==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-AUG-10 3OCT . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE BTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.DAVIES,B.L.STAKER . 244 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 67.2 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 . 34 13.9 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 . 2 0.8 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 . 10 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 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 1 1 0 2 0 0 2 0 0 0 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 . 2 0 1 2 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 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 1 394 A S 0 0 159 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.8 21.8 16.9 6.5 2 395 A W + 0 0 107 64,-0.1 65,-1.7 2,-0.1 2,-0.1 0.491 360.0 124.0 -81.8 -8.4 20.0 14.4 8.8 3 396 A E B -a 67 0A 80 63,-0.2 2,-0.3 65,-0.0 65,-0.2 -0.302 46.9-161.2 -61.5 130.8 23.5 13.1 9.4 4 397 A I - 0 0 14 63,-3.3 65,-0.1 -2,-0.1 -2,-0.1 -0.831 24.6-114.9-108.3 146.6 24.6 13.0 13.1 5 398 A D > - 0 0 70 -2,-0.3 3,-2.4 1,-0.2 63,-0.1 -0.778 19.7-151.7 -80.3 112.8 28.2 12.7 14.3 6 399 A P G > S+ 0 0 59 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.731 91.3 74.7 -56.5 -24.1 28.4 9.3 16.0 7 400 A K G 3 S+ 0 0 177 1,-0.3 -2,-0.0 -3,-0.0 -3,-0.0 0.782 89.8 58.9 -59.0 -26.6 31.1 10.8 18.2 8 401 A D G < S+ 0 0 73 -3,-2.4 20,-2.5 20,-0.1 2,-0.4 0.253 88.7 93.3 -90.8 13.2 28.4 12.7 20.0 9 402 A L E < -B 27 0A 13 -3,-1.9 2,-0.5 18,-0.2 18,-0.2 -0.906 53.3-167.3-104.3 134.9 26.5 9.5 21.0 10 403 A T E -B 26 0A 82 16,-2.4 16,-2.1 -2,-0.4 2,-0.4 -0.978 19.2-137.3-118.4 116.0 27.1 7.7 24.4 11 404 A F E +B 25 0A 89 -2,-0.5 14,-0.3 14,-0.2 3,-0.1 -0.600 28.9 169.0 -74.6 122.8 25.6 4.2 24.6 12 405 A L E - 0 0 89 12,-3.0 2,-0.3 -2,-0.4 13,-0.2 0.812 55.6 -14.3-109.4 -35.3 23.9 3.6 27.9 13 406 A K E -B 24 0A 109 11,-1.8 11,-3.5 0, 0.0 -1,-0.3 -0.891 58.9-111.0-169.1 141.1 21.9 0.4 27.8 14 407 A E E B 23 0A 77 9,-0.3 9,-0.3 -2,-0.3 7,-0.0 -0.514 360.0 360.0 -69.0 137.2 20.5 -2.3 25.4 15 408 A L 0 0 98 7,-3.3 -1,-0.1 -2,-0.2 8,-0.1 0.401 360.0 360.0-105.7 360.0 16.7 -2.1 25.1 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 17 411 A G > 0 0 98 0, 0.0 3,-2.3 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0-153.5 12.6 -7.7 20.3 18 412 A Q T 3 + 0 0 104 1,-0.3 3,-0.1 111,-0.1 112,-0.0 0.603 360.0 55.2 -65.3 -15.7 9.8 -6.3 18.0 19 413 A F T 3 S- 0 0 44 1,-0.3 -1,-0.3 3,-0.1 2,-0.1 0.327 107.5-131.2 -98.6 8.6 11.7 -2.9 17.8 20 414 A G < - 0 0 29 -3,-2.3 2,-1.0 16,-0.1 -1,-0.3 -0.437 59.9 -14.7 83.5-154.6 14.9 -4.5 16.5 21 415 A V E S+ C 0 37A 54 16,-0.7 16,-2.2 -2,-0.1 2,-0.4 -0.759 83.1 161.6 -87.0 100.5 18.4 -3.9 17.9 22 416 A V E - C 0 36A 29 -2,-1.0 -7,-3.3 14,-0.2 2,-0.4 -0.971 19.4-171.5-130.9 134.6 17.9 -0.7 20.0 23 417 A K E -BC 14 35A 72 12,-2.0 12,-2.9 -2,-0.4 2,-0.4 -0.965 25.5-119.8-125.7 148.0 19.9 0.9 22.7 24 418 A Y E +BC 13 34A 40 -11,-3.5 -12,-3.0 -2,-0.4 -11,-1.8 -0.658 47.6 157.8 -77.6 132.2 19.3 3.8 25.1 25 419 A G E -BC 11 33A 0 8,-2.6 8,-2.3 -2,-0.4 2,-0.4 -0.836 39.8-109.4-144.8-178.0 21.8 6.6 24.7 26 420 A K E -BC 10 32A 60 -16,-2.1 -16,-2.4 -2,-0.2 2,-0.5 -0.985 21.5-156.0-120.7 134.6 22.8 10.2 25.1 27 421 A W E >> S-BC 9 31A 30 4,-2.7 4,-2.2 -2,-0.4 3,-1.3 -0.959 78.7 -15.7-114.6 122.8 23.2 12.7 22.3 28 422 A R T 34 S- 0 0 152 -20,-2.5 -1,-0.2 -2,-0.5 -19,-0.1 0.804 115.0 -74.7 54.3 34.8 25.4 15.7 22.8 29 423 A G T 34 S+ 0 0 58 -21,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.246 130.4 63.0 69.9 -11.6 25.3 15.1 26.6 30 424 A Q T <4 S+ 0 0 138 -3,-1.3 2,-0.5 1,-0.1 -2,-0.2 0.820 81.6 70.4-109.0 -46.5 21.7 16.4 26.8 31 425 A Y E < -C 27 0A 113 -4,-2.2 -4,-2.7 1,-0.0 2,-0.3 -0.704 65.5-137.9 -99.5 124.0 19.2 14.4 24.8 32 426 A D E +C 26 0A 65 -2,-0.5 48,-1.0 -6,-0.2 2,-0.3 -0.575 36.8 178.7 -69.1 134.5 18.0 10.9 25.7 33 427 A V E -CD 25 79A 0 -8,-2.3 -8,-2.6 -2,-0.3 2,-0.5 -0.929 33.7-132.8-136.6 159.2 17.8 8.9 22.5 34 428 A A E -CD 24 78A 11 44,-2.4 44,-2.4 -2,-0.3 2,-0.5 -0.960 26.8-156.8-106.7 140.6 17.0 5.5 21.2 35 429 A I E -CD 23 77A 0 -12,-2.9 -12,-2.0 -2,-0.5 2,-0.4 -0.957 5.0-159.3-125.2 114.6 19.7 4.2 18.8 36 430 A K E +CD 22 76A 36 40,-3.5 40,-2.0 -2,-0.5 2,-0.3 -0.769 10.4 179.1-102.6 139.7 18.9 1.6 16.2 37 431 A M E -C 21 0A 32 -16,-2.2 -16,-0.7 -2,-0.4 38,-0.1 -0.873 38.7 -86.6-129.5 163.2 21.3 -0.7 14.4 38 432 A I 0 0 61 36,-0.4 5,-0.1 -2,-0.3 4,-0.0 -0.394 360.0 360.0 -75.7 142.8 20.7 -3.5 11.8 39 433 A K 0 0 98 -2,-0.1 -1,-0.1 3,-0.1 -19,-0.0 -0.895 360.0 360.0 -99.8 360.0 19.9 -7.0 13.0 40 ! 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 41 437 A M 0 0 108 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 139.5 17.7 -7.0 6.5 42 438 A S > - 0 0 50 1,-0.1 4,-2.1 -4,-0.0 5,-0.2 -0.497 360.0-111.3 -86.2 162.3 20.6 -5.7 4.3 43 439 A E H > S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.872 119.6 56.7 -57.1 -40.3 22.5 -2.5 4.9 44 440 A D H > S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 108.8 42.6 -57.7 -49.7 20.8 -1.2 1.7 45 441 A E H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.829 110.9 55.7 -73.9 -28.5 17.3 -1.7 3.0 46 442 A F H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.927 110.1 47.1 -63.4 -45.0 18.1 -0.4 6.5 47 443 A I H X S+ 0 0 