==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-SEP-10 3P08 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE BTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.L.YU,S.G.HYMOWITZ . 510 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24545.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 13.3 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 . 6 1.2 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 . 0 0.0 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 . 31 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 0 0 4 0 0 4 0 0 2 1 1 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 2 4 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 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 1 394 A S 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-120.5 4.6 43.6 10.9 2 395 A W + 0 0 90 67,-0.1 68,-2.6 2,-0.0 2,-0.2 0.737 360.0 83.4 -87.1 -29.5 6.8 41.6 13.2 3 396 A E B -a 70 0A 41 66,-0.2 2,-0.4 68,-0.1 68,-0.2 -0.520 67.0-156.6 -81.3 140.0 4.9 42.8 16.2 4 397 A I - 0 0 10 66,-2.5 68,-0.1 -2,-0.2 65,-0.1 -0.950 14.6-134.6-122.5 136.6 1.6 41.1 17.2 5 398 A D > - 0 0 82 -2,-0.4 3,-2.1 1,-0.1 4,-0.1 -0.795 13.5-146.3 -83.1 120.0 -1.4 42.3 19.2 6 399 A P G > S+ 0 0 28 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.633 97.0 71.0 -61.8 -14.6 -2.4 39.6 21.7 7 400 A K G 3 S+ 0 0 178 1,-0.2 -2,-0.0 21,-0.0 -3,-0.0 0.639 85.5 65.6 -76.1 -15.2 -6.0 40.8 21.2 8 401 A D G < S+ 0 0 72 -3,-2.1 21,-2.3 21,-0.1 2,-0.5 0.424 85.1 96.8 -81.1 -0.9 -5.8 39.2 17.7 9 402 A L E < +B 28 0A 15 -3,-1.1 2,-0.3 19,-0.2 19,-0.2 -0.826 52.9 168.6 -93.0 122.1 -5.5 35.9 19.6 10 403 A T E +B 27 0A 59 17,-3.1 17,-3.1 -2,-0.5 -2,-0.0 -0.820 50.4 32.0-126.8 165.9 -8.8 34.0 20.0 11 404 A F E S- 0 0 147 -2,-0.3 2,-0.3 15,-0.2 -1,-0.2 0.915 72.8-165.0 52.7 52.6 -9.8 30.5 21.2 12 405 A L E + 0 0 71 -3,-0.2 2,-0.3 14,-0.1 14,-0.2 -0.525 14.8 174.4 -70.5 126.8 -6.9 30.1 23.7 13 406 A K E -B 25 0A 107 12,-2.9 12,-2.8 -2,-0.3 2,-0.6 -0.936 36.5-136.6-136.4 157.2 -6.5 26.5 24.7 14 407 A E E -B 24 0A 62 -2,-0.3 2,-0.3 10,-0.2 253,-0.2 -0.966 38.2-175.1-113.5 111.2 -4.2 24.3 26.8 15 408 A L E -B 23 0A 50 8,-2.8 8,-2.8 -2,-0.6 2,-0.2 -0.789 22.6-120.6-114.1 146.8 -3.7 21.1 24.7 16 409 A G E -B 22 0A 38 -2,-0.3 2,-0.3 6,-0.2 6,-0.3 -0.538 21.1-172.7 -77.5 149.0 -1.9 17.8 25.3 17 410 A T E > -B 21 0A 37 4,-1.4 4,-1.1 -2,-0.2 3,-0.2 -0.942 63.0 -22.5-141.4 124.9 0.9 16.6 23.1 18 411 A G T 4 S- 0 0 51 -2,-0.3 -1,-0.1 1,-0.2 69,-0.0 -0.279 111.6 -47.0 61.2-160.0 2.2 13.1 23.6 19 412 A Q T 4 S+ 0 0 111 