==== 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 4EHE . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE B-RAF; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.C.VOEGTLI . 542 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 66.1 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 . 62 11.4 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 . 0 0.0 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 . 40 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 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 3 0 2 1 0 0 4 1 2 1 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 . 2 0 2 4 2 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 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 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-116.0 15.0 -49.3 -1.0 2 449 A D - 0 0 78 1,-0.2 326,-0.0 69,-0.0 0, 0.0 0.295 360.0-144.9 -38.9 123.6 12.0 -47.2 0.2 3 450 A W + 0 0 7 2,-0.1 69,-1.7 70,-0.0 -1,-0.2 0.096 45.0 146.4 -82.1 21.3 13.1 -43.6 1.1 4 451 A E B -a 72 0A 61 67,-0.2 69,-0.2 1,-0.1 0, 0.0 -0.365 38.6-151.5 -49.3 130.7 10.6 -43.3 4.0 5 452 A I - 0 0 4 67,-1.6 69,-0.2 5,-0.0 5,-0.2 -0.805 15.4-136.2-115.3 91.4 12.2 -41.1 6.6 6 453 A P > - 0 0 58 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.037 31.0 -91.1 -42.0 144.9 10.8 -42.1 10.1 7 454 A D T 3 S+ 0 0 92 1,-0.2 2,-1.1 2,-0.2 0, 0.0 0.171 107.6 37.6 -51.9 173.2 9.8 -39.4 12.5 8 455 A G T 3 S+ 0 0 65 2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.070 98.7 85.9 72.0 -29.3 12.2 -37.9 15.0 9 456 A Q S < S+ 0 0 92 -3,-1.2 2,-0.5 -2,-1.1 -1,-0.2 0.905 77.0 65.0 -68.1 -47.8 15.0 -38.3 12.5 10 457 A I - 0 0 31 -4,-0.4 2,-0.5 -5,-0.2 -2,-0.2 -0.696 69.9-154.8 -85.7 124.2 14.6 -35.0 10.7 11 458 A T E -B 28 0A 83 17,-2.2 17,-1.8 -2,-0.5 2,-0.3 -0.866 11.9-148.1 -91.2 126.9 15.2 -31.8 12.7 12 459 A V E +B 27 0A 66 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.766 28.8 153.3 -93.1 142.1 13.3 -28.8 11.3 13 460 A G E + 0 0 41 13,-1.4 14,-0.1 1,-0.3 -1,-0.0 -0.400 41.2 16.5-136.3-143.1 14.8 -25.3 11.6 14 461 A Q E - 0 0 143 -2,-0.1 12,-2.6 11,-0.1 -1,-0.3 0.089 69.0-127.9 -42.0 139.0 14.8 -21.9 9.9 15 462 A R E +B 25 0A 120 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.609 38.4 151.1 -97.7 151.4 11.9 -21.2 7.5 16 463 A I + 0 0 89 8,-2.3 2,-0.2 -2,-0.2 9,-0.2 0.610 40.8 80.8-141.7 -40.4 12.0 -19.9 3.9 17 464 A G - 0 0 16 7,-1.7 -1,-0.2 1,-0.1 2,-0.2 -0.568 46.4-177.1 -96.4 146.0 9.2 -20.9 1.4 18 465 A S + 0 0 73 -2,-0.2 2,-0.1 5,-0.1 -1,-0.1 -0.491 37.6 48.8-125.3-170.2 5.7 -19.4 0.8 19 466 A G S S- 0 0 68 -2,-0.2 3,-0.1 2,-0.1 2,-0.1 -0.442 94.6 -57.9 78.3-154.7 2.4 -19.7 -1.1 20 467 A S S S+ 0 0 84 -2,-0.1 2,-0.3 1,-0.1 19,-0.0 0.094 108.7 78.0 -91.0-139.2 0.7 -23.1 -1.4 21 468 A F S S- 0 0 83 -2,-0.1 2,-0.2 132,-0.1 -1,-0.1 0.267 115.8 -66.5 47.9 -12.1 2.6 -26.1 -3.0 22 469 A G - 0 0 0 -2,-0.3 2,-0.4 16,-0.1 16,-0.3 -0.526 48.8 -85.7 128.2 165.9 4.3 -26.2 0.5 23 470 A T E - C 0 37A 15 14,-3.3 14,-3.4 -2,-0.2 2,-0.6 -0.921 35.8-143.8-108.4 136.9 6.6 -24.4 3.0 24 471 A V E - C 0 36A 34 -2,-0.4 -8,-2.3 12,-0.3 -7,-1.7 -0.906 19.2-179.3-109.0 121.3 10.3 -24.9 2.7 25 472 A Y E -BC 15 35A 55 10,-3.2 10,-3.2 -2,-0.6 2,-0.3 -0.923 31.0-119.2-115.5 143.0 12.5 -25.1 5.9 26 473 A K E + C 0 34A 70 -12,-2.6 -13,-1.4 -2,-0.4 8,-0.3 -0.654 48.8 175.2 -73.6 134.0 16.2 -25.6 6.2 27 474 A G E -BC 12 33A 3 6,-3.8 6,-1.6 -2,-0.3 2,-0.4 -0.524 32.0-115.7-130.5-169.2 16.8 -28.8 8.2 28 475 A K E +BC 11 32A 104 -17,-1.8 -17,-2.2 4,-0.3 4,-0.3 -0.977 40.3 140.7-140.3 125.2 19.3 -31.3 9.5 29 476 A W S S- 0 0 11 2,-3.7 -19,-0.1 -2,-0.4 -2,-0.1 -0.564 94.3 -21.8-165.4 94.7 19.4 -35.0 8.5 30 477 A H S S- 0 0 38 -2,-0.1 2,-0.2 301,-0.0 357,-0.1 0.912 141.6 -25.6 54.4 47.9 23.0 -36.4 8.2 31 478 A G S S- 0 0 17 52,-0.0 -2,-3.7 2,-0.0 2,-0.2 -0.500 116.3 -20.5 111.9 179.2 23.9 -32.7 7.8 32 479 A D E +C 28 0A 69 -4,-0.3 52,-0.8 -2,-0.2 -4,-0.3 -0.398 69.2 173.3 -58.6 125.5 22.1 -29.6 6.6 33 480 A V E -CD 27 83A 1 -6,-1.6 -6,-3.8 50,-0.2 2,-0.4 -0.798 31.6-122.3-125.1 170.7 19.1 -30.5 4.4 34 481 A A E -CD 26 82A 10 48,-2.8 48,-2.7 -8,-0.3 2,-0.5 -0.964 25.3-165.5-110.1 137.0 16.2 -28.7 2.8 35 482 A V E -CD 25 81A 3 -10,-3.2 -10,-3.2 -2,-0.4 2,-0.8 -0.970 8.5-162.8-126.5 116.6 12.7 -29.8 3.7 36 483 A K E -CD 24 80A 40 44,-2.7 44,-1.9 -2,-0.5 2,-0.7 -0.867 11.6-163.3 -97.0 106.8 9.6 -28.9 1.7 37 484 A M E -CD 23 79A 21 -14,-3.4 -14,-3.3 -2,-0.8 42,-0.2 -0.844 12.4-155.9 -93.5 116.8 6.6 -29.5 3.9 38 485 A L - 0 0 7 40,-1.7 -16,-0.1 -2,-0.7 -1,-0.1 0.657 15.6-159.3 -63.6 -17.9 3.4 -29.6 1.8 39 486 A N + 0 0 58 39,-0.6 2,-1.8 1,-0.2 -1,-0.1 0.419 41.7 142.4 45.7 4.4 1.4 -28.7 5.0 40 487 A V - 0 0 86 38,-0.2 -1,-0.2 1,-0.1 38,-0.1 -0.545 57.4-130.0 -68.2 85.4 -1.7 -30.1 3.4 41 488 A T - 0 0 118 -2,-1.8 -1,-0.1 1,-0.2 36,-0.1 -0.132 58.4 -9.5 -68.0 130.0 -2.8 -31.5 6.8 42 489 A A S S- 0 0 