==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 15-JUL-11 3SXR . COMPND 2 MOLECULE: CYTOPLASMIC TYROSINE-PROTEIN KINASE BMX; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.SACK,J.MUCKELBAUER . 518 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 . 29 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 29.7 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 1 0 1 0 3 2 2 0 1 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 6 2 1 5 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 . 4 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 1 408 A G 0 0 65 0, 0.0 2,-0.2 0, 0.0 416,-0.1 0.000 360.0 360.0 360.0 171.1 6.4 10.7 2.3 2 409 A H + 0 0 168 414,-0.1 3,-0.1 1,-0.1 415,-0.1 -0.599 360.0 85.2-145.2 86.5 6.7 7.5 4.4 3 410 A M + 0 0 21 -2,-0.2 65,-2.8 1,-0.1 2,-0.4 0.383 67.6 91.4-142.0 -29.2 5.8 7.5 8.2 4 411 A E B -a 68 0A 45 63,-0.2 2,-0.3 65,-0.1 65,-0.2 -0.622 57.1-164.3 -83.9 126.5 2.0 6.8 8.1 5 412 A L - 0 0 23 63,-2.8 2,-0.8 -2,-0.4 65,-0.2 -0.750 30.8-101.4-107.6 158.4 0.8 3.2 8.2 6 413 A K > - 0 0 124 -2,-0.3 3,-1.7 1,-0.2 4,-0.1 -0.729 28.4-152.7 -82.6 108.3 -2.6 1.7 7.4 7 414 A R G > S+ 0 0 41 -2,-0.8 3,-1.5 1,-0.3 -1,-0.2 0.782 92.0 61.0 -51.7 -36.8 -4.2 1.1 10.8 8 415 A E G 3 S+ 0 0 154 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.667 94.8 64.1 -66.3 -21.5 -6.4 -1.8 9.4 9 416 A E G < S+ 0 0 54 -3,-1.7 18,-2.9 18,-0.1 2,-0.5 0.394 91.0 80.8 -84.0 1.8 -3.2 -3.7 8.5 10 417 A I E < -B 26 0A 12 -3,-1.5 2,-0.5 16,-0.2 16,-0.2 -0.945 61.8-166.7-114.4 117.3 -2.2 -3.9 12.3 11 418 A T E -B 25 0A 81 14,-3.1 14,-2.2 -2,-0.5 2,-0.4 -0.902 17.3-139.3-101.7 124.9 -3.9 -6.6 14.5 12 419 A L E +B 24 0A 59 -2,-0.5 12,-0.3 12,-0.2 3,-0.1 -0.699 27.9 169.7 -86.1 128.4 -3.4 -5.9 18.2 13 420 A L E - 0 0 96 10,-3.6 2,-0.3 -2,-0.4 11,-0.2 0.872 50.8 -12.5-106.3 -55.4 -2.6 -9.1 20.1 14 421 A K E -B 23 0A 131 9,-0.9 9,-3.8 0, 0.0 -1,-0.3 -0.989 63.9 -99.7-154.8 149.3 -1.5 -8.6 23.8 15 422 A E E +B 22 0A 105 -2,-0.3 7,-0.3 7,-0.3 3,-0.1 -0.460 32.0 179.4 -67.4 132.4 -0.3 -6.0 26.2 16 423 A L E - 0 0 74 5,-3.4 2,-0.3 1,-0.4 6,-0.2 0.785 62.1 -22.9-100.8 -47.4 3.5 -6.0 26.6 17 424 A G E B 21 0A 31 4,-1.4 4,-2.7 0, 0.0 -1,-0.4 -0.900 360.0 360.0-154.6 178.9 4.0 -3.2 29.1 18 425 A S 0 0 129 2,-0.3 4,-0.0 -2,-0.3 -3,-0.0 -0.996 360.0 360.0-134.4 360.0 2.4 0.1 30.5 19 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 20 430 A V 0 