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.900 135.7 4.4 -75.3 -43.0 1.5 11.5 27.0 20 413 A F T 4 S+ 0 0 11 -3,-0.2 -2,-0.2 -4,-0.1 -1,-0.1 0.433 99.9 113.1-124.3 -3.8 2.6 14.3 29.4 21 414 A G E < -B 17 0A 9 -4,-1.1 -4,-1.4 269,-0.1 2,-0.3 -0.234 46.3-156.8 -67.6 159.0 3.4 17.2 27.1 22 415 A V E -B 16 0A 17 -6,-0.3 2,-0.4 253,-0.1 -6,-0.2 -0.995 7.9-168.6-139.7 145.1 1.4 20.5 26.9 23 416 A V E -B 15 0A 37 -8,-2.8 -8,-2.8 -2,-0.3 2,-0.7 -0.985 22.3-133.0-129.6 140.5 1.0 23.2 24.3 24 417 A K E -B 14 0A 17 12,-0.5 12,-2.4 -2,-0.4 2,-0.3 -0.888 34.3-165.0 -88.9 113.7 -0.6 26.7 24.5 25 418 A Y E +BC 13 35A 31 -12,-2.8 -12,-2.9 -2,-0.7 2,-0.3 -0.766 16.1 158.5 -99.9 145.7 -2.9 26.9 21.5 26 419 A G E - C 0 34A 0 8,-2.2 8,-2.7 -2,-0.3 2,-0.5 -0.961 37.1-120.6-148.3 170.2 -4.6 30.0 19.9 27 420 A K E -BC 10 33A 43 -17,-3.1 -17,-3.1 -2,-0.3 2,-0.5 -0.980 28.1-150.6-110.6 133.1 -6.1 31.2 16.7 28 421 A W E >> S-BC 9 32A 24 4,-3.0 4,-1.7 -2,-0.5 3,-1.3 -0.906 71.9 -11.1-109.0 126.9 -4.4 34.3 15.3 29 422 A R T 34 S- 0 0 142 -21,-2.3 -1,-0.2 -2,-0.5 -20,-0.1 0.792 120.3 -68.5 55.8 32.5 -6.3 36.9 13.2 30 423 A G T 34 S+ 0 0 47 -22,-0.5 -1,-0.3 -3,-0.2 -21,-0.1 0.250 131.8 46.1 79.4 -12.1 -9.3 34.6 13.0 31 424 A Q T <4 S+ 0 0 158 -3,-1.3 2,-0.5 1,-0.1 -2,-0.2 0.439 82.1 90.2-143.6 1.2 -7.7 31.9 10.7 32 425 A Y E < -C 28 0A 99 -4,-1.7 -4,-3.0 50,-0.0 2,-0.5 -0.918 60.1-142.7-110.8 124.3 -4.2 30.9 11.8 33 426 A D E +C 27 0A 69 -2,-0.5 50,-1.9 -6,-0.2 2,-0.3 -0.740 33.7 178.6 -78.8 122.9 -3.6 28.0 14.2 34 427 A V E -CD 26 82A 0 -8,-2.7 -8,-2.2 -2,-0.5 2,-0.4 -0.915 31.1-139.9-129.6 151.4 -0.7 29.0 16.4 35 428 A A E -CD 25 81A 10 46,-2.3 46,-2.3 -2,-0.3 2,-0.5 -0.883 25.2-139.7-100.0 143.6 1.4 27.7 19.3 36 429 A I E + D 0 80A 10 -12,-2.4 -12,-0.5 -2,-0.4 2,-0.4 -0.927 23.4 179.1-110.5 122.3 2.3 30.3 21.9 37 430 A K E - D 0 79A 47 42,-2.4 42,-3.0 -2,-0.5 2,-0.3 -0.955 18.9-135.4-124.5 140.0 5.8 30.2 23.4 38 431 A M E - D 0 78A 36 -2,-0.4 373,-2.5 40,-0.2 2,-0.5 -0.668 13.6-131.1 -94.0 151.4 7.4 32.4 26.0 39 432 A I B -f 411 0B 7 38,-2.5 38,-0.3 -2,-0.3 373,-0.2 -0.878 31.7-106.3 -99.0 128.8 10.9 33.9 25.8 40 433 A K > - 0 0 77 371,-2.1 3,-1.0 -2,-0.5 4,-0.3 -0.330 43.9-111.9 -50.8 124.6 13.2 33.6 28.9 41 434 A E T 3 S+ 0 0 48 1,-0.2 -1,-0.1 2,-0.1 34,-0.0 -0.303 90.1 5.5 -63.5 143.0 13.4 37.0 30.5 42 435 A G T 3 S+ 0 0 15 2,-0.3 -1,-0.2 1,-0.1 416,-0.2 0.356 94.4 108.2 71.1 -3.8 16.7 38.9 30.5 43 436 A S S < S+ 0 0 44 -3,-1.0 2,-0.3 1,-0.1 -1,-0.1 0.632 86.1 23.9 -78.7 -13.8 18.5 36.4 28.3 44 437 A M S S- 0 0 37 -4,-0.3 -2,-0.3 -5,-0.0 2,-0.2 -0.985 