==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 16-SEP-11 3TUB . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE SYK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HAN . 253 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13094.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 16.2 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 2 0 1 0 1 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 2 1 0 0 1 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 1 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 1 362 A E 0 0 189 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.0 38.8 4.7 -1.3 2 363 A V + 0 0 37 74,-0.1 75,-2.1 2,-0.1 2,-0.6 0.828 360.0 87.5 -64.9 -26.5 36.9 2.3 -3.4 3 364 A Y B S-a 77 0A 107 73,-0.2 2,-0.2 75,-0.1 75,-0.2 -0.625 73.3-151.9 -80.0 115.3 38.6 -0.6 -1.5 4 365 A L - 0 0 23 73,-2.8 2,-0.5 -2,-0.6 75,-0.3 -0.575 15.9-112.6 -91.3 151.2 36.5 -1.4 1.5 5 366 A D > - 0 0 78 -2,-0.2 3,-1.0 1,-0.1 4,-0.2 -0.707 18.3-149.8 -82.9 119.1 37.5 -2.8 4.8 6 367 A R G > S+ 0 0 75 -2,-0.5 3,-1.4 1,-0.2 -1,-0.1 0.771 95.2 62.6 -60.4 -33.9 36.1 -6.3 5.2 7 368 A K G 3 S+ 0 0 185 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.798 100.7 56.0 -63.0 -26.8 35.9 -6.0 9.1 8 369 A L G < S+ 0 0 51 -3,-1.0 22,-3.9 22,-0.1 2,-0.4 0.416 97.0 79.2 -81.6 -4.8 33.4 -3.1 8.4 9 370 A L E < -B 29 0A 4 -3,-1.4 2,-0.4 20,-0.2 20,-0.2 -0.929 56.3-172.2-114.3 130.1 31.0 -5.3 6.3 10 371 A T E -B 28 0A 79 18,-2.4 18,-1.8 -2,-0.4 2,-0.3 -0.981 10.8-156.6-123.9 127.8 28.5 -7.7 7.7 11 372 A L E -B 27 0A 39 -2,-0.4 16,-0.2 16,-0.2 2,-0.2 -0.789 13.9-125.6-104.5 151.2 26.5 -10.1 5.4 12 373 A E E - 0 0 87 14,-2.7 -1,-0.0 -2,-0.3 16,-0.0 -0.539 20.7-128.6 -85.5 152.8 23.2 -12.0 5.8 13 374 A D E S+ 0 0 152 -2,-0.2 2,-0.3 12,-0.1 -1,-0.1 0.763 86.1 81.2 -73.4 -26.7 23.2 -15.8 5.3 14 375 A K E S- 0 0 168 12,-0.1 12,-0.6 1,-0.0 2,-0.3 -0.588 76.3-132.3 -85.6 144.7 20.3 -15.6 2.8 15 376 A E E -B 25 0A 102 -2,-0.3 10,-0.2 10,-0.1 3,-0.1 -0.714 9.1-161.7 -95.7 143.2 20.8 -14.8 -0.8 16 377 A L E S- 0 0 108 8,-3.4 2,-0.3 1,-0.3 9,-0.2 0.811 78.6 -7.1 -85.7 -37.4 18.7 -12.3 -2.6 17 378 A G E -B 24 0A 28 7,-1.5 7,-2.2 2,-0.0 -1,-0.3 -0.967 64.8-160.0-153.3 165.4 19.7 -13.6 -6.0 18 379 A S E +B 23 0A 85 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.988 11.1 165.5-153.6 159.2 22.0 -16.0 -7.7 19 380 A G - 0 0 39 3,-1.4 -2,-0.0 -2,-0.3 3,-0.0 -0.872 53.2 -84.3-155.9-174.4 23.7 -16.9 -11.0 20 381 A N S S+ 0 0 131 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.858 126.1 31.0 -72.3 -35.5 26.5 -18.9 -12.4 21 382 A F S S+ 0 0 119 1,-0.2 23,-2.0 24,-0.1 2,-0.3 0.390 124.6 