==== 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 3L7K . COMPND 2 MOLECULE: TEICHOIC ACID BIOSYNTHESIS PROTEIN F; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS; . AUTHOR N.C.J.STRYNADKA,A.L.LOVERING . 1625 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 78971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1145 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 200 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 156 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 233 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 482 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.2 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 8 1 8 4 4 8 7 3 3 5 0 5 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 14 14 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 PARALLEL BRIDGES PER LADDER . 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 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 0 105 0, 0.0 823,-1.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 96.9 -109.1 59.0 28.8 2 315 A K > - 0 0 137 821,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.433 360.0-129.8 -84.7 146.5 -112.9 59.2 29.1 3 316 A V H > S+ 0 0 62 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.753 106.5 53.2 -65.7 -25.5 -115.4 57.4 26.8 4 317 A N H > S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.933 109.0 46.0 -77.3 -44.0 -117.4 60.6 26.3 5 318 A Q H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.863 109.6 58.1 -61.9 -35.5 -114.5 62.8 25.2 6 319 A F H X S+ 0 0 5 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.862 106.7 46.5 -64.9 -36.3 -113.3 60.0 22.9 7 320 A R H X S+ 0 0 99 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.915 113.8 46.9 -71.7 -42.0 -116.6 60.0 21.0 8 321 A K H X S+ 0 0 50 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.790 113.4 53.7 -67.0 -26.8 -116.7 63.8 20.7 9 322 A T H X S+ 0 0 24 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.953 109.2 42.7 -73.1 -53.5 -113.1 63.5 19.6 10 323 A L H X S+ 0 0 10 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.898 111.6 57.5 -62.3 -38.5 -113.5 61.0 16.8 11 324 A R H X S+ 0 0 110 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.937 108.0 46.8 -57.0 -46.4 -116.6 62.9 15.6 12 325 A H H X S+ 0 0 34 -4,-1.5 4,-3.6 2,-0.2 -1,-0.2 0.873 106.3 56.3 -64.5 -41.7 -114.6 66.0 15.2 13 326 A V H X S+ 0 0 6 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.905 