==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 16-JAN-12 4DBN . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE B-RAF; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.K.YANO,K.AERTGEERTS . 520 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 64.2 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 . 66 12.7 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 . 3 0.6 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 . 33 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 1 1 2 0 0 0 4 1 0 1 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 . 1 0 3 3 3 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 1 447 A D 0 0 75 0, 0.0 2,-0.3 0, 0.0 318,-0.1 0.000 360.0 360.0 360.0 119.1 49.4 -15.0 9.6 2 448 A D + 0 0 101 1,-0.1 0, 0.0 317,-0.1 0, 0.0 -0.956 360.0 172.9-141.2 126.0 50.1 -17.2 12.6 3 449 A W + 0 0 5 -2,-0.3 69,-1.5 2,-0.1 2,-0.3 0.283 34.2 132.0-113.8 8.0 48.5 -20.7 13.3 4 450 A E B -a 72 0A 76 67,-0.2 69,-0.2 1,-0.1 3,-0.0 -0.480 51.2-141.7 -63.8 123.5 50.5 -21.7 16.3 5 451 A I - 0 0 3 67,-3.3 69,-0.2 -2,-0.3 4,-0.1 -0.801 21.5-113.2 -89.1 122.2 48.0 -23.0 18.8 6 452 A P > - 0 0 69 0, 0.0 3,-0.5 0, 0.0 4,-0.3 -0.080 42.6 -92.9 -47.2 156.2 48.8 -22.0 22.4 7 453 A D T 3 S+ 0 0 99 1,-0.2 66,-0.0 2,-0.1 -3,-0.0 -0.291 102.6 27.9 -78.0 158.6 49.7 -24.9 24.7 8 454 A G T 3 S+ 0 0 83 2,-0.1 -1,-0.2 -3,-0.1 3,-0.1 0.837 93.6 97.4 60.0 35.4 47.2 -26.8 26.9 9 455 A Q < + 0 0 74 -3,-0.5 2,-0.5 -4,-0.1 -2,-0.1 0.635 62.2 77.6-112.6 -38.7 44.3 -26.1 24.6 10 456 A I - 0 0 33 -4,-0.3 2,-0.8 19,-0.1 19,-0.2 -0.629 67.2-155.5 -77.9 123.1 44.2 -29.3 22.6 11 457 A T E -B 28 0A 93 17,-2.0 17,-1.8 -2,-0.5 2,-0.3 -0.899 12.7-146.0 -99.7 107.5 42.6 -32.1 24.6 12 458 A V E +B 27 0A 65 -2,-0.8 15,-0.2 15,-0.2 3,-0.1 -0.556 28.2 165.9 -73.8 134.7 44.0 -35.4 23.2 13 459 A G E + 0 0 40 13,-2.1 14,-0.1 1,-0.4 -1,-0.1 0.128 41.1 6.9-117.9-126.8 41.5 -38.2 23.3 14 460 A Q E S- 0 0 111 11,-0.1 12,-2.4 1,-0.1 2,-0.4 -0.174 71.2-114.2 -66.0 152.3 41.2 -41.7 21.7 15 461 A R E +B 25 0A 148 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.755 33.2 175.2 -92.5 135.9 44.1 -43.2 19.7 16 462 A I E - 0 0 96 8,-2.4 2,-0.3 -2,-0.4 9,-0.2 0.713 56.2 -9.7-114.2 -30.9 43.5 -43.7 15.9 17 463 A G E -B 24 0A 26 7,-1.3 7,-2.2 133,-0.0 2,-0.4 -0.911 45.9-157.2-174.3 145.4 46.7 -44.9 14.3 18 464 A S E +B 23 0A 78 -2,-0.3 5,-0.2 5,-0.2 132,-0.2 -0.952 23.2 151.7-125.0 143.5 50.4 -45.4 14.8 19 465 A G - 0 0 27 3,-1.3 2,-0.2 -2,-0.4 4,-0.1 0.322 58.6-113.5-147.6 7.7 53.2 -45.7 12.2 20 466 A S S S+ 0 0 112 2,-0.6 3,-0.1 1,-0.1 19,-0.1 -0.062 107.4 81.3 80.6 -30.6 56.4 -44.5 14.0 