==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAR-07 2UWX . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 1B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR P.MACHEBOEUF,A.M.DIGUILMI,V.JOB,T.VERNET,O.DIDEBERG, . 469 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 1 0.2 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 . 30 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.8 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 3 0 1 2 1 0 0 0 3 0 1 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 PARALLEL BRIDGES PER LADDER . 3 1 3 3 0 2 1 1 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 . 3 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 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 1 105 A I 0 0 106 0, 0.0 2,-0.2 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 125.8 21.8 22.1 53.6 2 106 A S - 0 0 0 61,-0.4 13,-2.4 62,-0.3 2,-0.4 -0.551 360.0-152.6 -79.4 146.3 21.3 25.7 52.2 3 107 A E E -Ab 14 69A 70 65,-2.9 67,-3.5 11,-0.2 2,-0.5 -0.971 16.1-154.3-128.9 138.7 22.9 26.5 48.8 4 108 A I E -Ab 13 70A 0 9,-2.2 8,-3.8 -2,-0.4 9,-1.2 -0.919 29.3-169.9-102.6 131.6 24.2 29.6 47.0 5 109 A T E -Ab 11 71A 0 65,-3.1 67,-2.4 -2,-0.5 69,-0.3 -0.877 21.5-118.1-124.0 153.2 24.1 29.2 43.3 6 110 A Y > - 0 0 28 4,-3.1 3,-1.7 -2,-0.3 69,-0.2 -0.181 53.8 -81.4 -61.3 167.3 25.4 30.9 40.1 7 111 A S T 3 S+ 0 0 71 67,-3.3 68,-0.1 1,-0.2 -1,-0.1 0.831 130.5 48.8 -27.2 -53.5 23.0 32.3 37.5 8 112 A D T 3 S- 0 0 115 66,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.427 122.8-100.3 -89.6 -0.3 22.4 28.9 35.9 9 113 A G S < S+ 0 0 38 -3,-1.7 -2,-0.1 1,-0.4 2,-0.1 0.291 74.6 143.0 101.2 -7.6 21.7 27.1 39.1 10 114 A T - 0 0 75 1,-0.1 -4,-3.1 -5,-0.1 -1,-0.4 -0.414 58.8-103.5 -63.2 140.5 25.2 25.6 39.5 11 115 A V E -A 5 0A 61 -6,-0.3 -6,-0.3 1,-0.2 3,-0.1 -0.524 32.6-177.3 -80.3 127.4 26.2 25.5 43.2 12 116 A I E - 0 0 34 -8,-3.8 2,-0.3 1,-0.4 -7,-0.2 0.928 69.3 -36.6 -77.3 -60.1 28.7 28.1 44.5 13 117 A A E -A 4 0A 26 -9,-1.2 -9,-2.2 7,-0.1 -1,-0.4 -0.948 52.1-105.9-152.9 167.5 28.7 26.6 48.0 14 118 A S E A 3 0A 70 -2,-0.3 -11,-0.2 -11,-0.2 50,-0.1 -0.710 360.0 360.0 -87.9 152.3 26.9 25.0 50.9 15 119 A I 0 0 43 -13,-2.4 49,-0.2 -2,-0.3 -1,-0.1 0.337 360.0 360.0-125.0 360.0 26.0 26.9 54.1 16 ! 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 17 337 A D > 0 0 99 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 14.0 36.0 33.7 49.1 18 338 A Y H > + 0 0 10 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.866 360.0 52.2 -60.6 -34.8 34.9 37.2 48.3 19 339 A L H > S+ 0 0 18 2,-0.2 4,-2.0 3,-0.2 5,-0.3 0.925 110.3 47.5 -67.1 -43.8 32.1 35.6 46.3 20 340 A Y H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.966 116.5 41.2 -64.2 -54.6 31.0 33.5 49.3 21 341 A F H X S+ 0 0 