89 1,-0.2 2,-0.3 36,-0.0 -1,-0.2 0.965 72.3-158.1 49.7 75.5 -3.8 -35.1 7.4 43 490 A P - 0 0 38 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.842 12.2-159.7 -84.7 147.9 -4.4 -37.1 4.2 44 491 A T >> - 0 0 81 -2,-0.3 3,-1.3 1,-0.2 4,-0.8 -0.346 39.2 -69.4 83.9 85.8 -6.0 -39.7 3.7 45 492 A P T 34 S+ 0 0 93 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.442 112.6 46.5 -65.8 159.0 -5.3 -41.9 0.7 46 493 A Q T 3> S+ 0 0 155 -2,-0.1 4,-1.7 -3,-0.1 5,-0.1 -0.941 119.9 53.8 -86.2 19.0 -5.6 -41.9 -2.2 47 494 A Q H <> S+ 0 0 107 -3,-1.3 4,-1.7 2,-0.2 5,-0.1 0.941 112.6 47.2 -65.7 -48.7 -4.0 -38.5 -1.6 48 495 A L H X S+ 0 0 43 -4,-0.8 4,-1.9 1,-0.2 3,-0.2 0.935 110.2 52.6 -53.4 -50.8 -1.3 -40.3 0.3 49 496 A Q H > S+ 0 0 90 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.864 105.8 54.8 -54.0 -40.1 -1.0 -42.8 -2.5 50 497 A A H X S+ 0 0 31 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.890 105.2 51.7 -63.6 -43.8 -0.5 -40.0 -5.1 51 498 A F H X S+ 0 0 2 -4,-1.7 4,-2.6 -3,-0.2 5,-0.2 0.919 106.5 53.9 -57.8 -48.9 2.4 -38.5 -3.1 52 499 A K H X S+ 0 0 91 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.836 111.6 46.4 -54.2 -35.7 4.1 -41.8 -3.1 53 500 A N H X S+ 0 0 94 -4,-1.3 4,-0.8 2,-0.2 -1,-0.2 0.832 109.2 53.4 -76.1 -35.9 3.7 -41.9 -6.9 54 501 A E H >X S+ 0 0 18 -4,-2.1 4,-1.1 1,-0.2 3,-0.6 0.858 106.0 53.7 -65.3 -40.3 5.0 -38.4 -7.3 55 502 A V H 3X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.852 96.4 69.6 -55.7 -39.9 8.1 -39.3 -5.3 56 503 A G H 3< S+ 0 0 20 -4,-1.0 4,-0.4 1,-0.2 -1,-0.2 0.838 97.8 49.7 -50.7 -39.3 8.5 -42.1 -7.8 57 504 A V H X< S+ 0 0 41 -4,-0.8 3,-1.6 -3,-0.6 -1,-0.2 0.949 108.4 52.8 -65.4 -49.0 9.4 -39.6 -10.5 58 505 A L H >< S+ 0 0 13 -4,-1.1 3,-2.4 1,-0.3 11,-0.2 0.896 100.5 59.6 -53.9 -47.2 12.0 -37.8 -8.3 59 506 A R T 3< S+ 0 0 38 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.658 93.2 69.5 -60.4 -13.3 13.9 -41.0 -7.4 60 507 A K T < S+ 0 0 52 -3,-1.6 2,-0.5 -4,-0.4 -1,-0.3 0.534 83.3 91.4 -80.7 -7.4 14.5 -41.4 -11.2 61 508 A T < + 0 0 3 -3,-2.4 8,-0.3 -4,-0.2 2,-0.2 -0.801 38.7 155.3 -98.2 124.7 16.8 -38.3 -11.1 62 509 A R + 0 0 2 -2,-0.5 2,-0.3 276,-0.1 5,-0.1 -0.705 29.0 122.2-145.9 91.6 20.6 -38.7 -10.5 63 510 A H > - 0 0 7 3,-0.3 3,-1.9 -2,-0.2 235,-0.0 -0.980 64.8-123.8-159.3 137.8 22.6 -35.8 -12.0 64 511 A V T 3 S+ 0 0 32 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.788 114.7 46.9 -52.0 -29.3 25.0 -33.1 -10.8 65 512 A N