==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 03-AUG-11 3T9T . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ITK/TSK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HAN,N.CASPERS . 263 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 14.8 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 0 1 1 0 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 2 0 0 0 2 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 1 0 1 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 1 356 A W 0 0 95 0, 0.0 68,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -10.6 6.3 9.9 -2.2 2 357 A V B -a 69 0A 62 66,-0.2 2,-0.5 68,-0.1 68,-0.2 -0.781 360.0-160.0 -87.0 125.1 4.3 13.0 -2.8 3 358 A I - 0 0 4 66,-2.4 69,-0.4 -2,-0.5 68,-0.3 -0.930 13.9-132.4-105.7 124.7 0.7 12.4 -3.8 4 359 A D > - 0 0 74 -2,-0.5 3,-2.1 66,-0.1 4,-0.2 -0.423 20.7-119.7 -70.6 146.0 -1.3 15.2 -5.6 5 360 A P G > S+ 0 0 35 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.836 113.8 62.6 -56.5 -28.9 -4.7 16.0 -4.3 6 361 A S G 3 S+ 0 0 102 1,-0.3 -2,-0.0 3,-0.0 -3,-0.0 0.645 94.7 63.5 -72.8 -10.2 -6.1 15.1 -7.7 7 362 A E G < S+ 0 0 60 -3,-2.1 21,-3.0 20,-0.1 2,-0.3 0.392 97.7 66.0 -95.6 2.7 -4.8 11.5 -7.2 8 363 A L E < -B 27 0A 13 -3,-1.6 2,-0.4 19,-0.2 19,-0.2 -0.942 55.3-170.8-124.3 143.2 -7.1 10.8 -4.1 9 364 A T E -B 26 0A 76 17,-2.1 17,-1.7 -2,-0.3 2,-0.5 -0.998 17.4-140.3-130.0 146.4 -10.8 10.5 -3.6 10 365 A F E +B 25 0A 95 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.894 24.5 168.8-106.7 124.9 -12.5 10.2 -0.2 11 366 A V E - 0 0 84 13,-2.6 2,-0.3 -2,-0.5 14,-0.2 0.852 60.6 -5.3-104.5 -53.6 -15.4 7.7 0.0 12 367 A Q E -B 24 0A 108 12,-1.7 12,-3.2 0, 0.0 2,-0.3 -0.988 62.0-117.6-150.1 142.7 -16.3 7.3 3.6 13 368 A E E +B 23 0A 114 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.610 28.7 179.8 -73.0 129.3 -15.1 8.4 7.0 14 369 A I E - 0 0 79 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.670 48.8 -70.2-107.6 -23.4 -14.1 5.3 9.0 15 370 A G E -B 22 0A 28 7,-1.5 7,-3.4 71,-0.0 2,-0.4 -0.978 50.1 -66.2 161.6-168.6 -12.9 6.8 12.3 16 371 A S E +B 21 0A 97 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.944 43.8 163.2-119.5 132.8 -10.3 8.9 14.3 17 372 A G E > -B 20 0A 39 3,-2.8 3,-1.7 -2,-0.4 115,-0.1 -0.564 53.8 -35.1-127.5-167.5 -6.7 7.9 15.0 18 373 A Q T 3 S+ 0 0 41 1,-0.3 -1,-0.2 -2,-0.2 127,-0.0 -0.352 130.1 5.2 -54.2 128.0 -3.5 9.6 16.1 19 374 A F T 3 S- 0 0 16 19,-0.1 20,-3.3 23,-0.1 2,-0.3 0.222 127.0 -47.5 82.0 -15.5 -3.5 13.1 14.6 20 375 A G E < S-BC 17 38A 4 -3,-1.7 -3,-2.8 18,-0.2 18,-0.2 -0.980 81.1 -14.7 155.7-160.9 -6.9 13.1 13.1 21 376 A L E -BC 16 37A 62 16,-0.7 16,-2.6 -2,-0.3 2,-0.4 -0.434 44.6-149.2 -85.3 150.6 -9.7 11.5 11.0 22 377 A V E -BC 15 36A 23 -7,-3.4 -8,-3.0 14,-0.2 -7,-1.5 -0.945 11.2-169.0-123.0 137.2 -9.3 8.6 8.6 23 378 A H E -BC 13 35A 35 12,-2.6 12,-2.5 -2,-0.4 2,-0.4 -0.929 24.9-124.8-120.7 148.5 -11.3 7.8 5.4 24 379 A L E +BC 12 34A 25 -12,-3.2 -13,-2.6 -2,-0.3 -12,-1.7 -0.739 55.0 138.9 -78.4 136.6 -11.6 4.9 3.1 25 380 A G E -BC 10 33A 0 8,-2.4 8,-2.7 -2,-0.4 2,-0.3 -0.905 46.6 -94.8-159.3-168.4 -10.8 6.1 -0.4 26 381 A Y E -BC 9 32A 125 -17,-1.7 -17,-2.1 6,-0.3 2,-0.5 -0.917 17.3-147.9-125.6 152.0 -9.0 5.4 -3.6 27 382 A W E >> -BC 8 31A 41 4,-2.6 3,-2.2 -2,-0.3 4,-1.1 -0.984 39.3 -99.0-121.4 123.2 -5.6 6.3 -4.9 28 383 A L T 34 S- 0 0 91 -21,-3.0 -21,-0.1 -2,-0.5 -22,-0.0 -0.098 97.2 -12.4 -51.7 130.2 -5.3 6.9 -8.7 29 384 A N T 34 S+ 0 0 154 1,-0.1 -1,-0.3 0, 0.0 -22,-0.0 0.584 131.8 70.9 58.6 15.0 -3.9 4.0 -10.8 30 385 A K T <4 S- 0 0 135 -3,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.703 92.3 -74.1-125.1 -78.6 -2.9 2.4 -7.5 31 386 A D E < -C 27 0A 98 -4,-1.1 -4,-2.6 50,-0.0 2,-0.3 -0.993 48.8 -62.7-170.2 175.3 -5.4 0.9 -5.0 32 387 A K E +C 26 0A 80 -2,-0.3 50,-0.5 -6,-0.2 2,-0.3 -0.610 64.0 178.4 -69.0 143.1 -8.0 1.4 -2.4 33 388 A V E -C 25 0A 0 -8,-2.7 -8,-2.4 -2,-0.3 2,-0.4 -0.907 35.0-115.2-143.0 163.3 -6.4 3.2 0.5 34 389 A A E -CD 24 80A 9 46,-2.6 46,-2.4 -2,-0.3 2,-0.5 -0.897 31.6-161.5 -96.8 143.2 -6.9 4.6 4.0 35 390 A I E -CD 23 79A 0 -12,-2.5 -12,-2.6 -2,-0.4 2,-0.6 -0.985 4.3-160.0-129.8 122.6 -6.3 8.4 4.1 36 391 A K E -CD 22 78A 31 42,-3.3 42,-2.4 -2,-0.5 2,-0.7 -0.899 8.2-150.3-105.1 125.9 -5.6 10.3 7.4 37 392 A T E -CD 21 77A 36 -16,-2.6 -16,-0.7 -2,-0.6 2,-0.4 -0.854 21.1-131.8 -92.8 116.3 -6.3 14.0 7.4 38 393 A I E -C 20 0A 0 38,-2.8 -18,-0.2 -2,-0.7 38,-0.2 -0.545 19.9-127.8 -74.3 122.2 -3.9 15.6 9.9 39 394 A R >> - 0 0 164 -20,-3.3 3,-1.8 -2,-0.4 4,-0.6 -0.445 29.8 -98.3 -69.3 138.8 -5.6 18.0 12.2 40 395 A E T 34 S+ 0 0 186 1,-0.2 -1,-0.1 -2,-0.2 -21,-0.0 -0.286 106.3 13.6 -52.2 129.7 -4.2 21.5 12.6 41 396 A G T 34 S+ 0 0 58 2,-0.3 -1,-0.2 -3,-0.1 112,-0.1 0.210 103.7 90.8 94.1 -15.7 -2.0 21.8 15.7 42 397 A A T <4 S+ 0 0 30 -3,-1.8 111,-2.2 -23,-0.2 112,-0.4 0.785 82.6 45.1 -84.1 -28.6 -1.6 18.1 16.4 43 398 A M B < S-F 152 0B 6 -4,-0.6 2,-1.7 109,-0.2 -2,-0.3 -0.914 72.7-125.7-126.8 141.5 1.6 17.3 14.4 44 399 A S > - 0 0 29 107,-2.8 4,-2.1 -2,-0.4 5,-0.2 -0.662 41.5-177.6 -75.2 86.2 5.0 18.7 13.8 45 400 A E H > S+ 0 0 53 -2,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.859 70.9 50.4 -67.5 -42.2 4.3 18.5 10.1 46 401 A E H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 111.5 50.1 -64.7 -40.3 7.6 19.8 8.7 47 402 A D H > S+ 0 0 74 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.924 112.8 46.9 -60.6 -47.0 9.5 17.3 10.8 48 403 A F H >X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 3,-1.2 0.938 108.1 