==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 20-MAR-12 4E93 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE FES/FPS; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.FILIPPAKOPOULOS,E.SALAH,C.V.MIDUTURU,O.FEDOROV,C.COOPER,F. . 361 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 16 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 2 0 1 1 2 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 PARALLEL BRIDGES PER LADDER . 3 0 2 1 3 1 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 1 1 1 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 1 446 A S 0 0 162 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 76.5 -7.1 8.2 -15.6 2 447 A M - 0 0 150 0, 0.0 3,-0.0 0, 0.0 0, 0.0 -0.475 360.0 -73.2-142.3-146.9 -4.9 10.9 -14.1 3 448 A I - 0 0 92 -2,-0.2 5,-0.1 1,-0.1 2,-0.0 -0.815 58.4 -74.8-117.7 166.7 -1.8 12.6 -15.6 4 449 A P > - 0 0 83 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.351 39.7-129.5 -56.6 134.9 1.7 11.3 -16.1 5 450 A E G > S+ 0 0 83 1,-0.3 3,-1.7 2,-0.2 -2,-0.0 0.847 107.0 62.2 -53.1 -38.7 3.6 11.1 -12.7 6 451 A V G 3 S+ 0 0 32 1,-0.3 -1,-0.3 72,-0.1 73,-0.1 0.643 97.5 58.4 -69.0 -13.6 6.5 13.1 -14.2 7 452 A Q G < S+ 0 0 117 -3,-1.9 -1,-0.3 71,-0.1 -2,-0.2 0.531 85.7 101.6 -92.0 -5.3 4.2 16.1 -14.9 8 453 A K S < S- 0 0 42 -3,-1.7 5,-0.1 -4,-0.4 -3,-0.0 -0.504 87.0 -91.5 -78.3 145.2 3.3 16.4 -11.2 9 454 A P >> - 0 0 76 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.181 36.3-112.3 -50.5 146.0 4.9 19.1 -9.1 10 455 A L G >4 S+ 0 0 24 1,-0.3 3,-1.8 2,-0.2 6,-0.2 0.872 115.2 59.8 -44.9 -43.9 8.1 18.1 -7.3 11 456 A H G 34 S+ 0 0 97 1,-0.3 -1,-0.3 6,-0.0 5,-0.0 0.670 102.7 52.1 -72.7 -13.7 6.5 18.3 -3.9 12 457 A E G <4 S+ 0 0 114 -3,-1.9 -1,-0.3 3,-0.0 -2,-0.2 0.539 83.4 113.2 -90.1 -9.7 3.9 15.7 -4.8 13 458 A Q X< - 0 0 2 -3,-1.8 3,-1.5 -4,-0.6 -7,-0.0 -0.383 67.0-139.1 -68.7 138.7 6.6 13.2 -5.9 14 459 A L T 3 S+ 0 0 101 1,-0.3 91,-2.0 90,-0.1 -1,-0.1 0.796 104.0 54.1 -65.8 -25.8 6.8 10.1 -3.7 15 460 A W T 3 S+ 0 0 31 89,-0.2 22,-2.7 21,-0.1 2,-0.6 0.284 84.1 98.9 -92.7 8.2 10.6 10.2 -4.0 16 461 A Y B < +a 37 0A 2 -3,-1.5 22,-0.2 20,-0.2 89,-0.1 -0.892 46.2 175.7 -97.7 117.7 10.7 13.8 -2.8 17 462 A H > - 0 0 7 20,-3.2 3,-1.0 -2,-0.6 2,-0.2 0.308 17.0-164.7-108.3 2.4 11.6 13.7 1.0 18 463 A G T 3 + 0 0 0 19,-0.4 21,-3.0 1,-0.2 164,-0.3 -0.256 65.5 10.3 64.5-113.9 11.9 17.4 1.7 19 464 A A T 3 S+ 0 0 9 162,-2.0 -1,-0.2 -2,-0.2 163,-0.2 0.151 80.8 140.2 -98.1 20.6 13.6 18.4 4.9 20 465 A I < - 0 0 4 -3,-1.0 5,-0.1 161,-0.2 -3,-0.1 -0.471 57.7-111.3 -65.5 133.0 15.0 15.0 6.0 21 466 A P > - 0 0 19 0, 0.0 4,-1.5 0, 0.0 3,-0.5 -0.179 21.5-111.4 -63.0 154.2 18.5 15.5 7.5 22 467 A R H >> S+ 0 0 102 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.921 120.1 56.9 -50.6 -47.8 21.6 14.2 5.6 23 468 A A H >4 S+ 0 0 60 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.880 104.1 50.7 -47.7 -47.1 21.9 11.7 8.5 24 469 A E H >> S+ 0 0 29 -3,-0.5 3,-1.1 1,-0.2 4,-0.7 0.805 96.1 70.5 -69.8 -29.5 18.4 10.2 8.0 25 470 A V H XX S+ 0 0 0 -4,-1.5 4,-1.6 -3,-0.5 3,-1.1 0.880 92.1 59.4 -53.4 -41.0 19.0 9.8 4.2 26 471 A A H << S+ 0 0 59 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.782 101.8 53.3 -59.1 -31.5 21.4 6.9 5.1 27 472 A E H <4 S+ 0 0 60 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.683 110.2 47.9 -75.7 -19.2 18.6 5.0 6.9 28 473 A L H << S+ 0 0 47 -3,-1.1 2,-0.5 -4,-0.7 -2,-0.2 0.779 94.6 75.3 -97.7 -31.2 16.3 5.2 3.8 29 474 A L < + 0 0 17 -4,-1.6 3,-0.1 1,-0.2 20,-0.0 -0.748 49.1 163.3 -85.1 126.9 18.6 4.0 0.9 30 475 A V + 0 0 133 -2,-0.5 -1,-0.2 1,-0.2 2,-0.1 0.815 52.9 39.8-102.6 -72.1 19.3 0.3 0.8 31 476 A H S > S- 0 0 52 1,-0.2 3,-2.1 2,-0.0 19,-0.3 -0.357 96.0 -79.3 -87.5 161.1 20.7 -0.9 -2.6 32 477 A S T 3 S+ 0 0 86 1,-0.3 19,-0.2 -2,-0.1 -1,-0.2 -0.303 118.8 23.1 -51.1 131.3 23.2 0.6 -5.0 33 478 A G T 3 S+ 0 0 2 17,-2.4 67,-2.1 1,-0.3 68,-1.6 0.394 82.5 142.6 87.9 -3.6 21.5 3.3 -7.0 34 479 A D E < +b 101 0A 22 -3,-2.1 16,-2.6 66,-0.2 -1,-0.3 -0.449 28.3 171.6 -60.2 143.1 18.6 4.0 -4.5 35 480 A F E -bC 102 49A 0 66,-1.7 68,-3.2 14,-0.2 2,-0.3 -0.966 24.1-179.4-152.3 166.7 17.9 7.7 -4.5 36 481 A L E - C 0 48A 0 12,-1.7 12,-2.2 -2,-0.3 2,-0.4 -0.941 26.8-121.2-157.9 164.2 15.6 10.3 -3.3 37 482 A V E +aC 16 47A 0 -22,-2.7 -20,-3.2 -2,-0.3 -19,-0.4 -0.920 36.0 164.8-114.9 147.1 15.4 14.0 -3.8 38 483 A R E - C 0 46A 19 8,-2.5 8,-3.0 -2,-0.4 2,-0.3 -0.936 36.7-102.2-151.9 166.3 15.5 16.4 -0.9 39 484 A E E - C 0 45A 54 -21,-3.0 2,-0.3 -2,-0.3 6,-0.2 -0.683 37.8-129.3 -88.9 150.7 16.0 20.0 0.1 40 485 A S 0 0 36 4,-2.3 -21,-0.0 -2,-0.3 -20,-0.0 -0.764 360.0 360.0 -98.7 151.3 19.3 21.1 1.6 41 486 A Q 0 0 124 -2,-0.3 -1,-0.1 2,-0.1 -22,-0.0 0.926 360.0 360.0 -34.3 360.0 19.9 23.1 4.8 42 ! 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 43 489 A Q 0 0 104 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 95.6 18.5 26.0 0.3 44 490 A E - 0 0 40 -6,-0.0 -4,-2.3 17,-0.0 2,-0.3 -0.589 360.0 -80.6-118.5-173.9 18.7 24.4 -3.1 45 491 A Y E -CD 39 60A 51 15,-0.5 15,-2.5 -6,-0.2 2,-0.4 -0.759 37.8-159.9-100.4 148.0 17.7 20.8 -4.1 46 492 A V E -CD 38 59A 12 -8,-3.0 -8,-2.5 -2,-0.3 2,-0.7 -0.970 12.6-149.0-129.4 133.0 19.9 17.7 -3.7 47 493 A L E -CD 37 58A 0 11,-2.3 11,-1.7 -2,-0.4 2,-0.5 -0.929 