11.3-109.2 8.2 29.1 -16.3 -11.7 22 383 A G E - C 0 43A 10 21,-0.3 -3,-1.4 2,-0.0 2,-0.4 -0.974 49.6-139.6-175.2 161.0 27.8 -14.6 -8.6 23 384 A T E -BC 18 42A 23 19,-2.6 19,-4.2 -2,-0.3 2,-0.5 -0.965 17.3-145.5-127.1 144.2 25.5 -14.3 -5.6 24 385 A V E +BC 17 41A 31 -7,-2.2 -8,-3.4 -2,-0.4 -7,-1.5 -0.953 23.9 172.9-113.4 122.3 23.8 -11.1 -4.3 25 386 A K E -BC 15 40A 50 15,-2.3 15,-2.7 -2,-0.5 2,-0.3 -0.856 33.6-111.3-121.7 162.7 23.3 -10.8 -0.5 26 387 A K E + C 0 39A 47 -12,-0.6 -14,-2.7 -2,-0.3 2,-0.3 -0.675 46.7 160.8 -86.9 146.5 22.1 -8.1 1.8 27 388 A G E -BC 11 38A 0 11,-2.4 11,-2.4 -2,-0.3 2,-0.4 -0.872 34.5-121.8-154.2 179.8 24.8 -6.6 4.1 28 389 A Y E -BC 10 37A 76 -18,-1.8 -18,-2.4 -2,-0.3 2,-0.6 -0.997 15.5-152.7-134.8 129.6 25.6 -3.6 6.2 29 390 A Y E -BC 9 36A 27 7,-3.2 7,-3.0 -2,-0.4 2,-0.4 -0.953 20.8-128.6-109.5 125.6 28.6 -1.5 5.8 30 391 A Q E + C 0 35A 106 -22,-3.9 5,-0.2 -2,-0.6 2,-0.2 -0.563 33.9 174.0 -76.3 127.3 29.8 0.3 8.9 31 392 A M - 0 0 84 3,-1.6 -1,-0.0 -2,-0.4 0, 0.0 -0.457 47.2 -65.4-117.0-170.0 30.4 4.0 8.6 32 393 A K S S- 0 0 199 1,-0.2 3,-0.0 -2,-0.2 -2,-0.0 0.926 115.5 -22.7 -43.7 -83.6 31.3 6.9 10.9 33 394 A K S S+ 0 0 201 -3,-0.0 2,-0.2 2,-0.0 -1,-0.2 0.614 131.9 54.7-107.4 -17.7 28.2 7.0 13.2 34 395 A V S S- 0 0 90 -4,-0.0 -3,-1.6 2,-0.0 2,-0.4 -0.655 75.0-127.1-109.3 171.0 25.6 5.4 11.0 35 396 A V E -C 30 0A 85 -2,-0.2 2,-0.6 -5,-0.2 -5,-0.2 -0.950 18.9-141.1-117.5 137.6 25.4 2.0 9.3 36 397 A K E -C 29 0A 77 -7,-3.0 -7,-3.2 -2,-0.4 2,-0.3 -0.877 9.1-135.2-106.6 127.4 24.6 1.7 5.6 37 398 A T E +C 28 0A 40 -2,-0.6 52,-0.9 -9,-0.2 2,-0.3 -0.548 35.8 178.7 -72.1 129.4 22.5 -1.1 4.1 38 399 A V E -CD 27 88A 0 -11,-2.4 -11,-2.4 -2,-0.3 2,-0.4 -0.868 32.5-131.5-132.7 161.4 24.1 -2.5 1.0 39 400 A A E -CD 26 87A 10 48,-2.3 48,-3.1 -2,-0.3 2,-0.5 -0.918 29.3-158.4-107.0 134.8 23.6 -5.2 -1.7 40 401 A V E -CD 25 86A 0 -15,-2.7 -15,-2.3 -2,-0.4 2,-0.7 -0.981 11.7-152.2-124.5 125.9 26.8 -7.2 -2.3 41 402 A K E -CD 24 85A 43 44,-2.7 44,-2.4 -2,-0.5 2,-0.5 -0.842 16.7-160.7 -95.1 112.2 27.6 -9.2 -5.4 42 403 A I E -CD 23 84A 18 -19,-4.2 -19,-2.6 -2,-0.7 42,-0.2 -0.880 17.3-126.7 -97.4 126.7 29.9 -12.1 -4.3 43 404 A L E -C 22 0A 14 40,-2.4 2,-0.6 -2,-0.5 -21,-0.3 -0.473 14.9-155.0 -70.9 141.9 31.9 -13.6 -7.2 44 405 A K + 0 0 46 -23,-2.0 2,-0.3 -2,-0.2 3,-0.1 -0.985 18.3 171.9-116.6 117.2 31.6 -17.4 -7.7 45 406 A N > + 0 0 47 -2,-0.6 3,-1.2 1,-0.1 -24,-0.1 -0.628 11.3 156.5-123.1 70.5 34.7 -18.6 -9.4 46 407 A E T 3 S+ 0 0 167 -2,-0.3 -1,-0.1 1,-0.2 -25,-0.0 0.739 77.2 49.3 -72.3 -19.1 34.4 -22.4 -9.3 47 408 A A T 3 S- 0 0 89 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.351 