==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 24-NOV-10 3PPK . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE B-RAF; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.C.VOEGTLI,G.P.A.VIGERS,T.MORALES,B.J.BRANDHUBER . 526 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 65.0 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 . 74 14.1 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 . 2 0.4 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 4 0 0 2 2 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 . 4 0 0 4 2 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 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 83 0, 0.0 320,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -33.2 58.2 6.1 -9.7 2 449 A D - 0 0 101 1,-0.1 0, 0.0 69,-0.0 0, 0.0 -0.169 360.0-145.6 -62.5 158.8 60.6 3.3 -10.6 3 450 A W + 0 0 14 2,-0.0 69,-1.9 68,-0.0 -1,-0.1 0.264 50.8 126.7-116.0 9.1 64.3 4.0 -11.2 4 451 A E B -a 72 0A 92 67,-0.2 69,-0.2 69,-0.0 -2,-0.0 -0.386 46.9-145.9 -71.6 149.1 65.3 1.5 -13.9 5 452 A I - 0 0 4 67,-1.8 69,-0.3 -2,-0.1 70,-0.3 -0.978 15.6-120.8-124.9 122.7 67.0 2.8 -17.0 6 453 A P > - 0 0 62 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.279 40.1 -89.3 -65.4 143.2 66.5 1.3 -20.5 7 454 A D T 3 S+ 0 0 101 1,-0.2 66,-0.0 2,-0.1 0, 0.0 -0.287 112.1 28.1 -57.0 122.3 69.5 -0.1 -22.5 8 455 A G T 3 S+ 0 0 59 2,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 -0.114 93.0 91.8 118.7 -34.0 71.0 2.7 -24.6 9 456 A Q S < S+ 0 0 96 -3,-1.7 2,-0.4 2,-0.0 -2,-0.1 0.859 75.1 71.4 -61.4 -39.9 70.2 5.7 -22.6 10 457 A I - 0 0 32 -4,-0.4 2,-0.5 19,-0.1 -2,-0.2 -0.665 67.8-160.1 -82.3 128.7 73.4 5.7 -20.6 11 458 A T E -B 28 0A 89 17,-2.2 17,-2.3 -2,-0.4 2,-0.5 -0.955 11.4-145.6-109.2 121.2 76.6 6.7 -22.5 12 459 A V E +B 27 0A 63 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.734 27.0 162.1 -92.2 128.7 79.8 5.4 -20.8 13 460 A G E + 0 0 48 13,-3.2 14,-0.1 -2,-0.5 -1,-0.1 0.202 45.3 11.0-110.0-130.4 82.9 7.6 -21.0 14 461 A Q E - 0 0 137 11,-0.1 12,-2.9 1,-0.1 2,-0.7 -0.169 61.9-128.9 -55.7 137.5 86.2 7.7 -19.1 15 462 A R E +B 25 0A 127 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.829 31.9 174.1 -82.2 116.4 87.2 5.0 -16.7 16 463 A I E - 0 0 83 8,-1.7 2,-0.3 -2,-0.7 9,-0.2 0.645 46.7 -79.5-103.3 -15.2 88.1 6.9 -13.5 17 464 A G E -B 24 0A 17 7,-1.4 7,-2.6 2,-0.0 2,-0.3 -0.998 55.5 -39.7 157.8-149.7 88.7 4.0 -11.1 18 465 A S E +B 23 0A 96 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.774 32.7 174.8-121.4 158.3 87.2 1.4 -8.7 19 466 A G E > -B 22 0A 15 3,-2.3 3,-2.5 -2,-0.3 18,-0.0 -0.953 54.0 -54.0-152.7 164.3 84.4 1.0 -6.2 20 467 A S T 3 S- 0 0 20 -2,-0.3 128,-0.1 1,-0.3 3,-0.1 -0.155 