82.8-110.5-147.5 148.9 18.5 38.8 25.3 45 438 A S > - 0 0 36 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.567 33.9-117.9 -76.6 152.5 18.2 42.5 24.7 46 439 A E H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.876 115.2 46.5 -57.8 -44.3 15.0 43.7 23.2 47 440 A D H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.868 111.7 51.8 -65.3 -40.0 16.7 45.1 20.0 48 441 A E H > S+ 0 0 98 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.805 110.1 50.3 -66.5 -32.7 18.7 41.9 19.7 49 442 A F H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.894 108.3 50.7 -72.2 -43.0 15.5 39.9 19.9 50 443 A I H X S+ 0 0 28 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.932 108.7 50.5 -64.8 -46.8 13.7 41.9 17.3 51 444 A E H X S+ 0 0 116 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.913 112.7 47.3 -56.6 -45.0 16.4 41.6 14.6 52 445 A E H X S+ 0 0 68 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.870 110.7 51.6 -65.2 -39.0 16.6 37.8 15.2 53 446 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.876 108.0 53.6 -61.3 -39.6 12.8 37.6 14.9 54 447 A K H X S+ 0 0 82 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.891 108.4 48.3 -62.9 -43.5 13.0 39.6 11.6 55 448 A V H < S+ 0 0 69 -4,-1.9 3,-0.3 1,-0.2 4,-0.3 0.921 111.9 50.2 -61.1 -45.0 15.5 37.1 10.2 56 449 A M H >< S+ 0 0 4 -4,-2.0 3,-0.6 1,-0.2 11,-0.4 0.789 107.1 53.0 -67.0 -32.9 13.4 34.1 11.2 57 450 A M H 3< S+ 0 0 36 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.770 104.5 55.9 -75.1 -28.6 10.2 35.6 9.7 58 451 A N T 3< S+ 0 0 129 -4,-1.3 2,-1.2 -3,-0.3 -1,-0.2 0.461 84.8 93.8 -78.1 -5.2 11.9 36.0 6.3 59 452 A L < + 0 0 10 -3,-0.6 2,-0.6 -4,-0.3 8,-0.2 -0.770 59.3 172.3 -89.1 92.8 12.8 32.3 6.4 60 453 A S + 0 0 72 -2,-1.2 2,-0.3 6,-0.1 5,-0.1 -0.913 12.5 135.7-111.4 111.4 9.8 31.0 4.4 61 454 A H > - 0 0 48 -2,-0.6 3,-1.8 3,-0.3 54,-0.0 -0.969 55.9-125.7-149.5 142.4 9.7 27.4 3.4 62 455 A E T 3 S+ 0 0 138 -2,-0.3 4,-0.1 1,-0.3 53,-0.1 0.691 112.0 52.0 -60.3 -21.3 6.8 25.0 3.5 63 456 A K T 3 S+ 0 0 15 80,-0.1 81,-2.4 2,-0.1 2,-0.5 0.286 94.4 82.9-101.2 7.7 9.0 22.5 5.5 64 457 A L B < S-g 144 0C 0 -3,-1.8 2,-0.4 79,-0.2 -3,-0.3 -0.943 89.0-115.0-105.8 134.6 10.0 25.1 8.2 65 458 A V - 0 0 8 79,-2.6 2,-0.1 -2,-0.5 81,-0.1 -0.566 43.9-123.3 -65.7 119.9 7.7 25.7 11.1 66 459 A Q - 0 0 32 -2,-0.4 16,-2.7 -4,-0.1 2,-0.5 -0.411 11.5-144.0 -78.4 140.2 6.7 29.3 10.5 67 460 A L E - E 0 81A 7 -11,-0.4 14,-0.2 -8,-0.2 3,-0.1 -0.911 15.2-174.4 -93.5 124.3 7.2 32.2 13.0 68 461 A Y E - 0 0 53 12,-2.9 2,-0.3 -2,-0.5 13,-0.2 0.719 53.4 -60.4 -95.3 -25.7 4.2 34.6 12.6 