108.9 49.7 -56.1 -43.6 -111.7 64.4 13.4 14 327 A K H X S+ 0 0 62 -4,-2.1 4,-1.9 2,-0.2 6,-0.3 0.887 112.2 46.8 -63.4 -42.3 -114.3 63.2 10.9 15 328 A N H X>S+ 0 0 12 -4,-1.9 5,-2.0 -5,-0.2 4,-0.7 0.960 114.1 46.8 -64.7 -48.9 -115.7 66.7 10.5 16 329 A I H ><5S+ 0 0 48 -4,-3.6 3,-0.6 1,-0.2 -2,-0.2 0.916 117.5 41.6 -55.9 -48.2 -112.3 68.3 10.2 17 330 A V H 3<5S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.832 116.8 47.0 -72.9 -34.7 -111.0 65.8 7.6 18 331 A L H 3<5S- 0 0 33 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.419 107.9-123.1 -89.9 0.7 -114.2 65.6 5.6 19 332 A R T <<5 + 0 0 174 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.1 0.828 46.8 175.6 61.8 35.5 -114.6 69.4 5.5 20 333 A R > < - 0 0 82 -5,-2.0 3,-1.2 -6,-0.3 -1,-0.2 -0.382 38.8-129.0 -71.2 150.0 -118.0 69.2 7.1 21 334 A K T > S+ 0 0 147 1,-0.3 3,-1.0 2,-0.1 4,-0.2 0.771 104.5 66.2 -71.9 -23.2 -119.8 72.4 8.0 22 335 A N T >> + 0 0 59 1,-0.2 4,-2.1 2,-0.2 3,-1.9 0.555 64.0 102.3 -78.9 -6.7 -120.4 71.1 11.6 23 336 A K H <> S+ 0 0 95 -3,-1.2 4,-2.2 1,-0.3 -1,-0.2 0.817 79.0 61.0 -42.2 -30.5 -116.7 71.1 12.4 24 337 A E H <> S+ 0 0 52 -3,-1.0 4,-1.8 2,-0.2 -1,-0.3 0.899 108.2 41.9 -64.8 -40.3 -117.7 74.3 14.3 25 338 A R H <> S+ 0 0 65 -3,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.930 112.5 51.5 -68.3 -52.5 -120.1 72.3 16.4 26 339 A S H X S+ 0 0 7 -4,-2.1 4,-1.1 1,-0.2 -14,-0.2 0.832 110.9 49.7 -61.0 -36.4 -117.8 69.3 17.0 27 340 A L H >X S+ 0 0 73 -4,-2.2 4,-2.0 -5,-0.3 3,-0.8 0.969 110.1 50.0 -63.0 -55.2 -115.1 71.6 18.1 28 341 A Y H 3X S+ 0 0 9 -4,-1.8 4,-1.8 1,-0.3 -2,-0.2 0.861 106.1 56.4 -50.8 -41.1 -117.4 73.4 20.5 29 342 A D H 3< S+ 0 0 33 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.851 110.3 46.1 -64.3 -33.9 -118.6 70.1 22.0 30 343 A L H << S+ 0 0 35 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.2 0.969 117.0 37.6 -69.6 -58.5 -115.0 69.2 22.9 31 344 A T H < S+ 0 0 77 -4,-2.0 -2,-0.2 2,-0.0 -3,-0.1 0.681 87.6 115.5 -75.8 -19.7 -113.6 72.4 24.4 32 345 A D < + 0 0 22 -4,-1.8 2,-0.3 -5,-0.3 3,-0.0 -0.218 34.6 140.5 -55.8 137.6 -116.8 73.3 26.3 33 346 A K > - 0 0 128 70,-0.1 3,-1.8 1,-0.0 4,-0.2 -0.939 64.7 -91.6-172.3 157.5 -116.5 73.3 30.1 34 347 A E G > S+ 0 0 101 -2,-0.3 3,-2.1 1,-0.3 -2,-0.0 0.809 112.1 71.7 -47.6 -38.4 -117.7 75.4 33.1 35 348 A D G 3 S+ 0 0 147 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.1 0.601 84.5 66.8 -62.1 -15.8 -114.6 77.6 33.1 36 349 A N G < S+ 0 0 41 -3,-1.8 2,-0.9 67,-0.1 -1,-0.3 0.574 74.8 110.7 -79.2 -8.5 -115.5 79.4 29.9 37 350 A V < - 0 0 21 -3,-2.1 68,-0.2 -4,-0.2 67,-0.1 -0.572 49.7-166.8 -83.3 102.4 -118.5 81.0 31.6 38 351 A K E > -a 105 0A 103 66,-1.0 3,-1.5 -2,-0.9 68,-0.6 -0.775 17.6-143.6 -82.5 119.0 -118.1 84.8 32.1 39 352 A P E 3 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 369,-0.1 0.638 94.6 59.2 -66.3 -13.0 -120.9 85.7 34.5 40 353 A K E 3 S+ 0 0 103 29,-0.1 31,-2.9 30,-0.0 2,-0.4 0.016 83.7 100.9-105.2 30.8 -121.5 89.1 32.8 41 354 A T E < - b 0 71A 1 -3,-1.5 65,-2.0 63,-0.2 66,-1.2 -0.952 46.7-176.7-112.7 131.5 -122.3 87.6 29.4 42 355 A I E -ab 107 72A 0 29,-2.3 31,-3.1 -2,-0.4 2,-0.4 -0.980 9.2-158.2-129.3 124.2 -125.9 87.3 28.1 43 356 A V E -ab 108 73A 0 64,-2.1 66,-2.7 -2,-0.4 2,-0.4 -0.828 7.6-166.8 -99.4 142.6 -127.1 85.8 24.9 44 357 A F E +ab 109 74A 0 29,-2.4 31,-2.8 -2,-0.4 2,-0.3 -0.969 10.1 172.1-123.9 138.6 -130.4 86.7 23.3 45 358 A E E -ab 110 75A 0 64,-1.7 66,-0.7 -2,-0.4 2,-0.4 -0.981 13.6-158.2-143.7 138.2 -132.2 84.8 20.5 46 359 A S B >>>S-G 51 0B 0 5,-0.5 3,-1.5 29,-0.5 4,-1.2 -0.973 71.3 -14.9-122.9 133.8 -135.6 85.4 19.3 47 360 A F T 345S- 0 0 71 -2,-0.4 3,-0.3 1,-0.3 -1,-0.2 0.849 129.7 -50.8 43.4 44.5 -137.8 83.0 17.4 48 361 A G T 345S- 0 0 12 1,-0.2 -1,-0.3 -3,-0.1 28,-0.1 0.779 107.2 -56.2 68.1 26.3 -134.7 80.8 16.6 49 362 A G T <45S+ 0 0 0 -3,-1.5 28,-3.4 2,-0.2 29,-0.5 0.727 106.2 114.3 84.2 27.4 -132.7 83.8 15.3 50 363 A K T <5S+ 0 0 116 -4,-1.2 2,-0.3 -3,-0.3 -3,-0.1 0.775 78.4 22.5 -91.9 -28.3 -134.9 85.2 12.6 51 364 A N B < -G 46 0B 37 -5,-1.0 -5,-0.5 31,-0.1 2,-0.5 -0.750 60.0-129.5-130.0 167.6 -135.7 88.5 14.3 52 365 A Y S S+ 0 0 20 -2,-0.3 2,-0.2 -7,-0.1 31,-0.1 -0.909 79.5 96.5-110.9 95.5 -134.7 91.1 16.8 53 366 A S > + 0 0 4 -2,-0.5 4,-1.5 242,-0.0 5,-0.1 -0.773 45.6 41.5-155.9-169.8 -138.2 91.1 18.3 54 367 A D H >> S- 0 0 15 240,-0.2 4,-1.1 -2,-0.2 3,-0.7 0.160 104.2 -23.0 50.8-156.4 -140.6 89.8 21.0 55 368 A S H 3> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.735 131.6 56.6 -69.9 -29.3 -139.9 89.4 24.7 56 369 A P H 3> S+ 0 0 0 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.866 102.6 58.5 -68.8 -30.0 -136.1 89.0 24.5 57 370 A K H < + 0 0 31 -4,-2.6 3,-1.4 -5,-0.2 -1,-0.2 -0.169 56.3 150.2-148.4 51.8 -127.3 97.6 33.2 68 381 A P T 3 + 0 0 77 0, 0.0 4,-0.1 0, 0.0 -4,-0.1 0.545 60.3 89.2 -65.7 -5.7 -125.0 98.7 