55.4 -62.8 -43.8 7.3 14.5 9.7 49 404 A I H >X S+ 0 0 28 -4,-2.8 3,-0.7 1,-0.3 4,-0.6 0.904 104.1 54.9 -57.0 -39.2 7.6 15.5 6.0 50 405 A E H 3< S+ 0 0 141 -4,-2.1 -1,-0.3 1,-0.2 4,-0.2 0.799 114.9 39.9 -61.2 -28.5 11.4 15.3 6.3 51 406 A E H < S+ 0 0 21 -4,-2.1 3,-1.0 1,-0.2 11,-0.3 0.875 102.6 56.3 -67.4 -34.0 9.4 5.9 6.5 56 411 A M H 3< S+ 0 0 42 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.804 96.4 64.4 -67.5 -28.4 8.0 4.7 3.2 57 412 A K T 3< S+ 0 0 146 -4,-0.8 2,-0.6 -5,-0.2 -1,-0.2 0.682 80.1 94.1 -71.3 -15.1 11.0 2.5 2.7 58 413 A L < + 0 0 26 -3,-1.0 8,-0.4 -4,-0.5 2,-0.4 -0.683 56.5 164.5 -74.5 121.7 10.0 0.5 5.7 59 414 A S + 0 0 71 -2,-0.6 5,-0.1 6,-0.1 6,-0.0 -0.942 5.9 141.7-149.8 116.6 8.0 -2.3 4.2 60 415 A H > - 0 0 31 3,-0.4 3,-2.1 -2,-0.4 54,-0.1 -0.977 55.2-115.8-156.4 146.2 7.0 -5.6 5.9 61 416 A P T 3 S+ 0 0 84 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.714 116.7 47.4 -60.1 -21.4 3.8 -7.7 5.7 62 417 A K T 3 S+ 0 0 36 80,-0.1 81,-2.7 51,-0.1 2,-0.4 0.145 100.2 77.0-110.1 18.7 3.2 -7.1 9.4 63 418 A L B < S-g 143 0C 2 -3,-2.1 -3,-0.4 79,-0.3 2,-0.3 -0.991 90.3-108.0-121.4 138.3 3.7 -3.3 9.4 64 419 A V - 0 0 9 79,-2.7 2,-0.5 -2,-0.4 81,-0.1 -0.477 41.3-127.0 -61.7 120.9 1.1 -0.8 8.0 65 420 A Q - 0 0 29 -2,-0.3 16,-1.5 -4,-0.1 2,-0.5 -0.639 10.2-143.8 -82.2 118.7 2.6 0.4 4.7 66 421 A L E - E 0 80A 15 -2,-0.5 14,-0.3 -8,-0.4 3,-0.1 -0.703 17.4-177.5 -72.8 124.9 2.9 4.2 4.2 67 422 A Y E - 0 0 62 12,-3.3 2,-0.3 -2,-0.5 13,-0.2 0.700 52.4 -62.6 -98.3 -27.7 2.1 4.9 0.5 68 423 A G E - E 0 79A 0 11,-1.3 11,-2.6 -65,-0.0 2,-0.4 -0.961 44.4 -92.1 165.6-176.3 2.7 8.6 0.5 69 424 A V E -aE 2 78A 0 -68,-2.7 -66,-2.4 -2,-0.3 2,-0.7 -0.993 15.0-149.7-132.1 133.4 1.8 12.1 1.6 70 425 A C E + E 0 77A 9 7,-2.6 7,-2.2 -2,-0.4 -66,-0.1 -0.891 35.7 149.9-100.5 112.5 -0.5 14.7 0.2 71 426 A L + 0 0 54 -2,-0.7 -1,-0.1 -68,-0.3 5,-0.1 0.346 31.3 105.5-130.2 7.2 0.9 18.0 1.1 72 427 A E S S+ 0 0 139 -69,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.850 92.8 17.5 -59.1 -34.5 0.1 20.6 -1.6 73 428 A Q S S- 0 0 109 2,-0.2 -1,-0.1 -3,-0.0 -3,-0.0 -0.958 98.5 -67.0-139.6 149.1 -2.6 22.2 0.7 74 429 A A S S+ 0 0 92 -2,-0.3 2,-0.1 2,-0.1 -3,-0.1 -0.654 107.2 47.5 -78.1 140.1 -3.5 22.3 4.4 75 430 A P S S- 0 0 65 0, 0.0 -2,-0.2 0, 0.0 -36,-0.1 0.548 86.1-145.3 -86.1 154.4 -4.5 20.1 5.9 76 431 A I - 0 0 7 -38,-0.2 -38,-2.8 -2,-0.1 2,-0.4 -0.386 10.8-146.5 -81.0 161.7 -2.0 17.4 4.8 77 432 A C E -DE 37 70A 11 -7,-2.2 -7,-2.6 -40,-0.2 2,-0.4 -0.978 6.1-149.2-129.5 140.8 -2.9 13.8 4.4 78 433 A L E -DE 36 69A 15 -42,-2.4 -42,-3.3 -2,-0.4 2,-0.4 -0.924 17.0-153.9-105.7 140.9 -1.1 10.5 5.0 79 434 A V E +DE 35 68A 0 -11,-2.6 -12,-3.3 -2,-0.4 -11,-1.3 -0.937 21.6 158.8-118.6 129.9 -2.0 7.5 2.7 80 435 A T