125.2 -2.2 -47.7 124.5 83.0 -1.8 -4.1 21 468 A F T 3 S+ 0 0 72 1,-0.1 2,-0.3 17,-0.0 -1,-0.3 0.725 131.2 2.8 63.4 26.0 82.1 -4.7 -6.4 22 469 A G E < S-B 19 0A 20 -3,-2.5 -3,-2.3 16,-0.1 2,-0.4 -0.994 81.7 -50.2 169.6-159.6 83.1 -2.8 -9.6 23 470 A T E -BC 18 37A 35 14,-1.8 14,-2.3 -2,-0.3 2,-0.4 -0.935 36.5-138.5-120.3 133.5 84.5 -0.1 -11.8 24 471 A V E +BC 17 36A 33 -7,-2.6 -8,-1.7 -2,-0.4 -7,-1.4 -0.754 24.3 179.9 -94.0 136.0 83.5 3.6 -11.8 25 472 A Y E -BC 15 35A 62 10,-2.9 10,-2.7 -2,-0.4 2,-0.4 -0.934 31.4-118.2-128.0 153.2 83.1 5.5 -15.1 26 473 A K E + C 0 34A 60 -12,-2.9 -13,-3.2 -2,-0.3 2,-0.3 -0.775 48.1 174.7 -81.4 137.8 82.2 9.0 -16.1 27 474 A G E -BC 12 33A 2 6,-3.1 6,-2.6 -2,-0.4 2,-0.5 -0.883 33.9-120.9-141.4 171.4 78.9 9.0 -18.1 28 475 A K E +BC 11 32A 100 -17,-2.3 -17,-2.2 -2,-0.3 4,-0.2 -0.981 42.6 138.9-118.7 120.0 76.2 10.9 -19.8 29 476 A W S S- 0 0 22 2,-3.2 -19,-0.1 -2,-0.5 -2,-0.1 -0.645 92.6 -25.8-158.1 103.6 72.6 10.5 -18.7 30 477 A H S S- 0 0 35 -2,-0.2 2,-0.2 297,-0.0 353,-0.1 0.912 137.5 -30.4 49.5 48.4 70.6 13.8 -18.5 31 478 A G S S- 0 0 13 2,-0.0 -2,-3.2 52,-0.0 2,-0.1 -0.612 115.5 -15.6 109.5-173.5 74.0 15.4 -18.0 32 479 A D E +C 28 0A 70 -4,-0.2 52,-0.6 -2,-0.2 2,-0.3 -0.428 69.8 170.4 -63.2 134.0 77.2 14.3 -16.4 33 480 A V E -CD 27 83A 0 -6,-2.6 -6,-3.1 50,-0.2 2,-0.4 -0.974 35.1-122.2-142.0 157.6 76.8 11.2 -14.2 34 481 A A E -CD 26 82A 16 48,-2.2 48,-2.2 -2,-0.3 2,-0.4 -0.875 29.6-167.1 -95.4 135.6 78.9 8.7 -12.3 35 482 A V E -CD 25 81A 0 -10,-2.7 -10,-2.9 -2,-0.4 2,-0.5 -0.989 7.0-167.0-127.7 122.8 78.3 5.1 -13.4 36 483 A K E -CD 24 80A 16 44,-2.4 44,-2.3 -2,-0.4 2,-0.4 -0.948 9.7-160.9-110.9 125.5 79.5 2.0 -11.5 37 484 A M E -CD 23 79A 21 -14,-2.3 -14,-1.8 -2,-0.5 42,-0.2 -0.874 17.1-163.4-112.8 137.2 79.4 -1.4 -13.2 38 485 A L + 0 0 3 40,-2.6 2,-0.3 -2,-0.4 41,-0.1 -0.055 63.6 69.4-109.3 28.3 79.4 -4.8 -11.5 39 486 A N + 0 0 18 39,-0.2 2,-0.2 -16,-0.1 -16,-0.2 -0.885 28.6 164.7-161.3 161.1 80.3 -6.8 -14.7 40 487 A V S S- 0 0 122 -2,-0.3 37,-0.0 2,-0.1 0, 0.0 -0.306 91.1 -7.8 2.9 125.7 82.0 -7.9 -17.3 41 488 A T S S- 0 0 122 -2,-0.2 0, 0.0 2,-0.1 0, 0.0 0.288 113.1 -20.1 65.6 179.8 79.8 -10.9 -18.3 42 489 A A S S- 0 0 86 1,-0.1 2,-0.2 -3,-0.1 -2,-0.1 -0.397 79.2-117.0 -55.6 135.0 76.8 -12.7 -16.8 43 490 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.521 14.3-124.5 -88.6 150.2 76.7 -11.9 -13.1 44 491 A T > - 0 0 76 -2,-0.2 4,-3.1 1,-0.1 3,-0.3 -0.470 28.5-114.5 -75.3 153.6 77.0 -14.1 -10.1 45 492 A P H > S+ 0 0 101 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.787 123.2 64.8 -54.5 -27.2 74.3 -14.2 -7.4 46 493 A Q H > S+ 0 0 117 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.937 107.3 