T 3 S+ 0 0 3 79,-0.1 80,-2.5 2,-0.1 2,-0.4 0.507 98.9 78.6 -98.4 -6.0 22.7 -30.4 -12.2 66 513 A I B < S-f 145 0B 5 -3,-1.9 -3,-0.3 78,-0.3 80,-0.1 -0.883 94.9-102.7-100.2 133.8 19.5 -31.8 -10.7 67 514 A L - 0 0 39 78,-1.7 2,-0.9 -2,-0.4 -4,-0.1 -0.258 43.5-105.9 -53.0 136.1 18.8 -31.1 -7.0 68 515 A L - 0 0 22 -4,-0.1 15,-1.7 -6,-0.1 2,-0.5 -0.578 25.9-150.8 -77.8 105.2 19.5 -34.2 -4.9 69 516 A F E + E 0 82A 6 -2,-0.9 13,-0.2 -8,-0.3 3,-0.1 -0.635 23.2 170.7 -67.2 124.3 16.3 -35.9 -3.8 70 517 A M E - 0 0 2 11,-2.6 2,-0.3 -2,-0.5 12,-0.2 0.604 51.3 -48.3-111.8 -18.4 17.4 -37.5 -0.5 71 518 A G E - E 0 81A 0 10,-1.5 10,-4.8 -66,-0.0 -1,-0.4 -0.901 46.3-112.6 158.6 168.3 14.1 -38.7 1.0 72 519 A Y E -aE 4 80A 2 -69,-1.7 -67,-1.6 8,-0.3 2,-0.3 -0.976 14.3-138.9-135.4 144.8 10.4 -38.0 2.0 73 520 A S E + E 0 79A 5 6,-2.3 6,-2.7 -2,-0.3 -69,-0.1 -0.798 24.8 161.9 -99.5 141.4 8.4 -37.6 5.1 74 521 A T + 0 0 37 -2,-0.3 -1,-0.1 4,-0.2 6,-0.0 0.604 69.6 57.7-114.7 -42.0 4.8 -38.9 5.6 75 522 A K S S+ 0 0 140 1,-0.2 3,-0.1 -70,-0.1 -2,-0.1 0.975 109.7 31.9 -62.5 -80.8 4.4 -38.9 9.4 76 523 A P S S- 0 0 66 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.884 142.4 -42.5 -47.1 -43.8 5.0 -35.4 10.9 77 524 A Q S S- 0 0 49 -36,-0.1 2,-0.4 -35,-0.0 -36,-0.1 -0.880 77.6 -71.5-156.7 177.9 3.5 -34.1 7.6 78 525 A L S S+ 0 0 17 -2,-0.3 -40,-1.7 -38,-0.1 -39,-0.6 -0.756 72.0 154.2 -74.5 131.4 3.8 -35.0 3.9 79 526 A A E -DE 37 73A 0 -6,-2.7 -6,-2.3 -2,-0.4 2,-0.4 -0.995 41.1-139.2-162.9 153.3 7.3 -33.8 2.9 80 527 A I E -DE 36 72A 15 -44,-1.9 -44,-2.7 -2,-0.3 2,-0.4 -0.974 17.9-153.7-120.5 132.9 10.3 -34.0 0.6 81 528 A V E +DE 35 71A 0 -10,-4.8 -11,-2.6 -2,-0.4 -10,-1.5 -0.891 19.9 168.1-109.1 132.5 13.9 -33.8 1.7 82 529 A T E -DE 34 69A 21 -48,-2.7 -48,-2.8 -2,-0.4 -13,-0.2 -0.862 43.3 -75.5-132.4 168.5 16.7 -32.6 -0.5 83 530 A Q E -D 33 0A 12 -15,-1.7 2,-0.4 -2,-0.3 -50,-0.2 -0.237 50.3-120.3 -53.9 152.7 20.3 -31.6 -0.3 84 531 A W - 0 0 61 -52,-0.8 2,-0.5 -51,-0.1 -50,-0.1 -0.816 25.4-142.4 -97.3 146.1 20.7 -28.1 1.1 85 532 A C - 0 0 9 -2,-0.4 2,-0.1 2,-0.1 52,-0.1 -0.934 1.1-144.2-117.8 132.7 22.5 -25.5 -1.1 86 533 A E S S+ 0 0 92 -2,-0.5 53,-1.2 2,-0.0 54,-0.6 -0.462 70.4 29.0 -81.7 160.3 24.9 -22.8 -0.1 87 534 A G S S- 0 0 28 51,-0.2 2,-0.2 52,-0.2 -2,-0.1 -0.278 96.1 -69.0 74.6-171.8 24.9 -19.5 -1.9 88 535 A S - 0 0 40 1,-0.1 49,-1.6 49,-0.1 52,-0.2 -0.568 45.1 -87.0-117.4 173.6 21.7 -18.1 -3.5 89 536 A S B > -G 136 0B 21 47,-0.2 4,-2.5 -2,-0.2 47,-0.2 -0.422 39.2-114.0 -76.9 159.2 19.2 -18.8 -6.4 90 537 A L H > S+ 0 0 0 45,-2.7 4,-3.0 42,-0.5 5,-0.3 0.843 118.0 55.6 -63.4 -39.4 19.9 -17.3 -9.9 91 538 A Y H > S+ 0 0 68 41,-2.0 4,-2.4 44,-0.3 5,-0.3 0.905 110.4 47.8 -57.7 -43.9 16.9 -15.1 -9.7 92 539 A H H >>S+ 0 0 56 40,-0.3 5,-2.6 2,-0.2 4,-1.9 0.950 112.3 47.4 -61.5 -49.6 18.4 -13.7 -6.5 93 540 A H H <>S+ 0 0 10 -4,-2.5 6,-2.0 3,-0.2 5,-0.9 0.946 121.5 36.2 -58.5 -48.0 21.9 -13.2 -8.0 94 541 A L H <5S+ 0 0 10 -4,-3.0 -2,-0.2 4,-0.2 -3,-0.2 0.965 131.9 19.5 -70.6 -57.7 20.5 -11.5 -11.1 95 542 A H H <5S+ 0 0 39 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.292 127.8 38.1-109.4 8.2 17.6 -9.4 -10.0 96 543 A I T <5S+ 0 0 96 -4,-1.9 -3,-0.2 -5,-0.3 -4,-0.1 0.661 133.0 14.4-121.1 -50.6 18.0 -9.0 -6.2 97 544 A I T > - 0 0 148 -2,-0.3 4,-2.3 1,-0.1 3,-0.7 -0.452 34.0-114.6 -63.1 142.2 31.6 -12.5 -16.1 103 550 A M H 3> S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.823 116.9 56.8 -51.4 -33.8 30.3 -13.3 -19.6 104 551 A I H 3> S+ 0 0 90 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.888 108.2 45.2 -65.5 -43.6 32.2 -16.7 -19.4 105 552 A K H X> S+ 0 0 74 -3,-0.7 4,-2.4 2,-0.2 3,-0.6 0.933 109.3 56.1 -64.9 -50.1 30.4 -17.7 -16.2 106 553 A L H 3X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.3 -2,-0.2 0.914 106.5 49.9 -48.4 -51.6 27.0 -16.6 -17.6 107 554 A I H 3X S+ 0 0 5 -4,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.828 111.4 52.3 -57.1 -30.1 27.5 -18.9 -20.6 108 555 A D H S+ 0 0 0 -4,-3.0 5,-2.2 1,-0.2 3,-0.3 0.917 115.2 44.4 -45.5 -51.6 15.3 -34.4 -17.2 121 568 A H H ><5S+ 0 0 11 -4,-3.4 3,-2.7 1,-0.2 -1,-0.2 0.915 108.6 55.5 -63.1 -45.8 13.8 -34.7 -20.7 122 569 A A H 3<5S+ 0 0 56 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.802 109.4 50.1 -57.4 -27.9 15.9 -37.8 -21.5 123 570 A K T 3<5S- 0 0 48 -4,-2.1 -1,-0.3 -3,-0.3 -2,-0.2 0.076 123.9-109.0 -96.8 23.2 14.3 -39.2 -18.4 124 571 A S T < 5S+ 0 0 97 -3,-2.7 2,-0.5 1,-0.2 -3,-0.2 0.834 72.1 139.1 55.5 41.1 10.8 -38.2 -19.6 125 572 A I < - 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0 0 81 1,-0.2 3,-1.4 2,-0.1 4,-0.1 -0.590 29.4-171.2 -75.4 94.2 53.1 -42.1 15.9 499 678 B L G > S+ 0 0 46 -2,-1.2 3,-0.8 1,-0.3 -1,-0.2 0.437 71.0 79.4 -73.7 -0.6 50.7 -39.4 17.2 500 679 B S G 3 S+ 0 0 93 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.474 78.9 73.0 -85.2 -0.7 53.5 -37.0 18.2 501 680 B K G < + 0 