E -DE 34 66A 31 -46,-2.4 -46,-2.6 -2,-0.4 -14,-0.2 -0.849 46.6 -69.5-136.5 174.5 -1.6 3.9 3.7 81 436 A E - 0 0 30 -16,-1.5 2,-0.4 -2,-0.3 -48,-0.2 -0.286 57.9-109.7 -57.5 150.2 -2.9 0.4 2.9 82 437 A F - 0 0 38 -50,-0.5 2,-0.5 -49,-0.1 -1,-0.1 -0.794 28.2-166.1 -92.9 132.1 -6.4 -0.2 4.0 83 438 A M > - 0 0 15 -2,-0.4 3,-0.6 53,-0.1 53,-0.2 -0.976 9.3-152.6-118.9 128.1 -7.2 -2.6 6.9 84 439 A E T 3 S+ 0 0 78 -2,-0.5 52,-0.2 1,-0.2 -1,-0.1 0.727 79.0 50.3 -75.9 -29.0 -10.8 -3.7 7.3 85 440 A H T 3 S- 0 0 98 50,-2.4 -1,-0.2 1,-0.3 51,-0.1 0.121 88.2-137.0-115.1 20.9 -11.3 -4.4 11.0 86 441 A G < + 0 0 36 -3,-0.6 49,-2.4 49,-0.2 -1,-0.3 -0.201 56.1 0.5 78.5-155.8 -10.0 -1.4 13.0 87 442 A C B > -H 134 0C 38 47,-0.2 4,-2.5 1,-0.1 47,-0.3 -0.536 57.3-133.0 -78.3 140.4 -7.9 -1.3 16.1 88 443 A L H > S+ 0 0 0 45,-3.2 4,-2.5 42,-0.6 5,-0.3 0.888 106.8 58.4 -57.6 -40.4 -6.7 -4.5 17.8 89 444 A S H > S+ 0 0 5 41,-1.2 4,-2.0 44,-0.4 -1,-0.2 0.945 111.4 38.4 -55.1 -53.6 -7.8 -3.1 21.2 90 445 A D H > S+ 0 0 86 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.862 113.0 58.4 -63.8 -39.2 -11.5 -2.6 20.0 91 446 A Y H X S+ 0 0 28 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.914 110.8 41.2 -60.8 -44.1 -11.4 -5.8 18.0 92 447 A L H < S+ 0 0 0 -4,-2.5 3,-0.2 2,-0.2 -1,-0.2 0.901 115.7 50.8 -67.0 -43.7 -10.6 -7.9 21.2 93 448 A R H >< S+ 0 0 93 -4,-2.0 3,-1.1 -5,-0.3 -2,-0.2 0.909 109.9 47.8 -66.0 -41.9 -13.0 -6.0 23.4 94 449 A T H 3< S+ 0 0 112 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.724 119.9 38.6 -74.8 -18.0 -15.9 -6.3 21.1 95 450 A Q T >< S+ 0 0 61 -4,-0.9 3,-2.1 -3,-0.2 4,-0.4 0.034 79.0 154.8-120.5 25.0 -15.4 -10.0 20.6 96 451 A R T < + 0 0 113 -3,-1.1 -3,-0.1 1,-0.3 103,-0.0 -0.297 66.7 28.5 -56.6 132.8 -14.3 -11.0 24.1 97 452 A G T 3 S+ 0 0 66 2,-0.1 -1,-0.3 -5,-0.0 -5,-0.0 0.215 105.0 80.8 99.5 -12.7 -15.1 -14.7 24.8 98 453 A L < + 0 0 134 -3,-2.1 2,-0.4 -6,-0.2 -2,-0.1 0.693 67.2 90.5 -99.5 -20.5 -14.8 -15.8 21.2 99 454 A F - 0 0 22 -4,-0.4 2,-0.2 -7,-0.1 -2,-0.1 -0.640 66.7-134.0 -91.6 134.1 -11.1 -16.1 20.6 100 455 A A >> - 0 0 41 -2,-0.4 4,-2.1 1,-0.1 3,-1.0 -0.492 27.2-115.2 -73.7 149.9 -9.1 -19.3 21.1 101 456 A A H 3> S+ 0 0 38 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.868 117.4 58.5 -53.2 -36.6 -5.8 -19.0 23.0 102 457 A E H 3> S+ 0 0 141 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.837 104.7 48.9 -61.8 -35.5 -4.0 -20.1 19.7 103 458 A T H <> S+ 0 0 47 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.927 110.4 51.3 -70.4 -44.9 -5.5 -17.2 17.8 104 459 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.914 110.4 48.8 -54.9 -46.9 -4.4 -14.8 20.6 105 460 A L H X S+ 0 0 15 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.894 108.1 55.4 -61.0 -39.5 -0.9 -16.2 