69 462 A G E - E 0 80A 0 11,-0.9 11,-2.2 -65,-0.1 -1,-0.3 -0.960 44.7-107.4 164.6-176.5 5.4 37.3 14.9 70 463 A V E -aE 3 79A 1 -68,-2.6 -66,-2.5 -2,-0.3 2,-0.5 -0.924 12.5-136.7-135.2 154.8 6.3 38.4 18.4 71 464 A C E + E 0 78A 3 7,-2.6 7,-1.5 -2,-0.3 3,-0.1 -0.977 31.6 157.4-117.3 122.7 4.9 40.4 21.3 72 465 A T + 0 0 6 -2,-0.5 -1,-0.1 5,-0.2 5,-0.1 0.571 58.2 79.9-115.7 -20.7 7.5 42.7 22.9 73 466 A K S S+ 0 0 173 3,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.247 95.9 57.1 -77.2 17.3 5.2 45.3 24.5 74 467 A Q S S- 0 0 49 -3,-0.1 4,-0.0 4,-0.1 -3,-0.0 -0.850 90.5 -85.4-146.6 168.2 4.7 42.9 27.3 75 468 A R S S+ 0 0 142 -2,-0.3 2,-0.1 1,-0.2 -3,-0.1 -0.978 107.8 24.6-136.2 118.2 6.5 40.8 30.0 76 469 A P S S- 0 0 22 0, 0.0 -1,-0.2 0, 0.0 -36,-0.1 0.582 95.2-124.0 -78.3 165.6 7.5 38.1 29.3 77 470 A I - 0 0 29 -38,-0.3 -38,-2.5 -2,-0.1 2,-0.3 -0.390 31.8-163.6 -59.7 144.3 8.0 38.4 25.5 78 471 A F E -DE 38 71A 1 -7,-1.5 -7,-2.6 -40,-0.2 2,-0.3 -0.954 10.2-150.7-130.1 159.6 6.1 35.7 23.6 79 472 A I E -DE 37 70A 0 -42,-3.0 -42,-2.4 -2,-0.3 2,-0.5 -0.943 8.7-143.2-121.3 150.4 6.3 34.3 20.0 80 473 A I E +DE 36 69A 0 -11,-2.2 -12,-2.9 -2,-0.3 -11,-0.9 -0.966 25.3 179.1-115.2 125.6 3.5 32.7 17.9 81 474 A T E -DE 35 67A 8 -46,-2.3 -46,-2.3 -2,-0.5 -14,-0.2 -0.779 40.1 -75.6-120.8 162.0 4.4 29.8 15.7 82 475 A E E -D 34 0A 31 -16,-2.7 2,-0.3 -2,-0.3 -48,-0.2 -0.370 53.0-124.5 -54.4 122.5 2.8 27.4 13.2 83 476 A Y - 0 0 56 -50,-1.9 2,-0.5 -2,-0.1 -50,-0.1 -0.589 20.5-159.4 -79.0 135.5 0.7 24.9 15.2 84 477 A M > - 0 0 10 -2,-0.3 3,-1.5 1,-0.1 52,-0.2 -0.937 2.4-162.5-124.0 103.4 1.6 21.3 14.4 85 478 A A T 3 S+ 0 0 49 -2,-0.5 52,-0.2 1,-0.3 -1,-0.1 0.729 87.2 50.6 -63.8 -29.5 -1.2 18.9 15.5 86 479 A N T 3 S- 0 0 60 50,-1.9 -1,-0.3 1,-0.2 51,-0.2 0.479 97.9-157.6 -92.4 -2.2 0.8 15.7 15.5 87 480 A G E < +H 136 0C 4 -3,-1.5 49,-2.8 49,-0.7 -1,-0.2 -0.138 44.6 16.2 72.2-157.1 3.5 17.2 17.7 88 481 A C E > -H 135 0C 25 47,-0.2 4,-2.0 1,-0.1 47,-0.3 -0.236 60.8-136.8 -55.4 134.1 7.1 16.3 18.1 89 482 A L H > S+ 0 0 0 45,-2.7 4,-2.6 42,-0.7 5,-0.2 0.865 102.3 57.8 -60.5 -37.3 8.7 13.9 15.5 90 483 A L H > S+ 0 0 11 41,-0.9 4,-1.7 44,-0.3 -1,-0.2 0.945 110.4 41.2 -60.1 -51.5 10.4 11.8 18.2 91 484 A N H > S+ 0 0 55 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.875 113.8 54.7 -62.3 -39.0 7.2 11.0 20.0 92 485 A Y H < S+ 0 0 23 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.860 107.7 49.2 -63.5 -40.6 5.5 10.5 16.7 93 486 A L H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.831 114.1 45.1 -65.2 -36.4 8.2 7.9 15.7 94 487 A R H 3< S+ 