==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-APR-12 4EHG . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE B-RAF; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.C.VOEGTLI . 522 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25092.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 12.8 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 51 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 2 0 2 0 0 0 3 2 1 2 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 4 2 3 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 2 0 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 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 1 448 A D 0 0 133 0, 0.0 386,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -74.5 -4.7 42.0 11.6 2 449 A D - 0 0 90 1,-0.2 322,-0.0 69,-0.0 0, 0.0 0.102 360.0-129.9 -33.0 131.9 -1.8 39.6 11.2 3 450 A W + 0 0 19 68,-0.1 69,-2.3 2,-0.1 2,-0.4 0.325 69.3 123.6 -77.9 11.7 -3.0 36.0 10.9 4 451 A E B -a 72 0A 52 67,-0.2 69,-0.2 69,-0.1 67,-0.0 -0.619 54.5-148.5 -70.9 124.6 -0.5 34.9 13.6 5 452 A I - 0 0 7 67,-2.4 5,-0.2 -2,-0.4 4,-0.1 -0.878 22.1-117.9-104.7 108.4 -2.5 33.3 16.5 6 453 A P > - 0 0 52 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.016 36.2 -95.1 -49.5 138.4 -0.7 33.9 19.8 7 454 A D T 3 S+ 0 0 99 1,-0.2 67,-0.0 2,-0.1 66,-0.0 -0.162 108.8 34.7 -53.7 145.4 0.5 30.8 21.6 8 455 A G T 3 S+ 0 0 71 2,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.287 94.9 88.4 90.3 -10.8 -1.9 29.4 24.3 9 456 A Q S < S+ 0 0 95 -3,-1.5 2,-0.6 -4,-0.1 -2,-0.1 0.826 71.6 75.6 -84.8 -36.2 -5.0 30.3 22.4 10 457 A I - 0 0 30 -4,-0.4 2,-0.5 -5,-0.2 -2,-0.2 -0.706 69.9-152.5 -85.0 117.3 -5.3 27.1 20.4 11 458 A T E -B 28 0A 90 17,-2.5 17,-1.7 -2,-0.6 2,-0.6 -0.771 16.9-142.3 -80.3 125.4 -6.5 24.1 22.4 12 459 A V E +B 27 0A 69 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.838 28.0 169.8 -98.8 120.9 -5.1 21.0 20.8 13 460 A G E - 0 0 39 13,-2.0 14,-0.1 -2,-0.6 -1,-0.1 0.247 42.1 -0.7 -99.4-138.5 -7.4 18.0 20.7 14 461 A Q E - 0 0 138 11,-0.1 12,-2.2 1,-0.1 2,-0.4 -0.250 63.9-122.9 -55.4 130.1 -7.4 14.6 19.1 15 462 A R E +B 25 0A 124 10,-0.2 10,-0.3 1,-0.2 -1,-0.1 -0.647 35.2 177.4 -67.4 124.0 -4.5 13.6 16.8 16 463 A I E - 0 0 78 8,-3.9 2,-0.3 -2,-0.4 9,-0.2 0.761 44.2 -54.2-106.9 -25.0 -6.3 12.8 13.5 17 464 A G E -B 24 0A 19 7,-1.4 7,-3.6 2,-0.0 -1,-0.3 -0.973 48.9 -82.2 173.2 177.6 -3.5 12.0 11.0 18 465 A S E +B 23 0A 94 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.609 39.4 164.7 -97.2 166.6 -0.3 12.8 9.0 19 466 A G E > -B 22 0A 22 3,-1.8 3,-0.5 -2,-0.2 128,-0.0 -0.446 55.3 -32.8 172.3 107.6 -0.1 15.0 6.0 20 467 A S T 3 S- 0 0 41 1,-0.2 131,-0.1 -2,-0.1 3,-0.1 0.884 124.2 -20.8 39.0 85.0 2.8 16.8 4.1 21 468 A F T 3 S+ 0 0 95 1,-0.2 2,-0.3 129,-0.1 -1,-0.2 0.431 127.5 53.6 73.7 5.7 5.4 17.9 6.7 22 469 A G E < S-B 19 0A 5 -3,-0.5 -3,-1.8 16,-0.2 2,-0.3 -0.903 74.1-109.0-151.7-179.0 3.1 17.8 9.7 23 470 A T E -BC 18 37A 13 14,-1.6 14,-3.8 -2,-0.3 2,-0.4 -0.897 32.6-135.8-114.1 147.5 0.6 16.1 11.9 24 471 A V E -BC 17 36A 32 -7,-3.6 -8,-3.9 -2,-0.3 -7,-1.4 -0.905 21.2-179.0-117.3 133.4 -3.1 17.1 12.0 25 472 A Y E -BC 15 35A 55 10,-2.2 10,-2.4 -2,-0.4 2,-0.3 -0.954 30.9-120.9-127.8 140.5 -5.3 17.6 15.1 26 473 A K E - C 0 34A 76 -12,-2.2 -13,-2.0 -2,-0.4 2,-0.3 -0.628 50.0-178.4 -71.3 143.5 -8.9 18.5 15.7 27 474 A G E -BC 12 33A 3 6,-3.5 6,-3.8 -2,-0.3 2,-0.5 -0.983 33.9-121.9-150.2 156.7 -8.8 21.7 17.8 28 475 A K E +BC 11 32A 84 -17,-1.7 -17,-2.5 -2,-0.3 4,-0.2 -0.895 43.8 136.3 -99.8 128.3 -10.6 24.4 19.6 29 476 A W S S- 0 0 22 2,-3.1 -19,-0.1 -2,-0.5 -2,-0.1 -0.585 93.2 -19.5-165.6 106.5 -10.1 28.1 18.6 30 477 A H S S- 0 0 47 -2,-0.1 353,-0.1 3,-0.0 2,-0.0 0.988 138.9 -38.1 45.1 62.2 -13.3 30.2 18.4 31 478 A G S S- 0 0 8 2,-0.0 -2,-3.1 348,-0.0 345,-0.0 -0.222 117.9 -8.2 80.2-177.4 -15.0 26.9 18.2 32 479 A D E +C 28 0A 60 -4,-0.2 52,-0.7 -2,-0.0 2,-0.3 -0.141 68.9 162.7 -51.8 135.1 -13.9 23.7 16.3 33 480 A V E -CD 27 83A 0 -6,-3.8 -6,-3.5 50,-0.2 2,-0.4 -0.958 34.6-121.2-144.8 166.1 -10.8 24.0 14.0 34 481 A A E -CD 26 82A 13 48,-3.8 48,-2.3 -2,-0.3 2,-0.4 -0.879 25.4-162.7-106.2 145.0 -8.2 21.8 12.3 35 482 A V E -CD 25 81A 2 -10,-2.4 -10,-2.2 -2,-0.4 2,-0.6 -0.938 10.6-160.1-135.6 112.2 -4.5 22.2 13.1 36 483 A K E -CD 24 80A 34 44,-2.5 44,-2.2 -2,-0.4 2,-0.9 -0.837 14.8-151.7 -90.4 121.5 -1.6 21.0 11.1 37 484 A M E -CD 23 79A 25 -14,-3.8 2,-3.2 -2,-0.6 -14,-1.6 -0.812 8.4-145.2 -99.4 100.8 1.4 20.9 13.3 38 485 A L - 0 0 6 40,-1.2 -16,-0.2 -2,-0.9 41,-0.1 -0.040 12.9-155.0 -68.5 42.4 4.4 21.4 11.0 39 486 A N + 0 0 83 -2,-3.2 -1,-0.1 1,-0.1 40,-0.0 0.212 61.5 112.4 -32.1 78.9 6.8 19.1 12.8 40 487 A V S S- 0 0 67 38,-0.1 -1,-0.1 3,-0.0 38,-0.1 -0.663 73.5-139.3-139.4 75.6 10.0 20.8 11.6 41 488 A T - 0 0 109 1,-0.2 36,-0.1 36,-0.1 -2,-0.0 -0.172 59.6 -15.6 -61.0 123.6 10.6 22.0 15.2 42 489 A A S S- 0 0 83 32,-0.2 -1,-0.2 34,-0.1 2,-0.1 0.971 86.6-129.2 42.1 87.1 11.9 25.5 15.5 43 490 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.455 8.2-115.4 -57.4 155.0 13.3 26.8 12.2 44 491 A T > - 0 0 85 -2,-0.1 3,-2.6 1,-0.1 4,-0.3 -0.778 53.0 -92.8 84.4 33.9 15.9 28.2 11.0 45 492 