107.8-122.5 -98.4 10.8 36.7 -22.9 -12.3 48 409 A N < + 0 0 132 -3,-1.2 -2,-0.1 1,-0.2 3,-0.1 0.960 46.7 171.9 49.9 57.3 39.5 -20.6 -11.0 49 410 A D >> - 0 0 76 1,-0.1 3,-2.5 2,-0.0 4,-0.9 -0.866 28.2-158.8-103.2 103.9 39.3 -18.3 -14.1 50 411 A P H 3> S+ 0 0 87 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.783 92.3 66.2 -54.8 -22.4 41.4 -15.2 -13.6 51 412 A A H 3> S+ 0 0 41 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.817 93.3 60.4 -67.5 -27.7 39.3 -13.6 -16.3 52 413 A L H <> S+ 0 0 11 -3,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.951 103.3 48.1 -65.7 -47.4 36.3 -13.7 -14.0 53 414 A K H X S+ 0 0 57 -4,-0.9 4,-2.1 1,-0.2 3,-0.2 0.931 110.1 53.7 -57.3 -44.5 38.0 -11.6 -11.4 54 415 A D H X S+ 0 0 87 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.867 106.9 52.6 -60.0 -32.4 38.9 -9.1 -14.2 55 416 A E H X S+ 0 0 117 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.864 106.9 50.6 -69.9 -39.8 35.3 -8.9 -15.2 56 417 A L H X S+ 0 0 4 -4,-1.8 4,-1.7 -3,-0.2 -2,-0.2 0.939 114.6 45.0 -62.3 -43.8 34.1 -8.1 -11.7 57 418 A L H X S+ 0 0 46 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.841 111.4 52.3 -69.8 -34.1 36.7 -5.3 -11.6 58 419 A A H X S+ 0 0 56 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.892 109.8 49.9 -67.4 -38.6 35.8 -4.1 -15.1 59 420 A E H X S+ 0 0 37 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.842 109.2 50.7 -68.6 -37.7 32.1 -4.0 -14.0 60 421 A A H X S+ 0 0 6 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.851 108.2 53.5 -68.4 -38.1 33.0 -1.9 -10.8 61 422 A N H X S+ 0 0 96 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.875 111.0 46.3 -63.8 -39.8 35.0 0.5 -13.1 62 423 A V H < S+ 0 0 41 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.967 109.7 52.2 -67.4 -53.2 31.9 1.0 -15.3 63 424 A M H < S+ 0 0 22 -4,-2.5 3,-0.5 1,-0.2 11,-0.2 0.878 115.4 44.5 -47.7 -41.7 29.5 1.5 -12.3 64 425 A Q H >< S+ 0 0 77 -4,-1.7 2,-1.0 1,-0.3 3,-0.7 0.872 113.9 47.1 -72.0 -41.0 32.0 4.1 -11.1 65 426 A Q T 3< S+ 0 0 139 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.1 -0.600 114.6 48.6-101.6 63.0 32.5 5.8 -14.5 66 427 A L T 3 S+ 0 0 19 -2,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.191 78.1 156.8 179.6 0.1 28.7 5.9 -15.1 67 428 A D < + 0 0 64 -3,-0.7 -3,-0.1 -5,-0.1 6,-0.1 -0.154 7.1 137.3 -50.4 124.7 27.4 7.4 -11.8 68 429 A N > - 0 0 24 3,-0.1 3,-1.5 -2,-0.0 52,-0.1 -0.966 64.4-100.4-163.3 155.2 23.9 9.2 -11.7 69 430 A P T 3 S+ 0 0 50 0, 0.0 4,-0.1 0, 0.0 51,-0.1 0.721 118.2 54.7 -58.5 -19.4 20.9 9.2 -9.2 70 431 A Y T 3 S+ 0 0 52 78,-0.1 79,-3.0 49,-0.1 2,-0.3 0.136 96.8 72.4-107.6 21.7 19.0 6.8 -11.5 71 432 A I