==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 28-DEC-09 3L7L . COMPND 2 MOLECULE: TEICHOIC ACID BIOSYNTHESIS PROTEIN F; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS; . AUTHOR A.L.LOVERING,N.C.J.STRYNADKA . 1633 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 80259.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1168 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 197 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 0 0.0 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 . 154 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 245 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 493 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 1.3 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 9 1 7 5 5 10 6 1 5 4 1 5 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 15 15 6 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 . 8 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 4 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 1 314 A F 0 0 101 0, 0.0 824,-1.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 106.3 -109.5 59.1 28.7 2 315 A K > - 0 0 146 822,-0.2 4,-2.4 1,-0.1 3,-0.4 -0.331 360.0-133.6 -75.6 139.1 -113.3 59.3 29.1 3 316 A V H > S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.841 105.3 55.2 -60.8 -36.4 -115.8 57.6 26.8 4 317 A N H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.919 111.4 43.9 -63.3 -40.7 -118.0 60.6 26.5 5 318 A Q H > S+ 0 0 64 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.896 108.1 57.9 -68.4 -42.6 -115.1 62.8 25.3 6 319 A F H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.874 107.2 49.4 -55.2 -39.8 -113.7 60.1 22.9 7 320 A R H X S+ 0 0 93 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.935 111.8 45.5 -66.5 -48.7 -117.1 60.1 21.1 8 321 A K H X S+ 0 0 54 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.824 113.2 56.4 -59.2 -32.0 -117.3 63.9 20.7 9 322 A T H X S+ 0 0 23 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.898 106.5 43.7 -74.1 -45.3 -113.7 63.7 19.7 10 323 A L H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.922 110.1 58.7 -62.8 -40.9 -114.1 61.3 16.8 11 324 A R H X S+ 0 0 108 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.877 106.6 47.7 -61.0 -34.7 -117.1 63.1 15.7 12 325 A H H X S+ 0 0 35 -4,-1.5 4,-3.6 2,-0.2 -1,-0.2 0.866 107.6 53.6 -73.9 -38.7 -115.1 66.3 15.3 13 326 A V H X S+ 0 0 4 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.911 108.8 52.1 -59.6 -44.5 -112.3 64.6 13.4 14 327 A K H X S+ 0 0 65 -4,-2.5 4,-2.3 2,-0.2 6,-0.3 0.960 113.5 43.3 -52.0 -53.2 -115.0 63.4 11.0 15 328 A N H X>S+ 0 0 13 -4,-2.0 5,-1.8 1,-0.2 4,-0.7 0.903 115.3 48.1 -65.0 -42.6 -116.3 66.9 10.6 16 329 A I H <5S+ 0 0 47 -4,-3.6 3,-0.3 1,-0.2 -1,-0.2 0.912 117.7 39.4 -62.5 -47.0 -112.8 68.5 10.3 17 330 A V H <5S+ 0 0 11 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.808 118.2 47.4 -76.8 -30.5 -111.5 66.0 7.7 18 331 A L H <5S- 0 0 24 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.485 106.2-125.8 -91.5 -3.2 -114.7 65.8 5.7 19 332 A R T <5 + 0 0 177 -4,-0.7 -3,-0.2 -3,-0.3 -4,-0.1 0.841 43.2 177.6 63.9 33.6 -115.2 69.5 5.7 20 333 A R > < - 0 0 95 -5,-1.8 3,-1.6 -6,-0.3 4,-0.2 -0.406 38.4-129.4 -65.2 141.8 -118.6 69.3 7.1 21 334 A K T > S+ 0 0 191 1,-0.3 3,-0.7 2,-0.1 -1,-0.1 0.719 105.2 70.9 -67.7 -14.1 -120.3 72.6 7.8 22 335 A N T >> + 0 0 69 1,-0.2 3,-2.3 2,-0.1 4,-1.6 0.525 62.8 98.7 -81.7 -7.5 -121.0 71.2 11.2 23 336 A K H <> S+ 0 0 76 -3,-1.6 4,-2.2 -8,-0.3 5,-0.3 0.852 74.5 66.3 -46.7 -35.6 -117.4 71.4 12.4 24 337 A E H <> S+ 0 0 58 -3,-0.7 4,-0.7 1,-0.2 -1,-0.3 0.839 107.1 41.0 -58.5 -27.8 -118.2 74.6 14.2 25 338 A R H <> S+ 0 0 60 -3,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.877 109.7 53.7 -86.9 -45.6 -120.5 72.7 16.5 26 339 A S H X S+ 0 0 9 -4,-1.6 4,-1.1 1,-0.3 -14,-0.2 0.848 109.3 51.5 -63.7 -34.0 -118.4 69.6 17.1 27 340 A L H X S+ 0 0 72 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.3 0.875 111.1 48.0 -68.9 -37.3 -115.5 71.8 18.2 28 341 A Y H X S+ 0 0 9 -4,-0.7 4,-2.1 -5,-0.3 -2,-0.2 0.920 106.0 56.4 -68.8 -44.4 -117.9 73.6 20.6 29 342 A D H < S+ 0 0 34 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.803 111.0 47.6 -58.3 -29.6 -119.2 70.4 22.0 30 343 A L H < S+ 0 0 35 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.938 118.4 33.0 -76.3 -53.0 -115.6 69.4 22.9 31 344 A T H < S+ 0 0 61 -4,-1.9 2,-0.8 -5,-0.1 -2,-0.2 0.598 83.0 120.3 -86.6 -12.5 -114.3 72.5 24.5 32 345 A D < + 0 0 25 -4,-2.1 2,-0.3 -5,-0.2 -4,-0.0 -0.381 39.4 163.0 -62.4 103.1 -117.5 73.6 26.1 33 346 A K > - 0 0 118 -2,-0.8 3,-2.0 1,-0.0 4,-0.3 -0.853 53.4-108.9-121.8 157.6 -116.6 73.6 29.8 34 347 A E G > S+ 0 0 104 -2,-0.3 3,-0.9 1,-0.3 -2,-0.1 0.709 111.4 69.0 -56.9 -19.3 -118.3 75.2 32.8 35 348 A D G 3 S+ 0 0 146 1,-0.2 -1,-0.3 3,-0.0 -3,-0.1 0.604 79.9 72.1 -80.5 -14.1 -115.4 77.7 33.0 36 349 A N G < S+ 0 0 45 -3,-2.0 2,-0.5 67,-0.1 -1,-0.2 0.687 71.5 111.3 -74.0 -16.3 -116.2 79.7 29.9 37 350 