==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 23-DEC-11 3V8W . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ITK/TSK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.R.MCLEAN,Y.ZHANG . 485 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21586.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 15.1 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 . 4 0.8 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 . 24 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 33.2 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 2 2 0 0 4 2 0 2 0 0 2 0 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 . 0 2 2 2 2 1 3 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 1 355 A G 0 0 76 0, 0.0 68,-0.1 0, 0.0 362,-0.1 0.000 360.0 360.0 360.0-113.7 -45.3 -12.3 5.8 2 356 A S - 0 0 11 1,-0.2 67,-2.9 66,-0.1 2,-0.5 0.985 360.0-166.2 53.1 77.6 -43.2 -12.3 9.0 3 357 A V B -a 69 0A 81 65,-0.2 2,-0.4 67,-0.1 67,-0.2 -0.842 4.1-160.9 -98.1 124.2 -41.8 -15.8 9.1 4 358 A I - 0 0 4 65,-2.7 67,-0.5 -2,-0.5 68,-0.3 -0.897 17.7-127.2-106.1 131.6 -40.1 -17.1 12.3 5 359 A D >> - 0 0 54 -2,-0.4 3,-1.4 65,-0.1 4,-0.6 -0.521 19.7-124.9 -73.1 140.8 -37.7 -20.1 12.4 6 360 A P G >4 S+ 0 0 40 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.775 108.9 62.0 -60.8 -26.1 -38.7 -22.9 14.9 7 361 A S G 34 S+ 0 0 97 1,-0.2 21,-0.0 3,-0.1 -3,-0.0 0.720 95.5 61.7 -69.3 -24.1 -35.2 -22.7 16.5 8 362 A E G <4 S+ 0 0 23 -3,-1.4 20,-2.2 20,-0.1 21,-0.5 0.763 93.2 78.6 -71.7 -30.3 -35.9 -19.0 17.5 9 363 A L E << -B 27 0A 13 -4,-0.6 2,-0.4 -3,-0.6 18,-0.2 -0.639 62.2-163.4 -86.9 140.3 -38.9 -20.1 19.7 10 364 A T E -B 26 0A 52 16,-2.2 16,-1.9 -2,-0.3 2,-0.4 -0.979 12.9-143.8-126.3 112.6 -38.4 -21.6 23.2 11 365 A F E +B 25 0A 105 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.655 27.3 164.5 -79.9 126.6 -41.5 -23.4 24.8 12 366 A V E - 0 0 79 12,-2.3 2,-0.3 -2,-0.4 13,-0.2 0.837 57.2 -10.8-106.4 -60.7 -41.8 -22.9 28.5 13 367 A Q E -B 24 0A 121 11,-1.6 11,-3.5 0, 0.0 2,-0.4 -0.995 59.7-112.5-151.2 143.4 -45.4 -24.0 29.7 14 368 A E E +B 23 0A 97 -2,-0.3 9,-0.3 9,-0.2 3,-0.1 -0.627 38.6 165.6 -74.3 121.5 -48.8 -25.0 28.3 15 369 A I E + 0 0 88 7,-2.8 2,-0.3 -2,-0.4 8,-0.2 0.557 56.7 25.7-115.0 -16.9 -51.3 -22.1 29.3 16 370 A G E -B 22 0A 21 6,-2.3 6,-2.3 2,-0.0 2,-0.3 -0.969 54.0-168.6-149.1 161.3 -54.3 -22.8 27.1 17 371 A S E B 21 0A 99 -2,-0.3 4,-0.2 4,-0.3 6,-0.0 -0.987 360.0 360.0-151.4 150.3 -56.2 -25.5 25.2 18 372 A G 0 0 97 2,-0.7 -2,-0.0 -2,-0.3 0, 0.0 -0.971 360.0 360.0-152.1 360.0 -59.1 -25.7 22.6 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 