B < S-f 149 0B 9 -3,-1.5 2,-0.5 77,-0.3 79,-0.2 -0.897 94.8 -98.4-128.6 148.7 21.5 4.0 -11.8 72 433 A V - 0 0 17 77,-2.1 2,-0.3 -2,-0.3 -2,-0.1 -0.656 50.6-140.8 -68.6 120.3 22.5 1.5 -9.0 73 434 A R - 0 0 70 -2,-0.5 15,-2.1 -4,-0.1 2,-0.2 -0.669 3.4-119.3 -93.9 149.3 25.7 3.0 -7.6 74 435 A M E - E 0 87A 23 -2,-0.3 13,-0.3 13,-0.2 3,-0.1 -0.530 18.2-174.3 -83.1 135.9 28.9 1.3 -6.4 75 436 A I E - 0 0 51 11,-3.4 2,-0.3 1,-0.4 12,-0.2 0.821 60.8 -76.2 -92.0 -44.4 30.0 1.7 -2.8 76 437 A G E - E 0 86A 0 10,-1.6 10,-2.8 -72,-0.0 -1,-0.4 -0.972 44.4 -80.1 169.4-176.0 33.4 -0.1 -3.3 77 438 A I E -aE 3 85A 4 -75,-2.1 -73,-2.8 -2,-0.3 2,-0.5 -0.882 29.7-155.9-113.4 148.7 35.1 -3.4 -3.8 78 439 A C E - E 0 84A 1 6,-2.8 6,-1.4 -2,-0.4 2,-1.3 -0.942 6.6-160.2-130.7 111.6 36.0 -5.8 -1.1 79 440 A E E + E 0 83A 129 -2,-0.5 4,-0.2 -75,-0.3 -73,-0.2 -0.725 47.8 129.0 -86.4 86.4 38.8 -8.3 -1.6 80 441 A A S S- 0 0 33 2,-2.4 3,-0.0 -2,-1.3 -1,-0.0 0.076 82.9 -38.0-114.2-135.9 37.8 -10.8 1.2 81 442 A E S S+ 0 0 126 -2,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.617 140.2 13.6 -70.2 -9.4 37.2 -14.6 1.3 82 443 A S S S- 0 0 46 -4,-0.2 -2,-2.4 -38,-0.0 2,-0.4 -0.940 98.3 -91.8-153.0 162.9 35.8 -13.7 -2.2 83 444 A W E - E 0 79A 52 -2,-0.3 -40,-2.4 -4,-0.2 2,-0.4 -0.687 51.8-169.1 -78.3 132.9 35.9 -10.8 -4.5 84 445 A M E -DE 42 78A 2 -6,-1.4 -6,-2.8 -2,-0.4 2,-0.6 -0.997 24.0-152.9-132.2 143.0 32.9 -8.6 -3.7 85 446 A L E -DE 41 77A 0 -44,-2.4 -44,-2.7 -2,-0.4 2,-0.5 -0.946 19.7-156.3-110.4 115.6 31.2 -5.6 -5.4 86 447 A V E +DE 40 76A 0 -10,-2.8 -11,-3.4 -2,-0.6 -10,-1.6 -0.843 22.0 164.8 -98.3 126.1 29.4 -3.6 -2.8 87 448 A M E -DE 39 74A 21 -48,-3.1 -48,-2.3 -2,-0.5 -13,-0.2 -0.835 42.7 -75.7-134.7 170.9 26.5 -1.4 -4.1 88 449 A E E -D 38 0A 34 -15,-2.1 2,-0.4 -2,-0.3 -50,-0.2 -0.401 52.0-115.2 -61.6 149.1 23.5 0.6 -2.8 89 450 A M - 0 0 23 -52,-0.9 2,-1.0 -2,-0.1 3,-0.1 -0.680 15.7-157.8 -91.4 130.0 20.6 -1.6 -1.8 90 451 A A > - 0 0 13 -2,-0.4 3,-1.9 1,-0.2 51,-0.3 -0.813 18.0-166.3-106.6 83.8 17.4 -1.2 -3.9 91 452 A E T 3 S+ 0 0 100 -2,-1.0 51,-0.2 51,-0.3 -1,-0.2 0.751 77.0 49.9 -39.1 -53.4 15.1 -2.6 -1.1 92 453 A L T 3 S- 0 0 68 49,-1.9 -1,-0.3 1,-0.2 50,-0.2 0.519 97.8-150.7 -76.6 -5.0 11.9 -3.2 -3.1 93 454 A G E < +G 141 0B 17 -3,-1.9 48,-2.9 48,-0.8 -1,-0.2 -0.223 47.3 9.8 69.8-162.0 13.7 -5.1 -5.8 94 455 A P E > -G 140 0B 34 0, 0.0 4,-2.6 0, 0.0 46,-0.2 -0.282 61.9-132.4 -63.1 142.1 12.8 -5.5 -9.5 95 456 A L H > S+ 0 0 1 44,-2.7 4,-2.3 41,-0.9 5,-0.2 0.815 102.4 50.6 -58.2 -44.9 10.0 -3.3 -11.0 96 457 A N H > S+ 0 0 28 40,-0.6 4,-2.0 43,-0.2 -1,-0.2 0.944 114.2 43.3 -66.5 -44.5 8.1 -6.0 -12.8 97 458 