==== 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 01-DEC-10 3PSB . COMPND 2 MOLECULE: B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KIN . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.MORALES,G.P.A VIGERS,B.J.BRANDHUBER . 526 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 65.8 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 . 41 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.7 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 . 8 1.5 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 1 3 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 77 0, 0.0 386,-0.0 0, 0.0 320,-0.0 0.000 360.0 360.0 360.0 -61.1 59.3 6.5 -10.0 2 449 A D - 0 0 103 1,-0.1 322,-0.0 69,-0.0 0, 0.0 0.127 360.0-134.4 -49.9 152.2 61.5 3.4 -10.3 3 450 A W + 0 0 13 2,-0.1 69,-2.1 68,-0.1 2,-0.2 0.285 58.4 120.7-102.6 8.0 65.2 3.9 -10.8 4 451 A E B -a 72 0A 79 67,-0.2 69,-0.2 69,-0.0 0, 0.0 -0.503 49.9-146.7 -74.4 142.0 66.2 1.5 -13.6 5 452 A I - 0 0 2 67,-2.2 70,-0.3 -2,-0.2 69,-0.2 -0.957 19.9-120.5-111.3 122.9 67.8 3.0 -16.7 6 453 A P > - 0 0 67 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.278 41.4 -85.7 -62.9 144.9 67.0 1.2 -20.1 7 454 A D T 3 S+ 0 0 94 1,-0.2 66,-0.0 2,-0.1 0, 0.0 -0.165 112.5 31.5 -54.0 137.6 70.0 -0.1 -22.1 8 455 A G T 3 S+ 0 0 70 2,-0.2 -1,-0.2 -3,-0.1 3,-0.0 0.305 93.3 93.4 96.8 -7.7 71.6 2.5 -24.4 9 456 A Q < + 0 0 84 -3,-1.5 2,-0.8 1,-0.1 -2,-0.1 0.795 69.6 73.4 -84.2 -30.8 71.0 5.5 -22.2 10 457 A I - 0 0 32 -4,-0.3 2,-0.7 -5,-0.1 -2,-0.2 -0.771 67.0-158.3 -94.9 108.6 74.2 5.5 -20.3 11 458 A T E -B 28 0A 96 17,-1.8 17,-2.0 -2,-0.8 2,-0.5 -0.770 13.9-154.1 -83.5 113.1 77.2 6.7 -22.4 12 459 A V E +B 27 0A 57 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.801 25.9 156.0 -95.6 124.9 80.3 5.2 -20.7 13 460 A G E + 0 0 45 13,-1.6 14,-0.1 -2,-0.5 -1,-0.1 0.204 40.9 21.4-114.4-129.4 83.5 7.1 -21.2 14 461 A Q E - 0 0 142 11,-0.1 12,-2.0 1,-0.1 2,-0.5 -0.065 64.9-129.1 -44.1 134.6 86.9 7.6 -19.4 15 462 A R E +B 25 0A 133 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.818 30.8 173.8 -84.3 129.5 87.9 4.9 -16.9 16 463 A I E - 0 0 84 8,-2.3 2,-0.3 -2,-0.5 9,-0.2 0.543 46.8 -78.4-117.0 -11.3 88.9 6.6 -13.7 17 464 A G E -B 24 0A 18 7,-1.2 7,-3.0 2,-0.0 2,-0.3 -0.991 54.6 -51.8 148.6-155.2 89.6 3.9 -11.2 18 465 A S E +B 23 0A 89 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.906 31.8 178.2-127.2 148.8 87.9 1.3 -8.9 19 466 A G E > -B 22 0A 22 3,-2.4 3,-1.0 -2,-0.3 2,-0.1 -0.662 56.7 -49.6-125.1-171.3 85.3 1.2 -6.1 20 467 A S T 3 S- 0 0 17 1,-0.3 -1,-0.1 -2,-0.2 128,-0.1 -0.443 124.2 -5.8 -62.9 133.8 83.9 -1.6 -4.1 21 468 A F T 3 S+ 0 0 92 -2,-0.1 -1,-0.3 1,-0.1 2,-0.2 0.882 