21 467 A F S S- 0 0 71 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 -0.141 118.2 -36.4 -89.5 38.2 56.7 -41.4 11.7 22 468 A G - 0 0 5 2,-0.0 -3,-1.3 57,-0.0 -2,-0.6 -0.520 62.1-114.4 125.0 161.9 54.1 -39.7 14.0 23 469 A T E -BC 18 37A 12 14,-2.6 14,-4.0 -2,-0.2 2,-0.5 -0.998 21.1-150.2-133.2 138.6 51.0 -40.7 16.0 24 470 A V E +BC 17 36A 28 -7,-2.2 -8,-2.4 -2,-0.3 -7,-1.3 -0.941 18.1 171.6-117.7 126.8 47.4 -39.5 15.4 25 471 A Y E -BC 15 35A 57 10,-2.9 10,-2.6 -2,-0.5 2,-0.4 -0.710 35.3-109.4-118.6 170.1 44.6 -39.1 18.0 26 472 A K E + C 0 34A 34 -12,-2.4 -13,-2.1 -2,-0.2 2,-0.2 -0.898 48.6 175.8 -99.5 135.9 41.1 -37.6 18.1 27 473 A G E -BC 12 33A 3 6,-3.2 6,-2.4 -2,-0.4 2,-0.5 -0.761 34.0-113.9-138.1 174.7 40.9 -34.4 20.0 28 474 A K E +BC 11 32A 84 -17,-1.8 -17,-2.0 -2,-0.2 4,-0.2 -0.971 44.1 139.2-116.5 118.2 38.9 -31.4 21.2 29 475 A W S S- 0 0 17 2,-3.1 -19,-0.1 -2,-0.5 -2,-0.1 -0.680 91.4 -26.4-154.7 101.3 39.8 -27.9 20.0 30 476 A H S S- 0 0 25 -2,-0.2 2,-0.1 3,-0.0 348,-0.1 0.985 136.5 -30.5 51.3 64.6 36.8 -25.7 19.2 31 477 A G S S- 0 0 3 2,-0.0 -2,-3.1 343,-0.0 2,-0.1 -0.431 119.8 -14.5 85.1-167.6 34.8 -28.9 18.5 32 478 A D E +C 28 0A 55 -4,-0.2 52,-0.6 -2,-0.1 2,-0.3 -0.394 67.5 170.4 -71.7 141.5 36.3 -32.1 17.2 33 479 A V E -CD 27 83A 0 -6,-2.4 -6,-3.2 50,-0.2 2,-0.4 -0.963 32.5-123.3-142.3 159.9 39.8 -32.2 15.7 34 480 A A E -CD 26 82A 15 48,-2.4 48,-1.6 -2,-0.3 2,-0.5 -0.898 27.3-161.2 -99.9 137.5 42.5 -34.6 14.5 35 481 A V E -CD 25 81A 3 -10,-2.6 -10,-2.9 -2,-0.4 2,-0.6 -0.975 8.8-165.4-125.4 120.0 45.9 -34.3 16.2 36 482 A K E +CD 24 80A 43 44,-2.4 44,-2.4 -2,-0.5 -12,-0.3 -0.924 23.3 177.0-100.8 120.3 49.1 -35.8 14.7 37 483 A M E -CD 23 79A 29 -14,-4.0 -14,-2.6 -2,-0.6 2,-0.5 -0.684 32.6-123.1-118.2 170.9 51.9 -35.8 17.4 38 484 A L - 0 0 20 40,-1.2 40,-0.2 -16,-0.2 -17,-0.1 -0.975 19.3-152.3-115.1 115.3 55.5 -37.0 17.8 39 485 A N S S+ 0 0 82 -2,-0.5 -1,-0.2 -19,-0.1 -16,-0.0 0.941 71.2 79.6 -47.3 -66.2 55.9 -39.4 20.7 40 486 A V S S- 0 0 74 1,-0.1 4,-0.1 2,-0.1 -2,-0.1 -0.217 71.5-145.8 -57.4 130.2 59.6 -38.8 21.7 41 487 A T S S+ 0 0 110 1,-0.2 37,-0.2 36,-0.1 -1,-0.1 0.978 89.5 48.5 -64.2 -63.3 59.8 -35.7 23.9 42 488 A A S S- 0 0 74 35,-0.1 -1,-0.2 1,-0.0 -2,-0.1 -0.730 92.6-150.1 -79.3 106.0 63.2 -34.3 22.8 43 489 A P - 0 0 58 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.209 4.3-118.3 -81.4 168.5 62.9 -34.5 19.0 44 490 A T > - 0 0 57 1,-0.1 4,-1.8 -4,-0.1 5,-0.1 -0.405 24.7-111.8 -93.7 171.9 65.5 -35.0 16.2 45 491 A P H > S+ 0 0 97 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.929 117.9 49.4 -67.7 -45.9 66.5 -32.6 13.4 46 492 A Q H > S+ 