A K H > S+ 0 0 128 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.934 113.9 53.2 -65.4 -42.6 7.9 -8.3 -9.8 98 459 A Y H < S+ 0 0 34 -4,-2.6 4,-0.4 1,-0.2 3,-0.3 0.894 110.7 45.6 -55.2 -49.0 7.0 -5.2 -7.6 99 460 A L H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.857 106.9 58.1 -67.1 -33.8 4.1 -4.2 -9.9 100 461 A Q H 3< S+ 0 0 84 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.842 115.0 39.2 -61.9 -31.7 2.8 -7.8 -10.1 101 462 A Q T 3< S+ 0 0 146 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.406 116.6 50.1 -97.3 -7.1 2.5 -7.7 -6.3 102 463 A N X + 0 0 37 -3,-0.8 3,-1.6 -4,-0.4 -1,-0.2 -0.550 53.7 162.7-136.5 72.2 1.3 -4.2 -5.9 103 464 A R T 3 + 0 0 168 1,-0.3 -1,-0.1 -3,-0.3 -4,-0.1 0.554 69.0 75.5 -68.4 -5.9 -1.7 -3.6 -8.2 104 465 A H T 3 + 0 0 116 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.531 63.9 114.9 -83.4 -12.0 -2.6 -0.5 -6.1 105 466 A V < - 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0 0 87 -2,-0.1 3,-0.7 1,-0.1 2,-0.1 -0.589 36.4-122.9 -75.6 132.1 5.2 -10.4 -19.9 193 572 A P T 3 S+ 0 0 0 0, 0.0 3,-0.2 0, 0.0 4,-0.2 -0.431 89.5 7.3 -73.9 153.8 5.3 -8.7 -23.4 194 573 A Y T > S- 0 0 8 1,-0.2 3,-1.9 -2,-0.1 8,-0.1 0.892 95.7-144.6 45.6 43.6 4.3 -10.7 -26.5 195 574 A R T < - 0 0 173 -3,-0.7 -1,-0.2 1,-0.3 3,-0.1 -0.139 69.8 -3.4 -49.3 123.0 3.1 -13.5 -24.2 196 575 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.284 100.2 128.3 79.5 -10.0 3.7 -17.0 -25.5 197 576 A M < - 0 0 63 -3,-1.9 -1,-0.3 -4,-0.2 2,-0.2 -0.535 59.1-124.1 -79.5 145.6 5.0 -15.8 -28.9 198 577 A K >> - 0 0 138 -2,-0.2 4,-1.6 -3,-0.1 3,-1.3 -0.514 28.7-107.8 -84.0 155.9 8.3 -17.1 -30.1 199 578 A G H 3> S+ 0 0 27 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.721 121.1 55.5 -55.3 -24.0 11.0 -14.5 -30.9 200 579 A S H 3> S+ 0 0 87 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.753 104.2 52.4 -79.7 -29.6 10.4 -15.2 -34.6 201 580 A E H <> S+ 0 0 80 -3,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.840 105.5 55.3 -76.4 -31.1 6.7 -14.4 -34.4 202 581 A V H X S+ 0 0 2 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.945 107.4 50.1 -62.3 -50.3 7.6 -11.1 -32.7 203 582 A T H X S+ 0 0 25 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.911 112.6 45.4 -54.4 -49.8 9.8 -10.1 -35.7 204 583 A A H < S+ 0 0 49 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.780 112.5 51.9 -66.3 -33.3 7.1 -10.9 -38.2 205 584 A M H ><>S+ 0 0 22 -4,-1.7 5,-1.7 2,-0.2 3,-1.3 0.958 111.6 46.5 -68.7 -52.3 4.5 -9.1 -36.2 206 585 A L H ><5S+ 0 0 4 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.864 107.3 55.9 -59.1 -40.4 6.6 -5.9 -36.0 207 586 A E T 3<5S+ 0 0 96 