0 74 0, 0.0 16,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 119.4 0.6 1.0 27.2 21 431 A V E -BC 17 35A 43 -4,-2.7 -5,-3.4 14,-0.2 -4,-1.4 -0.941 360.0-165.8-115.4 134.8 2.7 -1.0 24.6 22 432 A K E -BC 15 34A 74 12,-2.5 12,-2.8 -2,-0.4 2,-0.3 -0.924 20.5-122.1-123.1 151.4 1.0 -3.9 22.7 23 433 A L E +BC 14 33A 22 -9,-3.8 -10,-3.6 -2,-0.3 -9,-0.9 -0.697 42.7 171.4 -85.6 141.4 2.2 -6.8 20.6 24 434 A G E -BC 12 32A 0 8,-2.7 8,-2.7 -2,-0.3 2,-0.4 -0.927 34.9-123.9-146.7 169.6 0.8 -6.8 17.1 25 435 A K E -BC 11 31A 65 -14,-2.2 -14,-3.1 -2,-0.3 2,-0.5 -0.986 22.0-157.1-117.4 129.0 0.9 -8.4 13.6 26 436 A W E >> S-BC 10 30A 42 4,-2.8 4,-2.7 -2,-0.4 3,-1.5 -0.956 76.9 -14.9-111.4 119.1 1.4 -6.1 10.7 27 437 A K T 34 S- 0 0 88 -18,-2.9 -1,-0.2 -2,-0.5 -17,-0.1 0.694 114.0 -76.2 62.0 25.3 0.1 -7.4 7.3 28 438 A G T 34 S+ 0 0 65 -19,-0.4 -1,-0.3 2,-0.2 3,-0.1 0.502 131.2 65.8 65.5 9.9 -0.2 -10.9 8.7 29 439 A Q T <4 S+ 0 0 122 -3,-1.5 2,-0.4 1,-0.2 -2,-0.2 0.663 82.3 67.7-125.5 -40.5 3.6 -11.3 8.5 30 440 A Y E < -C 26 0A 109 -4,-2.7 -4,-2.8 50,-0.0 2,-0.4 -0.848 64.4-137.7-105.2 132.8 5.4 -8.9 10.8 31 441 A D E +C 25 0A 75 -2,-0.4 50,-1.0 -6,-0.2 2,-0.3 -0.661 34.8 179.1 -78.0 130.3 5.6 -8.9 14.6 32 442 A V E -CD 24 80A 0 -8,-2.7 -8,-2.7 -2,-0.4 2,-0.4 -0.938 30.0-137.3-132.3 157.8 5.3 -5.3 15.8 33 443 A A E -CD 23 79A 11 46,-2.2 46,-2.4 -2,-0.3 2,-0.4 -0.928 24.1-160.2-110.6 137.2 5.3 -3.5 19.1 34 444 A V E -CD 22 78A 0 -12,-2.8 -12,-2.5 -2,-0.4 2,-0.5 -0.969 5.1-155.0-127.7 113.0 2.6 -0.7 19.2 35 445 A K E -CD 21 77A 83 42,-2.8 42,-1.4 -2,-0.4 2,-0.5 -0.771 15.5-139.8 -89.3 127.5 2.8 2.2 21.7 36 446 A M E - D 0 76A 29 -16,-2.8 2,-0.6 -2,-0.5 40,-0.2 -0.809 12.9-164.7 -90.5 121.9 -0.6 3.8 22.5 37 447 A I E - D 0 75A 9 38,-2.8 38,-2.8 -2,-0.5 2,-0.2 -0.946 11.7-154.5-106.2 110.2 -0.6 7.6 22.8 38 448 A K >> - 0 0 114 -2,-0.6 3,-2.0 36,-0.2 4,-0.5 -0.574 33.9 -85.9 -83.8 154.0 -3.8 8.8 24.5 39 449 A E B 34 S+f 42 0B 145 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 -0.395 117.3 16.3 -61.1 120.6 -5.2 12.4 23.9 40 450 A G T 34 S+ 0 0 70 2,-0.6 -1,-0.3 -2,-0.2 3,-0.1 0.119 93.8 103.1 100.6 -18.4 -3.5 14.7 26.3 41 451 A S T <4 S- 0 0 81 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.858 101.7 -9.3 -63.1 -34.2 -0.6 12.3 27.3 42 452 A M B < S-f 39 0B 34 -4,-0.5 -2,-0.6 261,-0.0 -1,-0.2 -0.953 85.5 -90.0-155.0 160.2 1.7 14.5 25.0 43 453 A S > - 0 0 38 