21.2-162.3-100.4 108.1 19.7 14.3 -5.4 48 494 A S E +CD 36 57A 0 -12,-2.2 -12,-1.7 -2,-0.7 2,-0.4 -0.831 13.3 175.5-100.0 126.3 21.0 11.8 -2.8 49 495 A V E -CD 35 56A 0 7,-2.5 7,-2.7 -2,-0.5 2,-0.4 -0.996 31.3-120.4-137.7 136.8 22.0 8.4 -4.2 50 496 A L E + D 0 55A 9 -16,-2.6 -17,-2.4 -2,-0.4 2,-0.3 -0.640 36.9 172.2 -79.0 129.7 23.6 5.4 -2.6 51 497 A W E > - D 0 54A 97 3,-3.2 3,-1.0 -2,-0.4 -2,-0.0 -0.920 66.7 -13.4-146.7 120.2 27.0 4.5 -4.1 52 498 A D T 3 S- 0 0 157 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.847 130.3 -53.1 53.7 39.5 29.4 1.9 -2.8 53 499 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.2 -23,-0.1 -3,-0.1 0.482 122.8 97.6 81.4 4.7 27.4 1.8 0.5 54 500 A L E < S-D 51 0A 43 -3,-1.0 -3,-3.2 -5,-0.1 2,-0.3 -0.948 77.3-112.8-126.7 140.6 27.6 5.6 1.0 55 501 A P E -D 50 0A 41 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.571 29.2-161.6 -68.5 135.5 25.2 8.4 0.2 56 502 A R E -D 49 0A 54 -7,-2.7 -7,-2.5 -2,-0.3 2,-0.5 -0.963 8.0-148.4-116.4 138.2 26.6 10.7 -2.5 57 503 A H E -D 48 0A 65 -2,-0.4 2,-0.5 -9,-0.2 -9,-0.2 -0.944 11.9-170.9-121.7 125.0 25.0 14.1 -2.7 58 504 A F E -D 47 0A 21 -11,-1.7 -11,-2.3 -2,-0.5 2,-0.4 -0.959 20.8-132.4-119.7 122.5 24.6 16.1 -5.9 59 505 A I E -D 46 0A 102 -2,-0.5 2,-0.7 -13,-0.2 -13,-0.2 -0.593 16.4-141.9 -70.6 122.6 23.5 19.7 -6.2 60 506 A I E -D 45 0A 2 -15,-2.5 -15,-0.5 -2,-0.4 9,-0.2 -0.826 23.8-147.0 -80.2 113.7 20.8 20.1 -8.8 61 507 A Q E -E 68 0B 48 7,-2.4 7,-1.8 -2,-0.7 2,-0.4 -0.551 9.6-157.5 -80.1 151.8 21.7 23.5 -10.4 62 508 A S E +E 67 0B 77 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.974 19.3 161.6-131.6 121.5 19.1 25.9 -11.8 63 509 A L E > S-E 66 0B 99 3,-1.8 3,-1.5 -2,-0.4 -2,-0.0 -0.999 71.5 -6.2-137.8 138.0 19.8 28.6 -14.4 64 510 A D T 3 S- 0 0 86 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.900 131.4 -54.0 41.0 52.9 17.3 30.5 -16.6 65 511 A N T 3 S+ 0 0 147 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.693 112.2 120.4 60.5 26.0 14.5 28.2 -15.3 66 512 A L E < -E 63 0B 76 -3,-1.5 -3,-1.8 2,-0.0 2,-0.4 -0.970 51.3-146.8-124.6 136.0 16.4 24.9 -16.2 67 513 A Y E +EF 62 74B 62 7,-3.5 7,-2.7 -2,-0.4 2,-0.3 -0.849 31.1 149.3-101.8 134.5 17.5 22.1 -13.9 68 514 A R E -E 61 0B 52 -7,-1.8 -7,-2.4 -2,-0.4 5,-0.1 -0.984 40.3-154.8-154.3 156.6 20.6 20.1 -14.5 69 515 A L S S- 0 0 25 -2,-0.3 -1,-0.1 3,-0.3 23,-0.1 0.795 89.5 -39.2 -88.1 -79.5 23.5 18.1 -13.0 70 516 A E S S+ 0 0 126 21,-0.4 2,-0.1 2,-0.1 3,-0.1 0.404 123.8 28.6-127.9 -4.0 26.3 18.4 -15.6 71 517 A G S S+ 0 0 38 1,-0.3 20,-0.0 20,-0.2 21,-0.0 -0.229 101.5 13.6-130.1-143.9 24.4 18.1 -18.9 72 518 A E - 0 0 129 -2,-0.1 -1,-0.3 