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.693 100.8 60.7 -72.0 -6.1 7.5 -6.0 -39.7 208 587 A K T < 5S- 0 0 147 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.338 122.4-110.4 -92.4 3.3 3.7 -6.0 -40.3 209 588 A G T < 5S+ 0 0 54 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.573 73.4 143.0 78.4 7.8 3.6 -2.7 -38.5 210 589 A E < + 0 0 98 -5,-1.7 2,-0.3 -6,-0.2 -1,-0.3 -0.590 24.8 179.1 -83.9 145.7 1.7 -4.3 -35.6 211 590 A R - 0 0 47 -2,-0.2 16,-0.0 -3,-0.1 -5,-0.0 -0.959 38.0 -80.2-140.0 158.9 2.5 -3.3 -32.0 212 591 A M - 0 0 14 -2,-0.3 -28,-0.0 1,-0.1 -1,-0.0 -0.233 56.0-110.9 -58.3 143.8 1.3 -4.2 -28.4 213 592 A G - 0 0 47 1,-0.1 -1,-0.1 -29,-0.0 0, 0.0 -0.144 40.9 -74.9 -73.3 173.0 -2.0 -2.5 -27.5 214 593 A C - 0 0 41 1,-0.1 -1,-0.1 4,-0.0 3,-0.1 -0.539 54.1-121.9 -67.3 114.6 -2.6 0.1 -25.0 215 594 A P > - 0 0 11 0, 0.0 3,-2.0 0, 0.0 -27,-0.1 -0.278 39.7 -85.5 -56.9 151.4 -2.4 -1.5 -21.5 216 595 A A T 3 S+ 0 0 95 1,-0.3 0, 0.0 -28,-0.1 0, 0.0 -0.255 114.3 10.3 -58.4 131.3 -5.6 -1.1 -19.3 217 596 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 -3,-0.1 -110,-0.1 0.295 92.6 140.2 83.3 -11.3 -5.6 2.2 -17.4 218 597 A C < - 0 0 12 -3,-2.0 -1,-0.3 -31,-0.1 5,-0.1 -0.458 58.5-114.9 -69.6 128.9 -2.6 3.5 -19.3 219 598 A P > - 0 0 20 0, 0.0 4,-1.1 0, 0.0 3,-0.4 -0.338 20.6-127.3 -58.5 144.9 -2.9 7.2 -20.2 220 599 A R H > S+ 0 0 145 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.811 106.6 60.9 -62.7 -38.0 -3.1 7.7 -24.0 221 600 A E H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.877 106.4 47.5 -57.8 -41.1 -0.2 10.2 -24.0 222 601 A M H > S+ 0 0 3 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.780 109.8 51.1 -71.9 -34.5 2.1 7.5 -22.6 223 602 A Y H X S+ 0 0 24 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.883 107.1 54.7 -72.2 -35.6 0.9 4.9 -25.1 224 603 A D H X S+ 0 0 75 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.939 107.4 50.3 -61.2 -40.7 1.6 7.5 -27.8 225 604 A L H X S+ 0 0 3 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.910 107.9 52.9 -64.3 -39.6 5.2 7.7 -26.5 226 605 A M H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.912 107.8 51.8 -59.0 -48.0 5.7 3.9 -26.5 227 606 A N H < S+ 0 0 53 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.841 108.9 49.4 -58.5 -35.0 4.6 3.9 -30.2 228 607 A L H >< S+ 0 0 74 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.837 107.4 54.5 -70.7 -36.4 7.2 6.5 -31.0 229 608 A C H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.823 106.7 55.3 -62.5 -30.3 9.8 4.4 -29.1 230 609 A W T 3< S+ 0 0 1 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.3 0.011 72.4 141.4 -91.0 26.1 8.6 1.6 -31.5 