0 0 51 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.702 101.2 67.0 -82.4 -21.0 7.8 6.0 19.0 95 488 A E T >< + 0 0 64 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.200 65.6 119.3 -80.9 12.8 4.0 6.2 18.7 96 489 A M T < + 0 0 65 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.138 20.2 130.5 -69.7 21.9 4.5 3.9 15.7 97 490 A R T 3 S+ 0 0 201 -3,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.718 87.4 17.0 -45.6 -19.1 2.4 1.4 17.6 98 491 A H S < S+ 0 0 116 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.1 0.665 116.6 23.2-111.8 -83.7 0.8 1.4 14.1 99 492 A R + 0 0 74 -4,-0.2 -3,-0.1 2,-0.0 5,-0.1 0.846 49.3 128.3 -77.9 -63.1 2.0 2.7 10.9 100 493 A F - 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0 0 25 -2,-0.2 3,-0.9 1,-0.1 -1,-0.1 -0.670 37.3-112.0 -79.1 127.0 13.7 42.8 36.3 452 597 B P T 3 S+ 0 0 0 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.257 96.8 6.5 -62.7 140.8 16.9 43.6 38.2 453 598 B Y T > S+ 0 0 15 1,-0.1 3,-2.5 2,-0.1 8,-0.1 0.851 79.4 175.5 56.0 43.8 19.3 45.9 36.3 454 599 B E T < S+ 0 0 99 -3,-0.9 -1,-0.1 1,-0.3 -412,-0.1 0.700 70.2 55.2 -54.6 -30.4 16.7 46.5 33.6 455 600 B R T 3 S+ 0 0 227 2,-0.0 2,-0.4 6,-0.0 -1,-0.3 0.428 100.2 74.7 -85.2 -1.0 18.7 49.2 31.7 456 601 B F S < S- 0 0 58 -3,-2.5 2,-0.0 -4,-0.1 0, 0.0 -0.915 74.9-131.6-115.8 139.3 21.7 46.8 31.3 457 602 B T > - 0 0 42 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.262 41.9 -95.6 -67.5 170.3 22.2 43.8 29.0 458 603 B N H > S+ 0 0 40 2,-0.2 4,-2.1 -416,-0.2 5,-0.1 0.897 126.8 44.6 -55.4 -47.5 23.6 40.6 30.6 459 604 B S H > S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.852 115.4 48.9 -69.4 -34.0 27.3 41.4 29.7 460 605 B E H > S+ 0 0 70 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.863 108.7 52.9 -70.4 -39.5 26.8 45.0 30.8 461 606 B T H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.946 110.2 49.2 -59.3 -46.3 25.3 43.9 34.1 462 607 B A H X S+ 0 0 28 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.880 113.4 44.9 -62.7 -43.5 28.3 41.6 34.6 463 608 B E H X S+ 0 0 119 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.954 115.6 47.2 -63.5 -49.9 30.8 44.4 33.9 464 609 B H H <>S+ 0 0 70 -4,-2.8 5,-2.3 1,-0.2 4,-0.5 0.862 110.0 51.2 -63.6 -39.8 28.9 47.0 36.1 465 610 B I H ><5S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.885 107.9 53.4 -64.8 -39.7 28.5 44.6 39.0 466 611 B A H 3<5S+ 0 0 41 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.825 108.5 52.1 -58.2 -33.1 32.3 43.9 38.8 467 612 B Q T 3<5S- 0 0 168 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.512 