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.447 30.0-127.6 -72.7 149.3 1.2 17.3 22.4 44 454 A E H > S+ 0 0 59 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.866 112.4 54.5 -64.9 -34.8 0.7 16.2 18.8 45 455 A D H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 110.1 46.0 -62.8 -45.8 3.6 18.6 17.8 46 456 A E H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.908 112.1 51.5 -63.7 -44.4 5.9 16.8 20.3 47 457 A F H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.910 110.4 48.2 -56.0 -51.0 4.7 13.4 19.1 48 458 A F H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.889 114.2 45.9 -58.3 -45.9 5.4 14.3 15.4 49 459 A Q H X S+ 0 0 55 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.903 113.8 49.1 -64.8 -44.5 9.0 15.6 16.2 50 460 A E H X S+ 0 0 34 -4,-2.6 4,-2.2 2,-0.2 96,-0.2 0.903 112.4 47.5 -63.6 -39.7 9.8 12.6 18.4 51 461 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.907 111.9 50.2 -67.5 -44.6 8.6 10.2 15.6 52 462 A Q H X S+ 0 0 28 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.876 112.6 47.5 -61.9 -41.3 10.6 12.0 12.9 53 463 A T H X S+ 0 0 24 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.925 111.7 48.8 -66.4 -48.0 13.8 11.9 15.1 54 464 A M H < S+ 0 0 4 -4,-2.2 11,-0.3 2,-0.2 -2,-0.2 0.894 111.9 50.5 -58.8 -43.1 13.4 8.2 15.9 55 465 A M H < S+ 0 0 62 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.911 112.2 47.4 -57.6 -49.4 12.9 7.5 12.2 56 466 A K H < S+ 0 0 121 -4,-2.0 2,-1.5 1,-0.2 -2,-0.2 0.820 102.2 64.0 -62.8 -40.5 16.1 9.5 11.3 57 467 A L S < S+ 0 0 0 -4,-2.2 2,-0.5 -5,-0.1 -1,-0.2 -0.497 73.6 157.3 -87.5 60.0 18.2 7.8 14.0 58 468 A S + 0 0 43 -2,-1.5 6,-0.1 -3,-0.2 5,-0.1 -0.801 5.7 142.9 -91.8 125.5 17.9 4.4 12.3 59 469 A H > - 0 0 44 -2,-0.5 3,-2.1 3,-0.3 54,-0.1 -0.958 60.3-110.4-159.9 144.6 20.8 1.9 13.2 60 470 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.709 119.2 49.3 -54.7 -23.1 20.9 -1.9 13.9 61 471 A K T 3 S+ 0 0 34 80,-0.1 81,-2.5 2,-0.1 2,-0.3 0.285 102.2 74.7-101.1 8.7 21.6 -1.2 17.6 62 472 A L B < S-g 142 0C 1 -3,-2.1 -3,-0.3 79,-0.3 81,-0.2 -0.900 101.1 -89.0-116.0 147.8 18.7 1.2 18.0 63 473 A V - 0 0 6 79,-2.4 2,-0.6 -2,-0.3 81,-0.2 -0.399 47.8-120.2 -58.2 122.7 15.0 0.2 18.2 64 474 A K - 0 0 86 -2,-0.1 16,-2.1 -4,-0.1 2,-0.4 -0.606 20.9-147.0 -73.9 111.5 13.7 0.2 14.5 65 475 A F E + E 0 79A 7 -2,-0.6 14,-0.3 -11,-0.3 3,-0.1 -0.646 18.0 179.8 -76.2 129.1 10.8 2.6 14.0 66 