37.8 -55.0 -51.8 77.2 -12.8 -5.5 47 494 A Q H > S+ 0 0 46 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.947 114.8 55.6 -64.9 -50.7 77.1 -9.7 -7.8 48 495 A L H X S+ 0 0 69 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.871 109.5 45.6 -49.3 -47.5 73.2 -9.8 -7.9 49 496 A Q H X S+ 0 0 131 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.855 113.0 50.2 -69.1 -35.6 72.9 -9.6 -4.1 50 497 A A H X S+ 0 0 8 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.873 112.5 48.6 -67.3 -37.9 75.5 -6.8 -3.9 51 498 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.971 113.0 43.9 -65.6 -57.5 73.6 -4.9 -6.6 52 499 A K H X S+ 0 0 107 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.816 112.3 56.1 -60.5 -33.8 70.1 -5.2 -5.1 53 500 A N H X S+ 0 0 45 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.987 110.7 41.1 -58.8 -60.6 71.5 -4.4 -1.7 54 501 A E H X S+ 0 0 9 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.903 114.7 50.8 -59.4 -48.0 73.1 -1.1 -2.7 55 502 A V H X S+ 0 0 9 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.935 109.8 51.7 -54.3 -49.9 70.2 0.1 -4.9 56 503 A G H < S+ 0 0 26 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.837 113.0 45.0 -55.1 -38.7 67.8 -0.7 -2.0 57 504 A V H >< S+ 0 0 3 -4,-1.8 3,-1.0 -3,-0.2 -1,-0.2 0.892 113.0 50.2 -72.3 -42.8 69.9 1.4 0.4 58 505 A L H >< S+ 0 0 4 -4,-2.8 3,-2.5 1,-0.3 11,-0.3 0.902 102.1 58.6 -67.0 -43.9 70.4 4.3 -2.1 59 506 A R T 3< S+ 0 0 64 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.566 101.7 60.0 -63.6 -6.1 66.7 4.7 -2.9 60 507 A K T < S+ 0 0 53 -3,-1.0 2,-0.5 -5,-0.2 -1,-0.3 0.503 93.0 84.5 -94.2 -6.6 66.2 5.3 0.8 61 508 A T < + 0 0 3 -3,-2.5 8,-0.3 -4,-0.1 2,-0.3 -0.871 37.9 155.3-108.9 124.3 68.6 8.3 0.8 62 509 A R + 0 0 2 -2,-0.5 2,-0.3 272,-0.1 3,-0.1 -0.829 33.5 117.7-141.0 98.7 67.6 11.9 -0.1 63 510 A H > - 0 0 4 3,-0.4 3,-2.0 -2,-0.3 270,-0.1 -0.935 66.6-118.9-164.8 139.7 70.0 14.4 1.4 64 511 A V T 3 S+ 0 0 33 -2,-0.3 4,-0.2 1,-0.3 -1,-0.1 0.878 112.5 50.9 -44.8 -50.3 72.4 17.1 0.3 65 512 A N T 3 S+ 0 0 7 79,-0.1 80,-2.5 2,-0.1 2,-0.5 0.334 97.3 80.0 -80.1 5.7 75.4 15.4 2.0 66 513 A I B < S-f 145 0B 3 -3,-2.0 -3,-0.4 78,-0.3 80,-0.2 -0.969 96.1-102.1-115.3 128.8 74.8 12.0 0.4 67 514 A L - 0 0 20 78,-2.2 2,-0.5 -2,-0.5 -2,-0.1 -0.250 47.5-111.7 -48.9 117.8 75.8 11.3 -3.2 68 515 A L - 0 0 16 -4,-0.2 15,-2.0 1,-0.1 2,-0.3 -0.423 23.7-143.9 -66.3 109.3 72.6 11.6 -5.1 69 516 A F E + E 0 82A 0 -2,-0.5 13,-0.3 -8,-0.3 3,-0.1 -0.570 22.9 176.0 -65.1 131.0 71.4 8.2 -6.5 70 517 A M E - 0 0 3 11,-3.1 2,-0.3 1,-0.4 12,-0.2 0.708 49.4 -55.3-112.9 -32.2 69.9 8.8 -9.9 71 518 A G E - E 0 81A 0 10,-2.1 10,-3.3 -66,-0.0 -1,-0.4 -0.974 43.5-117.6 170.5-178.0 