30.3 69 382 A N T 3 S+ 0 0 100 2,-0.1 -29,-0.1 -3,-0.1 -5,-0.1 0.858 74.7 77.3 -56.7 -41.8 -122.2 97.1 32.3 70 383 A Y S < S- 0 0 17 -3,-1.4 2,-0.7 -7,-0.1 -29,-0.2 -0.107 86.5-105.3 -79.2 164.5 -122.6 93.6 30.8 71 384 A R E -b 41 0A 64 -31,-2.9 -29,-2.3 17,-0.0 2,-0.5 -0.795 38.2-160.3 -83.6 118.5 -121.6 92.0 27.5 72 385 A Y E -b 42 0A 2 -2,-0.7 17,-2.5 -31,-0.2 2,-0.4 -0.901 8.9-174.0-104.7 128.1 -124.8 91.6 25.4 73 386 A I E -bc 43 89A 1 -31,-3.1 -29,-2.4 -2,-0.5 2,-0.4 -0.972 7.9-162.2-121.9 131.4 -124.9 89.1 22.6 74 387 A W E -bc 44 90A 0 15,-2.8 17,-2.5 -2,-0.4 2,-0.4 -0.922 10.1-147.4-108.8 140.3 -127.6 88.6 20.0 75 388 A S E +bc 45 91A 0 -31,-2.8 -29,-0.5 -2,-0.4 2,-0.3 -0.880 25.0 167.4-106.5 134.4 -127.9 85.4 17.9 76 389 A F E - c 0 92A 0 15,-2.5 17,-2.6 -2,-0.4 -26,-0.2 -0.946 44.6-134.6-140.8 158.6 -129.3 85.6 14.3 77 390 A K S S+ 0 0 107 -28,-3.4 -27,-0.1 -2,-0.3 -1,-0.1 0.890 112.7 16.3 -73.3 -44.5 -129.6 83.5 11.2 78 391 A N S > S+ 0 0 93 -29,-0.5 3,-1.8 1,-0.1 -1,-0.3 -0.763 72.0 177.8-132.3 85.2 -128.5 86.6 9.2 79 392 A P G > S+ 0 0 13 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.783 77.3 64.4 -63.4 -29.8 -126.9 89.1 11.5 80 393 A D G 3 S+ 0 0 160 1,-0.3 3,-0.0 -4,-0.1 12,-0.0 0.499 101.9 53.6 -75.2 -0.7 -126.1 91.6 8.7 81 394 A K G < S+ 0 0 179 -3,-1.8 2,-0.4 1,-0.1 -1,-0.3 0.058 94.7 84.1-117.0 21.8 -129.8 92.0 8.2 82 395 A N < - 0 0 26 -3,-1.6 2,-0.6 -31,-0.1 -1,-0.1 -0.963 63.4-148.7-135.3 120.6 -130.8 92.8 11.7 83 396 A V - 0 0 125 -2,-0.4 -31,-0.1 -31,-0.1 -3,-0.0 -0.728 17.4-172.0 -86.6 120.0 -130.6 96.2 13.4 84 397 A V - 0 0 24 -2,-0.6 2,-0.2 4,-0.1 -2,-0.0 -0.930 17.1-138.1-120.0 112.6 -129.9 96.1 17.1 85 398 A P + 0 0 61 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.438 65.4 8.3 -61.3 128.0 -130.1 99.2 19.4 86 399 A G S S- 0 0 54 -2,-0.2 -2,-0.1 1,-0.2 -25,-0.0 -0.606 106.8 -35.5 110.3-161.0 -127.2 99.4 21.9 87 400 A S S S+ 0 0 73 -2,-0.2 -1,-0.2 -23,-0.1 -15,-0.0 0.723 86.8 121.3 -80.6 -21.6 -123.9 97.8 22.9 88 401 A A - 0 0 13 -3,-0.3 2,-0.3 1,-0.1 -15,-0.2 -0.027 52.9-142.2 -53.8 140.0 -124.8 94.2 22.0 89 402 A E E -c 73 0A 98 -17,-2.5 -15,-2.8 2,-0.0 2,-0.3 -0.735 16.3-128.6 -98.9 155.4 -122.8 92.4 19.4 90 403 A K E -c 74 0A 83 -2,-0.3 2,-0.4 -17,-0.2 -15,-0.2 -0.760 17.2-163.4-107.7 149.7 -124.3 90.0 16.9 91 404 A V E -c 75 0A 10 -17,-2.5 -15,-2.5 -2,-0.3 2,-0.3 -0.993 20.8-123.5-133.7 135.9 -123.5 86.4 16.0 92 405 A K E > -c 