128.5 31.5 42.3 56.7 82.8 -4.4 -6.4 22 469 A G E < S-B 19 0A 17 -3,-1.0 -3,-2.4 16,-0.1 2,-0.4 -0.817 80.5 -81.6 155.4 171.1 83.4 -2.6 -9.7 23 470 A T E -BC 18 37A 21 14,-3.3 14,-3.3 -2,-0.2 2,-0.3 -0.843 38.3-135.9-103.3 137.4 85.2 -0.2 -12.0 24 471 A V E +BC 17 36A 31 -7,-3.0 -8,-2.3 -2,-0.4 -7,-1.2 -0.721 25.3 174.9 -96.1 141.3 84.4 3.6 -12.0 25 472 A Y E -BC 15 35A 39 10,-2.2 10,-3.4 -2,-0.3 2,-0.5 -0.960 33.9-117.6-137.4 154.7 84.0 5.7 -15.1 26 473 A K E + C 0 34A 68 -12,-2.0 -13,-1.6 -2,-0.3 8,-0.2 -0.850 49.4 168.2 -88.1 129.1 83.0 9.2 -16.0 27 474 A G E -BC 12 33A 4 6,-3.0 6,-2.7 -2,-0.5 2,-0.4 -0.734 34.2-115.1-132.6 179.9 79.8 9.1 -18.1 28 475 A K E +BC 11 32A 94 -17,-2.0 -17,-1.8 4,-0.2 4,-0.2 -0.988 40.2 142.0-121.9 134.2 76.9 11.0 -19.5 29 476 A W S S- 0 0 20 2,-2.9 -19,-0.1 -2,-0.4 -2,-0.1 -0.521 93.1 -25.0-166.4 95.2 73.3 10.7 -18.6 30 477 A H S S- 0 0 41 -2,-0.1 2,-0.2 297,-0.0 353,-0.1 0.974 138.2 -24.7 50.4 59.0 71.4 14.0 -18.5 31 478 A G S S- 0 0 13 2,-0.0 -2,-2.9 297,-0.0 2,-0.2 -0.475 115.4 -21.5 103.1-176.7 74.7 15.7 -17.9 32 479 A D E +C 28 0A 71 -4,-0.2 52,-0.8 -2,-0.2 2,-0.3 -0.458 68.4 169.9 -66.0 132.5 78.0 14.4 -16.4 33 480 A V E -CD 27 83A 0 -6,-2.7 -6,-3.0 50,-0.2 2,-0.4 -0.913 33.4-121.6-136.1 166.1 77.7 11.4 -14.1 34 481 A A E -CD 26 82A 15 48,-3.3 48,-2.4 -2,-0.3 2,-0.5 -0.943 27.1-161.2-108.1 135.2 79.9 8.8 -12.4 35 482 A V E -CD 25 81A 0 -10,-3.4 -10,-2.2 -2,-0.4 2,-0.6 -0.954 9.9-165.7-125.0 115.0 79.3 5.2 -13.3 36 483 A K E -CD 24 80A 25 44,-2.2 44,-2.4 -2,-0.5 2,-0.3 -0.890 23.3-176.8 -97.1 124.5 80.5 2.2 -11.2 37 484 A M E -CD 23 79A 16 -14,-3.3 -14,-3.3 -2,-0.6 42,-0.2 -0.924 36.3-148.5-130.8 142.8 80.3 -0.9 -13.3 38 485 A L - 0 0 23 40,-2.7 -1,-0.1 -2,-0.3 41,-0.1 0.853 23.0-168.6 -70.3 -39.1 80.9 -4.7 -12.9 39 486 A N + 0 0 71 39,-0.4 2,-0.4 1,-0.2 -1,-0.0 0.687 36.7 138.0 46.0 27.5 82.0 -5.2 -16.5 40 487 A V - 0 0 52 1,-0.1 38,-0.2 38,-0.1 -1,-0.2 -0.819 61.3-130.0 -95.4 137.6 81.8 -9.0 -16.0 41 488 A T S S+ 0 0 154 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.895 95.2 8.0 -52.0 -47.7 80.3 -11.0 -18.8 42 489 A A S S- 0 0 68 -3,-0.0 -1,-0.2 35,-0.0 2,-0.2 -0.981 83.0-127.4-140.5 128.9 77.9 -12.8 -16.4 43 490 A P - 0 0 57 0, 0.0 -2,-0.0 0, 0.0 -5,-0.0 -0.505 16.8-127.8 -79.6 139.6 77.4 -11.9 -12.7 44 491 A T > - 0 0 66 -2,-0.2 4,-3.8 1,-0.1 5,-0.2 -0.459 24.9-117.7 -70.9 150.9 77.6 -14.4 -9.8 45 492 A P H > S+ 0 0 104 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.831 122.0 60.2 -57.0 -30.6 74.7 -14.6 -7.3 46 493 A Q H > S+ 0 0 121 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.927 112.3 34.6 -55.2 -50.4 77.4 -13.5 -5.0 47 494 A Q H > S+ 0 0 54 