A V < - 0 0 19 -3,-0.9 68,-0.2 -4,-0.3 67,-0.2 -0.438 53.0-163.3 -67.0 113.4 -119.2 81.2 31.5 38 351 A K > - 0 0 104 66,-2.0 3,-1.7 -2,-0.5 68,-0.4 -0.890 19.2-138.3 -91.6 125.6 -118.6 84.9 32.1 39 352 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 369,-0.1 0.690 96.8 53.5 -66.7 -16.4 -121.3 85.8 34.7 40 353 A K T 3 S+ 0 0 97 368,-0.1 31,-2.4 66,-0.1 2,-0.4 0.123 82.5 102.9-108.0 23.1 -122.1 89.1 32.9 41 354 A T E < -a 71 0A 1 -3,-1.7 65,-2.2 63,-0.3 66,-1.2 -0.873 46.3-174.7 -98.6 132.9 -122.8 87.8 29.4 42 355 A I E -ab 72 107A 0 29,-2.9 31,-2.8 -2,-0.4 2,-0.4 -0.986 8.0-158.7-129.5 128.4 -126.4 87.5 28.2 43 356 A V E -ab 73 108A 0 64,-2.2 66,-2.5 -2,-0.4 2,-0.4 -0.864 7.2-168.4-104.3 138.3 -127.6 86.1 24.9 44 357 A F E +ab 74 109A 0 29,-2.5 31,-2.5 -2,-0.4 2,-0.3 -0.964 11.0 167.4-120.8 139.7 -131.1 86.9 23.3 45 358 A E E - b 0 110A 2 64,-1.9 66,-0.7 -2,-0.4 2,-0.4 -0.984 14.9-158.6-145.9 142.4 -132.8 85.2 20.5 46 359 A S B >>>S-G 51 0B 0 5,-0.6 4,-1.4 29,-0.5 5,-1.0 -0.984 72.3 -7.5-127.8 135.4 -136.3 85.5 19.4 47 360 A F T 345S- 0 0 75 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.859 131.6 -52.7 49.9 40.3 -138.3 83.1 17.3 48 361 A G T 345S- 0 0 16 1,-0.2 -1,-0.3 -3,-0.1 45,-0.1 0.828 105.5 -55.8 67.5 31.1 -135.2 81.1 16.6 49 362 A G T <45S+ 0 0 0 -3,-0.8 28,-3.7 2,-0.2 29,-0.4 0.829 106.0 115.1 78.1 37.4 -133.2 84.1 15.4 50 363 A K T <5S+ 0 0 116 -4,-1.4 2,-0.3 26,-0.2 -3,-0.1 0.515 78.7 25.0-104.9 -9.7 -135.4 85.5 12.6 51 364 A N B < -G 46 0B 42 -5,-1.0 2,-0.7 24,-0.2 -5,-0.6 -0.958 59.4-132.4-150.7 154.7 -136.2 88.7 14.4 52 365 A Y S S+ 0 0 20 -2,-0.3 2,-0.3 -7,-0.1 31,-0.1 -0.915 79.0 102.0-105.9 94.2 -135.3 91.3 16.9 53 366 A S > + 0 0 5 -2,-0.7 4,-1.0 242,-0.0 5,-0.1 -0.879 45.0 34.8-156.3 179.9 -138.8 91.2 18.3 54 367 A D H >> S- 0 0 19 -2,-0.3 3,-2.3 240,-0.2 4,-1.2 0.175 105.9 -23.6 55.2-167.8 -141.2 90.1 21.0 55 368 A S H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.769 131.8 58.7 -56.6 -35.5 -140.5 89.7 24.7 56 369 A P H 3> S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.827 105.5 53.8 -60.6 -26.7 -136.7 89.2 24.4 57 370 A K H < + 0 0 41 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.2 -0.223 62.3 153.2-147.1 52.8 -127.8 97.8 33.1 68 381 A P T 3 + 0 0 64 0, 0.0 4,-0.1 0, 0.0 -4,-0.1 0.716 62.0 73.6 -57.3 -23.8 -125.6 99.2 30.2 69 382 A N T 3 S+ 0 0 145 2,-0.1 2,-0.3 -3,-0.1 -5,-0.1 0.115 74.9 93.5 -94.2 25.9 -122.5 97.5 31.4 70 383 A Y S < S- 0 0 33 -3,-1.0 2,-0.8 -7,-0.1 -29,-0.2 -0.736 85.1 -99.6-106.0 158.3 -123.1 93.8 30.6 71 384 A R E -a 41 0A 73 -31,-2.4 -29,-2.9 -2,-0.3 2,-0.6 -0.686 41.7-165.1 -76.2 112.8 -122.2 91.9 27.5 72 385 A Y E -a 42 0A 1 -2,-0.8 17,-2.4 15,-0.4 2,-0.4 -0.899 8.6-178.8-103.9 117.0 -125.4 91.9 25.4 73 386 A I E -ac 43 89A 1 -31,-2.8 -29,-2.5 -2,-0.6 2,-0.4 -0.939 10.3-160.1-116.5 131.5 -125.4 89.4 22.5 74 387 A W E -ac 44 90A 0 15,-2.1 17,-2.8 -2,-0.4 2,-0.5 -0.921 10.4-143.3-111.1 142.3 -128.2 88.8 20.0 75 388 A S E + c 0 91A 0 -31,-2.5 -29,-0.5 -2,-0.4 2,-0.3 -0.886 26.8 168.3-109.9 124.8 -128.6 85.6 17.9 76 389 A F E - c 0 92A 0 15,-2.6 17,-2.5 -2,-0.5 -26,-0.2 -0.938 44.2-138.9-137.0 154.1 -129.8 85.8 14.3 77 390 A K S S+ 0 0 109 -28,-3.7 -27,-0.1 -2,-0.3 -1,-0.1 0.901 113.2 15.3 -69.8 -43.9 -130.2 83.8 11.1 78 391 A N S > S- 0 0 70 -29,-0.4 3,-3.0 1,-0.1 -1,-0.2 -0.627 74.3-179.9-131.3 72.6 -129.1 86.8 9.1 79 392 A P G > S+ 0 0 10 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.804 79.4 60.0 -46.8 -39.5 -127.5 89.2 11.5 80 393 A D G 3 S+ 0 0 161 1,-0.3 12,-0.0 -4,-0.1 3,-0.0 0.527 101.5 55.0 -74.1 -2.6 -126.7 91.8 8.8 81 394 A K G < S+ 0 0 157 -3,-3.0 2,-0.4 1,-0.0 -1,-0.3 -0.027 97.3 81.2-112.2 26.2 -130.4 92.1 8.0 82 395 A N < - 0 0 24 -3,-1.6 2,-0.6 -31,-0.1 -31,-0.1 -0.985 65.9-149.9-138.6 126.7 -131.3 92.9 11.6 83 396 A V - 0 0 127 -2,-0.4 -31,-0.1 -31,-0.1 -3,-0.1 -0.837 16.7-176.2-101.7 116.4 -131.1 96.3 13.2 84 397 A V - 0 0 24 -2,-0.6 2,-0.2 4,-0.1 6,-0.0 -0.947 18.2-137.4-116.7 126.6 -130.4 96.3 17.0 85 398 A P + 0 0 66 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.530 60.5 4.9 -71.3 139.2 -130.3 99.4 19.2 86 399 A G S S- 0 0 56 -2,-0.2 -2,-0.1 1,-0.2 -25,-0.0 -0.459 106.9 -23.3 106.5-160.0 -127.6 99.6 21.8 87 400 A S S S+ 0 0 62 -2,-0.2 -15,-0.4 2,-0.0 -1,-0.2 0.424 92.1 117.0 -81.1 0.5 -124.5 98.0 23.2 88 401 A A - 0 0 18 -3,-0.3 2,-0.3 -17,-0.1 -15,-0.2 -0.459 49.3-157.8 -74.7 142.7 -125.5 94.6 21.9 89 402 A E E -c 73 0A 88 -17,-2.4 -15,-2.1 -2,-0.1 2,-0.3 -0.874 17.3-130.8-112.2 154.2 -123.4 92.8 19.3 90 403 A K E -c 74 0A 74 -2,-0.3 2,-0.4 -17,-0.2 -15,-0.2 -0.774 14.6-160.1-116.9 153.3 -124.8 90.1 17.1 91 404 A V E -c 75 0A 5 -17,-2.8 -15,-2.6 -2,-0.3 2,-0.3 -0.958 21.5-119.8-128.9 145.1 -124.0 86.6 15.9 92 405 A K E > -c 76 0A 112 -2,-0.4 3,-1.8 -17,-0.2 6,-0.3 -0.631 42.1-104.3 -81.0 135.9 -124.9 84.3 13.1 93 406 A R T 3 S+ 0 0 53 -17,-2.5 3,-0.1 -2,-0.3 -1,-0.1 -0.308 102.3 12.6 -60.4 136.8 -126.6 81.1 14.1 94 407 A N T 3 S+ 0 0 66 1,-0.3 -1,-0.3 2,-0.1 -70,-0.1 0.478 101.6 122.2 80.5 4.1 -124.3 78.0 13.9 95 408 A S S <> S- 0 0 29 -3,-1.8 4,-1.7 1,-0.1 3,-0.3 -0.326 80.0 -97.5 -91.2 174.7 -121.2 80.1 13.5 96 409 A A H >> S+ 0 0 36 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.985 125.0 46.5 -54.2 -62.1 -118.0 80.2 15.6 97 410 A E H 3> S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.696 105.3 63.9 -53.0 -26.1 -119.2 83.3 17.5 98 411 A Y H 3> S+ 0 0 0 -6,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.954 105.1 42.2 -66.7 -50.8 -122.6 81.7 18.0 99 412 A Y H X S+ 0 0 98 -4,-1.8 4,-3.2 -5,-0.2 3,-0.8 0.987 107.6 49.3 -56.6 -59.0 -119.0 81.2 21.9 101 414 A A H 3X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.912 114.5 44.6 -49.5 -50.9 -121.9 83.4 22.9 102 415 A Y H 3< S+ 0 0 2 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.758 114.9 48.4 -69.7 -26.0 -123.9 80.4 24.1 103 416 A S H << S+ 0 0 7 -4,-1.8 -2,-0.2 -3,-0.8 -1,-0.2 0.896 115.8 42.7 -77.0 -43.2 -121.0 78.9 26.0 104 417 A E H < S+ 0 0 21 -4,-3.2 -66,-2.0 -67,-0.2 -63,-0.3 0.834 90.7 105.9 -70.0 -36.3 -119.9 82.1 27.7 105 418 A A < - 0 0 0 -4,-2.2 -63,-0.2 -5,-0.3 3,-0.1 -0.096 50.4-163.4 -62.1 140.8 -123.4 83.4 28.7 106 419 A S S S+ 0 0 0 -65,-2.2 19,-3.7 -68,-0.4 2,-0.4 0.683 82.9 38.5 -85.5 -21.8 -124.7 83.2 32.3 107 420 A H E -bd 42 125A 0 -66,-1.2 -64,-2.2 17,-0.2 2,-0.5 -0.993 61.3-161.7-138.7 131.5 -128.2 83.8 30.9 108 421 A W E -bd 43 126A 1 17,-2.8 19,-3.8 -2,-0.4 2,-0.5 -0.944 12.9-171.9-106.5 125.8 -130.2 82.7 27.9 109 422 A V E +bd 44 127A 1 -66,-2.5 -64,-1.9 -2,-0.5 2,-0.3 -0.974 22.4 136.5-116.7 122.2 -133.3 84.7 27.1 110 423 A S E -bd 45 128A 2 17,-1.8 19,-2.3 -2,-0.5 20,-0.8 -0.994 49.0-141.1-162.0 165.7 -135.7 83.5 24.4 111 424 A N S S+ 0 0 0 -66,-0.7 2,-0.3 -2,-0.3 -65,-0.1 0.074 84.5 39.3-114.1 20.8 -139.3 83.0 23.4 112 425 A A S S- 0 0 20 -67,-0.2 18,-0.1 18,-0.1 17,-0.1 -0.966 101.1 -63.1-158.3 169.7 -139.1 79.7 21.6 113 426 A R - 0 0 87 -2,-0.3 -2,-0.1 15,-0.0 3,-0.1 -0.360 46.7-148.3 -58.6 130.6 -137.3 76.4 21.9 114 427 A T - 0 0 4 1,-0.1 -4,-0.0 -4,-0.1 -1,-0.0 -0.838 36.7 -84.1 -99.9 147.4 -133.6 76.7 21.6 115 428 A P > - 0 0 23 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.002 25.9-133.7 -55.4 151.5 -131.8 73.8 19.9 116 429 A L T 3 S+ 0 0 64 1,-0.2 4,-0.2 3,-0.1 -2,-0.0 0.770 99.4 69.7 -78.3 -28.1 -130.7 70.7 21.9 117 430 A Y T 3 S+ 0 0 74 2,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.669 82.4 93.7 -65.8 -11.7 -127.2 70.4 20.6 118 431 A L S < S- 0 0 0 -3,-0.7 2,-0.8 1,-0.0 -4,-0.0 -0.689 82.7-128.5 -78.8 128.3 -126.6 73.6 22.6 119 432 A N - 0 0 53 -2,-0.4 2,-1.1 1,-0.0 -2,-0.1 -0.704 18.0-165.0 -89.0 110.2 -125.2 72.7 26.0 120 433 A K - 0 0 45 -2,-0.8 -17,-0.1 -4,-0.2 6,-0.1 -0.756 19.1-158.9 -91.2 94.8 -127.1 74.3 28.9 121 434 A K > - 0 0 23 -2,-1.1 3,-1.5 1,-0.1 -88,-0.0 -0.207 31.1-110.7 -74.4 165.0 -124.7 73.8 31.9 122 435 A E T 3 S+ 0 0 186 1,-0.3 -1,-0.1 3,-0.1 -2,-0.0 0.799 118.0 66.9 -59.6 -33.7 -125.7 73.9 35.6 123 436 A N T 3 S+ 0 0 56 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 0.718 93.2 69.0 -48.3 -38.1 -123.8 77.1 35.5 124 437 A Q < - 0 0 1 -3,-1.5 2,-0.6 -17,-0.0 -17,-0.2 -0.679 69.5-136.3-105.7 147.2 -126.2 79.0 33.3 125 438 A T E -d 107 0A 20 -19,-3.7 -17,-2.8 -2,-0.3 2,-0.6 -0.894 15.4-164.6-103.0 116.2 -129.7 80.4 33.6 126 439 A Y E -d 108 0A 0 -2,-0.6 42,-1.6 39,-0.4 41,-1.5 -0.891 6.9-165.2-100.8 112.6 -132.1 79.8 30.7 127 440 A I E -de 109 168A 0 -19,-3.8 -17,-1.8 -2,-0.6 2,-0.6 -0.899 1.8-160.1-104.2 121.8 -135.2 82.0 30.9 128 441 A Q E +de 110 169A 0 40,-2.8 42,-2.9 -2,-0.5 -17,-0.2 -0.893 19.6 172.4-106.9 119.8 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18.4-132.3-100.9 134.9 -143.1 72.6 37.9 188 501 A E G >4 S+ 0 0 76 -2,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.868 106.0 68.2 -50.7 -36.1 -145.2 75.5 39.3 189 502 A E G 34 S+ 0 0 183 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.903 100.7 44.9 -45.8 -51.1 -142.0 76.4 41.1 190 503 A R G <4 S+ 0 0 91 -3,-1.1 -21,-2.0 -22,-0.1 2,-0.4 0.471 93.2 100.3 -80.3 -4.8 -140.2 77.5 37.9 191 504 A I E << -f 169 0A 17 -3,-1.5 2,-0.6 -4,-0.6 -21,-0.2 -0.670 56.7-156.5 -86.2 135.4 -143.2 79.4 36.4 192 505 A L E -f 170 0A 21 -23,-3.0 -21,-2.6 -2,-0.4 2,-1.2 -0.900 0.7-161.1-112.9 106.4 -143.3 83.2 36.6 193 506 A E E +f 171 0A 52 -2,-0.6 -23,-0.1 -23,-0.2 -19,-0.0 -0.718 53.5 111.5 -84.1 99.3 -146.8 84.8 36.4 194 507 A I S S- 0 0 17 -23,-1.3 196,-0.7 -2,-1.2 199,-0.3 0.447 74.3-113.7-140.7 -17.4 -146.0 88.3 35.5 195 508 A G - 0 0 0 -24,-1.5 -24,-0.1 -3,-0.4 -1,-0.1 -0.305 49.4 -44.0 97.3 175.5 -147.3 88.7 31.9 196 509 A Y > - 0 0 1 1,-0.1 3,-2.2 -2,-0.1 4,-0.5 -0.662 36.5-145.9 -89.0 128.5 -145.5 89.2 28.6 197 510 A P G > S+ 0 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520 A N T 3 S+ 0 0 156 -3,-0.2 2,-0.5 -4,-0.2 -1,-0.3 0.363 86.8 114.0-109.6 3.7 -152.6 106.6 25.9 208 521 A D <> - 0 0 59 -3,-1.4 4,-1.6 1,-0.2 5,-0.1 -0.650 45.7-173.0 -73.4 120.2 -149.2 108.0 24.8 