231 610 A T < - 0 0 33 -3,-1.4 6,-0.2 1,-0.2 -54,-0.1 -0.623 46.4-146.7 -69.9 117.1 9.3 3.6 -34.7 232 611 A Y S S+ 0 0 95 -2,-0.5 2,-0.8 -26,-0.1 -69,-0.2 0.892 82.4 69.9 -50.5 -54.5 10.7 0.9 -37.1 233 612 A D S >> S- 0 0 75 1,-0.2 3,-1.9 -3,-0.1 4,-0.8 -0.652 74.5-152.7 -75.7 110.9 13.1 3.2 -39.0 234 613 A V G >4 S+ 0 0 37 -2,-0.8 3,-0.7 1,-0.3 -1,-0.2 0.807 91.8 65.4 -51.5 -36.3 15.9 4.1 -36.4 235 614 A E G 34 S+ 0 0 146 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.813 109.5 37.5 -56.8 -36.1 16.5 7.4 -38.3 236 615 A N G <4 S+ 0 0 115 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.522 93.2 102.4 -97.7 -4.4 13.1 8.6 -37.2 237 616 A R S << S- 0 0 3 -4,-0.8 -8,-0.1 -3,-0.7 -9,-0.1 -0.580 76.4-117.6 -76.0 134.5 13.1 7.0 -33.8 238 617 A P - 0 0 28 0, 0.0 2,-0.1 0, 0.0 -62,-0.1 -0.316 21.4-127.7 -69.4 162.7 13.7 9.7 -31.0 239 618 A G > - 0 0 14 -63,-0.1 4,-2.3 -64,-0.0 5,-0.1 -0.311 35.6 -92.2 -91.0-177.0 16.7 9.5 -28.7 240 619 A F H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.753 123.4 61.5 -72.0 -26.0 16.5 9.7 -24.9 241 620 A A H > S+ 0 0 44 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.974 111.4 41.1 -65.7 -43.6 17.0 13.4 -24.7 242 621 A A H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.953 118.4 46.2 -65.2 -49.0 13.7 13.7 -26.8 243 622 A V H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.938 114.5 46.4 -55.4 -55.0 12.0 10.9 -24.8 244 623 A E H X S+ 0 0 3 -4,-3.1 4,-3.5 -126,-0.2 -1,-0.2 0.898 112.4 51.1 -59.6 -41.5 13.0 12.2 -21.3 245 624 A L H X S+ 0 0 78 -4,-2.1 4,-2.3 -5,-0.4 5,-0.3 0.898 110.3 48.9 -66.7 -37.9 12.0 15.7 -22.3 246 625 A R H X S+ 0 0 107 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.961 114.9 44.6 -67.8 -40.6 8.6 14.6 -23.4 247 626 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.906 111.6 53.9 -63.7 -45.7 8.2 12.6 -20.2 248 627 A R H X S+ 0 0 79 -4,-3.5 4,-2.8 2,-0.2 5,-0.2 0.960 109.8 45.6 -53.4 -58.2 9.4 15.4 -18.0 249 628 A N H X S+ 0 0 83 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.920 114.5 49.5 -52.7 -46.5 7.0 18.0 -19.4 250 629 A Y H X S+ 0 0 40 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.950 113.0 44.9 -61.4 -47.0 4.1 15.5 -19.1 251 630 A Y H < S+ 0 0 80 -4,-3.0 -1,-0.2 3,-0.2 -2,-0.2 0.879 113.3 51.2 -65.1 -36.1 4.9 14.6 -15.5 252 631 A Y H < S+ 0 0 143 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.829 112.6 46.0 -73.6 -26.0 5.4 18.3 -14.6 253 632 A D H < 0 0 138 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.879 360.0 360.0 -77.5 -40.1 2.0 19.2 -16.1 254 633 A V < 0 0 88 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.660 360.0 360.0-116.7 360.0 0.3 16.2 -14.4