476 A Y E - 0 0 76 12,-3.0 2,-0.3 1,-0.4 13,-0.2 0.832 49.6 -81.9 -97.8 -46.5 8.3 1.3 11.4 67 477 A G E - E 0 78A 0 11,-1.8 11,-3.7 -62,-0.0 -1,-0.4 -0.984 38.0 -89.5 168.0-168.7 5.7 4.1 11.4 68 478 A V E -aE 4 77A 0 -65,-2.8 -63,-2.8 -2,-0.3 2,-0.4 -0.862 7.7-147.1-130.5 162.9 2.7 5.8 13.1 69 479 A C E + E 0 76A 2 7,-1.9 7,-2.7 -2,-0.3 3,-0.1 -0.939 36.7 153.2-131.6 98.0 -1.1 5.7 12.9 70 480 A S + 0 0 15 -2,-0.4 5,-0.1 5,-0.2 -1,-0.1 0.226 39.7 96.4-116.6 9.1 -2.1 9.3 13.7 71 481 A K S S+ 0 0 145 1,-0.1 2,-0.3 349,-0.1 -1,-0.1 0.594 99.1 3.7 -78.0 -12.8 -5.5 9.7 11.9 72 482 A E S S- 0 0 117 2,-0.2 -1,-0.1 -3,-0.1 -3,-0.1 -0.967 95.2 -51.8-163.9 162.7 -7.4 8.9 15.2 73 483 A Y S S+ 0 0 52 -2,-0.3 2,-0.2 2,-0.1 -35,-0.1 -0.628 105.8 48.5 -90.1 148.0 -6.9 8.2 18.9 74 484 A P S S- 0 0 40 0, 0.0 2,-0.3 0, 0.0 -36,-0.2 0.583 88.9-142.2 -66.9 145.6 -5.2 6.3 20.4 75 485 A I E -D 37 0A 2 -38,-2.8 -38,-2.8 -2,-0.2 2,-0.4 -0.653 14.0-138.7 -78.2 138.6 -2.3 7.3 18.3 76 486 A Y E -DE 36 69A 22 -7,-2.7 -7,-1.9 -2,-0.3 2,-0.5 -0.849 16.9-168.7-100.2 139.0 0.0 4.4 17.4 77 487 A I E -DE 35 68A 6 -42,-1.4 -42,-2.8 -2,-0.4 2,-0.5 -1.000 22.3-158.2-118.7 118.8 3.9 4.4 17.3 78 488 A V E +DE 34 67A 0 -11,-3.7 -12,-3.0 -2,-0.5 -11,-1.8 -0.907 19.7 160.5-109.2 130.6 4.9 1.2 15.6 79 489 A T E -DE 33 65A 21 -46,-2.4 -46,-2.2 -2,-0.5 -14,-0.2 -0.818 46.8 -73.9-131.2 177.3 8.3 -0.4 15.9 80 490 A E E -D 32 0A 28 -16,-2.1 2,-0.6 -2,-0.3 -48,-0.2 -0.272 52.0-112.2 -62.9 155.1 9.9 -3.8 15.4 81 491 A Y - 0 0 76 -50,-1.0 2,-0.7 -49,-0.1 -50,-0.1 -0.872 24.6-155.8 -98.3 120.4 9.1 -6.4 18.1 82 492 A I > - 0 0 10 -2,-0.6 3,-1.1 1,-0.1 52,-0.2 -0.899 8.5-151.2-100.7 108.3 12.1 -7.3 20.2 83 493 A S T 3 S+ 0 0 56 -2,-0.7 52,-0.2 1,-0.2 -1,-0.1 0.696 83.6 50.8 -53.8 -38.7 11.4 -10.8 21.6 84 494 A N T 3 S- 0 0 58 50,-2.1 -1,-0.2 1,-0.2 51,-0.2 0.440 93.1-151.1 -89.0 4.7 13.3 -10.9 25.0 85 495 A G < + 0 0 26 -3,-1.1 49,-3.0 49,-0.4 -1,-0.2 -0.187 50.4 11.2 66.3-158.3 11.9 -7.7 26.3 86 496 A C B > -H 133 0C 35 47,-0.2 4,-2.3 1,-0.1 47,-0.3 -0.300 59.5-139.0 -58.9 130.1 13.5 -5.3 28.7 87 497 A L H > S+ 0 0 0 45,-2.3 4,-2.9 42,-0.6 5,-0.2 0.858 102.0 56.1 -58.1 -41.8 17.2 -5.7 29.5 88 498 A L H > S+ 0 0 24 41,-0.5 4,-2.2 44,-0.3 -1,-0.2 0.953 111.0 42.6 -59.2 -51.6 16.7 -5.0 33.3 89 499 A N H > S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.886 114.2 53.2 -59.4 -41.8 14.1 -7.8 33.7 90 500 A