94 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.807 114.9 51.1 -66.2 -32.6 31.0 36.3 51.9 22 342 A T H X S+ 0 0 15 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.957 115.5 40.3 -71.8 -51.9 29.4 38.9 49.6 23 343 A T H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.875 115.9 51.7 -63.5 -38.3 26.5 36.7 48.5 24 344 A L H X S+ 0 0 20 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.980 110.6 47.8 -63.9 -51.0 26.0 35.4 52.1 25 345 A A H X S+ 0 0 43 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.860 114.7 45.9 -56.0 -41.7 25.9 38.9 53.6 26 346 A E H X S+ 0 0 53 -4,-1.9 4,-1.9 2,-0.2 3,-0.2 0.943 112.1 50.7 -71.8 -45.5 23.4 40.1 51.0 27 347 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.885 107.1 55.2 -51.4 -41.1 21.3 36.9 51.4 28 348 A Q H X S+ 0 0 59 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.867 106.9 50.9 -65.1 -36.4 21.3 37.4 55.3 29 349 A E H X S+ 0 0 100 -4,-1.5 4,-1.7 -3,-0.2 -1,-0.2 0.874 110.4 47.5 -67.9 -41.3 19.9 40.9 54.8 30 350 A R H X S+ 0 0 67 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.935 113.2 49.1 -61.9 -43.6 17.2 39.6 52.5 31 351 A M H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.888 106.4 57.8 -60.1 -43.0 16.4 36.9 55.1 32 352 A Y H X S+ 0 0 16 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.932 108.4 44.9 -53.6 -50.3 16.4 39.6 57.9 33 353 A D H X S+ 0 0 80 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.880 114.6 48.5 -62.3 -44.3 13.6 41.5 56.1 34 354 A Y H X S+ 0 0 49 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.914 112.4 47.4 -63.3 -47.3 11.6 38.4 55.4 35 355 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.891 112.1 48.2 -61.1 -45.5 11.8 37.0 59.0 36 356 A A H <>S+ 0 0 2 -4,-2.3 5,-3.0 -5,-0.2 -1,-0.2 0.907 116.4 44.5 -63.7 -44.4 10.8 40.3 60.7 37 357 A Q H ><5S+ 0 0 145 -4,-1.6 3,-1.7 -5,-0.3 -2,-0.2 0.922 112.0 52.1 -64.1 -45.7 7.9 40.7 58.4 38 358 A R H 3<5S+ 0 0 115 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.941 111.1 47.4 -54.8 -48.4 6.9 37.1 58.7 39 359 A D T 3<5S- 0 0 60 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.337 116.6-116.6 -75.6 2.6 6.9 37.4 62.5 40 360 A N T < 5 + 0 0 141 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.847 51.8 167.7 60.6 34.8 4.9 40.6 62.3 41 361 A V < - 0 0 27 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.0 -0.739 30.9-132.0 -72.5 119.6 7.6 42.8 63.8 42 362 A S > - 0 0 54 -2,-0.6 4,-2.6 1,-0.1 5,-0.1 -0.277 18.5-108.9 -70.3 162.1 6.5 46.5 63.2 43 363 A A H > S+ 0 0 82 2,-0.2 4,-0.9 1,-0.2 -1,-0.1 0.915 122.2 50.9 -51.0 -47.0 8.8 49.2 61.8 44 364 A K H >4 S+ 0 0 68 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.949 110.5 46.2 -57.9 -56.3 8.7 50.8 65.3 45 365 A E H >4 S+ 0 0 103 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.826 