0 85 -3,-1.4 -1,-0.2 2,-0.1 2,-0.2 0.470 63.8 123.9 -86.6 -5.2 53.8 -35.9 14.5 502 681 B V S < S- 0 0 20 -3,-0.8 -30,-0.2 1,-0.1 4,-0.1 -0.432 79.7 -99.4 -59.7 123.2 50.4 -34.0 14.6 503 682 B R > - 0 0 81 -32,-1.7 3,-3.2 -2,-0.2 -1,-0.1 -0.216 36.6-110.6 -52.8 130.9 51.3 -30.4 13.5 504 683 B S T 3 S+ 0 0 132 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.532 114.0 55.9 -46.9 -19.2 51.6 -28.3 16.7 505 684 B N T 3 S+ 0 0 90 2,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.343 74.4 121.1 -98.2 2.2 48.5 -26.2 16.0 506 685 B C S < S- 0 0 10 -3,-3.2 5,-0.1 -35,-0.1 -4,-0.0 -0.477 77.3-104.8 -59.6 130.7 46.1 -29.3 15.8 507 686 B P >> - 0 0 22 0, 0.0 4,-1.1 0, 0.0 3,-0.7 -0.380 24.7-128.3 -60.1 142.5 43.4 -28.9 18.4 508 687 B K H 3> S+ 0 0 172 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.746 107.6 61.0 -72.3 -19.4 44.1 -31.3 21.3 509 688 B A H 3> S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.849 102.8 52.5 -65.7 -37.9 40.6 -32.7 21.1 510 689 B M H <> S+ 0 0 0 -3,-0.7 4,-1.5 2,-0.2 -2,-0.2 0.788 106.3 52.7 -67.4 -32.6 41.3 -33.8 17.5 511 690 B K H X S+ 0 0 81 -4,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.824 112.5 45.6 -72.7 -30.3 44.5 -35.5 18.8 512 691 B R H X S+ 0 0 158 -4,-1.2 4,-3.4 2,-0.2 -2,-0.2 0.868 110.6 51.6 -77.2 -41.5 42.3 -37.4 21.3 513 692 B L H X S+ 0 0 9 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.829 108.2 54.4 -61.1 -35.4 39.6 -38.3 18.8 514 693 B M H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.968 111.3 43.0 -62.2 -53.9 42.4 -39.6 16.7 515 694 B A H X S+ 0 0 39 -4,-1.6 4,-0.8 1,-0.2 3,-0.3 0.943 113.4 52.0 -56.4 -54.5 43.5 -41.9 19.5 516 695 B E H >< S+ 0 0 72 -4,-3.4 3,-0.6 1,-0.2 -1,-0.2 0.875 112.8 47.4 -45.9 -43.0 39.9 -42.8 20.4 517 696 B C H 3< S+ 0 0 0 -4,-2.2 -53,-0.3 1,-0.2 -1,-0.2 0.843 110.7 49.3 -73.2 -33.5 39.5 -43.7 16.7 518 697 B L H 3< S+ 0 0 15 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.378 74.1 150.2 -92.3 2.6 42.7 -45.8 16.4 519 698 B K << - 0 0 72 -4,-0.8 6,-0.1 -3,-0.6 5,-0.1 -0.069 45.9-141.1 -39.0 123.7 42.2 -48.0 19.5 520 699 B K S S+ 0 0 90 -27,-0.1 2,-0.6 -78,-0.1 -76,-0.3 0.865 92.1 70.5 -60.2 -39.8 43.8 -51.4 18.9 521 700 B K S > S- 0 0 152 1,-0.1 3,-1.5 -78,-0.1 4,-0.3 -0.737 84.7-144.8 -78.7 119.9 40.9 -53.0 20.7 522 701 B R G > S+ 0 0 87 -2,-0.6 3,-1.8 1,-0.3 -1,-0.1 0.840 90.1 59.0 -56.5 -39.5 38.0 -52.6 18.3 523 702 B D G 3 S+ 0 0 130 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.1 