Y H X>S+ 0 0 33 -4,-2.3 4,-3.1 2,-0.2 5,-0.7 0.917 108.8 47.8 -60.9 -49.0 16.2 -10.1 31.5 91 501 A L H X5S+ 0 0 1 -4,-2.9 4,-1.9 3,-0.2 5,-0.4 0.953 115.5 46.3 -55.8 -49.8 19.4 -9.6 33.7 92 502 A R H <5S+ 0 0 147 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.789 121.3 36.1 -63.3 -36.1 17.3 -10.2 36.9 93 503 A S H <5S+ 0 0 85 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.854 138.9 7.8 -87.1 -43.3 15.5 -13.3 35.5 94 504 A H H ><5S+ 0 0 105 -4,-3.1 3,-1.3 -5,-0.2 4,-0.4 0.443 93.2 103.7-123.3 -4.6 18.2 -15.0 33.5 95 505 A G G ><> - 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0 0 83 -4,-0.1 3,-0.8 1,-0.0 -1,-0.1 -0.689 40.3-118.9 -79.0 123.8 -11.0 38.7 6.9 462 612 B P T 3 S+ 0 0 0 0, 0.0 -35,-0.1 0, 0.0 -1,-0.0 -0.456 98.3 17.0 -66.3 142.9 -10.6 36.2 3.9 463 613 B Y T > S- 0 0 11 -2,-0.1 3,-1.7 2,-0.1 8,-0.1 0.887 94.0-150.5 58.1 42.4 -13.9 34.5 2.8 464 614 B D T < S+ 0 0 122 -3,-0.8 0, 0.0 1,-0.3 0, 0.0 0.561 74.5 6.5 -2.4 -83.2 -15.7 37.3 4.7 465 615 B L T 3 S+ 0 0 155 2,-0.0 -1,-0.3 -4,-0.0 2,-0.1 0.351 99.5 110.9-107.0 10.8 -19.0 35.6 5.8 466 616 B Y < - 0 0 90 -3,-1.7 2,-0.1 1,-0.1 3,-0.0 -0.452 64.3-125.9 -74.1 153.5 -18.4 32.0 4.8 467 617 B T > - 0 0 73 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.462 29.0-101.0 -88.1 171.1 -18.0 29.4 7.5 468 618 B N H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 125.6 49.5 -60.5 -43.4 -15.0 27.0 7.6 469 619 B S H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 111.3 49.6 -63.6 -40.0 -17.1 24.1 6.2 470 620 B E H > S+ 0 0 92 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.943 111.9 47.7 -63.3 -48.4 -18.3 26.5 3.4 471 621 B V H X S+ 0 0 2 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.923 109.2 53.3 -56.6 -51.4 -14.7 27.6 2.5 472 622 B V H X S+ 0 0 43 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.929 114.9 42.2 -53.3 -46.9 -13.5 24.0 2.5 473 623 B L H X S+ 0 0 104 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.918 115.9 46.3 -66.4 -50.1 -16.3 23.1 -0.0 474 624 B K H X>S+ 0 0 59 -4,-3.0 5,-2.3 2,-0.2 4,-0.6 0.908 113.4 49.5 -60.5 -43.8 -16.0 26.2 -2.2 475 625 B V H ><5S+ 0 0 4 -4,-3.2 3,-1.3 1,-0.2 -1,-0.2 0.907 109.2 53.0 -61.1 -44.1 -12.1 25.9 -2.4 476 626 B S H 3<5S+ 0 0 67 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.830 107.7 52.8 -59.1 -33.7 -12.5 22.2 -3.4 477 627 B Q H 3<5S- 0 0 140 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.585 