20 375 A G 0 0 30 0, 0.0 -2,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-158.1 -55.3 -25.9 19.3 21 376 A L E -BC 17 37A 64 16,-0.8 16,-2.3 -4,-0.2 2,-0.5 -0.729 360.0-145.6-102.1 149.5 -53.0 -25.4 22.3 22 377 A V E -BC 16 36A 41 -6,-2.3 -7,-2.8 -2,-0.3 -6,-2.3 -0.971 19.7-171.4-115.8 122.1 -51.6 -22.1 23.8 23 378 A H E -BC 14 35A 33 12,-2.6 12,-3.3 -2,-0.5 2,-0.4 -0.923 22.6-130.8-117.5 142.3 -48.0 -22.1 25.2 24 379 A L E +BC 13 34A 39 -11,-3.5 -12,-2.3 -2,-0.4 -11,-1.6 -0.757 50.9 139.8 -85.7 129.8 -46.1 -19.5 27.2 25 380 A G E -BC 11 33A 0 8,-2.9 8,-3.0 -2,-0.4 2,-0.3 -0.848 45.8-101.2-154.0-169.8 -42.7 -19.0 25.6 26 381 A Y E -BC 10 32A 84 -16,-1.9 -16,-2.2 -2,-0.2 2,-0.5 -0.983 16.0-148.6-130.8 140.5 -39.8 -16.8 24.4 27 382 A W E >> S-BC 9 31A 10 4,-1.7 4,-1.4 -2,-0.3 3,-1.1 -0.961 89.0 -9.3-111.5 121.1 -38.8 -15.5 21.0 28 383 A L T 34 S- 0 0 17 -20,-2.2 -1,-0.2 -2,-0.5 -19,-0.1 0.702 119.2 -75.5 62.2 27.7 -35.0 -15.0 20.5 29 384 A N T 34 S+ 0 0 116 -21,-0.5 -1,-0.2 2,-0.2 3,-0.1 0.784 126.9 69.9 55.7 36.8 -34.5 -15.7 24.3 30 385 A K T <4 S+ 0 0 65 -3,-1.1 2,-0.3 1,-0.3 -2,-0.2 0.537 76.4 64.0-138.3 -63.0 -35.8 -12.1 25.2 31 386 A D E < S-C 27 0A 13 -4,-1.4 -4,-1.7 1,-0.1 2,-0.4 -0.612 73.7-123.9 -83.4 135.5 -39.6 -11.4 24.6 32 387 A K E -C 26 0A 102 -2,-0.3 50,-1.2 -6,-0.2 2,-0.3 -0.621 42.0-178.6 -74.8 121.4 -42.4 -13.2 26.4 33 388 A V E -CD 25 81A 0 -8,-3.0 -8,-2.9 -2,-0.4 2,-0.6 -0.924 30.9-135.8-127.8 153.9 -44.7 -14.7 23.7 34 389 A A E -CD 24 80A 14 46,-2.3 46,-2.8 -2,-0.3 2,-0.6 -0.955 24.2-155.0-108.9 114.8 -47.9 -16.7 23.5 35 390 A I E -CD 23 79A 0 -12,-3.3 -12,-2.6 -2,-0.6 2,-0.8 -0.868 4.8-162.2 -99.3 114.6 -47.6 -19.5 21.0 36 391 A K E -CD 22 78A 45 42,-2.2 42,-2.1 -2,-0.6 2,-0.2 -0.858 15.0-168.5 -98.8 102.3 -50.8 -20.8 19.4 37 392 A T E -CD 21 77A 14 -16,-2.3 -16,-0.8 -2,-0.8 40,-0.2 -0.644 22.7-107.0 -92.3 148.7 -50.1 -24.3 17.8 38 393 A I 0 0 30 38,-1.8 -17,-0.1 -2,-0.2 5,-0.1 -0.377 360.0 360.0 -73.5 152.9 -52.5 -26.2 15.4 39 394 A R 0 0 67 3,-0.4 -1,-0.1 -19,-0.1 0, 0.0 -0.401 360.0 360.0 -77.0 360.0 -54.5 -29.3 16.6 40 ! 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 41 396 A G 0 0 100 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0-137.8 -56.5 -32.6 13.3 42 397 A A + 0 0 81 2,-0.1 -3,-0.4 -4,-0.0 0, 0.0 -0.154 360.0 42.6 -64.9 158.1 -59.3 -30.0 12.8 43 398 A M S S- 0 0 80 -5,-0.1 2,-0.2 4,-0.0 -4,-0.1 0.671 85.5 -93.0 71.8 131.5 -58.9 -26.5 11.0 44 399 A S > - 0 0 40 1,-0.1 4,-1.3 -6,-0.0 -2,-0.1 -0.481 21.5-136.2 -74.0 139.6 -57.1 -25.9 7.7 45 400 A E H > S+ 0 0 97 