0 0 150 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.854 112.7 49.6 -62.8 -36.8 65.0 -34.9 10.6 47 493 A Q H > S+ 0 0 56 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.949 111.3 47.5 -61.8 -51.5 61.8 -35.1 12.6 48 494 A L H X S+ 0 0 68 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.785 109.7 53.4 -67.0 -29.3 61.5 -31.3 13.2 49 495 A Q H X S+ 0 0 102 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.908 104.9 53.3 -70.7 -44.3 62.2 -30.6 9.5 50 496 A A H X S+ 0 0 54 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.836 107.3 53.7 -59.6 -35.9 59.4 -32.9 8.3 51 497 A F H X S+ 0 0 27 -4,-1.4 4,-3.0 2,-0.2 5,-0.3 0.968 108.9 46.7 -60.1 -56.4 57.0 -31.0 10.6 52 498 A K H X S+ 0 0 114 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.831 114.8 49.1 -55.4 -35.7 57.9 -27.6 9.1 53 499 A N H X S+ 0 0 91 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.883 112.3 45.9 -72.1 -41.5 57.6 -29.1 5.6 54 500 A E H X S+ 0 0 68 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.924 114.7 47.3 -68.3 -45.3 54.2 -30.7 6.3 55 501 A V H X S+ 0 0 8 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.832 110.0 55.7 -62.7 -33.8 52.9 -27.5 8.0 56 502 A G H < S+ 0 0 18 -4,-1.4 4,-0.4 -5,-0.3 -1,-0.2 0.861 111.7 41.7 -67.0 -38.6 54.3 -25.5 5.0 57 503 A V H >< S+ 0 0 65 -4,-1.7 3,-1.4 2,-0.2 4,-0.2 0.955 115.0 49.8 -72.7 -50.8 52.3 -27.6 2.5 58 504 A L H >< S+ 0 0 30 -4,-2.7 3,-2.5 1,-0.3 11,-0.3 0.909 103.4 58.5 -56.5 -46.6 49.1 -27.7 4.5 59 505 A R T 3< S+ 0 0 60 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.662 98.4 62.4 -63.7 -15.0 48.9 -23.9 5.2 60 506 A K T < S+ 0 0 111 -3,-1.4 2,-0.5 -4,-0.4 -1,-0.3 0.505 91.4 85.3 -82.2 -5.0 48.9 -23.3 1.4 61 507 A T < + 0 0 5 -3,-2.5 8,-0.4 -4,-0.2 2,-0.3 -0.878 36.8 156.7-113.4 123.0 45.6 -25.2 0.9 62 508 A R + 0 0 2 -2,-0.5 2,-0.3 267,-0.2 5,-0.1 -0.791 33.0 122.8-137.2 92.5 42.1 -23.8 1.3 63 509 A H > - 0 0 5 3,-0.3 3,-1.8 -2,-0.3 265,-0.0 -0.991 64.8-121.8-154.9 146.9 39.6 -26.0 -0.7 64 510 A V T 3 S+ 0 0 37 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.803 111.8 50.2 -62.7 -31.2 36.5 -27.9 0.2 65 511 A N T 3 S+ 0 0 3 79,-0.1 80,-3.2 2,-0.1 2,-0.4 0.246 98.2 79.0 -96.3 9.4 38.0 -31.2 -1.1 66 512 A I B < S-f 145 0B 12 -3,-1.8 -3,-0.3 78,-0.3 80,-0.2 -0.976 96.4 -95.8-117.2 137.3 41.3 -31.0 0.8 67 513 A L - 0 0 18 78,-2.7 2,-0.8 -2,-0.4 -6,-0.1 -0.225 47.2-116.9 -45.3 121.6 41.6 -31.9 4.5 68 514 A L - 0 0 13 -4,-0.1 15,-1.9 -6,-0.1 2,-0.2 -0.558 21.9-146.2 -75.6 106.5 41.3 -28.5 6.4 69 515 A F E + E 0 82A 0 -2,-0.8 13,-0.3 -8,-0.4 3,-0.1 -0.526 21.1 176.1 -65.0 134.0 44.5 -27.7 8.2 70 516 A M E - 0 0 1 