129.0 -95.9 -78.3 -14.7 -14.8 23.3 -6.1 478 628 B G T <<5S+ 0 0 43 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.262 73.6 146.2 114.0 -7.5 -12.3 25.9 -7.6 479 629 B H < - 0 0 65 -5,-2.3 -1,-0.3 -6,-0.1 2,-0.3 -0.369 23.2-179.2 -63.8 134.7 -13.5 29.1 -5.8 480 630 B R - 0 0 30 -2,-0.1 2,-0.1 0, 0.0 16,-0.0 -0.891 35.5 -80.2-130.9 164.3 -10.7 31.6 -5.0 481 631 B L - 0 0 5 -2,-0.3 2,-0.0 1,-0.1 -28,-0.0 -0.417 49.6-117.7 -67.5 138.5 -10.4 35.0 -3.3 482 632 B Y - 0 0 121 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.280 39.2 -85.4 -68.0 161.8 -11.2 38.0 -5.6 483 633 B R - 0 0 95 1,-0.1 -1,-0.1 2,-0.1 2,-0.1 -0.584 40.7-128.1 -71.6 120.6 -8.6 40.7 -6.4 484 634 B P > - 0 0 3 0, 0.0 3,-1.7 0, 0.0 -27,-0.1 -0.456 24.7-117.3 -66.0 140.3 -8.4 43.4 -3.7 485 635 B H T 3 S+ 0 0 161 1,-0.3 -28,-0.1 -2,-0.1 -2,-0.1 0.792 110.7 58.5 -51.2 -31.8 -8.7 46.8 -5.5 486 636 B L T 3 S+ 0 0 57 -30,-0.6 2,-0.4 2,-0.0 -1,-0.3 0.636 89.3 88.1 -73.5 -17.7 -5.2 47.9 -4.3 487 637 B A S < S- 0 0 2 -3,-1.7 -34,-0.0 -31,-0.1 -4,-0.0 -0.721 76.1-131.9 -88.6 129.1 -3.5 45.0 -6.0 488 638 B S > - 0 0 53 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.142 29.9-103.9 -64.2 171.0 -2.4 45.3 -9.7 489 639 B D H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.872 123.3 52.9 -68.2 -32.8 -3.3 42.5 -12.2 490 640 B T H > S+ 0 0 84 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.878 110.8 46.5 -66.6 -41.4 0.4 41.3 -12.1 491 641 B I H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.894 111.2 51.4 -68.9 -43.6 0.3 41.1 -8.2 492 642 B Y H X S+ 0 0 39 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.867 107.4 53.8 -61.9 -36.6 -3.1 39.3 -8.2 493 643 B Q H X S+ 0 0 126 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.874 108.2 50.5 -65.7 -37.2 -1.6 36.8 -10.7 494 644 B I H X S+ 0 0 14 -4,-1.4 4,-0.7 2,-0.2 -2,-0.2 0.939 113.0 44.7 -66.3 -47.8 1.3 36.2 -8.3 495 645 B M H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.3 0.906 112.6 52.5 -64.4 -36.0 -1.2 35.6 -5.4 496 646 B Y H >< S+ 0 0 91 -4,-2.7 3,-2.1 1,-0.2 -1,-0.2 0.869 100.1 60.7 -63.7 -42.9 -3.4 33.4 -7.6 497 647 B S H >< S+ 0 0 48 -4,-2.0 3,-0.8 1,-0.3 -1,-0.2 0.721 97.7 61.7 -57.2 -26.6 -0.5 31.1 -8.6 498 648 B C T << S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.644 96.7 62.3 -70.9 -25.2 -0.1 30.3 -4.9 499 649 B W T < + 0 0 1 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.111 