106.2 62.0 -57.2 -36.5 9.7 47.6 67.1 46 366 A L H 3< S+ 0 0 37 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.771 89.8 68.5 -59.6 -27.2 12.4 47.1 64.4 47 367 A K T << S+ 0 0 167 -3,-1.4 2,-0.4 -4,-0.9 -1,-0.2 0.684 77.6 101.4 -63.8 -18.2 14.1 50.4 65.6 48 368 A N S <> S- 0 0 87 -3,-1.2 4,-2.4 -4,-0.4 5,-0.2 -0.557 70.0-145.7 -73.2 124.3 15.0 48.6 68.9 49 369 A E H > S+ 0 0 152 -2,-0.4 4,-2.0 2,-0.2 -1,-0.1 0.829 96.2 50.4 -60.8 -39.8 18.7 47.6 68.8 50 370 A A H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 111.9 49.0 -65.7 -44.2 18.3 44.3 70.8 51 371 A T H > S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.912 111.6 49.2 -60.3 -45.2 15.4 43.2 68.5 52 372 A Q H X S+ 0 0 47 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.897 110.0 51.9 -60.0 -41.0 17.5 44.0 65.3 53 373 A K H X S+ 0 0 160 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.922 109.7 48.0 -64.4 -45.3 20.4 42.1 66.7 54 374 A F H X S+ 0 0 110 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.920 112.2 50.1 -58.1 -47.1 18.3 39.0 67.4 55 375 A Y H X S+ 0 0 20 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.868 109.3 52.1 -62.8 -36.0 16.7 39.2 63.8 56 376 A R H X S+ 0 0 125 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.957 114.1 42.0 -61.1 -51.8 20.3 39.5 62.3 57 377 A D H X S+ 0 0 80 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.898 112.9 53.9 -63.6 -39.4 21.4 36.4 64.2 58 378 A L H X S+ 0 0 37 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.923 109.3 49.3 -59.9 -41.7 18.1 34.6 63.4 59 379 A A H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.938 109.9 50.1 -68.4 -43.0 18.6 35.3 59.7 60 380 A A H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.944 114.0 45.4 -56.8 -46.2 22.2 34.0 59.8 61 381 A K H X S+ 0 0 87 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.858 105.9 60.6 -69.7 -32.6 21.0 30.7 61.5 62 382 A E H X S+ 0 0 51 -4,-2.5 4,-0.9 -5,-0.2 6,-0.2 0.884 110.3 41.1 -61.1 -41.5 18.1 30.3 59.1 63 383 A I H < S+ 0 0 0 -4,-1.7 3,-0.5 2,-0.2 -61,-0.4 0.934 113.5 53.2 -70.0 -47.1 20.5 30.1 56.2 64 384 A E H < S+ 0 0 88 -4,-2.3 -62,-0.3 1,-0.2 -2,-0.2 0.830 127.3 19.4 -53.3 -37.4 23.0 27.9 58.1 65 385 A N H < S+ 0 0 123 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.356 109.3 78.2-116.0 -1.8 20.4 25.3 59.1 66 386 A G S < S- 0 0 32 -4,-0.9 206,-0.5 -3,-0.5 -2,-0.1 0.390 82.7-125.0-108.3 -1.5 17.5 25.8 56.7 67 387 A G + 0 0 19 -4,-0.4 -65,-0.2 1,-0.1 2,-0.1 0.902 48.6 165.4 53.4 39.8 18.1 24.3 53.3 68 388 A Y - 0 0 17 -5,-0.4 -65,-2.9 -6,-0.2 2,-0.6 -0.487 33.5-135.0 -77.8 157.4 17.4 27.6 51.4 69 389 A K E -bC 3 270A 91 201,-2.9 201,-2.2 -67,-0.2 2,-0.7 -0.955 17.7-164.6-114.4 112.9 18.3 28.0 47.8 70 390 A I E -bC 4 269A 0 -67,-3.5 -65,-3.1 -2,-0.6 2,-0.7 -0.866 2.5-160.2 -99.1 