11,-3.1 2,-0.3 1,-0.4 12,-0.2 0.698 49.5 -49.8-114.2 -35.0 43.6 -25.8 11.5 71 517 A G E - E 0 81A 0 10,-2.2 10,-3.6 -66,-0.0 -1,-0.4 -0.987 39.9-118.6 177.7 178.0 46.9 -25.3 13.3 72 518 A Y E -aE 4 80A 38 -69,-1.5 -67,-3.3 -2,-0.3 2,-0.3 -0.916 14.9-162.2-132.4 161.5 50.2 -26.5 14.7 73 519 A S E + E 0 79A 3 6,-2.7 6,-2.6 -2,-0.3 -69,-0.0 -0.992 21.0 157.8-143.2 144.3 51.8 -26.7 18.2 74 520 A T + 0 0 56 -2,-0.3 -1,-0.1 4,-0.2 4,-0.1 0.504 51.6 96.1-130.8 -21.1 55.4 -27.2 19.3 75 521 A K S S+ 0 0 61 1,-0.1 3,-0.1 2,-0.0 -68,-0.1 0.480 108.0 9.9 -73.7 -8.8 55.6 -25.8 22.8 76 522 A P S S- 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.401 142.2 -14.4-111.8 -70.2 55.2 -29.2 24.5 77 523 A Q S S- 0 0 57 -35,-0.1 2,-0.2 -34,-0.0 -36,-0.1 -0.865 81.9 -91.5-121.6 160.5 55.4 -31.7 21.7 78 524 A L + 0 0 18 -2,-0.3 -40,-1.2 -40,-0.2 2,-0.3 -0.551 56.6 165.5 -70.7 134.4 55.3 -31.2 17.9 79 525 A A E -DE 37 73A 4 -6,-2.6 -6,-2.7 -2,-0.2 2,-0.4 -0.983 28.8-152.7-157.6 139.4 51.7 -31.5 16.7 80 526 A I E -DE 36 72A 10 -44,-2.4 -44,-2.4 -2,-0.3 2,-0.5 -0.970 14.4-154.9-119.5 128.8 49.6 -30.8 13.7 81 527 A V E +DE 35 71A 0 -10,-3.6 -11,-3.1 -2,-0.4 -10,-2.2 -0.891 19.4 164.0-111.1 119.3 45.8 -30.1 13.9 82 528 A T E -DE 34 69A 16 -48,-1.6 -48,-2.4 -2,-0.5 -13,-0.2 -0.693 47.1 -75.4-116.1 176.2 43.4 -30.7 11.0 83 529 A Q E -D 33 0A 2 -15,-1.9 2,-0.6 -2,-0.2 -50,-0.2 -0.259 49.7-113.2 -61.6 159.7 39.6 -31.0 10.9 84 530 A W - 0 0 48 -52,-0.6 2,-0.3 -51,-0.1 -52,-0.1 -0.900 27.9-144.3-102.6 116.4 38.1 -34.3 12.1 85 531 A C - 0 0 14 -2,-0.6 2,-0.4 53,-0.1 52,-0.1 -0.615 5.8-152.0 -82.3 131.1 36.5 -36.4 9.4 86 532 A E + 0 0 81 -2,-0.3 53,-3.7 2,-0.1 54,-0.4 -0.849 63.2 28.0 -97.1 135.4 33.3 -38.4 10.1 87 533 A G E S-G 138 0B 41 -2,-0.4 2,-0.3 51,-0.2 51,-0.1 -0.963 94.0 -59.5 123.3-136.5 32.7 -41.5 8.0 88 534 A S E -G 137 0B 29 49,-0.7 49,-2.2 -2,-0.4 52,-0.1 -0.968 43.6 -99.1-148.0 161.1 35.3 -43.7 6.3 89 535 A S E > -G 136 0B 10 -2,-0.3 4,-1.9 47,-0.3 47,-0.3 -0.331 37.8-110.7 -74.6 163.3 38.0 -43.6 3.7 90 536 A L H > S+ 0 0 0 45,-2.8 4,-2.4 42,-1.0 5,-0.2 0.929 119.7 54.1 -59.9 -46.0 37.3 -44.7 0.1 91 537 A Y H >>S+ 0 0 78 41,-1.5 4,-2.9 44,-0.4 5,-0.6 0.913 108.6 48.5 -52.4 -49.7 39.6 -47.7 0.7 92 538 A H H >>S+ 0 0 62 1,-0.2 5,-2.3 40,-0.2 4,-1.0 0.862 111.7 49.2 -62.1 -39.9 37.6 -48.8 3.7 93 539 A H H <5S+ 0 0 8 -4,-1.9 6,-3.6 3,-0.2 -1,-0.2 0.907 120.4 35.2 -65.2 -42.8 34.3 -48.4 1.9 94 540 A L H <5S+ 0 0 9 -4,-2.4 -2,-0.2 4,-0.3 -3,-0.2 0.849 131.9 20.7 -83.0 -38.4 35.4 -50.4 -1.1 95 541 A H H <5S+ 0 0 35 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.638 125.7 37.8-114.2 -21.5 