66.3 138.1 -96.2 25.1 -3.6 28.8 -4.9 500 650 B H < - 0 0 82 -3,-0.8 6,-0.1 1,-0.1 -54,-0.1 -0.475 56.8-133.2 -69.5 137.2 -3.1 26.0 -7.3 501 651 B E S S+ 0 0 117 -2,-0.1 -69,-0.3 -71,-0.1 -1,-0.1 0.876 93.4 66.6 -55.2 -42.8 -4.9 22.8 -6.1 502 652 B L S > S- 0 0 59 1,-0.1 3,-1.3 -71,-0.1 4,-0.5 -0.737 74.9-149.6 -86.6 120.8 -1.7 20.7 -6.9 503 653 B P G > S+ 0 0 10 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.871 98.1 61.2 -55.1 -37.5 1.3 21.6 -4.7 504 654 B E G 3 S+ 0 0 110 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.754 103.6 50.5 -60.4 -26.1 3.6 20.6 -7.6 505 655 B K G < S+ 0 0 137 -3,-1.3 -1,-0.3 2,-0.1 -4,-0.1 0.477 92.0 92.6 -89.5 -9.2 2.0 23.4 -9.7 506 656 B R S < S- 0 0 4 -3,-1.6 -8,-0.2 -4,-0.5 -9,-0.1 -0.602 82.4-112.5 -81.9 149.2 2.5 26.1 -7.0 507 657 B P - 0 0 19 0, 0.0 2,-0.2 0, 0.0 -62,-0.1 -0.267 27.2-112.6 -73.9 170.4 5.7 28.2 -7.3 508 658 B T > - 0 0 37 1,-0.1 4,-2.5 -63,-0.0 5,-0.1 -0.538 29.4-108.7 -89.7 168.1 8.6 28.0 -4.7 509 659 B F H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -134,-0.2 0.828 123.6 57.8 -66.3 -28.7 9.3 31.0 -2.4 510 660 B Q H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.944 109.6 43.9 -63.3 -45.3 12.6 31.4 -4.5 511 661 B Q H > S+ 0 0 105 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.909 113.5 50.8 -65.4 -40.8 10.3 31.8 -7.7 512 662 B L H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.891 108.3 52.4 -63.3 -40.5 7.9 34.1 -5.9 513 663 B L H X S+ 0 0 10 -4,-2.4 4,-3.1 1,-0.2 3,-0.2 0.947 109.7 48.4 -60.1 -47.4 10.8 36.3 -4.8 514 664 B S H < S+ 0 0 67 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.743 112.4 49.6 -66.5 -23.6 12.1 36.6 -8.4 515 665 B S H < S+ 0 0 57 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.796 117.4 40.4 -79.5 -33.9 8.5 37.4 -9.5 516 666 B I H >X S+ 0 0 0 -4,-1.9 3,-1.9 -3,-0.2 4,-0.8 0.818 99.5 75.2 -83.6 -35.3 8.2 40.1 -6.8 517 667 B E H >X S+ 0 0 62 -4,-3.1 3,-1.2 1,-0.3 4,-0.6 0.868 95.4 49.2 -45.8 -51.7 11.8 41.5 -7.1 518 668 B P H 34 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.562 108.0 53.8 -71.3 -7.1 11.1 43.4 -10.4 519 669 B L H <4 S- 0 0 62 -3,-1.9 -2,-0.2 -4,-0.1 -3,-0.1 0.578 138.5 -55.3 -98.7 -13.1 7.9 45.1 -9.0 520 670 B R H << 0 0 184 -3,-1.2 -152,-0.2 -4,-0.8 -1,-0.1 0.267 360.0 360.0 129.8 109.1 10.0 46.4 -6.0 521 671 B E < 0 0 119 -4,-0.6 -4,-0.1 -153,-0.1 -156,-0.1 -0.386 360.0 360.0 -89.4 360.0 12.2 44.4 -3.5