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.815 104.7 50.1 -62.3 -36.8 -53.4 -24.9 7.8 46 401 A E H > S+ 0 0 140 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.874 108.9 50.3 -71.3 -41.8 -53.9 -22.2 5.1 47 402 A D H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.781 106.0 57.7 -65.4 -32.8 -57.0 -20.6 6.8 48 403 A F H X S+ 0 0 35 -4,-1.3 4,-0.6 2,-0.2 -1,-0.2 0.779 113.3 39.2 -67.2 -32.1 -54.9 -20.4 10.1 49 404 A I H X S+ 0 0 49 -4,-0.8 4,-1.7 -3,-0.4 -2,-0.2 0.784 109.9 60.3 -87.2 -34.3 -52.3 -18.3 8.2 50 405 A E H X S+ 0 0 58 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.849 106.4 47.5 -61.8 -37.9 -55.0 -16.3 6.2 51 406 A E H X S+ 0 0 25 -4,-1.7 4,-2.0 96,-0.2 -1,-0.2 0.817 109.2 54.5 -71.9 -34.7 -56.4 -15.0 9.6 52 407 A A H X S+ 0 0 1 -4,-0.6 4,-1.5 2,-0.2 -2,-0.2 0.812 104.6 53.4 -68.3 -35.2 -52.9 -14.1 10.7 53 408 A E H < S+ 0 0 56 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.825 111.0 46.9 -68.4 -35.0 -52.2 -12.0 7.6 54 409 A V H >X S+ 0 0 60 -4,-1.0 3,-0.9 2,-0.2 4,-0.7 0.902 111.6 50.8 -71.6 -45.1 -55.5 -10.0 8.3 55 410 A M H 3< S+ 0 0 5 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.772 107.6 53.4 -64.2 -30.9 -54.6 -9.6 12.0 56 411 A M T 3< S+ 0 0 13 -4,-1.5 249,-1.6 1,-0.2 -1,-0.2 0.589 106.9 52.9 -80.5 -13.3 -51.1 -8.2 11.1 57 412 A K T <4 S+ 0 0 50 -3,-0.9 2,-0.6 -4,-0.4 -2,-0.2 0.584 94.6 77.9 -95.7 -16.3 -52.6 -5.6 8.8 58 413 A L < - 0 0 15 -4,-0.7 2,-0.6 -3,-0.3 245,-0.2 -0.880 62.3-171.2-102.4 111.0 -55.0 -4.1 11.4 59 414 A S + 0 0 0 243,-1.9 253,-0.2 -2,-0.6 245,-0.1 -0.914 24.4 134.1-109.6 114.0 -53.3 -1.7 14.0 60 415 A H > - 0 0 4 -2,-0.6 3,-1.9 3,-0.2 253,-0.1 -0.963 57.4-123.9-153.3 138.4 -55.3 -0.5 17.0 61 416 A P T 3 S+ 0 0 5 0, 0.0 4,-0.1 0, 0.0 252,-0.1 0.633 112.1 55.0 -61.6 -11.9 -54.3 -0.3 20.8 62 417 A K T 3 S+ 0 0 1 80,-0.1 81,-2.4 51,-0.1 2,-0.4 0.090 95.2 81.3-108.1 21.3 -57.3 -2.5 21.7 63 418 A L B < S-f 143 0B 2 -3,-1.9 -3,-0.2 79,-0.3 81,-0.2 -0.978 86.2-107.3-127.3 138.8 -56.5 -5.4 19.3 64 419 A V - 0 0 2 79,-2.0 2,-0.3 -2,-0.4 -2,-0.1 -0.430 35.8-138.8 -67.2 133.3 -53.9 -8.3 20.0 65 420 A Q - 0 0 2 -2,-0.1 16,-1.9 -4,-0.1 2,-0.4 -0.739 5.4-140.8 -99.2 145.5 -50.7 -8.0 18.0 66 421 A L E - E 0 80A 1 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.883 7.8-162.6-107.5 134.6 -48.8 -10.8 16.3 67 422 A Y E - 0 0 20 12,-3.2 2,-0.3 -2,-0.4 13,-0.2 0.871 64.2 -66.8 -78.1 -42.7 -44.9 -11.1 16.2 68 423 A G E - E 0 79A 0 11,-1.1 11,-2.7 -64,-0.0 2,-0.4 -0.976 47.8 -83.6 174.3-171.3 -44.9 -13.6 13.3 69 424 A V E -aE 3 78A 5 -67,-2.9 -65,-2.7 -2,-0.3 2,-0.6 -0.976 20.8-141.3-127.4 