37.7 -53.1 0.3 96 542 A I T <> - 0 0 143 -2,-0.3 4,-1.8 1,-0.1 3,-0.8 -0.420 33.5-104.4 -73.3 160.0 25.3 -46.5 -7.1 103 549 A M H 3> S+ 0 0 15 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.813 118.8 57.1 -62.5 -36.3 27.0 -45.5 -10.3 104 550 A I H 3> S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.870 109.3 48.4 -60.5 -36.3 26.0 -41.8 -10.0 105 551 A K H <> S+ 0 0 51 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.897 108.4 51.6 -72.3 -43.7 27.7 -41.7 -6.6 106 552 A L H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.939 109.8 50.1 -59.5 -48.9 30.9 -43.3 -7.8 107 553 A I H X S+ 0 0 5 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.948 111.4 50.0 -50.0 -52.8 31.3 -40.8 -10.6 108 554 A D H X S+ 0 0 48 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.896 106.5 53.5 -56.0 -46.2 30.7 -38.0 -8.1 109 555 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.912 112.8 45.6 -54.9 -41.6 33.4 -39.4 -5.8 110 556 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.889 109.6 55.1 -68.1 -41.2 35.7 -39.4 -8.8 111 557 A R H X S+ 0 0 65 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.937 112.2 42.5 -56.0 -51.0 34.6 -35.9 -9.8 112 558 A Q H X S+ 0 0 15 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.905 111.0 55.1 -65.2 -43.5 35.4 -34.5 -6.4 113 559 A T H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.935 112.7 42.8 -56.6 -47.4 38.7 -36.4 -6.1 114 560 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.890 107.7 61.6 -64.7 -40.2 39.9 -34.8 -9.4 115 561 A Q H X S+ 0 0 6 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.878 109.0 42.2 -52.4 -42.9 38.5 -31.5 -8.3 116 562 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.890 111.5 52.8 -72.0 -42.1 40.9 -31.5 -5.3 117 563 A M H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.867 107.0 54.4 -64.2 -35.0 43.9 -32.8 -7.3 118 564 A D H X S+ 0 0 24 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.960 108.5 49.8 -56.8 -50.8 43.3 -30.0 -9.8 119 565 A Y H X S+ 0 0 0 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.894 111.1 47.6 -55.5 -46.4 43.5 -27.6 -6.8 120 566 A L H ><>S+ 0 0 11 -4,-2.5 5,-1.6 1,-0.2 3,-1.1 0.967 112.1 48.2 -63.9 -51.4 46.8 -29.0 -5.5 121 567 A H H ><5S+ 0 0 17 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.867 104.8 60.7 -55.7 -39.7 48.5 -29.0 -8.9 122 568 A A H 3<5S+ 0 0 56 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.846 107.8 45.3 -54.7 -35.6 47.3 -25.4 -9.4 123 569 A K T <<5S- 0 0 61 -4,-1.2 -1,-0.3 -3,-1.1 -2,-0.2 0.250 123.7-106.9 -93.4 14.1 49.4 -24.6 -6.3 124 570 A S T < 5S+ 0 0 102 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.926 