76 0A 120 -2,-0.4 3,-1.4 -17,-0.2 6,-0.3 -0.556 41.1-104.3 -75.6 133.5 -124.4 84.1 13.0 93 406 A R T 3 S+ 0 0 56 -17,-2.6 -1,-0.1 -2,-0.3 3,-0.1 -0.238 102.0 13.8 -57.7 138.2 -126.1 80.9 14.0 94 407 A N T 3 S+ 0 0 29 1,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.741 101.3 117.1 69.9 23.6 -123.8 77.9 13.8 95 408 A S S <> S- 0 0 24 -3,-1.4 4,-1.8 -71,-0.1 3,-0.4 -0.551 82.0 -94.2-108.7-179.7 -120.6 79.8 13.5 96 409 A A H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.978 124.8 47.2 -58.4 -55.8 -117.6 80.0 15.8 97 410 A E H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.663 107.3 60.6 -62.7 -18.7 -118.8 83.1 17.7 98 411 A Y H > S+ 0 0 0 -3,-0.4 4,-2.5 -6,-0.3 -1,-0.2 0.938 108.4 40.1 -74.3 -50.3 -122.2 81.5 18.1 99 412 A Y H X S+ 0 0 5 -4,-1.8 4,-2.5 -3,-0.3 -2,-0.2 0.868 115.2 55.9 -68.2 -32.9 -120.9 78.5 20.0 100 413 A Q H >X S+ 0 0 96 -4,-2.4 4,-3.0 -5,-0.2 3,-0.6 0.995 108.4 45.1 -55.2 -67.9 -118.6 80.9 21.8 101 414 A A H 3X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.3 -2,-0.2 0.924 116.9 46.3 -41.0 -57.1 -121.4 83.2 23.0 102 415 A Y H 3< S+ 0 0 1 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.825 114.0 47.3 -64.5 -31.6 -123.4 80.2 24.0 103 416 A S H << S+ 0 0 8 -4,-2.5 -1,-0.2 -3,-0.6 -2,-0.2 0.902 119.4 39.5 -69.7 -41.6 -120.5 78.5 25.8 104 417 A E H < S+ 0 0 31 -4,-3.0 -66,-1.0 -5,-0.2 -63,-0.2 0.812 89.6 103.1 -82.7 -33.9 -119.5 81.6 27.6 105 418 A A E < -a 38 0A 0 -4,-2.8 -63,-0.2 -5,-0.3 3,-0.1 -0.169 52.4-157.9 -62.7 143.5 -122.8 83.2 28.6 106 419 A S E S+ 0 0 0 -65,-2.0 19,-2.7 -68,-0.6 2,-0.3 0.535 83.2 41.3 -92.4 -11.9 -124.1 83.0 32.2 107 420 A H E -ad 42 125A 0 -66,-1.2 -64,-2.1 17,-0.2 2,-0.6 -0.970 62.9-161.7-144.5 125.0 -127.6 83.7 31.0 108 421 A W E -ad 43 126A 1 17,-2.5 19,-3.1 -2,-0.3 2,-0.6 -0.927 11.0-171.6 -99.8 118.1 -129.6 82.4 28.0 109 422 A V E +ad 44 127A 1 -66,-2.7 -64,-1.7 -2,-0.6 2,-0.3 -0.953 24.0 142.8-112.9 119.6 -132.7 84.6 27.2 110 423 A S E -ad 45 128A 0 17,-1.9 19,-2.5 -2,-0.6 20,-0.6 -0.976 44.7-150.8-153.3 158.8 -134.9 83.1 24.5 111 424 A N S S+ 0 0 0 -66,-0.7 2,-0.3 -2,-0.3 -65,-0.1 0.059 81.1 40.2-124.4 24.8 -138.6 82.7 23.5 112 425 A A S S- 0 0 16 -67,-0.2 18,-0.1 18,-0.1 17,-0.1 -0.956 104.1 -63.1-161.2 165.3 -138.5 79.4 21.6 113 426 A R - 0 0 83 -2,-0.3 -2,-0.1 15,-0.0 3,-0.1 -0.384 49.3-148.2 -57.5 127.1 -136.8 76.1 21.9 114 427 A T - 0 0 2 1,-0.1 -1,-0.0 -4,-0.1 -4,-0.0 -0.772 35.8 -84.1 -92.8 