111.1 20.0 31.4 47.1 71 391 A T E -bC 5 268A 23 197,-2.2 196,-3.2 -2,-0.7 197,-1.5 -0.833 11.2-168.0 -91.6 113.4 20.1 32.3 43.4 72 392 A T E - C 0 266A 1 -67,-2.4 194,-0.2 -2,-0.7 -63,-0.2 -0.458 30.2-125.3 -89.9 167.4 22.8 34.9 42.6 73 393 A T + 0 0 7 192,-1.8 2,-0.1 41,-0.2 193,-0.1 0.326 69.2 130.3 -86.2 0.9 23.2 36.9 39.3 74 394 A I - 0 0 0 191,-0.4 -67,-3.3 -69,-0.3 2,-0.6 -0.370 54.1-144.4 -73.4 133.4 26.8 35.7 39.2 75 395 A D > - 0 0 40 40,-2.6 4,-2.8 -69,-0.2 5,-0.3 -0.880 10.7-151.4 -94.4 114.8 28.2 34.2 36.0 76 396 A Q H > S+ 0 0 75 -2,-0.6 4,-2.7 2,-0.2 5,-0.3 0.919 90.6 44.3 -55.9 -52.3 30.6 31.3 37.0 77 397 A K H > S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 118.1 44.8 -62.7 -45.0 33.0 31.4 33.9 78 398 A I H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.908 114.7 46.7 -66.7 -44.9 33.2 35.2 33.9 79 399 A H H X S+ 0 0 6 -4,-2.8 4,-1.7 36,-0.3 -2,-0.2 0.926 114.6 47.2 -71.1 -42.6 33.7 35.6 37.6 80 400 A S H X S+ 0 0 40 -4,-2.7 4,-2.3 -5,-0.3 5,-0.2 0.921 110.0 53.2 -54.6 -49.9 36.3 32.9 37.7 81 401 A A H X S+ 0 0 18 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.885 108.6 51.2 -55.6 -37.4 38.0 34.4 34.7 82 402 A M H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.837 107.5 52.7 -70.3 -31.7 38.1 37.7 36.7 83 403 A Q H X S+ 0 0 54 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.910 110.6 46.5 -68.8 -43.1 39.7 36.0 39.7 84 404 A S H X S+ 0 0 66 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.840 109.2 56.6 -62.9 -37.1 42.5 34.5 37.6 85 405 A A H X S+ 0 0 3 -4,-1.7 4,-2.5 -5,-0.2 5,-0.3 0.899 110.9 41.2 -62.0 -44.3 43.0 37.9 35.9 86 406 A V H X S+ 0 0 6 -4,-1.5 4,-1.5 3,-0.2 -2,-0.2 0.872 115.4 51.9 -74.2 -34.8 43.6 39.6 39.2 87 407 A A H < S+ 0 0 74 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.963 122.0 31.9 -60.0 -50.9 45.7 36.7 40.5 88 408 A D H < S+ 0 0 95 -4,-3.2 -2,-0.2 1,-0.1 -1,-0.2 0.759 134.2 24.6 -79.8 -32.0 47.9 36.8 37.3 89 409 A Y H >< S+ 0 0 86 -4,-2.5 3,-1.7 -5,-0.2 4,-0.3 0.436 88.5 96.7-119.7 -7.9 47.9 40.6 36.4 90 410 A G G >< S+ 0 0 0 -4,-1.5 3,-2.1 -5,-0.3 4,-0.4 0.824 76.9 68.0 -53.6 -31.9 47.2 42.4 39.7 91 411 A Y G > S+ 0 0 145 1,-0.3 3,-1.3 -4,-0.3 -1,-0.3 0.786 85.1 71.3 -62.3 -25.7 51.0 42.9 40.1 92 412 A L G < S+ 0 0 37 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.674 90.0 60.9 -63.0 -18.4 50.7 45.3 37.1 93 413 A L G < S+ 0 0 0 -3,-2.1 2,-0.5 -4,-0.3 -1,-0.3 0.742 77.6 104.5 -76.1 -28.1 49.0 47.7 39.5 94 414 A D < + 0 0 61 -3,-1.3 5,-0.1 -4,-0.4 -3,-0.0 -0.447 42.2 170.3 -63.9 112.6 52.0 47.9 41.8 95 415 A D - 0 0 30 3,-0.5 -1,-0.1 -2,-0.5 272,-0.1 0.105 62.4 -84.2-111.3 14.4 53.6 51.4 41.0 96 416 A G S S+ 0 0 80 2,-0.2 3,-0.1 269,-0.1 -2,-0.1 0.583 109.9 97.3 90.3 10.5 56.3 51.8 43.7 97 417 A T S S- 0 0 37 1,-0.6 2,-0.1 265,-0.0 