39 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.881 110.3 51.4 -61.9 -42.6 19.3 2.8 4.8 48 444 A E H X S+ 0 0 115 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.868 108.2 53.2 -66.9 -33.2 16.2 3.0 2.6 49 445 A E H X S+ 0 0 30 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.918 106.9 51.5 -59.5 -48.0 14.1 2.6 5.8 50 446 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.900 107.6 53.1 -56.2 -43.4 15.9 5.5 7.3 51 447 A K H X S+ 0 0 125 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.850 104.9 53.9 -63.0 -36.1 15.1 7.5 4.2 52 448 A V H >< S+ 0 0 43 -4,-1.8 3,-1.4 1,-0.2 4,-0.2 0.969 109.7 49.5 -59.4 -48.2 11.4 6.7 4.6 53 449 A M H >< S+ 0 0 8 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.877 103.5 59.0 -59.1 -38.6 11.7 8.2 8.1 54 450 A M H 3< S+ 0 0 47 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.737 108.0 47.8 -59.7 -23.4 13.4 11.3 6.8 55 451 A N T << S+ 0 0 123 -3,-1.4 2,-0.4 -4,-0.8 -1,-0.3 0.306 102.6 70.6-104.5 7.8 10.4 12.0 4.7 56 452 A L < + 0 0 14 -3,-1.5 2,-0.3 -4,-0.2 8,-0.2 -0.981 52.6 167.8-128.7 139.6 7.7 11.5 7.4 57 453 A S + 0 0 96 -2,-0.4 2,-0.3 6,-0.1 6,-0.1 -0.926 8.0 143.3-155.3 122.0 6.9 13.7 10.3 58 454 A H > - 0 0 55 -2,-0.3 3,-1.6 3,-0.3 54,-0.1 -0.971 53.9-114.5-156.1 151.2 4.0 13.8 12.8 59 455 A E T 3 S+ 0 0 156 -2,-0.3 4,-0.1 1,-0.3 53,-0.1 0.746 117.4 47.2 -52.6 -27.6 3.5 14.6 16.5 60 456 A K T 3 S+ 0 0 25 2,-0.1 81,-2.3 80,-0.1 2,-0.4 0.275 93.1 86.8-112.2 14.0 2.4 10.9 17.0 61 457 A L B < S-f 141 0B 2 -3,-1.6 -3,-0.3 79,-0.2 81,-0.2 -0.930 98.5 -96.7 -99.1 137.6 5.2 9.2 15.1 62 458 A V - 0 0 11 79,-2.2 2,-0.5 -2,-0.4 81,-0.3 -0.332 54.1-109.6 -53.0 128.2 8.3 8.5 17.2 63 459 A Q - 0 0 102 -4,-0.1 16,-2.2 1,-0.1 2,-0.2 -0.532 22.0-138.4 -83.1 117.5 10.5 11.5 16.3 64 460 A L E - E 0 78A 12 -2,-0.5 14,-0.3 -8,-0.2 3,-0.1 -0.485 19.6-179.4 -63.8 131.3 13.6 10.9 14.1 65 461 A Y E - 0 0 60 12,-3.8 2,-0.3 1,-0.4 13,-0.2 0.713 55.9 -66.0-101.2 -32.9 16.6 12.9 15.3 66 462 A G E - E 0 77A 0 11,-1.7 11,-3.0 -62,-0.1 -1,-0.4 -0.970 43.6-108.8 167.6-173.7 19.1 11.9 12.7 67 463 A V E -aE 3 76A 0 -65,-1.7 -63,-3.3 -2,-0.3 2,-0.5 -0.907 7.5-141.2-139.2 160.2 21.1 9.1 11.2 68 464 A C E + E 0 75A 4 7,-2.5 7,-2.2 -2,-0.3 -63,-0.1 -0.956 44.5 137.1-125.1 109.9 24.8 7.9 10.9 69 465 A T + 0 0 38 -2,-0.5 5,-0.1 5,-0.2 -1,-0.1 0.338 49.4 84.4-133.8 -0.3 25.4 6.5 7.4 70 466 A K S S+ 0 0 97 2,-0.0 2,-0.2 0, 0.0 4,-0.1 0.350 104.0 18.6 -90.5 4.3 28.8 7.9 6.4 71 467 A Q S S- 0 0 56 2,-0.1 -3,-0.0 0, 0.0 0, 0.0 -0.832 96.6 -63.1-146.9-174.8 30.5 5.0 8.3 72 468 A R S S+ 0 0 144 -2,-0.2 2,-0.1 1,-0.1 -3,-0.1 -0.992 103.0 49.7-120.3 141.8 29.7 1.5 9.6 73 469 A P S S- 