137.9 -45.7 -17.1 12.0 70 425 A C E + E 0 77A 5 7,-2.9 7,-1.2 -2,-0.4 -65,-0.1 -0.888 33.2 155.6 -99.6 117.5 -43.8 -20.4 12.2 71 426 A L + 0 0 79 -2,-0.6 -1,-0.1 -67,-0.5 -66,-0.1 0.682 51.8 75.9-112.4 -32.1 -44.1 -22.3 8.8 72 427 A E S S+ 0 0 144 -68,-0.3 2,-0.3 1,-0.1 4,-0.1 0.934 94.5 39.7 -50.8 -67.0 -41.1 -24.7 8.6 73 428 A Q S S- 0 0 49 2,-0.1 -1,-0.1 0, 0.0 -3,-0.0 -0.752 92.1 -98.1 -97.8 138.6 -42.0 -27.5 11.1 74 429 A A S S+ 0 0 83 -2,-0.3 2,-0.1 2,-0.1 -3,-0.1 -0.752 103.0 57.5 -92.0 136.2 -45.4 -29.1 11.6 75 430 A P S S- 0 0 84 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.383 90.8-145.1 -71.9 134.5 -47.5 -28.4 13.7 76 431 A I - 0 0 9 -2,-0.1 -38,-1.8 -5,-0.1 2,-0.3 -0.326 18.5-160.6 -69.0 151.7 -47.5 -24.8 12.5 77 432 A C E -DE 37 70A 5 -7,-1.2 -7,-2.9 -40,-0.2 2,-0.4 -0.984 19.6-131.6-143.9 154.2 -47.9 -21.9 15.1 78 433 A L E -DE 36 69A 9 -42,-2.1 -42,-2.2 -2,-0.3 2,-0.8 -0.845 20.3-142.2-101.2 134.4 -48.8 -18.2 15.5 79 434 A V E +DE 35 68A 0 -11,-2.7 -12,-3.2 -2,-0.4 -11,-1.1 -0.849 29.2 177.4-102.5 98.7 -46.5 -16.0 17.7 80 435 A F E -DE 34 66A 25 -46,-2.8 -46,-2.3 -2,-0.8 -14,-0.2 -0.579 36.1 -95.7 -96.7 162.5 -48.7 -13.6 19.7 81 436 A E E -D 33 0A 29 -16,-1.9 2,-0.5 -48,-0.2 -48,-0.2 -0.506 48.2-106.9 -73.7 141.9 -47.7 -10.9 22.3 82 437 A F - 0 0 52 -50,-1.2 2,-0.6 -2,-0.2 -50,-0.1 -0.654 25.9-155.0 -79.7 124.6 -48.0 -12.2 25.9 83 438 A M > - 0 0 17 -2,-0.5 3,-1.0 1,-0.1 53,-0.2 -0.903 10.5-145.6-100.3 111.9 -51.0 -10.8 27.8 84 439 A E T 3 S+ 0 0 88 -2,-0.6 52,-0.2 1,-0.2 -1,-0.1 0.780 94.0 33.8 -45.0 -46.8 -50.2 -11.0 31.6 85 440 A H T 3 S- 0 0 85 50,-1.7 -1,-0.2 1,-0.2 51,-0.2 0.458 95.4-161.0 -97.6 -1.9 -53.7 -11.8 33.0 86 441 A G E < +G 135 0B 21 -3,-1.0 49,-3.1 49,-0.8 -1,-0.2 -0.213 50.2 28.6 63.2-147.3 -54.9 -13.9 30.0 87 442 A C E > -G 134 0B 29 47,-0.2 4,-1.8 1,-0.1 47,-0.2 -0.199 62.4-142.9 -52.2 129.9 -58.5 -14.8 29.1 88 443 A L H > S+ 0 0 0 45,-2.8 4,-2.1 42,-0.7 43,-0.2 0.894 99.2 53.1 -62.7 -46.6 -61.2 -12.2 30.2 89 444 A S H > S+ 0 0 5 41,-1.1 4,-1.1 44,-0.3 -1,-0.2 0.883 114.3 42.8 -58.0 -42.1 -63.9 -14.7 31.2 90 445 A D H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.827 111.9 54.3 -73.0 -35.5 -61.4 -16.6 33.5 91 446 A Y H X S+ 0 0 23 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.831 107.2 51.2 -66.9 -36.5 -60.0 -13.3 34.9 92 447 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.844 111.6 47.2 -68.7 -37.9 -63.6 -12.2 35.9 93 448 A R H >< S+ 0 0 91 -4,-1.1 3,-0.8 -5,-0.2 -2,-0.2 0.861 113.5 46.8 -71.2 -42.6 -64.3 -15.5 37.7 94 449 A T H 3< S+ 0 0 103 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.838 