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.388 113.2 35.5 -48.6 133.8 15.1 31.7 9.7 46 493 A Q T 3> S+ 0 0 149 -3,-0.0 4,-0.6 0, 0.0 0, 0.0 -0.539 104.0 66.5-114.5 68.9 14.4 32.0 7.1 47 494 A Q H <> S+ 0 0 98 -3,-2.6 4,-2.9 2,-0.2 5,-0.2 0.567 99.1 66.7 -83.8 -26.9 12.5 28.8 6.7 48 495 A L H > S+ 0 0 55 -4,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.778 101.1 46.3 -51.3 -33.7 10.5 30.9 9.1 49 496 A Q H > S+ 0 0 73 -5,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.868 105.8 57.4 -76.5 -42.1 10.2 32.9 5.9 50 497 A A H X S+ 0 0 43 -4,-0.6 4,-2.5 2,-0.2 5,-0.3 0.937 108.0 48.0 -53.3 -52.0 9.3 29.9 3.8 51 498 A F H X S+ 0 0 8 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.951 109.9 53.2 -45.8 -57.5 6.4 29.2 6.1 52 499 A K H X S+ 0 0 78 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.810 110.4 48.4 -53.6 -37.4 5.4 32.9 5.8 53 500 A N H X S+ 0 0 80 -4,-2.3 4,-1.9 2,-0.2 3,-0.2 0.978 109.2 47.8 -68.9 -58.0 5.4 32.7 2.0 54 501 A E H X S+ 0 0 37 -4,-2.5 4,-1.5 1,-0.3 -2,-0.2 0.855 112.1 53.3 -56.1 -33.8 3.4 29.5 1.6 55 502 A V H X S+ 0 0 3 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.3 0.905 102.1 58.3 -60.4 -45.2 0.9 31.1 4.1 56 503 A G H < S+ 0 0 24 -4,-1.7 4,-0.4 1,-0.2 -2,-0.2 0.898 104.2 52.5 -50.0 -41.6 0.9 34.1 1.8 57 504 A V H >< S+ 0 0 41 -4,-1.9 3,-0.9 2,-0.2 -1,-0.2 0.918 109.4 49.5 -60.1 -44.5 -0.3 31.7 -0.9 58 505 A L H >< S+ 0 0 15 -4,-1.5 3,-3.4 1,-0.3 -2,-0.2 0.960 102.1 56.7 -63.2 -57.9 -3.1 30.5 1.3 59 506 A R T 3< S+ 0 0 102 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.560 94.0 73.4 -56.5 -5.1 -4.6 33.8 2.4 60 507 A K T < S+ 0 0 52 -3,-0.9 2,-0.5 -4,-0.4 -1,-0.3 0.641 86.5 79.1 -78.9 -14.1 -5.0 34.5 -1.3 61 508 A T < + 0 0 5 -3,-3.4 2,-0.3 -4,-0.2 8,-0.3 -0.838 44.0 162.0-105.0 126.1 -7.9 32.0 -1.4 62 509 A R + 0 0 3 -2,-0.5 2,-0.3 272,-0.1 3,-0.1 -0.760 30.4 131.8-138.5 89.5 -11.4 32.7 -0.2 63 510 A H > - 0 0 9 3,-0.3 3,-0.9 -2,-0.3 270,-0.0 -0.990 59.6-129.4-142.9 150.4 -13.8 30.1 -1.7 64 511 A V T 3 S+ 0 0 34 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.888 113.1 48.1 -61.5 -41.0 -16.6 27.8 -0.6 65 512 A N T 3 S+ 0 0 3 79,-0.1 80,-3.2 2,-0.1 2,-0.5 0.437 99.2 83.4 -87.7 5.5 -15.0 24.8 -2.2 66 513 A I B < S-f 145 0B 3 -3,-0.9 -3,-0.3 78,-0.3 80,-0.2 -0.942 94.0-107.0-109.0 121.5 -11.6 25.6 -0.7 67 514 A L - 0 0 29 78,-1.8 2,-0.6 -2,-0.5 -2,-0.1 -0.183 49.4-104.7 -42.3 118.7 -10.9 24.5 2.9 68 515 A L - 0 0 17 -4,-0.1 15,-1.8 16,-0.1 -1,-0.2 -0.356 26.9-144.5 -66.9 106.7 -11.0 27.7 4.9 69 516 A F E + E 0 82A 5 -2,-0.6 13,-0.2 -8,-0.3 3,-0.1 -0.462 26.1 170.1 -58.6 134.1 -7.6 29.0 5.9 