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.908 113.7 58.8 -74.7 -43.5 78.0 -10.3 -7.1 48 495 A L H X S+ 0 0 74 -4,-3.8 4,-2.0 1,-0.2 -1,-0.2 0.836 107.3 49.9 -50.7 -38.0 74.3 -10.0 -7.9 49 496 A Q H X S+ 0 0 120 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.928 107.6 49.0 -72.4 -48.0 73.5 -9.8 -4.2 50 497 A A H X S+ 0 0 15 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.774 112.7 51.8 -63.8 -27.8 76.1 -7.1 -3.3 51 498 A F H X S+ 0 0 11 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.949 111.1 44.1 -70.6 -54.1 74.8 -5.0 -6.2 52 499 A K H X S+ 0 0 98 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.820 113.5 54.6 -61.0 -33.4 71.1 -5.3 -5.1 53 500 A N H X S+ 0 0 56 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.961 108.6 45.6 -61.4 -55.3 72.2 -4.6 -1.5 54 501 A E H X S+ 0 0 9 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.892 112.5 50.1 -59.6 -46.1 74.0 -1.3 -2.4 55 502 A V H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.934 108.3 53.9 -56.9 -49.3 71.2 0.0 -4.5 56 503 A G H < S+ 0 0 26 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.832 113.2 44.1 -52.4 -37.3 68.8 -0.8 -1.7 57 504 A V H >< S+ 0 0 3 -4,-1.6 3,-1.9 -3,-0.2 4,-0.2 0.955 111.6 50.1 -73.8 -55.2 71.0 1.3 0.6 58 505 A L H >< S+ 0 0 7 -4,-2.9 3,-2.2 1,-0.3 11,-0.3 0.846 101.6 62.8 -52.4 -42.1 71.6 4.3 -1.7 59 506 A R T 3< S+ 0 0 62 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.467 97.4 58.9 -69.3 -0.9 67.9 4.7 -2.5 60 507 A K T < S+ 0 0 45 -3,-1.9 2,-0.5 -5,-0.1 -1,-0.3 0.455 93.5 85.2-100.5 -5.3 67.3 5.5 1.2 61 508 A T < + 0 0 4 -3,-2.2 8,-0.3 -4,-0.2 2,-0.2 -0.846 39.2 156.8-104.3 130.4 69.7 8.4 1.1 62 509 A R + 0 0 1 -2,-0.5 2,-0.3 272,-0.1 3,-0.1 -0.733 31.5 127.2-146.7 92.0 68.8 12.0 -0.0 63 510 A H > - 0 0 6 3,-0.5 3,-1.3 -2,-0.2 5,-0.1 -0.996 64.5-121.5-154.0 145.1 71.2 14.5 1.4 64 511 A V T 3 S+ 0 0 32 -2,-0.3 4,-0.2 1,-0.3 -1,-0.2 0.934 116.2 42.2 -42.9 -57.5 73.5 17.3 0.4 65 512 A N T 3 S+ 0 0 6 79,-0.1 80,-3.7 47,-0.1 2,-0.6 0.440 99.0 83.0 -81.8 -1.1 76.5 15.6 1.9 66 513 A I B < S-f 145 0B 3 -3,-1.3 -3,-0.5 78,-0.3 80,-0.2 -0.921 95.6-103.9-105.4 121.9 75.7 12.1 0.6 67 514 A L - 0 0 21 78,-2.3 2,-0.2 -2,-0.6 -2,-0.1 -0.165 47.5-108.7 -46.5 112.8 76.8 11.4 -3.0 68 515 A L - 0 0 14 -4,-0.2 15,-1.8 1,-0.1 2,-0.3 -0.264 24.3-143.1 -56.8 112.5 73.5 11.6 -4.9 69 516 A F E + E 0 82A 0 -8,-0.3 13,-0.2 -11,-0.3 3,-0.1 -0.628 24.7 173.4 -70.1 129.7 72.3 8.3 -6.2 70 517 A M E - 0 0 2 11,-2.8 2,-0.3 1,-0.4 12,-0.2 0.728 50.4 -47.6-113.1 -35.1 70.7 8.9 -9.6 71 518 A G E - E 0 81A 0 10,-1.8 10,-3.5 -66,-0.0 -1,-0.4 -0.950 44.2-123.5 173.4 170.0 69.9 5.4 -11.1 72 519 A Y E -aE 4 80A 10 -69,-2.1 -67,-2.2 -2,-0.3 2,-0.4 -0.892 