119.7 38.8 -69.7 -38.1 -60.9 -15.5 39.6 95 450 A Q T >< S+ 0 0 78 -4,-1.7 3,-1.6 -5,-0.1 4,-0.3 -0.000 86.0 150.6-102.8 26.3 -61.2 -11.9 40.8 96 451 A R T < + 0 0 105 -3,-0.8 -3,-0.1 1,-0.2 86,-0.0 -0.370 66.4 19.0 -63.9 130.7 -65.0 -12.1 41.4 97 452 A G T 3 S+ 0 0 63 -2,-0.1 -1,-0.2 2,-0.1 -4,-0.1 0.201 108.2 82.3 92.0 -11.9 -66.3 -9.7 44.1 98 453 A L S < S+ 0 0 138 -3,-1.6 2,-0.3 2,-0.1 -2,-0.2 0.472 71.5 97.4 -98.3 -7.7 -63.1 -7.5 43.9 99 454 A F - 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0 0 97 -2,-0.2 3,-0.8 -4,-0.1 2,-0.3 -0.665 30.6-125.5 -79.6 124.1 -25.1 13.3 20.7 432 558 B P T 3 S+ 0 0 0 0, 0.0 -35,-0.1 0, 0.0 -1,-0.0 -0.599 91.8 0.5 -75.4 128.5 -23.5 11.8 17.5 433 559 B Y T > S- 0 0 4 -2,-0.3 3,-1.3 1,-0.1 8,-0.1 0.943 92.9-155.8 58.7 54.2 -20.9 14.2 16.1 434 560 B E T < + 0 0 119 -3,-0.8 -1,-0.1 1,-0.2 3,-0.1 -0.368 69.0 4.0 -64.3 135.9 -21.4 16.8 18.9 435 561 B N T 3 S+ 0 0 171 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.614 102.2 124.7 60.0 21.2 -20.5 20.5 18.1 436 562 B R < - 0 0 113 -3,-1.3 -1,-0.2 2,-0.0 2,-0.0 -0.925 58.0-129.1-110.5 129.6 -19.7 19.4 14.5 437 563 B S > - 0 0 54 -2,-0.4 4,-1.9 -3,-0.1 3,-0.3 -0.234 26.5-103.8 -73.0 165.3 -21.4 21.2 11.5 438 564 B N H > S+ 0 0 92 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.782 122.9 49.7 -58.8 -34.0 -23.3 19.4 8.6 439 565 B S H > S+ 0 0 100 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.819 109.0 52.6 -74.9 -34.6 -20.3 20.1 6.2 440 566 B E H > S+ 0 0 115 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.880 109.8 46.7 -67.9 -44.4 -17.7 18.7 8.8 441 567 B V H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.864 109.6 54.5 -67.3 -38.6 -19.6 15.4 9.3 442 568 B V H X S+ 0 0 28 -4,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.864 111.3 44.6 -63.1 -40.4 -20.0 14.8 5.5 443 569 B E H X S+ 0 0 60 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.793 110.9 55.5 -73.7 -32.1 -16.2 15.3 4.9 444 570 B D H X>S+ 0 0 20 -4,-1.4 5,-1.9 2,-0.2 4,-1.4 0.888 108.1 46.2 -67.7 -44.3 -15.4 13.0 7.9 445 571 B I H <5S+ 0 0 8 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.891 110.1 54.9 -65.6 -42.5 -17.5 10.0 6.6 446 572 B S H <5S+ 0 0 95 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.821 107.8 49.1 -60.3 -38.0 -16.0 10.3 3.1 447 573 B T H <5S- 0 0 123 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.847 126.9 -95.5 -71.4 -38.6 -12.4 10.1 4.4 448 574 B G T <5S+ 0 0 52 -4,-1.4 -3,-0.2 1,-0.3 2,-0.1 0.299 73.8 142.3 137.6 -3.9 -13.1 7.0 6.5 449 575 B F < - 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0 