70 517 A M E - 0 0 5 11,-2.9 2,-0.3 1,-0.4 12,-0.2 0.680 49.3 -47.8-123.4 -31.3 -8.1 30.6 9.3 71 518 A G E - E 0 81A 0 10,-1.9 10,-3.3 -66,-0.0 -1,-0.4 -0.974 42.5-128.4 177.0 179.7 -4.6 31.4 10.7 72 519 A Y E -aE 4 80A 7 -69,-2.3 -67,-2.4 -2,-0.3 2,-0.3 -0.928 9.8-149.7-140.9 167.2 -1.1 30.2 11.4 73 520 A S E + E 0 79A 3 6,-1.7 6,-1.2 -2,-0.3 4,-0.1 -0.957 23.4 166.3-145.8 130.2 1.3 30.1 14.3 74 521 A T + 0 0 31 -2,-0.3 -32,-0.2 4,-0.2 -1,-0.1 0.692 69.9 84.7 -89.2 -33.1 5.1 30.2 14.4 75 522 A K S S+ 0 0 101 1,-0.2 3,-0.1 -70,-0.1 -2,-0.0 0.811 100.6 15.2 -54.3 -70.5 5.1 30.8 18.1 76 523 A P S S- 0 0 65 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.976 142.0 -39.8 -68.8 -56.6 4.8 27.4 20.1 77 524 A Q S S- 0 0 69 -4,-0.1 2,-0.2 -36,-0.1 -36,-0.1 -0.825 85.8 -67.1-144.6-176.1 5.8 25.5 16.9 78 525 A L + 0 0 10 -2,-0.3 -40,-1.2 -38,-0.1 2,-0.3 -0.542 63.8 156.8 -78.3 145.4 4.8 26.0 13.3 79 526 A A E -DE 37 73A 2 -6,-1.2 -6,-1.7 -42,-0.2 2,-0.5 -0.987 37.3-138.2-165.9 149.7 1.2 25.4 12.3 80 527 A I E -DE 36 72A 21 -44,-2.2 -44,-2.5 -2,-0.3 2,-0.5 -0.975 20.1-157.1-116.8 131.6 -1.7 26.0 10.0 81 528 A V E +DE 35 71A 0 -10,-3.3 -11,-2.9 -2,-0.5 -10,-1.9 -0.910 22.8 156.7-109.4 122.9 -5.2 26.6 11.3 82 529 A T E -DE 34 69A 19 -48,-2.3 -48,-3.8 -2,-0.5 -13,-0.2 -0.888 46.4 -68.3-133.7 173.3 -8.2 25.9 9.2 83 530 A Q E -D 33 0A 7 -15,-1.8 -50,-0.2 -2,-0.3 2,-0.1 -0.214 47.6-120.5 -56.7 143.8 -11.9 25.1 9.7 84 531 A W - 0 0 54 -52,-0.7 2,-0.4 -57,-0.1 -16,-0.1 -0.418 23.7-138.3 -73.8 159.2 -12.9 21.8 11.1 85 532 A C - 0 0 17 2,-0.1 2,-1.0 -2,-0.1 52,-0.1 -0.931 9.4-152.1-129.4 117.2 -15.2 19.4 9.0 86 533 A E S S+ 0 0 79 -2,-0.4 53,-5.0 2,-0.0 54,-0.4 -0.742 78.5 52.4 -76.4 109.5 -18.1 17.4 10.2 87 534 A G E S-G 138 0B 30 -2,-1.0 2,-0.3 51,-0.2 51,-0.2 -0.899 85.0 -93.5 150.5-175.8 -17.7 14.7 7.6 88 535 A S E -G 137 0B 40 49,-0.7 49,-1.9 -2,-0.3 52,-0.1 -0.815 43.2 -82.5-127.3 168.7 -15.1 12.5 6.2 89 536 A S E > -G 136 0B 11 -2,-0.3 4,-2.9 47,-0.2 47,-0.2 -0.334 35.8-119.7 -66.0 154.5 -12.6 12.6 3.3 90 537 A L H > S+ 0 0 0 45,-2.6 4,-2.1 42,-0.6 43,-0.2 0.841 118.2 51.8 -62.9 -34.1 -13.8 11.6 -0.1 91 538 A Y H >>S+ 0 0 71 41,-1.7 4,-2.7 44,-0.3 5,-0.5 0.903 110.4 48.7 -64.6 -43.7 -11.2 8.8 -0.1 92 539 A H H >>S+ 0 0 69 40,-0.3 4,-2.1 1,-0.2 5,-2.0 0.992 110.8 48.7 -61.8 -60.5 -12.5 7.6 3.3 93 540 A H H <>S+ 0 0 9 -4,-2.9 6,-2.1 3,-0.2 5,-0.9 0.902 120.5 38.4 -38.0 -54.8 -16.1 7.6 2.1 94 541 A L H <5S+ 0 0 15 -4,-2.1 -2,-0.2 4,-0.2 -1,-0.2 0.951 127.3 20.4 -75.4 -54.8 -15.2 5.7 -1.0 95 542 A H H <5S+ 0 0 41 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.476 