265,-0.1 -0.014 100.6 -89.4-112.0 29.4 53.9 53.2 46.4 98 418 A G S S- 0 0 47 2,-0.1 -1,-0.6 260,-0.0 -3,-0.5 -0.324 80.2 -18.7 86.8 178.4 53.4 49.8 48.1 99 419 A R - 0 0 123 -5,-0.1 2,-0.5 -3,-0.1 -8,-0.1 -0.405 68.7-139.7 -59.6 124.8 50.8 47.1 47.3 100 420 A V - 0 0 0 -2,-0.2 258,-0.2 -10,-0.2 2,-0.1 -0.780 11.4-146.2 -93.5 123.3 48.0 48.6 45.3 101 421 A E E -E 357 0B 9 256,-2.1 256,-1.6 -2,-0.5 2,-0.3 -0.456 17.9-168.5 -83.9 165.8 44.4 47.5 46.1 102 422 A V E -E 356 0B 0 254,-0.2 2,-0.3 -2,-0.1 28,-0.3 -0.998 15.7-169.1-156.6 140.9 41.7 47.2 43.5 103 423 A G E +E 355 0B 0 252,-2.4 252,-2.3 -2,-0.3 2,-0.4 -0.998 9.5 176.5-137.7 146.8 38.0 46.7 43.0 104 424 A N E -EF 354 118B 0 14,-2.2 14,-2.6 -2,-0.3 2,-0.4 -0.999 9.5-168.1-142.6 146.3 35.9 46.0 40.0 105 425 A V E -EF 353 117B 0 248,-1.4 248,-2.4 -2,-0.4 2,-0.5 -0.998 8.4-156.3-134.1 134.0 32.3 45.3 39.3 106 426 A L E -EF 352 116B 0 10,-2.7 9,-2.0 -2,-0.4 10,-1.0 -0.945 20.0-173.8-112.4 122.1 30.8 44.0 36.0 107 427 A M E -EF 351 114B 0 244,-3.2 244,-2.2 -2,-0.5 2,-0.5 -0.902 28.7-122.8-124.0 139.7 27.2 44.8 35.4 108 428 A D E >> -E 350 0B 40 5,-3.0 4,-2.5 -2,-0.4 3,-0.6 -0.644 21.3-149.8 -76.0 121.6 24.5 43.9 32.8 109 429 A N T 34 S+ 0 0 0 240,-2.8 -1,-0.1 -2,-0.5 241,-0.1 0.801 92.9 48.7 -68.7 -23.8 23.3 47.2 31.4 110 430 A Q T 34 S+ 0 0 125 239,-0.5 -1,-0.2 1,-0.1 240,-0.1 0.632 127.0 21.5 -90.7 -16.7 19.8 45.9 30.7 111 431 A T T <4 S- 0 0 56 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.1 0.543 89.0-124.7-124.3 -14.1 19.1 44.3 34.1 112 432 A G < + 0 0 0 -4,-2.5 152,-1.4 1,-0.3 -3,-0.1 0.459 61.2 150.6 72.8 -1.8 21.5 45.9 36.8 113 433 A A B -i 264 0C 11 -5,-0.2 -5,-3.0 150,-0.2 2,-0.8 -0.378 47.8-130.4 -68.6 140.2 22.6 42.3 37.5 114 434 A I E -F 107 0B 1 150,-2.4 -7,-0.3 -7,-0.2 -41,-0.2 -0.819 23.0-176.6 -94.2 111.9 26.2 41.9 38.7 115 435 A L E - 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0 0 0 -4,-1.4 -3,-0.2 -5,-0.3 -4,-0.1 0.845 32.6-171.0 64.8 38.7 39.0 66.4 32.1 197 517 A W < - 0 0 23 -5,-1.1 4,-0.4 -6,-0.3 -1,-0.2 -0.325 13.1-147.9 -55.2 138.2 39.5 70.2 32.5 198 518 A N S >> S+ 0 0 4 2,-0.1 4,-2.2 1,-0.1 3,-0.7 0.889 83.1 62.2 -87.7 -36.4 38.1 71.2 35.9 199 519 A I H 3> S+ 0 0 3 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.882 100.0 53.7 -62.5 -43.3 36.9 74.7 35.4 200 520 A P H 3> S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.851 111.0 48.8 -58.9 -29.3 34.3 73.9 32.7 201 521 A A H <> S+ 0 0 0 -3,-0.7 4,-2.1 -4,-0.4 -2,-0.2 0.887 109.1 52.2 -75.3 -42.2 32.8 71.3 35.2 202 522 A Y H X S+ 0 0 10 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.946 111.5 46.5 -54.2 -52.0 32.8 73.9 38.0 203 523 A W H X S+ 0 0 21 -4,-2.5 4,-2.6 -39,-0.2 250,-0.2 0.829 109.3 54.9 -58.7 -39.6 30.8 76.4 35.8 204 524 A T H X