1,-0.1 -3,-0.3 -0.090 69.3-134.8 -41.0 123.4 21.1 18.7 -20.7 73 519 A G - 0 0 26 -5,-0.1 -5,-0.2 -3,-0.1 -1,-0.1 -0.555 16.8-154.0 -87.5 153.9 18.8 20.9 -18.5 74 520 A F B -F 67 0B 26 -7,-2.7 -7,-3.5 -2,-0.2 6,-0.1 -0.938 25.5-122.1-134.4 148.0 15.2 20.3 -17.9 75 521 A P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.603 96.9 22.1 -65.0 -17.9 12.1 22.4 -17.1 76 522 A S S > S- 0 0 31 -9,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.979 75.0-118.8-145.4 161.4 11.5 20.4 -13.9 77 523 A I H > S+ 0 0 5 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.931 114.6 55.1 -67.5 -42.6 13.3 18.2 -11.4 78 524 A P H > S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.858 108.7 48.7 -56.9 -35.0 11.0 15.2 -12.2 79 525 A L H > S+ 0 0 44 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.922 112.8 47.6 -70.0 -40.7 11.9 15.6 -15.9 80 526 A L H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.927 113.5 48.4 -62.4 -46.5 15.6 15.7 -15.0 81 527 A I H X S+ 0 0 5 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.916 110.6 49.8 -58.8 -45.5 15.1 12.7 -12.8 82 528 A D H X S+ 0 0 79 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.782 111.8 49.5 -68.6 -27.1 13.2 10.7 -15.4 83 529 A H H X S+ 0 0 34 -4,-1.7 4,-2.6 2,-0.2 6,-0.3 0.895 111.5 46.9 -76.1 -44.5 15.9 11.4 -18.0 84 530 A L H X>S+ 0 0 2 -4,-2.3 4,-0.9 2,-0.2 5,-0.8 0.907 115.0 48.1 -60.6 -44.2 18.8 10.4 -15.8 85 531 A L H <5S+ 0 0 52 -4,-2.5 3,-0.3 -5,-0.2 -2,-0.2 0.936 116.5 42.7 -61.3 -47.6 16.9 7.2 -14.9 86 532 A S H <5S+ 0 0 90 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.892 117.5 42.4 -68.7 -46.4 16.1 6.4 -18.5 87 533 A T H <5S- 0 0 70 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.588 95.5-137.4 -80.1 -10.2 19.4 7.2 -20.2 88 534 A Q T <5 + 0 0 94 -4,-0.9 -3,-0.1 -3,-0.3 -4,-0.1 0.866 43.1 170.5 50.8 40.2 21.4 5.5 -17.3 89 535 A Q < - 0 0 67 -5,-0.8 10,-0.4 -6,-0.3 2,-0.2 -0.527 42.6-109.4 -77.5 138.7 23.7 8.4 -17.6 90 536 A P - 0 0 64 0, 0.0 8,-0.2 0, 0.0 3,-0.1 -0.593 28.3-129.5 -66.2 138.1 26.4 8.9 -14.9 91 537 A L S S- 0 0 3 6,-3.2 -21,-0.4 -2,-0.2 2,-0.3 0.892 87.5 -1.3 -58.4 -48.0 25.2 11.9 -12.9 92 538 A T S >> S- 0 0 24 5,-0.2 4,-2.3 1,-0.1 3,-0.6 -0.974 71.2-124.4-139.5 152.9 28.6 13.6 -13.2 93 539 A K T 34 S+ 0 0 83 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.956 108.3 54.3 -60.1 -54.0 31.8 12.3 -14.9 94 540 A K T 34 S+ 0 0 106 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.686 117.2 37.7 -55.8 -24.6 34.1 12.6 -11.8 95 541 A S T <4 S- 0 0 45 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.763 84.1-152.9 -99.4 -34.5 31.7 10.5 -9.7 96 542 A G < + 0 0 30 -4,-2.3 2,-0.3 1,-0.2 -3,-0.1 0.635 36.9 158.8 71.6 15.8 30.5 7.8 -12.2 97 543 A V - 0 0 1 -5,-0.4 -6,-3.2 -46,-0.0 2,-0.4 -0.566 22.9-166.1 -85.2 132.7 27.2 7.4 -10.3 98 544 A V - 0 0 38 -2,-0.3 -13,-0.1 -8,-0.2 -14,-0.0 -0.965 17.8-127.3-121.8 125.6 24.0 6.0 -12.0 99 545 A L + 0 0 0 -10,-0.4 -65,-0.2 -2,-0.4 3,-0.1 -0.283 32.0 163.7 -65.9 152.4 20.4 6.1 -10.7 100 546 A H + 0 0 133 -67,-2.1 2,-0.3 1,-0.3 -66,-0.2 0.583 60.3 8.8-142.1 -41.8 18.5 2.8 -10.4 101 547 A R E -b 34 0A 37 -68,-1.6 -66,-1.7 -70,-0.1 2,-0.4 -0.940 61.0-130.1-151.7 135.7 15.4 3.1 -8.2 102 548 A A E -b 35 0A 37 -2,-0.3 -66,-0.2 -68,-0.2 -68,-0.1 -0.674 24.4-138.4 -75.8 129.2 13.6 6.0 -6.5 103 549 A V - 0 0 25 -68,-3.2 3,-0.1 -2,-0.4 -74,-0.0 -0.791 21.1-142.4 -93.3 117.3 12.8 5.4 -2.7 104 550 A P - 0 0 72 0, 0.0 -89,-0.2 0, 0.0 -90,-0.1 -0.331 22.8 -94.4 -77.7 158.4 9.4 6.5 -1.8 105 551 A K - 0 0 42 -91,-2.0 2,-0.1 -89,-0.1 -88,-0.0 -0.344 49.0-111.5 -58.0 146.8 8.3 8.2 1.5 106 552 A D > - 0 0 67 -3,-0.1 3,-1.2 1,-0.1 -1,-0.1 -0.268 33.6 -92.2 -79.7 174.5 7.0 5.7 4.0 107 553 A K T 3 S+ 0 0 189 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 0.629 119.0 60.6 -66.8 -13.0 3.3 5.5 5.1 108 554 A W T 3 S+ 0 0 59 70,-0.1 71,-1.8 2,-0.0 -1,-0.2 0.675 73.9 110.6 -88.6 -18.7 3.8 7.8 8.1 109 555 A V B < -g 179 0C 33 -3,-1.2 2,-0.3 69,-0.2 71,-0.2 -0.360 44.3-176.6 -66.3 132.0 4.9 11.0 6.3 110 556 A L - 0 0 39 69,-2.7 72,-0.6 -2,-0.1 71,-0.2 -0.962 25.9-116.7-123.5 149.6 2.5 13.9 6.3 111 557 A N > - 0 0 51 -2,-0.3 3,-1.8 1,-0.1 4,-0.2 -0.545 27.2-118.2 -76.0 147.7 2.6 17.3 4.8 112 558 A H G > S+ 0 0 26 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.865 115.4 60.3 -47.0 -39.4 2.6 20.3 7.0 113 559 A E G 3 S+ 0 0 113 1,-0.3 -1,-0.3 3,-0.1 22,-0.0 0.609 88.5 71.7 -73.8 -9.6 -0.7 21.4 5.5 114 560 A D G < S+ 0 0 59 -3,-1.8 21,-2.5 21,-0.1 22,-0.5 0.523 95.5 67.5 -75.6 -5.2 -2.3 18.2 6.7 115 561 A L E < -H 134 0C 7 -3,-1.8 2,-0.5 19,-0.2 19,-0.2 -0.882 65.9-155.2-118.9 143.7 -2.0 19.7 10.2 116 562 A V E -H 133 0C 35 17,-2.6 17,-1.9 -2,-0.3 2,-0.3 -0.970 24.1-141.3-110.9 108.0 -3.8 22.6 11.8 117 563 A L E +H 132 0C 72 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.527 23.8 177.1 -72.2 133.2 -1.7 23.9 14.7 118 564 A G E - 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0 0 31 -2,-0.4 4,-1.8 1,-0.1 3,-0.4 -0.952 68.1 -84.8-157.9 174.2 18.5 -1.9 31.7 280 739 A S H > S+ 0 0 25 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.855 128.4 61.5 -59.0 -27.8 14.9 -2.7 32.5 281 740 A E H > S+ 0 0 88 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.862 102.0 47.7 -65.4 -36.0 16.2 -3.0 36.1 282 741 A S H > S+ 0 0 3 -3,-0.4 4,-1.7 1,-0.2 -13,-0.3 0.825 108.4 56.8 -74.1 -26.1 17.3 0.7 36.1 283 742 A D H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.852 102.0 55.3 -66.2 -36.8 13.9 1.5 34.7 284 743 A V H X S+ 0 0 3 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.912 104.3 54.4 -62.8 -37.5 12.3 -0.2 37.7 285 744 A W H >X S+ 0 0 2 -4,-1.4 4,-1.5 1,-0.2 3,-0.6 0.959 108.8 47.2 -54.6 -50.3 14.5 2.1 39.9 286 745 A S H 3X S+ 0 0 5 -4,-1.7 4,-2.8 1,-0.3 -1,-0.2 0.844 106.5 59.6 -62.4 -35.3 12.9 5.1 38.0 287 746 A F H 3X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.3 0.876 101.7 53.1 -60.4 -39.0 9.5 3.4 38.6 288 747 A G H <>S+ 0 0 3 -4,-2.7 5,-2.2 1,-0.2 3,-1.2 0.932 107.8 57.0 -59.0 -43.2 6.0 11.4 42.8 294 753 A T H ><5S+ 0 0 1 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.891 112.0 39.4 -54.4 -43.5 2.6 9.8 42.5 295 754 A F H 3<5S+ 0 0 2 -4,-1.9 30,-0.7 1,-0.2 -1,-0.2 0.463 110.1 59.6 -92.3 9.1 1.9 9.9 46.3 296 755 A S T X<5S- 0 0 20 -3,-1.2 3,-1.6 -4,-0.6 -1,-0.2 0.087 111.8-113.7-121.3 12.4 3.6 13.3 46.9 297 756 A L T < 5S- 0 0 85 -3,-0.7 -3,-0.2 1,-0.3 -91,-0.1 0.851 75.7 -50.1 50.1 42.6 1.2 15.0 44.6 298 757 A G T 3 S+ 0 0 10 1,-0.1 3,-1.9 2,-0.1 8,-0.1 0.911 72.3 175.6 47.3 58.9 15.1 14.9 47.1 303 762 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.741 74.2 55.9 -69.8 -16.5 14.2 18.6 47.5 304 763 A N T 3 S+ 0 0 155 2,-0.1 2,-0.4 0, 0.0 -2,-0.1 0.446 102.3 72.2 -82.8 -6.4 16.9 19.0 50.1 305 764 A L S < S- 0 0 40 -3,-1.9 2,-0.0 -4,-0.1 3,-0.0 -0.917 70.9-134.2-124.1 136.9 19.7 17.7 47.7 306 765 A S > - 0 0 55 -2,-0.4 4,-1.8 1,-0.1 5,-0.1 -0.264 44.9 -98.1 -65.0 170.7 21.6 18.9 44.7 307 766 A N H > S+ 0 0 81 2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.963 126.9 46.8 -56.9 -50.0 21.9 16.4 41.8 308 767 A Q H > S+ 0 0 100 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.879 109.6 52.0 -64.2 -42.3 25.4 15.5 43.0 309 768 A Q H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.809 105.6 57.9 -60.5 -30.5 24.4 15.2 46.6 310 769 A T H X S+ 0 0 5 -4,-1.8 4,-2.7 -3,-0.4 5,-0.3 0.941 106.4 48.1 -66.7 -49.0 21.6 12.8 45.5 311 770 A R H X S+ 0 0 73 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.953 116.1 43.5 -51.8 -52.4 24.2 10.4 43.9 312 771 A E H < S+ 0 0 104 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.871 112.9 51.7 -64.3 -40.4 26.3 10.6 47.1 313 772 A F H ><>S+ 0 0 81 -4,-2.6 5,-2.8 2,-0.2 3,-1.3 0.948 112.7 45.2 -60.9 -51.6 23.3 10.1 49.4 314 773 A V H ><5S+ 0 0 9 -4,-2.7 3,-2.1 1,-0.3 -2,-0.2 0.868 105.5 61.8 -62.3 -39.5 22.0 7.1 47.5 315 774 A E T 3<5S+ 0 0 71 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.577 106.6 