0 86 -3,-0.8 6,-0.1 1,-0.1 -3,-0.1 -0.488 59.1-128.0 -74.2 142.3 -20.3 0.1 5.3 471 597 B E S S+ 0 0 70 -2,-0.1 -69,-0.1 -71,-0.1 -1,-0.1 0.890 93.1 56.3 -56.2 -48.9 -19.8 2.5 2.3 472 598 B R S > S- 0 0 35 1,-0.1 4,-0.7 -71,-0.1 3,-0.4 -0.664 78.6-138.5 -87.9 141.0 -21.9 0.5 -0.2 473 599 B P T 4 S+ 0 0 45 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.834 102.2 59.8 -68.0 -30.7 -25.6 -0.4 0.7 474 600 B E T 4 S+ 0 0 84 1,-0.2 -3,-0.0 -3,-0.0 -4,-0.0 0.782 101.1 54.5 -64.6 -32.6 -25.2 -4.0 -0.7 475 601 B D T 4 S+ 0 0 99 -3,-0.4 -1,-0.2 2,-0.1 -4,-0.1 0.739 91.2 90.7 -73.4 -27.3 -22.4 -4.7 1.9 476 602 B R S < S- 0 0 2 -4,-0.7 -8,-0.2 -3,-0.5 2,-0.1 -0.471 83.8-116.3 -70.1 138.2 -24.6 -3.7 4.8 477 603 B P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.465 28.2-110.6 -78.4 152.0 -26.7 -6.5 6.4 478 604 B A > - 0 0 24 -2,-0.1 4,-2.6 1,-0.1 3,-0.3 -0.318 27.1-109.5 -73.7 160.4 -30.6 -6.5 6.2 479 605 B F H > S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 -117,-0.2 0.775 119.8 57.8 -61.0 -29.4 -32.7 -5.9 9.4 480 606 B S H > S+ 0 0 52 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.882 112.5 39.3 -67.7 -40.9 -33.8 -9.6 9.2 481 607 B R H > S+ 0 0 161 -3,-0.3 4,-1.9 2,-0.2 3,-0.3 0.883 112.6 56.5 -74.8 -42.6 -30.1 -10.8 9.4 482 608 B L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.782 101.1 59.0 -58.4 -34.2 -29.2 -8.1 12.0 483 609 B L H X S+ 0 0 3 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.895 109.5 41.6 -63.3 -45.2 -31.9 -9.4 14.3 484 610 B R H X S+ 0 0 69 -4,-0.8 4,-1.5 -3,-0.3 -2,-0.2 0.847 113.6 53.6 -71.4 -37.1 -30.4 -12.9 14.5 485 611 B Q H X S+ 0 0 37 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.896 112.0 44.5 -64.1 -42.9 -26.8 -11.4 14.8 486 612 B L H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.812 110.9 54.5 -70.3 -34.6 -27.9 -9.3 17.8 487 613 B A H X S+ 0 0 11 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.795 102.3 57.8 -69.0 -32.5 -29.8 -12.2 19.4 488 614 B E H X S+ 0 0 130 -4,-1.5 4,-0.9 2,-0.2 5,-0.3 0.802 105.5 49.9 -67.4 -33.3 -26.6 -14.4 19.2 489 615 B I H < S+ 0 0 24 -4,-0.8 3,-0.2 2,-0.2 -2,-0.2 0.868 110.2 50.6 -72.0 -40.0 -24.6 -11.8 21.3 490 616 B A H < S+ 0 0 58 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.813 107.6 53.7 -66.2 -35.0 -27.5 -11.7 24.0 491 617 B E H < S+ 0 0 78 -4,-1.5 -1,-0.2 -463,-0.0 -2,-0.2 0.766 131.3 7.9 -71.4 -29.9 -27.5 -15.6 24.2 492 618 B S < 0 0 106 -4,-0.9 -3,-0.2 -3,-0.2 -2,-0.1 0.708 360.0 360.0-114.4 -79.3 -23.7 -15.7 25.0 493 619 B G 0 0 68 -5,-0.3 -4,-0.1 -4,-0.1 -33,-0.1 0.075 360.0 360.0 170.2 360.0 -21.9 -12.4 25.6