133.6 -88.1 -83.9 -8.7 32.7 47.8 39.0 468 613 B G T < 5 + 0 0 44 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.521 69.2 156.8 117.9 7.5 30.5 48.1 42.1 469 614 B L < + 0 0 50 -5,-2.3 2,-0.3 -8,-0.1 -1,-0.3 -0.410 14.2 176.6 -65.9 138.5 26.9 48.4 40.9 470 615 B R - 0 0 38 -2,-0.1 2,-0.2 0, 0.0 16,-0.0 -0.905 35.1 -89.4-137.6 165.1 24.2 47.4 43.4 471 616 B L - 0 0 5 -2,-0.3 2,-0.0 1,-0.1 -28,-0.0 -0.561 41.1-122.9 -82.7 139.3 20.4 47.5 43.3 472 617 B Y - 0 0 133 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.250 37.5 -85.4 -72.6 165.5 18.6 50.6 44.6 473 618 B R - 0 0 114 1,-0.1 -1,-0.1 2,-0.1 6,-0.1 -0.612 46.0-123.9 -72.5 121.2 16.0 50.5 47.4 474 619 B P > - 0 0 4 0, 0.0 3,-1.1 0, 0.0 -27,-0.1 -0.339 21.9-113.5 -60.8 149.4 12.5 49.7 46.1 475 620 B H T 3 S+ 0 0 178 1,-0.3 -28,-0.1 -28,-0.1 -2,-0.1 0.833 117.0 47.6 -51.4 -36.3 9.8 52.2 46.8 476 621 B L T 3 S+ 0 0 51 -30,-0.6 2,-0.4 2,-0.0 -1,-0.3 0.599 91.5 94.5 -88.4 -14.3 8.0 49.7 49.1 477 622 B A < - 0 0 3 -3,-1.1 2,-0.1 -31,-0.1 -4,-0.0 -0.650 69.5-139.9 -76.3 131.0 11.1 48.6 51.0 478 623 B S > - 0 0 28 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.260 33.4 -97.0 -70.7 173.0 11.7 50.4 54.3 479 624 B E H > S+ 0 0 139 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.921 127.3 49.8 -55.5 -47.8 15.2 51.4 55.3 480 625 B K H > S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.895 109.4 49.3 -59.6 -48.7 15.4 48.2 57.5 481 626 B V H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.852 111.0 51.0 -62.3 -35.4 14.2 45.9 54.6 482 627 B Y H X S+ 0 0 56 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.869 106.2 54.1 -71.1 -36.6 16.8 47.5 52.3 483 628 B T H X S+ 0 0 91 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.842 108.5 52.8 -60.3 -35.9 19.6 46.9 54.8 484 629 B I H X S+ 0 0 8 -4,-1.6 4,-0.7 2,-0.2 3,-0.3 0.967 112.6 39.7 -66.2 -56.1 18.5 43.2 54.9 485 630 B M H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.875 115.8 54.6 -60.4 -36.2 18.6 42.6 51.1 486 631 B Y H >< S+ 0 0 100 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.765 94.3 65.4 -70.8 -31.6 21.8 44.7 50.9 487 632 B S H >< S+ 0 0 36 -4,-1.5 3,-0.9 -3,-0.3 -1,-0.2 0.791 96.7 61.0 -59.5 -27.9 23.7 42.6 53.5 488 633 B C T << S+ 0 0 0 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.589 97.7 59.5 -70.4 -15.0 23.4 39.8 50.9 489 634 B W T < + 0 0 1 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.2 0.018 67.5 144.6-111.7 26.7 25.4 41.9 48.4 490 635 B H < - 0 0 73 -3,-0.9 6,-0.1 1,-0.1 5,-0.1 -0.416 55.7-128.4 -61.5 141.0 28.7 42.4 50.3 491 636 B E S S+ 0 0 