72.5 143.5 58.5 48.0 52.3 -26.6 -7.5 125 571 A I < - 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0 0 75 -3,-0.4 6,-0.1 -4,-0.3 -3,-0.1 -0.174 55.2-137.3 -49.5 142.0 20.6 -11.2 30.3 502 698 B K S S+ 0 0 93 -78,-0.1 2,-0.5 -77,-0.1 -76,-0.3 0.853 87.9 71.3 -78.8 -35.7 20.3 -7.4 29.9 503 699 B K S > S- 0 0 108 1,-0.1 3,-0.7 -78,-0.1 4,-0.1 -0.732 78.6-147.6 -80.4 125.4 23.5 -6.5 31.8 504 700 B R G > S+ 0 0 99 -2,-0.5 3,-2.1 1,-0.2 -1,-0.1 0.864 91.9 58.8 -70.4 -37.7 26.3 -7.6 29.5 505 701 B D G 3 S+ 0 0 103 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.810 99.3 62.6 -60.7 -27.2 28.9 -8.5 32.2 506 702 B E G < S+ 0 0 95 -3,-0.7 -1,-0.3 2,-0.0 -2,-0.2 0.422 85.8 96.5 -76.6 0.2 26.3 -11.0 33.5 507 703 B R S < S- 0 0 8 -3,-2.1 -8,-0.2 -8,-0.1 2,-0.1 -0.726 76.7-119.3 -93.5 141.4 26.4 -13.0 30.2 508 704 B P - 0 0 28 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.360 22.8-123.6 -72.2 157.4 28.6 -16.1 29.8 509 705 B L > - 0 0 65 -2,-0.1 4,-1.8 1,-0.0 3,-0.2 -0.407 33.7 -96.6 -92.5 176.2 31.4 -16.3 27.2 510 706 B F H > S+ 0 0 0 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.856 117.0 62.4 -74.3 -36.5 31.5 -19.0 24.6 511 707 B P H > S+ 0 0 70 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.940 110.8 44.5 -47.2 -45.7 33.9 -21.5 26.3 512 708 B Q H > S+ 0 0 101 -3,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.938 114.0 48.8 -63.3 -49.6 31.2 -21.7 29.0 513 709 B I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.946 109.2 51.7 -56.3 -52.5 28.3 -22.0 26.5 514 710 B L H X S+ 0 0 9 -4,-3.5 4,-2.7 1,-0.2 5,-0.2 0.916 111.5 48.9 -53.9 -46.5 30.1 -24.7 24.5 515 711 B A H X S+ 0 0 54 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.970 108.7 53.0 -51.6 -57.1 30.6 -26.6 27.7 516 712 B S H X S+ 0 0 53 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.814 114.0 42.0 -54.1 -37.2 26.9 -26.2 28.7 517 713 B I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.944 111.7 53.0 -76.7 -50.5 25.7 -27.6 25.4 518 714 B E H < S+ 0 0 47 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.805 108.1 55.7 -50.9 -33.5 28.2 -30.4 25.2 519 715 B L H >< S+ 0 0 136 -4,-2.4 3,-0.5 -5,-0.2 -1,-0.2 0.986 112.0 38.0 -64.0 -58.9 27.0 -31.4 28.7 520 716 B L H 3< S+ 0 0 21 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.670 91.6 94.3 -70.8 -16.1 23.3 -31.7 27.8 521 717 B A T 3< S+ 0 0 53 -4,-2.1 2,-0.3 -5,-0.1 -1,-0.3 0.121 77.4 68.3 -67.5 21.7 24.3 -33.2 24.5 522 718 B R < 0 0 168 -3,-0.5 -1,-0.0 -2,-0.1 0, 0.0 -0.941 360.0 360.0-132.7 132.6 23.8 -36.6 26.2 523 719 B S 0 0 166 -2,-0.3 -3,-0.0 0, 0.0 0, 0.0 -0.452 360.0 360.0 60.0 360.0 20.2 -37.4 27.1