S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.927 110.6 44.5 -64.5 -44.6 28.4 73.7 34.6 205 525 A Y H X S+ 0 0 4 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.853 111.5 53.7 -67.8 -33.0 27.5 72.8 38.2 206 526 A R H X S+ 0 0 103 -4,-1.8 4,-3.1 1,-0.2 5,-0.2 0.929 106.9 52.1 -70.8 -41.7 27.2 76.5 39.2 207 527 A M H X S+ 0 0 27 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.884 107.6 52.1 -59.3 -40.9 24.8 77.0 36.3 208 528 A L H <>S+ 0 0 0 -4,-1.8 5,-2.7 2,-0.2 -1,-0.2 0.927 112.1 46.3 -58.5 -40.9 22.7 74.1 37.6 209 529 A R H ><5S+ 0 0 131 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.921 111.1 51.3 -70.9 -44.7 22.6 75.7 41.1 210 530 A E H 3<5S+ 0 0 130 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.862 111.2 48.6 -55.7 -40.9 21.8 79.1 39.7 211 531 A N T 3<5S- 0 0 91 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.415 111.5-121.9 -82.7 1.6 18.9 77.6 37.7 212 532 A G T < 5 + 0 0 62 -3,-1.4 -3,-0.2 1,-0.2 2,-0.1 0.833 44.5 180.0 62.8 31.3 17.6 75.7 40.8 213 533 A V < - 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0 0 15 -2,-0.3 4,-2.3 -108,-0.2 5,-0.2 -0.554 35.0-114.8 -81.5 165.1 31.4 52.0 46.3 244 564 A V H > S+ 0 0 2 -110,-0.4 4,-2.4 -114,-0.4 5,-0.2 0.920 117.2 54.2 -66.8 -39.8 32.4 50.5 43.0 245 565 A A H > S+ 0 0 2 -114,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.941 111.2 43.3 -58.3 -50.1 29.1 48.7 42.8 246 566 A Q H > S+ 0 0 20 1,-0.2 4,-1.2 2,-0.2 3,-0.2 0.925 114.8 50.3 -61.5 -44.9 27.0 51.9 43.2 247 567 A H H X S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.3 -1,-0.2 0.842 105.3 55.8 -67.5 -33.4 29.2 53.9 40.9 248 568 A T H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.3 0.876 102.0 59.6 -59.0 -39.6 28.9 51.2 38.2 249 569 A N H X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.2 12,-0.2 0.827 101.4 52.8 -59.5 -37.8 25.2 51.6 38.5 250 570 A G H X S+ 0 0 0 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.915 111.5 45.9 -61.3 -44.9 25.5 55.3 37.5 251 571 A Y H X S+ 0 0 2 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.889 107.0 58.5 -71.3 -32.6 27.4 54.3 34.4 252 572 A Q H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 -1,-0.2 0.854 103.0 54.8 -52.7 -44.3 24.9 51.6 33.7 253 573 A T H <>S+ 0 0 0 -4,-1.5 5,-2.3 2,-0.2 6,-0.3 0.937 110.6 43.6 -60.8 -49.9 22.2 54.3 33.6 254 574 A L H ><5S+ 0 0 2 -4,-1.6 3,-0.7 1,-0.2 -2,-0.2 0.933 116.6 47.4 -61.4 -49.0 24.1 56.3 30.9 255 575 A A H 3<5S+ 0 0 3 -4,-2.7 2,-1.0 1,-0.3 -2,-0.2 0.871 104.6 60.8 -55.9 -47.8 24.9 53.1 28.9 256 576 A N T ><5S- 0 0 22 -4,-3.4 3,-2.2 -5,-0.2 -1,-0.3 -0.125 126.7 -96.8 -76.0 38.3 21.3 51.9 29.1 257 577 A N T < 5S- 0 0 64 -2,-1.0 36,-0.2 -3,-0.7 -3,-0.2 0.775 83.4 -47.1 53.0 30.6 20.1 55.0 27.2 258 578 A G T 3 - 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