209 522 A Q H > S+ 0 0 111 -2,-0.5 4,-3.2 2,-0.2 5,-0.2 0.909 76.0 56.6 -92.4 -43.5 -150.1 110.0 21.8 210 523 A E H > S+ 0 0 157 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.853 114.2 48.5 -54.6 -29.6 -146.8 111.2 20.3 211 524 A Y H > S+ 0 0 13 2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.949 108.9 48.2 -75.7 -52.6 -146.2 107.4 20.2 212 525 A L H X S+ 0 0 22 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.904 111.3 55.5 -51.9 -39.6 -149.5 106.4 18.6 213 526 A D H X S+ 0 0 81 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.828 105.6 48.9 -66.1 -37.9 -148.7 109.2 16.0 214 527 A E H X S+ 0 0 110 -4,-1.3 4,-3.9 -3,-0.4 5,-0.4 0.994 112.2 46.8 -61.5 -64.6 -145.3 107.8 15.0 215 528 A I H X S+ 0 0 4 -4,-1.8 4,-0.7 1,-0.3 -2,-0.2 0.826 114.4 50.8 -46.2 -36.1 -146.6 104.3 14.5 216 529 A R H <>S+ 0 0 47 -4,-1.8 5,-1.9 -5,-0.3 -1,-0.3 0.925 117.4 35.9 -73.2 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1596 683 D V H X S+ 0 0 3 -4,-0.7 4,-0.9 -7,-0.2 -2,-0.2 0.886 105.6 57.4 -65.8 -40.3 -50.1 90.3 2.0 1597 684 D Q H < S+ 0 0 53 -4,-1.7 3,-0.2 1,-0.2 -1,-0.2 0.905 114.5 36.1 -58.6 -46.3 -52.2 91.7 -0.9 1598 685 D Q H >X S+ 0 0 166 -4,-1.6 3,-1.3 2,-0.2 4,-0.5 0.910 111.4 59.5 -71.2 -46.9 -49.3 91.7 -3.3 1599 686 D Q H 3< S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.672 123.2 25.3 -57.6 -17.0 -47.7 88.5 -2.0 1600 687 D Y T 3X S+ 0 0 31 -4,-0.9 4,-3.6 -3,-0.2 -1,-0.3 0.210 83.6 109.1-132.5 11.3 -51.0 86.8 -2.9 1601 688 D Q H <> S+ 0 0 60 -3,-1.3 4,-2.3 1,-0.2 5,-0.2 0.888 87.8 47.7 -62.0 -33.3 -52.5 88.8 -5.7 1602 689 D E H X S+ 0 0 172 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.948 116.2 42.0 -68.6 -49.6 -51.7 86.0 -8.0 1603 690 D K H > S+ 0 0 104 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.858 113.8 54.4 -62.8 -38.5 -53.2 83.4 -5.7 1604 691 D I H >X S+ 0 0 5 -4,-3.6 4,-2.5 -28,-0.2 3,-0.5 0.969 111.0 43.0 -62.0 -55.2 -56.1 85.6 -4.9 1605 692 D D H 3X S+ 0 0 50 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.861 108.6 58.3 -56.9 -41.2 -57.1 86.1 -8.5 1606 693 D A H 3X S+ 0 0 64 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.855 110.8 45.3 -59.2 -34.2 -56.6 82.4 -9.3 1607 694 D F H XX>S+ 0 0 7 -4,-1.5 4,-2.5 -3,-0.5 3,-0.9 0.911 110.9 50.7 -70.8 -51.2 -59.2 81.8 -6.6 1608 695 D Y H 3X5S+ 0 0 62 -4,-2.5 4,-1.3 1,-0.2 5,-0.4 0.843 110.0 53.3 -55.0 -34.9 -61.6 84.5 -7.9 1609 696 D D H 3<5S+ 0 0 102 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.660 115.3 36.7 -82.1 -17.2 -61.3 82.9 -11.3 1610 697 D R H <<5S+ 0 0 112 -3,-0.9 -199,-0.4 -4,-0.5 -200,-0.2 0.850 133.7 18.1 -95.9 -46.2 -62.2 79.4 -10.2 1611 698 D F H <5S+ 0 0 7 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.596 130.5 36.1-106.4 -16.7 -64.9 80.0 -7.6 1612 699 D C S >< + 0 0 128 -188,-0.2 4,-2.1 1,-0.1 3,-0.5 0.397 48.6 103.4 -96.1 1.0 -78.0 89.2 -10.9 1619 706 D A H > S+ 0 0 2 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.905 74.1 52.1 -57.2 -54.9 -78.9 85.9 -9.1 1620 707 D S H > S+ 0 0 2 -187,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.867 111.3 53.0 -47.1 -40.1 -82.0 87.1 -7.1 1621 708 D Q H > S+ 0 0 79 -3,-0.5 4,-3.3 2,-0.2 5,-0.3 0.995 106.3 49.8 -56.6 -65.3 -83.2 88.4 -10.5 1622 709 D Y H X S+ 0 0 118 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.847 117.8 40.0 -47.5 -45.8 -82.8 85.1 -12.3 1623 710 D I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.4 0.998 113.9 51.8 -65.0 -65.4 -84.7 83.2 -9.5 1624 711 D G H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.841 116.4 43.4 -35.9 -47.1 -87.3 85.9 -8.9 1625 712 D D H X S+ 0 0 57 -4,-3.3 4,-3.1 -5,-0.2 5,-0.4 0.983 109.5 54.2 -65.0 -59.7 -88.0 85.8 -12.7 1626 713 D L H X S+ 0 0 26 -4,-2.8 4,-3.0 -5,-0.3 -2,-0.2 0.896 111.9 46.6 -39.9 -53.5 -87.9 82.0 -13.0 1627 714 D I H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -1,-0.3 0.905 112.4 50.0 -57.6 -44.5 -90.6 81.8 -10.3 1628 715 D H H X S+ 0 0 44 -4,-1.8 4,-0.6 -5,-0.4 3,-0.3 0.950 113.9 43.7 -60.9 -51.2 -92.6 84.5 -12.0 1629 716 D K H >X S+ 0 0 119 -4,-3.1 3,-1.7 1,-0.2 4,-1.6 0.937 110.9 58.2 -54.2 -48.4 -92.5 82.8 -15.3 1630 717 D D H 3X S+ 0 0 21 -4,-3.0 4,-1.3 -5,-0.4 -1,-0.2 0.818 105.7 47.7 -53.3 -37.2 -93.2 79.5 -13.6 1631 718 D I H 3< S+ 0 0 0 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.478 103.9 62.3 -90.9 -1.9 -96.5 80.8 -12.1 1632 719 D K H X< S+ 0 0 129 -3,-1.7 3,-2.1 -4,-0.6 -2,-0.2 0.921 103.7 46.5 -78.6 -53.1 -97.6 82.2 -15.4 1633 720 D E H >X S+ 0 0 94 -4,-1.6 3,-1.4 1,-0.3 4,-1.0 0.931 112.2 51.4 -51.3 -49.7 -97.7 78.8 -17.1 1634 721 D Q T 3< S+ 0 0 75 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.139 106.5 57.2 -78.7 22.0 -99.5 77.3 -14.2 1635 722 D L T <4 S+ 0 0 94 -3,-2.1 -1,-0.3 -360,-0.1 -2,-0.2 0.030 104.4 51.1-134.6 22.3 -102.1 80.2 -14.4 1636 723 D E T <4 0 0 162 -3,-1.4 -2,-0.2 0, 0.0 -3,-0.1 0.701 360.0 360.0-127.6 -59.6 -103.2 79.6 -17.9 1637 724 D H < 0 0 227 -4,-1.0 -3,-0.1 0, 0.0 -4,-0.0 0.999 360.0 360.0 -66.7 360.0 -104.2 76.0 -18.9