0.390 94.1 64.9 -82.9 6.3 35.2 -52.1 20.9 524 703 B E G < S+ 0 0 80 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.537 81.4 103.0 -94.7 -10.5 36.8 -49.1 22.4 525 704 B R S < S- 0 0 8 -3,-1.8 -8,-0.2 -4,-0.3 -9,-0.1 -0.559 72.0-131.0 -75.8 129.3 36.3 -47.2 19.1 526 705 B P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.316 21.8-118.5 -70.9 162.4 33.4 -44.8 19.0 527 706 B L > - 0 0 69 1,-0.0 4,-1.9 -67,-0.0 3,-0.5 -0.550 31.6 -95.1 -99.2 172.3 30.9 -44.9 16.1 528 707 B F H > S+ 0 0 1 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.888 115.2 60.5 -63.1 -51.5 30.3 -42.1 13.7 529 708 B P H > S+ 0 0 85 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.895 114.7 41.2 -36.3 -50.1 27.3 -40.2 15.2 530 709 B Q H > S+ 0 0 105 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.886 113.1 52.4 -68.6 -42.2 29.5 -39.6 18.2 531 710 B I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 3,-0.2 0.956 108.0 52.8 -55.3 -52.6 32.6 -38.8 16.1 532 711 B L H X S+ 0 0 11 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.871 106.1 53.7 -50.2 -45.2 30.6 -36.3 14.1 533 712 B A H X S+ 0 0 54 -4,-1.8 4,-1.9 -5,-0.4 -1,-0.2 0.914 110.1 47.3 -56.0 -46.8 29.6 -34.6 17.4 534 713 B S H X S+ 0 0 36 -4,-1.9 4,-2.4 -3,-0.2 -2,-0.2 0.891 112.2 48.4 -64.0 -42.6 33.3 -34.3 18.4 535 714 B I H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.933 112.7 47.9 -66.7 -45.5 34.4 -32.9 15.1 536 715 B E H X S+ 0 0 47 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.844 111.2 53.4 -60.5 -37.0 31.6 -30.3 15.1 537 716 B L H < S+ 0 0 112 -4,-1.9 4,-0.3 -5,-0.2 -2,-0.2 0.952 110.1 44.8 -62.0 -51.0 32.4 -29.4 18.7 538 717 B L H < S+ 0 0 4 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.641 105.3 64.4 -75.2 -13.5 36.1 -28.7 17.9 539 718 B A H >< S+ 0 0 41 -4,-1.2 3,-0.6 1,-0.2 -1,-0.2 0.966 99.5 51.5 -64.6 -54.2 35.1 -26.8 14.8 540 719 B R T 3< S+ 0 0 160 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.494 99.5 69.7 -61.9 -5.6 33.4 -24.2 16.9 541 720 B S T 3 S+ 0 0 87 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 -0.194 97.4 46.1-107.5 40.3 36.5 -23.8 19.0 542 721 B L S < S+ 0 0 70 -3,-0.6 -2,-0.1 -35,-0.0 -3,-0.1 0.618 101.8 39.3-147.0 -59.5 38.8 -22.2 16.5 543 722 B P 0 0 105 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.976 360.0 360.0 -70.6 -57.6 37.8 -19.1 14.2 544 723 B K 0 0 217 -4,-0.1 -3,-0.1 0, 0.0 -4,-0.1 0.727 360.0 360.0 -76.0 360.0 35.8 -17.3 16.9