1 50.2 -75.8 -42.8 33.7 47.2 -3.7 183 519 A L H < S+ 0 0 10 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.826 114.8 41.7 -66.8 -34.0 36.8 46.4 -1.9 184 520 A S H < S+ 0 0 32 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.639 92.9 108.5 -87.6 -13.5 37.0 49.5 0.3 185 521 A S < - 0 0 29 -4,-0.8 -24,-0.1 -3,-0.5 -3,-0.0 -0.282 42.9-174.9 -69.8 147.1 33.2 49.5 1.1 186 522 A K - 0 0 0 -2,-0.0 -35,-0.2 -35,-0.0 -1,-0.1 -0.050 60.6-100.6-117.8 30.6 31.9 48.7 4.5 187 523 A G > + 0 0 4 -5,-0.1 3,-1.8 1,-0.1 -2,-0.1 0.805 68.7 156.9 55.8 37.4 28.2 48.9 3.2 188 524 A E T 3 + 0 0 85 1,-0.3 -1,-0.1 3,-0.0 5,-0.0 0.715 69.2 48.3 -68.8 -19.1 27.9 52.4 4.7 189 525 A N T 3 S+ 0 0 165 3,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.123 83.4 116.8-106.5 15.4 25.2 53.3 2.2 190 526 A L S < S- 0 0 60 -3,-1.8 3,-0.1 1,-0.1 4,-0.0 -0.397 74.9-117.9 -79.9 161.0 23.0 50.2 2.7 191 527 A S S S- 0 0 122 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.712 88.1 -1.8 -80.3 -16.2 19.5 50.7 4.2 192 528 A E S S- 0 0 145 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.971 89.7 -74.8-157.0 174.3 20.2 48.6 7.3 193 529 A Y - 0 0 147 -2,-0.3 2,-0.3 1,-0.1 -41,-0.1 -0.443 52.2-115.1 -75.9 139.9 22.8 46.5 8.9 194 530 A L - 0 0 45 -2,-0.1 -41,-2.3 -41,-0.1 2,-0.2 -0.542 34.9-152.9 -77.4 130.8 23.3 43.1 7.3 195 531 A S - 0 0 75 -2,-0.3 -49,-0.0 -43,-0.2 -43,-0.0 -0.708 27.3-117.7-109.0 165.3 22.4 40.2 9.6 196 532 A Y 0 0 61 -2,-0.2 -1,-0.1 -41,-0.1 -50,-0.1 0.976 360.0 360.0 -57.2 -60.9 23.4 36.5 9.9 197 533 A K 0 0 131 -3,-0.1 -2,-0.1 -41,-0.0 0, 0.0 0.720 360.0 360.0 19.7 360.0 19.8 35.6 9.1