99 4,-0.1 2,-0.6 1,-0.1 -69,-0.1 0.828 97.4 65.3 -59.9 -36.0 31.7 42.3 48.0 492 637 B K S > S- 0 0 129 1,-0.1 3,-1.8 -71,-0.1 4,-0.1 -0.832 77.2-148.8 -95.8 119.2 33.3 39.7 50.2 493 638 B A G > S+ 0 0 21 -2,-0.6 3,-1.6 1,-0.3 -1,-0.1 0.865 98.0 54.2 -52.9 -43.2 31.4 36.4 50.3 494 639 B D G 3 S+ 0 0 130 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.595 100.2 62.6 -70.4 -11.7 32.5 35.6 53.9 495 640 B E G < S+ 0 0 123 -3,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.320 85.8 95.5 -96.9 6.4 31.1 39.0 55.0 496 641 B R S < S- 0 0 7 -3,-1.6 -8,-0.2 -4,-0.1 -9,-0.1 -0.670 78.7-109.1 -95.0 151.4 27.6 38.0 54.0 497 642 B P - 0 0 16 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.148 25.8-111.8 -74.1 171.6 25.1 36.6 56.5 498 643 B T > - 0 0 47 1,-0.1 4,-2.5 -63,-0.0 5,-0.1 -0.532 32.3-107.2 -88.8 167.8 23.7 33.1 56.8 499 644 B F H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -129,-0.2 0.786 122.5 58.5 -66.4 -27.0 20.1 32.2 56.1 500 645 B K H > S+ 0 0 142 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.908 107.6 45.6 -64.0 -45.5 19.6 31.8 59.8 501 646 B I H > S+ 0 0 82 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.960 113.9 48.4 -61.2 -52.4 20.7 35.4 60.4 502 647 B L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.934 110.7 52.5 -52.8 -49.9 18.5 36.7 57.5 503 648 B L H X S+ 0 0 19 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.929 110.4 45.5 -51.5 -54.3 15.6 34.7 59.0 504 649 B S H X S+ 0 0 55 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.902 112.8 53.0 -58.1 -42.1 16.0 36.2 62.4 505 650 B N H X S+ 0 0 50 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.871 107.9 49.6 -58.7 -42.7 16.4 39.7 60.8 506 651 B I H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.930 108.7 52.7 -63.9 -46.7 13.1 39.3 58.8 507 652 B L H X S+ 0 0 68 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.810 106.2 55.0 -57.6 -33.9 11.2 38.3 62.0 508 653 B D H >X S+ 0 0 80 -4,-1.6 4,-1.0 2,-0.2 3,-0.6 0.902 107.4 47.7 -66.6 -43.2 12.5 41.4 63.8 509 654 B V H 3< S+ 0 0 7 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.814 105.3 61.2 -69.3 -31.0 11.1 43.8 61.1 510 655 B M H 3< S+ 0 0 52 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.762 101.7 53.1 -62.8 -30.8 7.8 41.8 61.2 511 656 B D H << S+ 0 0 140 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.827 113.3 42.5 -70.9 -34.4 7.6 42.9 64.9 512 657 B E < 0 0 133 -4,-1.0 -1,-0.2 -3,-0.1 -2,-0.2 0.112 360.0 360.0-106.6 20.1 8.1 46.6 64.0 513 658 B E 0 0 92 -3,-0.5 -3,-0.1 -4,-0.1 -157,-0.0 -0.458 360.0 360.0-147.8 360.0 5.8 46.7 60.9