10.6-155.1-132.2 164.5 71.0 1.9 -11.8 73 520 A S E + E 0 79A 4 6,-2.7 6,-2.4 -2,-0.3 -69,-0.0 -0.992 21.1 168.2-142.9 133.0 71.3 -0.5 -14.7 74 521 A T + 0 0 60 -2,-0.4 4,-0.2 4,-0.2 -1,-0.1 0.315 65.2 88.9-111.8 2.2 71.3 -4.3 -15.0 75 522 A K S S+ 0 0 110 -70,-0.3 3,-0.1 2,-0.2 -2,-0.0 0.972 101.0 9.9 -84.1 -64.1 71.0 -4.3 -18.8 76 523 A P S S- 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.940 142.7 -25.9 -74.7 -46.8 74.3 -4.2 -20.6 77 524 A Q S S- 0 0 62 -38,-0.0 2,-0.4 -35,-0.0 -2,-0.2 -0.916 83.5 -76.3-149.0 169.2 76.2 -4.8 -17.3 78 525 A L + 0 0 12 -2,-0.3 -40,-2.7 -38,-0.2 -39,-0.4 -0.630 65.4 159.2 -72.4 127.6 75.5 -4.2 -13.6 79 526 A A E -DE 37 73A 2 -6,-2.4 -6,-2.7 -2,-0.4 2,-0.5 -0.993 35.6-147.9-157.5 143.8 76.1 -0.5 -12.9 80 527 A I E -DE 36 72A 8 -44,-2.4 -44,-2.2 -2,-0.3 2,-0.5 -0.968 16.4-153.5-117.7 126.9 75.3 2.4 -10.5 81 528 A V E +DE 35 71A 0 -10,-3.5 -11,-2.8 -2,-0.5 -10,-1.8 -0.866 21.0 164.5-104.9 127.6 74.9 6.0 -11.7 82 529 A T E -DE 34 69A 16 -48,-2.4 -48,-3.3 -2,-0.5 -13,-0.2 -0.902 42.9 -77.9-132.3 162.8 75.6 9.0 -9.4 83 530 A Q E -D 33 0A 9 -15,-1.8 2,-0.3 -2,-0.3 -50,-0.2 -0.099 51.8-107.9 -53.1 157.4 76.2 12.7 -9.8 84 531 A W - 0 0 42 -52,-0.8 2,-0.6 -51,-0.1 -1,-0.1 -0.726 20.8-155.1 -95.4 140.7 79.7 13.9 -10.9 85 532 A C - 0 0 19 -2,-0.3 2,-0.5 53,-0.1 52,-0.1 -0.887 6.5-156.4-116.4 99.4 82.2 15.6 -8.6 86 533 A E S S+ 0 0 97 -2,-0.6 53,-1.6 2,-0.0 54,-0.4 -0.645 72.1 46.0 -75.2 122.3 84.6 17.8 -10.5 87 534 A G S S- 0 0 20 -2,-0.5 50,-0.2 52,-0.2 52,-0.1 0.066 97.3 -85.2 105.3 137.0 87.6 18.1 -8.2 88 535 A S - 0 0 46 1,-0.2 49,-1.3 48,-0.1 52,-0.1 0.149 43.0 -77.8 -80.5 179.8 89.1 15.0 -6.5 89 536 A S B > -G 136 0B 16 47,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.305 43.8-109.3 -68.6 157.1 88.6 12.9 -3.4 90 537 A L H > S+ 0 0 1 45,-3.5 4,-2.2 42,-0.6 43,-0.2 0.805 119.3 55.5 -60.2 -33.6 89.9 14.1 0.0 91 538 A Y H > S+ 0 0 65 41,-1.5 4,-3.0 44,-0.3 5,-0.4 0.897 108.7 47.7 -62.5 -44.2 92.6 11.4 -0.0 92 539 A H H >>S+ 0 0 62 -3,-0.3 5,-2.5 40,-0.3 4,-1.6 0.918 111.4 50.4 -64.6 -45.8 93.8 12.7 -3.3 93 540 A H H <5S+ 0 0 6 -4,-2.4 6,-3.2 3,-0.2 -2,-0.2 0.916 120.2 35.9 -56.7 -45.3 93.8 16.3 -2.1 94 541 A L H <5S+ 0 0 14 -4,-2.2 -2,-0.2 4,-0.2 -3,-0.2 0.927 131.2 20.1 -79.4 -48.8 95.8 15.4 1.1 95 542 A H H <5S+ 0 0 38 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.419 128.1 35.3-111.8 0.4 98.2 12.7 0.1 96 543 A I T <5S+ 0 0 95 -4,-1.6 -3,-0.2 -5,-0.4 -4,-0.1 0.726 131.0 17.8-118.0 -61.0 98.6 12.9 -3.7 97 544 A I S > - 0 0 150 -2,-0.2 4,-2.3 1,-0.1 3,-0.5 -0.466 27.3-114.9 -74.3 153.9 93.4 26.6 5.3 103 550 A M H 3> S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.888 114.1 56.2 -59.5 -43.8 92.3 25.6 8.9 104 551 A I H 3> S+ 0 0 98 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.825 111.8 45.2 -58.3 -34.5 88.8 27.2 8.6 105 552 A K H <> S+ 0 0 63 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.901 107.8 56.6 -75.6 -44.4 88.2 25.1 5.5 106 553 A L H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.875 107.5 49.0 -54.7 -42.2 89.5 21.9 7.1 107 554 A I H X S+ 0 0 5 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.856 109.4 52.4 -67.3 -35.7 87.1 22.2 9.9 108 555 A D H X S+ 0 0 55 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.865 107.4 51.2 -69.5 -37.8 84.2 22.8 7.4 109 556 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.911 113.1 46.6 -59.5 -44.9 85.2 19.6 5.5 110 557 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.765 109.9 54.5 -66.9 -27.8 85.1 17.9 8.9 111 558 A R H X S+ 0 0 54 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.820 110.9 44.2 -76.8 -32.5 81.7 19.5 9.7 112 559 A Q H X S+ 0 0 15 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.871 111.0 52.5 -78.8 -40.0 80.1 18.2 6.5 113 560 A T H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.913 112.8 46.2 -61.4 -43.6 81.5 14.7 6.8 114 561 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.931 110.3 54.9 -58.6 -47.7 80.1 14.6 10.3 115 562 A Q H X S+ 0 0 3 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.873 108.9 47.1 -54.2 -45.7 76.8 16.1 8.9 116 563 A G H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.894 112.0 48.6 -65.1 -44.8 76.5 13.3 6.4 117 564 A M H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.918 105.9 56.9 -64.4 -45.7 77.2 10.4 8.8 118 565 A D H X S+ 0 0 20 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.928 108.7 49.4 -47.0 -50.0 74.7 11.8 11.3 119 566 A Y H X S+ 0 0 1 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.927 111.9 46.7 -54.8 -51.1 72.2 11.5 8.5 120 567 A L H <>S+ 0 0 0 -4,-2.0 5,-2.8 1,-0.2 3,-0.3 0.889 114.0 46.9 -62.4 -42.3 73.2 7.9 7.7 121 568 A H H ><5S+ 0 0 18 -4,-3.2 3,-1.3 3,-0.3 -1,-0.2 0.806 105.9 59.2 -71.8 -30.7 73.2 6.8 11.3 122 569 A A H 3<5S+ 0 0 57 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.796 110.3 44.0 -63.3 -28.8 69.8 8.5 11.8 123 570 A K T 3<5S- 0 0 57 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.230 121.9-110.5-100.1 13.1 68.6 6.2 9.0 124 571 A S T < 5 + 0 0 65 -3,-1.3 2,-0.6 1,-0.2 -3,-0.3 0.876 68.2 146.7 60.3 42.2 70.4 3.1 10.5 125 572 A I < - 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0 0 76 -3,-0.5 6,-0.1 -4,-0.2 5,-0.1 -0.236 52.3-138.3 -50.7 132.9 57.1 30.7 -31.1 505 699 B K S S+ 0 0 104 -78,-0.1 2,-0.6 -77,-0.1 -76,-0.3 0.909 91.2 68.3 -65.1 -44.7 53.4 31.4 -30.7 506 700 B K S > S- 0 0 149 1,-0.1 