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.475 85.4-137.9 -81.1 153.8 27.9 0.6 11.7 74 470 A I - 0 0 8 -2,-0.1 -36,-0.4 -5,-0.1 2,-0.4 -0.585 22.7-164.4 -72.9 132.6 24.8 2.5 10.4 75 471 A F E - E 0 68A 17 -7,-2.2 -7,-2.5 -2,-0.3 2,-0.4 -0.957 17.8-160.0-119.2 145.9 22.6 4.1 13.1 76 472 A I E -DE 36 67A 5 -40,-2.0 -40,-3.5 -2,-0.4 2,-0.5 -0.993 19.0-158.5-112.4 131.9 19.1 5.5 13.2 77 473 A I E +DE 35 66A 0 -11,-3.0 -12,-3.8 -2,-0.4 -11,-1.7 -0.926 18.5 160.0-117.4 124.8 18.5 8.0 16.1 78 474 A T E -DE 34 64A 21 -44,-2.4 -44,-2.4 -2,-0.5 -14,-0.2 -0.825 47.7 -73.9-127.1 171.2 15.1 8.9 17.6 79 475 A E E -D 33 0A 20 -16,-2.2 2,-0.5 -2,-0.3 -46,-0.2 -0.319 54.8-111.7 -52.8 144.9 13.6 10.4 20.7 80 476 A Y - 0 0 49 -48,-1.0 2,-0.9 -47,-0.1 -48,-0.1 -0.793 19.7-150.0 -82.4 127.7 13.7 7.9 23.6 81 477 A M > - 0 0 9 -2,-0.5 3,-1.6 1,-0.1 52,-0.3 -0.868 12.3-164.4 -97.6 99.7 10.2 6.8 24.7 82 478 A A T 3 S+ 0 0 44 -2,-0.9 52,-0.2 1,-0.3 -1,-0.1 0.695 79.7 56.6 -63.7 -24.9 10.8 6.1 28.4 83 479 A N T 3 S- 0 0 45 50,-2.0 -1,-0.3 1,-0.2 51,-0.2 0.435 95.4-150.5 -93.2 4.5 7.7 4.1 29.2 84 480 A G < + 0 0 28 -3,-1.6 49,-2.2 49,-0.5 -1,-0.2 -0.182 49.6 6.0 70.4-155.1 8.5 1.4 26.5 85 481 A C B > -G 132 0B 18 47,-0.2 4,-1.7 1,-0.1 47,-0.3 -0.353 65.0-128.7 -69.6 146.2 6.0 -0.7 24.6 86 482 A L H > S+ 0 0 0 45,-2.9 4,-2.6 42,-0.7 5,-0.2 0.858 103.4 58.2 -64.2 -40.5 2.3 0.0 25.0 87 483 A L H > S+ 0 0 27 41,-1.0 4,-1.4 44,-0.3 -1,-0.2 0.933 111.6 40.1 -59.3 -47.0 1.3 -3.6 25.7 88 484 A N H > S+ 0 0 100 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.814 113.3 56.3 -68.2 -31.6 3.6 -3.9 28.8 89 485 A Y H X S+ 0 0 24 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.886 104.1 52.7 -68.0 -41.2 2.7 -0.3 29.8 90 486 A L H < S+ 0 0 0 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.908 113.9 43.8 -59.0 -42.9 -1.0 -1.2 29.9 91 487 A R H >< S+ 0 0 115 -4,-1.4 3,-0.8 -5,-0.2 4,-0.3 0.920 112.7 51.3 -68.8 -42.6 -0.2 -4.1 32.1 92 488 A E H 3< S+ 0 0 112 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.895 122.2 31.2 -61.9 -39.0 2.2 -2.1 34.3 93 489 A M T >X S+ 0 0 45 -4,-2.3 3,-2.3 1,-0.2 4,-1.4 0.281 81.6 119.6-104.5 11.4 -0.4 0.7 34.9 94 490 A R T <4 S+ 0 0 136 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.1 0.782 74.9 51.5 -51.4 -37.1 -3.6 -1.3 34.8 95 491 A H T 34 S+ 0 0 130 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.664 114.3 44.3 -74.2 -14.9 -4.7 -0.5 38.4 96 492 A R T <4 S+ 0 0 161 -3,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.711 79.6 111.4-106.8 -31.7 -4.2 3.3 37.8 97 493 A F < - 0 0 29 -4,-1.4 2,-0.3 -7,-0.2 3,-0.0 -0.143 49.4-152.2 -56.7 146.1 -5.7 4.2 34.4 98 494 A Q >> - 0 0 151 1,-0.1 4,-1.4 0, 0.0 3,-0.8 -0.804 31.0-110.2-108.1 156.8 -8.8 6.4 34.3 99 495 A T H 3> S+ 0 0 83 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.860 116.7 61.7 -63.6 -31.6 -11.1 6.0 31.2 100 496 A Q H 3> S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.914 103.3 51.8 -56.2 -42.3 -10.2 9.4 29.8 101 497 A Q H <> S+ 0 0 81 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.864 105.8 53.2 -59.5 -42.6 -6.6 8.2 29.6 102 498 A L H X S+ 0 0 2 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.948 110.0 49.6 -59.6 -43.8 -7.6 5.1 27.7 103 499 A L H X S+ 0 0 10 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.876 107.3 53.0 -63.1 -39.7 -9.4 7.4 25.2 104 500 A E H X S+ 0 0 80 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.887 106.0 54.3 -64.8 -38.1 -6.4 9.7 24.8 105 501 A M H X S+ 0 0 7 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.904 110.1 46.8 -60.9 -41.3 -4.2 6.6 23.9 106 502 A C H X S+ 0 0 1 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.943 112.3 51.3 -64.9 -43.7 -6.7 5.7 21.2 107 503 A K H X S+ 0 0 30 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.888 107.5 52.7 -60.1 -45.3 -6.7 9.3 20.0 108 504 A D H X S+ 0 0 10 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.931 113.4 41.5 -54.0 -51.9 -2.9 9.4 19.8 109 505 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.894 111.6 57.2 -70.6 -35.0 -2.6 6.3 17.6 110 506 A C H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.855 105.3 50.7 -64.7 -37.3 -5.5 7.4 15.5 111 507 A E H X S+ 0 0 41 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.916 110.0 49.9 -63.6 -42.9 -3.8 10.7 14.7 112 508 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.934 112.9 47.5 -59.9 -46.4 -0.6 8.9 13.6 113 509 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.837 107.0 54.8 -68.4 -36.0 -2.7 6.6 11.4 114 510 A E H X S+ 0 0 51 -4,-2.2 4,-1.7 121,-0.2 -1,-0.2 0.911 111.6 46.6 -59.3 -42.9 -4.7 9.4 9.8 115 511 A Y H X S+ 0 0 40 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.951 113.8 45.9 -63.0 -50.9 -1.4 10.9 8.8 116 512 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 3,-1.0 0.882 111.5 53.0 -62.6 -40.2 0.1 7.7 7.5 117 513 A E H ><5S+ 0 0 42 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.892 106.4 54.5 -55.2 -42.6 -3.2 6.9 5.6 118 514 A S H 3<5S+ 0 0 72 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.615 109.3 47.6 -70.1 -14.9 -2.8 10.4 4.0 119 515 A K T <<5S- 0 0 81 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.180 116.5-112.1-110.1 9.4 0.7 9.5 2.8 120 516 A Q T < 5S+ 0 0 126 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.829 71.1 136.4 58.7 38.3 -0.3 6.1 1.3 121 517 A F < - 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