69.0 5.4 -11.2 72 519 A Y E -aE 4 80A 18 -69,-1.9 -67,-1.8 -2,-0.3 2,-0.3 -0.978 10.4-154.7-147.1 157.2 70.2 1.9 -12.2 73 520 A S E + E 0 79A 4 6,-2.5 6,-3.2 -2,-0.3 -69,-0.0 -0.994 19.6 164.0-136.3 142.2 70.5 -0.4 -15.2 74 521 A T + 0 0 51 -2,-0.3 4,-0.1 -69,-0.3 -1,-0.1 0.620 60.7 86.4-118.4 -32.2 70.6 -4.2 -15.5 75 522 A K S S+ 0 0 126 -70,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.831 109.0 11.3 -50.7 -58.9 69.9 -4.7 -19.2 76 523 A P S S- 0 0 65 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.928 142.3 -14.4 -81.6 -48.0 73.4 -4.5 -20.7 77 524 A Q S S- 0 0 69 -38,-0.0 2,-0.4 -35,-0.0 -4,-0.1 -0.986 78.6 -91.6-153.5 143.1 75.4 -4.6 -17.4 78 525 A L + 0 0 7 -2,-0.3 -40,-2.6 -3,-0.1 2,-0.3 -0.475 62.3 168.3 -58.9 113.1 74.5 -4.2 -13.7 79 526 A A E -DE 37 73A 1 -6,-3.2 -6,-2.5 -2,-0.4 2,-0.4 -0.990 31.8-153.5-139.4 141.4 75.1 -0.4 -13.2 80 527 A I E -DE 36 72A 4 -44,-2.3 -44,-2.4 -2,-0.3 2,-0.5 -0.966 15.4-157.0-115.7 131.1 74.4 2.2 -10.6 81 528 A V E +DE 35 71A 0 -10,-3.3 -11,-3.1 -2,-0.4 -10,-2.1 -0.931 20.7 157.9-115.0 125.2 74.0 5.8 -11.7 82 529 A T E -DE 34 69A 14 -48,-2.2 -48,-2.2 -2,-0.5 -13,-0.2 -0.779 46.9 -71.4-129.7 176.0 74.5 8.8 -9.4 83 530 A Q E -D 33 0A 8 -15,-2.0 2,-0.4 -2,-0.2 -49,-0.2 -0.122 51.3-111.5 -60.9 166.2 75.3 12.5 -9.8 84 531 A W - 0 0 43 -52,-0.6 2,-0.6 -51,-0.2 -1,-0.1 -0.897 22.1-162.5-108.7 133.5 78.8 13.6 -10.9 85 532 A C - 0 0 21 -2,-0.4 2,-0.3 53,-0.1 52,-0.1 -0.946 6.0-157.0-114.9 109.7 81.3 15.5 -8.7 86 533 A E S S+ 0 0 115 -2,-0.6 53,-1.0 50,-0.1 54,-0.5 -0.677 73.9 50.7 -78.8 140.1 84.1 17.2 -10.5 87 534 A G S S- 0 0 29 -2,-0.3 50,-0.2 52,-0.1 53,-0.1 0.551 96.6-106.5 86.5 118.4 87.0 17.7 -8.0 88 535 A S - 0 0 47 1,-0.1 49,-1.7 48,-0.1 52,-0.1 0.392 39.2 -57.2 -78.1-165.8 87.8 14.4 -6.4 89 536 A S B > -G 136 0B 10 47,-0.2 4,-2.6 44,-0.1 47,-0.3 -0.217 49.8-108.1 -64.8 157.7 87.5 12.6 -3.0 90 537 A L H > S+ 0 0 1 45,-3.5 4,-2.8 42,-0.7 5,-0.2 0.851 121.7 58.0 -55.1 -36.3 88.8 14.0 0.2 91 538 A Y H >>S+ 0 0 61 41,-1.6 4,-3.4 44,-0.3 5,-0.6 0.957 107.1 44.8 -56.2 -56.2 91.5 11.2 -0.0 92 539 A H H >>S+ 0 0 64 40,-0.2 5,-2.2 1,-0.2 4,-1.6 0.931 114.6 49.8 -56.9 -49.5 92.7 12.4 -3.4 93 540 A H H <5S+ 0 0 9 -4,-2.6 6,-2.9 3,-0.2 5,-0.2 0.948 120.9 34.5 -51.0 -53.7 92.7 16.1 -2.2 94 541 A L H <5S+ 0 0 14 -4,-2.8 -2,-0.2 4,-0.2 -3,-0.2 0.923 130.4 22.6 -74.9 -49.5 94.7 15.2 0.9 95 542 A H H <5S+ 0 0 39 -4,-3.4 -3,-0.2 -5,-0.2 -1,-0.1 0.561 128.0 34.6-106.3 -9.1 97.1 12.4 0.1 96 543 A I T < - 0 0 149 -2,-0.1 4,-2.8 1,-0.1 3,-0.5 -0.581 28.2-112.1 -85.7 155.8 92.2 26.2 5.8 103 550 A M H > S+ 0 0 6 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.838 118.6 54.2 -57.7 -39.5 91.0 25.2 9.3 