3,-1.6 -78,-0.1 4,-0.2 -0.692 80.5-147.6 -76.3 120.0 52.3 28.1 -32.3 507 701 B R G > S+ 0 0 85 -2,-0.6 3,-1.3 1,-0.3 -1,-0.1 0.765 91.0 64.2 -63.8 -27.9 53.4 25.4 -29.8 508 702 B D G 3 S+ 0 0 135 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.490 95.2 60.9 -77.7 -2.6 54.2 22.8 -32.5 509 703 B E G < S+ 0 0 97 -3,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.451 84.2 100.1 -99.0 -4.6 57.0 25.0 -33.9 510 704 B R S < S- 0 0 11 -3,-1.3 -8,-0.2 -4,-0.2 2,-0.1 -0.603 74.8-118.7 -84.0 143.1 59.0 24.9 -30.6 511 705 B P - 0 0 7 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.444 24.9-119.8 -75.8 152.1 61.9 22.6 -30.1 512 706 B L >> - 0 0 75 -2,-0.1 4,-1.9 1,-0.1 3,-1.3 -0.642 31.3-102.5 -91.4 154.5 61.9 20.0 -27.4 513 707 B F H 3> S+ 0 0 0 1,-0.3 4,-4.4 2,-0.2 5,-0.3 0.772 117.3 60.9 -51.5 -40.1 64.6 20.0 -24.6 514 708 B P H 3> S+ 0 0 81 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.927 115.0 37.1 -52.1 -43.9 66.8 17.2 -26.0 515 709 B Q H <> S+ 0 0 117 -3,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.796 117.9 52.5 -74.1 -31.4 67.3 19.4 -29.1 516 710 B I H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 5,-0.2 0.915 108.4 49.6 -69.4 -44.9 67.4 22.5 -26.9 517 711 B L H X S+ 0 0 13 -4,-4.4 4,-2.4 1,-0.2 3,-0.4 0.948 110.6 49.2 -58.4 -51.8 70.1 21.2 -24.7 518 712 B A H X S+ 0 0 53 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.838 108.3 55.7 -57.3 -36.5 72.3 20.1 -27.6 519 713 B S H X S+ 0 0 41 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.857 109.6 43.6 -68.8 -38.7 71.9 23.6 -29.1 520 714 B I H X S+ 0 0 0 -4,-1.7 4,-0.8 -3,-0.4 -2,-0.2 0.907 111.2 55.7 -70.8 -41.6 73.1 25.4 -26.1 521 715 B E H X S+ 0 0 46 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.801 105.3 52.8 -61.7 -32.3 76.0 23.0 -25.6 522 716 B L H X S+ 0 0 113 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.907 111.2 44.6 -68.6 -43.7 77.2 23.6 -29.2 523 717 B L H < S+ 0 0 9 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.534 108.4 63.0 -79.0 -5.6 77.3 27.4 -28.6 524 718 B A H >< S+ 0 0 30 -4,-0.8 3,-1.0 2,-0.1 -2,-0.2 0.923 103.7 42.4 -80.4 -50.2 79.0 26.8 -25.3 525 719 B R H 3< S+ 0 0 181 -4,-1.4 4,-0.4 1,-0.3 -2,-0.2 0.896 113.6 49.8 -67.4 -44.8 82.2 25.1 -26.5 526 720 B S T 3< S+ 0 0 92 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.059 100.3 76.0 -84.4 27.5 82.9 27.4 -29.4 527 721 B L S < S+ 0 0 56 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.890 87.7 42.6-102.1 -63.0 82.5 30.5 -27.2 528 722 B P 0 0 97 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.611 360.0 360.0 -69.8 -9.8 85.5 31.1 -24.9 529 723 B K 0 0 227 -4,-0.4 -3,-0.1 0, 0.0 -2,-0.1 0.834 360.0 360.0 -77.0 360.0 87.8 30.3 -27.9