45.6 -67.4 -11.6 25.6 5.6 47.4 316 775 A K T < 5S- 0 0 196 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.114 133.4 -86.6-113.7 14.5 25.6 5.4 51.2 317 776 A G T < 5S+ 0 0 55 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.365 76.1 148.8 101.8 0.3 22.1 4.0 51.5 318 777 A G < + 0 0 14 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.3 -0.350 16.9 171.6 -64.5 141.0 19.9 7.1 51.5 319 778 A R - 0 0 52 -2,-0.0 16,-0.0 -6,-0.0 -1,-0.0 -0.932 39.7 -83.6-140.7 165.4 16.4 6.8 50.0 320 779 A L - 0 0 6 -2,-0.3 2,-0.1 1,-0.1 -28,-0.0 -0.349 49.5-114.4 -61.5 146.9 13.4 9.0 49.7 321 780 A P - 0 0 90 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.426 38.8 -85.6 -79.7 163.8 11.1 8.9 52.8 322 781 A C - 0 0 46 -2,-0.1 6,-0.1 1,-0.1 -30,-0.0 -0.535 47.4-121.7 -69.3 119.0 7.5 7.5 52.6 323 782 A P > - 0 0 11 0, 0.0 3,-1.3 0, 0.0 -27,-0.1 -0.303 21.4-115.4 -59.3 147.5 5.1 10.3 51.4 324 783 A E T 3 S+ 0 0 206 1,-0.3 -28,-0.1 -28,-0.0 -2,-0.1 0.889 116.5 43.8 -47.5 -45.5 2.3 11.0 53.9 325 784 A L T 3 S+ 0 0 70 -30,-0.7 -1,-0.3 2,-0.1 -29,-0.1 0.545 90.6 103.6 -78.1 -13.8 -0.3 9.8 51.4 326 785 A C S < S- 0 0 7 -3,-1.3 -34,-0.0 -31,-0.2 5,-0.0 -0.646 73.7-125.6 -79.1 118.3 1.6 6.7 50.4 327 786 A P > - 0 0 23 0, 0.0 4,-2.3 0, 0.0 3,-0.4 -0.278 22.1-116.6 -57.1 148.5 0.3 3.4 51.9 328 787 A D H > S+ 0 0 136 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.834 115.0 55.3 -56.7 -38.2 2.9 1.4 53.7 329 788 A A H > S+ 0 0 23 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.846 107.5 49.5 -64.5 -37.8 2.6 -1.5 51.2 330 789 A V H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.927 110.1 51.0 -68.6 -39.4 3.3 0.8 48.3 331 790 A F H X S+ 0 0 32 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.898 106.5 53.7 -65.2 -37.3 6.3 2.2 50.1 332 791 A R H X S+ 0 0 170 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.923 110.2 48.8 -61.8 -38.8 7.6 -1.4 50.7 333 792 A L H X S+ 0 0 2 -4,-1.8 4,-2.5 1,-0.2 3,-0.3 0.930 109.2 52.2 -64.7 -43.7 7.3 -1.9 46.9 334 793 A M H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.891 105.7 54.2 -58.9 -43.2 9.1 1.3 46.2 335 794 A E H < S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 108.8 48.8 -62.3 -35.1 12.0 0.2 48.5 336 795 A Q H >< S+ 0 0 95 -4,-1.4 3,-1.7 -3,-0.3 -2,-0.2 0.883 107.7 55.4 -65.5 -44.0 12.3 -3.1 46.4 337 796 A C H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.818 111.5 45.0 -58.6 -34.1 12.2 -1.0 43.2 338 797 A W T 3< S+ 0 0 4 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 -0.016 77.1 144.9-103.9 32.8 15.2 1.0 44.7 339 798 A A < - 0 0 18 -3,-1.7 6,-0.2 1,-0.1 5,-0.1 -0.490 54.4-131.9 -61.1 131.3 17.2 -2.0 45.9 340 799 A Y S S+ 0 0 103 -2,-0.2 -69,-0.2 4,-0.1 -1,-0.1 0.914 95.7 70.0 -56.3 -45.1 20.9 -1.1 45.4 341 800 A E S > S- 0 0 103 1,-0.2 3,-1.7 2,-0.0 4,-0.5 -0.653 79.5-149.8 -76.2 111.4 21.5 -4.6 43.7 342 801 A P G > S+ 0 0 24 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.880 93.2 60.3 -57.3 -36.6 19.7 -4.3 40.3 343 802 A G G 3 S+ 0 0 48 1,-0.2 -3,-0.1 -3,-0.1 -2,-0.0 0.668 98.5 59.4 -61.7 -24.1 19.0 -8.1 40.3 344 803 A Q G < S+ 0 0 147 -3,-1.7 -1,-0.2 -5,-0.1 -4,-0.1 0.600 83.2 102.4 -81.5 -12.6 17.0 -7.8 43.5 345 804 A R S < S- 0 0 15 -3,-1.3 -8,-0.2 -4,-0.5 -9,-0.0 -0.404 78.9-109.1 -68.4 144.4 14.5 -5.3 42.0 346 805 A P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.300 31.1-108.9 -68.1 158.4 11.1 -6.7 41.1 347 806 A S > - 0 0 59 1,-0.1 4,-2.7 -63,-0.0 5,-0.2 -0.418 28.3-109.4 -74.7 163.4 10.0 -7.1 37.5 348 807 A F H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 -122,-0.2 0.864 121.2 55.3 -61.3 -33.0 7.3 -4.9 35.9 349 808 A S H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.931 109.4 45.8 -63.0 -45.1 5.0 -7.9 36.0 350 809 A T H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.928 112.5 51.0 -63.2 -46.4 5.5 -8.3 39.7 351 810 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.918 110.9 49.0 -53.0 -48.8 5.1 -4.5 40.3 352 811 A Y H X S+ 0 0 79 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.926 112.4 48.4 -59.4 -46.6 1.8 -4.6 38.3 353 812 A Q H X S+ 0 0 117 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.879 113.0 46.3 -61.9 -43.7 0.5 -7.6 40.3 354 813 A E H X S+ 0 0 70 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.868 111.6 51.0 -74.6 -37.8 1.3 -6.1 43.6 355 814 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.917 110.8 49.7 -61.9 -40.3 -0.2 -2.6 42.8 356 815 A Q H X S+ 0 0 100 -4,-2.2 4,-0.9 -5,-0.2 -2,-0.2 0.904 112.3 47.8 -64.8 -38.4 -3.4 -4.4 41.7 357 816 A S H >< S+ 0 0 48 -4,-1.8 3,-0.8 2,-0.2 4,-0.3 0.940 111.5 48.8 -69.9 -48.2 -3.5 -6.3 44.9 358 817 A I H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.2 -2,-0.2 0.904 102.9 63.9 -57.2 -38.0 -2.9 -3.3 47.1 359 818 A R H >< S+ 0 0 90 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.798 91.0 63.5 -64.8 -26.9 -5.6 -1.4 45.3 360 819 A K T << S+ 0 0 169 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.610 96.7 60.6 -70.3 -10.1 -8.3 -3.8 46.5 361 820 A R T < S+ 0 0 151 -3,-2.2 2,-0.4 -4,-0.3 -1,-0.3 0.132 94.3 76.9 -99.4 15.6 -7.5 -2.6 50.1 362 821 A H < 0 0 49 -3,-1.5 -152,-0.0 -151,-0.0 0, 0.0 -0.987 360.0 360.0-130.9 133.6 -8.4 1.0 49.3 363 822 A R 0 0 120 -2,-0.4 -151,-0.5 -151,-0.0 -152,-0.1 -0.479 360.0 360.0 -79.2 360.0 -12.0 2.4 49.0