130.3 32.0-104.8 -3.4 -12.6 3.1 -0.3 96 543 A I T <> - 0 0 144 -2,-0.3 4,-2.2 1,-0.1 3,-0.6 -0.346 29.5-106.6 -63.4 148.8 -26.2 8.1 -5.8 103 550 A M H 3> S+ 0 0 11 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.818 118.6 57.0 -41.2 -46.1 -25.1 9.3 -9.2 104 551 A I H 3> S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 108.7 45.8 -60.3 -47.9 -26.6 12.7 -8.8 105 552 A K H <> S+ 0 0 67 -3,-0.6 4,-3.8 2,-0.2 5,-0.2 0.926 111.9 53.3 -54.4 -48.3 -24.5 13.3 -5.6 106 553 A L H X S+ 0 0 5 -4,-2.2 4,-2.3 1,-0.3 -2,-0.2 0.884 109.7 46.0 -60.6 -41.3 -21.4 11.9 -7.5 107 554 A I H X S+ 0 0 7 -4,-2.9 4,-2.9 -5,-0.2 -1,-0.3 0.911 115.1 49.9 -65.5 -37.8 -21.9 14.4 -10.3 108 555 A D H X S+ 0 0 56 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.921 108.7 49.0 -67.6 -46.6 -22.4 17.1 -7.7 109 556 A I H X S+ 0 0 0 -4,-3.8 4,-2.2 2,-0.2 -1,-0.2 0.947 113.7 49.9 -53.2 -50.0 -19.3 16.2 -5.7 110 557 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.952 109.3 49.8 -51.3 -55.8 -17.4 16.2 -9.1 111 558 A R H X S+ 0 0 59 -4,-2.9 4,-3.1 1,-0.3 -1,-0.2 0.897 113.0 46.7 -53.3 -48.3 -18.8 19.6 -10.1 112 559 A Q H X S+ 0 0 14 -4,-2.6 4,-2.1 2,-0.2 -1,-0.3 0.846 108.3 55.0 -64.5 -38.0 -17.9 21.2 -6.8 113 560 A T H X S+ 0 0 2 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.952 111.9 44.8 -61.8 -47.7 -14.4 19.7 -6.9 114 561 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.969 106.1 62.8 -54.0 -54.8 -13.9 21.3 -10.2 115 562 A Q H X S+ 0 0 8 -4,-3.1 4,-2.0 1,-0.3 -2,-0.2 0.845 107.2 42.1 -37.3 -56.1 -15.5 24.5 -8.9 116 563 A G H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -1,-0.3 0.897 113.1 52.4 -60.8 -47.3 -12.7 24.9 -6.3 117 564 A M H X S+ 0 0 0 -4,-1.9 4,-3.4 2,-0.2 5,-0.3 0.928 106.3 53.2 -57.3 -48.6 -9.9 23.9 -8.7 118 565 A D H X S+ 0 0 19 -4,-2.8 4,-3.9 1,-0.2 -1,-0.2 0.942 110.8 48.5 -52.4 -51.6 -11.0 26.4 -11.3 119 566 A Y H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.960 111.1 48.7 -49.3 -59.2 -10.8 29.1 -8.6 120 567 A L H <>S+ 0 0 0 -4,-2.9 5,-0.9 1,-0.2 3,-0.4 0.889 115.7 44.2 -52.9 -44.3 -7.3 27.9 -7.5 121 568 A H H ><5S+ 0 0 11 -4,-3.4 3,-4.0 1,-0.2 -1,-0.2 0.935 104.3 63.0 -63.9 -47.3 -6.2 28.0 -11.1 122 569 A A H 3<5S+ 0 0 52 -4,-3.9 -1,-0.2 1,-0.3 -2,-0.2 0.807 109.0 44.0 -46.2 -28.8 -8.0 31.4 -11.6 123 570 A K T 3<5S- 0 0 36 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.107 121.5-110.3-106.3 23.6 -5.5 32.5 -8.9 124 571 A S T < 5 + 0 0 100 -3,-4.0 2,-0.4 1,-0.2 -3,-0.2 0.940 68.9 141.4 47.5 62.6 -2.5 30.7 -10.5 125 572 A I < - 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