104 551 A I H > S+ 0 0 97 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.875 113.8 43.5 -60.5 -38.3 87.6 26.9 8.8 105 552 A K H > S+ 0 0 63 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.876 112.8 51.6 -75.1 -40.6 87.2 24.8 5.6 106 553 A L H X S+ 0 0 2 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.906 110.2 48.3 -63.1 -44.4 88.5 21.6 7.2 107 554 A I H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.894 109.3 54.4 -62.6 -40.1 86.0 22.0 10.1 108 555 A D H X S+ 0 0 52 -4,-1.4 4,-2.6 1,-0.2 5,-0.2 0.909 105.1 52.7 -60.3 -44.2 83.3 22.6 7.5 109 556 A I H X S+ 0 0 1 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.850 111.2 48.1 -58.7 -37.3 84.1 19.3 5.7 110 557 A A H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.924 110.7 49.9 -68.7 -45.9 83.8 17.5 9.1 111 558 A R H X S+ 0 0 70 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.897 112.3 47.5 -59.6 -44.5 80.5 19.2 9.9 112 559 A Q H X S+ 0 0 16 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.879 112.4 48.8 -65.8 -40.1 79.0 18.2 6.5 113 560 A T H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.930 112.0 48.8 -64.9 -46.3 80.3 14.6 6.8 114 561 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.860 108.3 57.3 -56.5 -36.6 78.8 14.4 10.3 115 562 A Q H X S+ 0 0 7 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.892 108.1 44.1 -63.9 -42.6 75.6 15.8 8.7 116 563 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.864 113.2 50.9 -70.2 -38.6 75.3 13.0 6.2 117 564 A M H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.884 105.8 54.9 -68.1 -40.9 76.1 10.3 8.7 118 565 A D H X S+ 0 0 20 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.931 109.8 48.7 -56.1 -46.7 73.5 11.6 11.2 119 566 A Y H X S+ 0 0 0 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.940 112.0 48.1 -55.4 -51.8 71.0 11.3 8.3 120 567 A L H <>S+ 0 0 0 -4,-2.2 5,-3.5 1,-0.2 3,-0.4 0.895 114.9 44.9 -59.2 -43.7 72.1 7.7 7.5 121 568 A H H ><5S+ 0 0 11 -4,-2.9 3,-1.7 3,-0.2 -1,-0.2 0.852 107.1 57.1 -71.7 -37.1 72.0 6.6 11.1 122 569 A A H 3<5S+ 0 0 62 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.683 110.9 47.0 -64.5 -17.5 68.6 8.3 11.7 123 570 A K T 3<5S- 0 0 55 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.320 121.3-113.4-101.2 2.5 67.5 6.0 8.8 124 571 A S T < 5 + 0 0 63 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.757 68.9 144.1 66.0 30.0 69.3 3.0 10.4 125 572 A I < - 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0 0 77 -3,-0.9 5,-0.1 1,-0.1 6,-0.1 -0.289 53.0-136.3 -54.6 131.0 56.3 30.7 -31.3 505 699 B K S S+ 0 0 104 -78,-0.1 2,-0.5 -77,-0.1 -76,-0.3 0.918 93.8 65.0 -57.4 -48.1 52.6 31.4 -31.0 506 700 B K S > S- 0 0 142 1,-0.1 3,-1.2 -78,-0.1 