150.3 -133.0 76.6 21.6 115 428 A P - 0 0 20 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.011 26.3-133.8 -55.7 159.3 -131.2 73.6 19.9 116 429 A L S S+ 0 0 63 1,-0.2 4,-0.2 -3,-0.1 -2,-0.0 0.760 98.4 69.5 -87.0 -27.9 -130.1 70.5 21.9 117 430 A Y S S+ 0 0 75 2,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.679 83.6 91.7 -66.3 -13.0 -126.5 70.3 20.5 118 431 A L S S- 0 0 0 -3,-0.3 2,-0.7 1,-0.0 -4,-0.0 -0.681 84.1-127.0 -78.7 134.1 -125.9 73.5 22.5 119 432 A N - 0 0 51 -2,-0.4 2,-1.0 1,-0.0 -2,-0.1 -0.740 18.5-165.8 -93.3 113.9 -124.7 72.6 26.0 120 433 A K - 0 0 41 -2,-0.7 6,-0.1 -4,-0.2 -17,-0.1 -0.746 21.2-156.8 -95.6 90.4 -126.6 74.1 28.9 121 434 A K > - 0 0 21 -2,-1.0 3,-1.4 1,-0.1 -88,-0.0 -0.071 31.2-106.6 -67.1 165.5 -124.2 73.5 31.9 122 435 A E T 3 S+ 0 0 188 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.296 119.7 62.7 -68.4 14.3 -125.3 73.4 35.6 123 436 A N T 3 S+ 0 0 48 2,-0.0 2,-0.4 1,-0.0 -1,-0.3 0.566 88.8 69.6-125.3 -24.5 -123.6 76.7 35.6 124 437 A Q S < S- 0 0 2 -3,-1.4 2,-0.6 -17,-0.0 -17,-0.2 -0.847 71.5-132.9-108.3 139.0 -125.7 78.9 33.2 125 438 A T E -d 107 0A 18 -19,-2.7 -17,-2.5 -2,-0.4 2,-0.7 -0.847 17.6-162.1 -90.4 122.8 -129.2 80.1 33.8 126 439 A Y E -d 108 0A 0 -2,-0.6 42,-1.4 39,-0.3 41,-1.4 -0.916 5.7-161.4-107.9 107.3 -131.5 79.6 30.8 127 440 A I E -de 109 168A 0 -19,-3.1 -17,-1.9 -2,-0.7 2,-0.6 -0.802 1.1-160.5 -94.4 121.0 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-4,-0.5 -2,-0.1 0.680 86.7 48.5 -64.6 -14.7 -52.2 88.7 -5.3 1596 689 D E H > S+ 0 0 160 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.893 112.3 44.6 -86.5 -48.2 -51.4 85.8 -7.6 1597 690 D K H > S+ 0 0 99 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.754 113.1 55.4 -64.6 -26.8 -52.8 83.0 -5.4 1598 691 D I H X S+ 0 0 4 -4,-2.6 4,-2.8 -7,-0.2 -1,-0.2 0.933 109.0 44.0 -71.1 -48.3 -55.8 85.3 -4.8 1599 692 D D H X S+ 0 0 52 -4,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.853 109.7 56.5 -65.1 -37.0 -56.6 85.8 -8.5 1600 693 D A H < S+ 0 0 66 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.889 112.2 44.1 -61.1 -39.4 -56.1 82.1 -9.1 1601 694 D F H >X>S+ 0 0 6 -4,-1.2 4,-2.6 2,-0.2 3,-1.2 0.918 112.3 49.7 -69.7 -52.2 -58.8 81.5 -6.5 1602 695 D Y H 3X5S+ 0 0 59 -4,-2.8 4,-2.0 1,-0.3 5,-0.4 0.917 109.8 53.5 -52.4 -45.6 -61.2 84.2 -7.7 1603 696 D D H 3<5S+ 0 0 105 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.597 114.5 40.8 -71.9 -12.0 -60.9 82.8 -11.2 1604 697 D R H <45S+ 0 0 114 -3,-1.2 -194,-0.4 -4,-0.3 -2,-0.2 0.833 132.1 14.8 -97.2 -44.3 -61.8 79.3 -10.1 1605 698 D F H <5S+ 0 0 7 -4,-2.6 -3,-0.2 -197,-0.1 3,-0.2 0.664 130.6 38.0-109.5 -21.9 -64.6 79.8 -7.5 1606 699 D C S < + 0 0 134 1,-0.2 4,-2.7 2,-0.1 5,-0.2 0.621 61.2 91.6 -77.1 -14.7 -77.9 89.0 -11.2 1613 706 D A H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.918 81.5 49.4 -47.6 -64.8 -78.4 85.7 -9.5 1614 707 D S H > S+ 0 0 2 1,-0.2 4,-2.2 -183,-0.2 -1,-0.2 0.895 114.0 49.9 -37.3 -51.8 -81.0 86.8 -7.0 1615 708 D Q H > S+ 0 0 75 -4,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.952 105.7 55.5 -52.9 -55.3 -82.8 88.3 -10.0 1616 709 D Y H X S+ 0 0 107 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.802 109.9 44.9 -56.2 -37.0 -82.5 85.1 -12.1 1617 710 D I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.974 110.8 53.6 -68.2 -55.5 -84.3 83.0 -9.4 1618 711 D G H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.879 113.9 43.8 -42.4 -48.4 -87.0 85.6 -8.9 1619 712 D D H X S+ 0 0 56 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.977 107.9 56.5 -61.8 -59.8 -87.7 85.6 -12.6 1620 713 D L H X S+ 0 0 21 -4,-2.3 4,-3.8 1,-0.2 5,-0.2 0.901 111.0 45.9 -36.8 -58.4 -87.6 81.8 -12.9 1621 714 D I H X S+ 0 0 0 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.944 111.4 50.0 -53.1 -57.4 -90.3 81.6 -10.3 1622 715 D H H >< S+ 0 0 38 -4,-2.2 3,-1.0 -5,-0.2 -1,-0.2 0.921 115.8 43.7 -47.7 -53.2 -92.5 84.3 -11.8 1623 716 D K H >X S+ 0 0 115 -4,-3.1 3,-2.8 1,-0.2 4,-1.4 0.986 110.9 54.5 -50.8 -61.5 -92.2 82.5 -15.2 1624 717 D D H 3X S+ 0 0 25 -4,-3.8 4,-0.6 -5,-0.3 -1,-0.2 0.554 108.9 52.3 -53.2 -7.7 -92.8 79.1 -13.5 1625 718 D I H << S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.089 100.3 57.3-124.5 22.0 -96.0 80.7 -12.1 1626 719 D K H X4 S+ 0 0 119 -3,-2.8 3,-1.5 -5,-0.1 -2,-0.2 0.645 107.5 48.2-102.0 -50.0 -97.5 82.0 -15.3 1627 720 D E H >< S+ 0 0 107 -4,-1.4 2,-1.7 1,-0.3 3,-1.3 0.965 112.4 49.6 -43.6 -61.3 -97.5 78.5 -16.9 1628 721 D Q T 3< S+ 0 0 68 -4,-0.6 -1,-0.3 1,-0.3 -4,-0.1 -0.119 110.2 54.7 -75.7 40.7 -99.0 77.2 -13.7 1629 722 D L T < S+ 0 0 81 -2,-1.7 -1,-0.3 -3,-1.5 -2,-0.2 0.055 107.5 42.8-157.5 25.8 -101.6 80.0 -13.9 1630 723 D E < 0 0 159 -3,-1.3 -3,-0.1 0, 0.0 -2,-0.1 0.036 360.0 360.0-140.7-118.3 -103.1 79.5 -17.4 1631 724 D H 0 0 215 -4,-0.1 -3,-0.1 -2,-0.0 -4,-0.1 0.625 360.0 360.0 -27.9 360.0 -104.2 76.5 -19.6