4,-0.1 -0.686 78.8-150.6 -77.7 125.1 51.7 28.1 -32.6 507 701 B R G > S+ 0 0 90 -2,-0.5 3,-2.3 1,-0.3 -1,-0.1 0.840 90.1 67.9 -68.5 -34.7 52.9 25.4 -30.2 508 702 B D G 3 S+ 0 0 141 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.1 0.513 97.1 58.1 -63.0 -4.3 53.5 22.7 -32.9 509 703 B E G < S+ 0 0 101 -3,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.388 84.8 99.8-105.2 -0.9 56.4 25.0 -34.0 510 704 B R S < S- 0 0 9 -3,-2.3 -8,-0.2 -6,-0.1 2,-0.1 -0.700 76.0-117.8 -89.6 137.8 58.3 25.0 -30.7 511 705 B P - 0 0 7 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.419 26.0-119.3 -72.5 147.4 61.3 22.7 -30.2 512 706 B L >> - 0 0 79 -2,-0.1 4,-1.8 1,-0.1 3,-1.0 -0.511 34.3 -99.7 -82.3 159.1 61.1 20.0 -27.6 513 707 B F H 3> S+ 0 0 1 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.766 118.9 61.3 -58.8 -34.6 63.7 20.1 -24.8 514 708 B P H 3> S+ 0 0 78 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.951 111.5 41.9 -51.1 -47.3 66.1 17.4 -26.2 515 709 B Q H <> S+ 0 0 116 -3,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.860 114.3 51.6 -67.1 -37.5 66.5 19.8 -29.2 516 710 B I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.936 109.5 50.7 -62.5 -46.9 66.7 22.8 -27.0 517 711 B L H X S+ 0 0 14 -4,-3.3 4,-2.3 1,-0.2 5,-0.2 0.938 108.6 49.1 -57.3 -53.8 69.4 21.2 -24.9 518 712 B A H X S+ 0 0 54 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.800 111.7 52.1 -58.7 -31.6 71.7 20.2 -27.8 519 713 B S H X S+ 0 0 38 -4,-1.4 4,-2.1 2,-0.2 5,-0.2 0.950 108.1 48.1 -69.7 -51.7 71.3 23.8 -29.2 520 714 B I H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.918 113.6 49.0 -54.8 -47.3 72.3 25.6 -25.9 521 715 B E H X S+ 0 0 38 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.858 107.7 53.9 -62.5 -40.5 75.4 23.2 -25.5 522 716 B L H X S+ 0 0 109 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.937 113.7 41.1 -60.4 -48.9 76.5 23.8 -29.1 523 717 B L H < S+ 0 0 12 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.630 111.1 60.2 -75.5 -13.4 76.6 27.5 -28.8 524 718 B A H < S+ 0 0 27 -4,-1.0 3,-0.4 -5,-0.2 -1,-0.2 0.849 106.3 44.8 -78.6 -37.9 78.1 27.1 -25.3 525 719 B R H < S+ 0 0 173 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.802 111.9 52.5 -74.7 -31.5 81.2 25.3 -26.6 526 720 B S S < S+ 0 0 83 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.544 102.9 70.2 -76.2 -7.7 81.6 27.8 -29.4 527 721 B L S S+ 0 0 44 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.1 0.962 79.4 57.0 -83.1 -58.3 81.5 30.6 -26.8 528 722 B P 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.679 360.0 360.0 -63.0 -17.5 84.5 30.9 -24.5 529 723 B K 0 0 230 -4,-0.3 -2,-0.2 -3,-0.0 -3,-0.1 0.983 360.0 360.0 -63.1 360.0 86.8 31.3 -27.6