20.4 106 461 A G H X S+ 0 0 25 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.869 104.4 52.6 -65.4 -34.9 -1.0 -15.8 16.6 107 462 A M H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.907 108.7 50.5 -62.7 -42.6 -1.8 -12.1 17.0 108 463 A C H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.905 108.5 52.9 -64.2 -39.2 1.1 -11.6 19.3 109 464 A L H X S+ 0 0 27 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.884 105.6 53.0 -62.1 -39.8 3.4 -13.4 16.7 110 465 A D H X S+ 0 0 27 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.954 113.0 44.7 -59.8 -47.5 2.2 -11.0 13.9 111 466 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.933 111.7 52.9 -59.4 -47.9 3.2 -8.1 16.1 112 467 A C H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.869 107.7 51.8 -57.3 -38.8 6.4 -9.7 17.1 113 468 A E H X S+ 0 0 70 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.922 110.6 46.5 -67.9 -43.8 7.3 -10.2 13.5 114 469 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 -52,-0.2 -2,-0.2 0.911 113.0 50.4 -61.9 -41.0 6.7 -6.6 12.5 115 470 A M H X S+ 0 0 1 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.871 105.5 56.8 -68.1 -34.9 8.7 -5.5 15.6 116 471 A A H X S+ 0 0 17 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.866 107.0 49.2 -59.0 -37.1 11.6 -7.8 14.6 117 472 A Y H X S+ 0 0 71 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.945 112.2 47.2 -69.8 -46.3 11.8 -6.0 11.3 118 473 A L H <>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 4,-0.3 0.936 111.0 52.7 -57.6 -46.9 11.8 -2.6 13.0 119 474 A E H ><5S+ 0 0 31 -4,-3.1 3,-1.5 1,-0.2 -1,-0.2 0.923 109.2 48.3 -51.9 -49.0 14.4 -3.8 15.4 120 475 A E H 3<5S+ 0 0 163 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.851 111.9 50.5 -65.7 -29.8 16.7 -5.0 12.5 121 476 A A T 3<5S- 0 0 45 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.408 113.7-120.9 -85.1 1.0 16.1 -1.6 10.8 122 477 A C T < 5 + 0 0 109 -3,-1.5 2,-0.5 -4,-0.3 -3,-0.2 0.840 64.9 143.8 60.9 34.2 17.1 0.2 14.0 123 478 A V < - 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0 0 74 -4,-0.1 3,-0.8 -2,-0.0 2,-0.1 -0.711 35.0-125.4 -82.5 125.9 -6.9 -2.1 30.4 203 558 A P T 3 S+ 0 0 2 0, 0.0 4,-0.2 0, 0.0 3,-0.1 -0.474 90.8 5.8 -69.9 144.8 -3.5 -2.7 32.1 204 559 A Y T > S- 0 0 13 1,-0.1 3,-2.3 -2,-0.1 8,-0.1 0.910 93.3-155.9 51.6 46.5 -3.1 -1.3 35.6 205 560 A E T < + 0 0 98 -3,-0.8 -1,-0.1 1,-0.3 3,-0.1 -0.221 69.8 6.2 -62.5 137.7 -6.7 -0.3 35.5 206 561 A N T 3 S+ 0 0 147 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.671 96.3 127.6 60.7 17.0 -7.5 2.6 37.9 207 562 A R < - 0 0 92 -3,-2.3 -1,-0.2 -4,-0.2 2,-0.0 -0.906 57.7-131.5 -93.7 133.4 -3.8 3.1 38.8 208 563 A S > - 0 0 52 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.311 29.0-101.7 -71.8 166.7 -2.6 6.7 38.3 209 564 A N H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.910 124.9 50.0 -55.3 -41.2 0.6 7.3 36.4 210 565 A S H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.878 109.2 51.9 -70.6 -35.0 2.5 7.8 39.6 211 566 A E H > S+ 0 0 66 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.907 108.0 50.9 -65.3 -43.4 1.1 4.6 41.1 212 567 A V H X S+ 0 0 1 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.937 111.1 49.4 -57.7 -46.1 2.2 2.6 38.1 213 568 A V H X S+ 0 0 44 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.935 113.8 45.1 -58.4 -48.5 5.7 4.0 38.4 214 569 A E H X S+ 0 0 110 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.923 114.1 48.9 -62.7 -43.5 5.8 3.2 42.1 215 570 A D H ><>S+ 0 0 25 -4,-2.8 5,-2.4 1,-0.2 3,-0.5 0.941 114.4 44.3 -61.3 -52.1 4.4 -0.3 41.6 216 571 A I H ><5S+ 0 0 3 -4,-3.0 3,-1.5 1,-0.2 -1,-0.2 0.902 111.6 54.0 -62.0 -41.4 6.8 -1.2 38.8 217 572 A S H 3<5S+ 0 0 59 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.735 109.4 48.4 -66.9 -24.0 9.8 0.3 40.6 218 573 A T T <<5S- 0 0 119 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.252 128.7 -94.0-103.3 11.7 9.0 -1.9 43.7 219 574 A G T < 5S+ 0 0 49 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.364 72.5 145.3 103.2 -2.8 8.6 -5.0 41.6 220 575 A F < - 0 0 95 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.380 23.2-176.5 -62.3 143.3 4.9 -5.3 40.9 221 576 A R - 0 0 44 -2,-0.1 16,-0.0 0, 0.0 -5,-0.0 -0.977 36.4 -82.6-137.8 153.8 4.0 -6.8 37.5 222 577 A L - 0 0 5 -2,-0.3 2,-0.0 1,-0.1 15,-0.0 -0.248 53.9-110.0 -49.5 136.4 0.7 -7.4 35.6 223 578 A Y - 0 0 130 1,-0.1 -1,-0.1 -3,-0.0 -3,-0.0 -0.282 40.5 -86.2 -67.7 155.7 -1.0 -10.7 36.8 224 579 A K - 0 0 74 1,-0.1 -1,-0.1 2,-0.1 2,-0.1 -0.499 42.4-125.5 -64.9 123.0 -1.2 -13.7 34.4 225 580 A P > - 0 0 3 0, 0.0 3,-1.7 0, 0.0 -27,-0.1 -0.448 21.1-120.6 -59.7 140.7 -4.3 -13.5 32.1 226 581 A R T 3 S+ 0 0 236 1,-0.3 -28,-0.1 -2,-0.1 -2,-0.1 0.843 112.2 53.5 -55.9 -31.7 -6.4 -16.6 32.4 227 582 A L T 3 S+ 0 0 70 -30,-0.6 2,-0.5 2,-0.1 -1,-0.3 0.550 90.8 91.0 -85.3 -7.9 -5.9 -17.4 28.7 228 583 A A S < S- 0 0 2 -3,-1.7 -127,-0.0 -31,-0.1 -34,-0.0 -0.787 75.4-131.2 -89.0 129.4 -2.2 -17.2 28.9 229 584 A S > - 0 0 57 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.224 27.9-106.7 -66.2 163.5 -0.3 -20.4 29.5 230 585 A T H > S+ 0 0 114 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.858 123.1 53.0 -61.5 -31.8 2.4 -20.4 32.2 231 586 A H H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.893 108.3 48.3 -71.9 -37.5 5.0 -20.5 29.4 232 587 A V H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.918 111.0 51.2 -69.9 -38.8 3.5 -17.5 27.7 233 588 A Y H X S+ 0 0 51 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.825 104.3 57.5 -65.5 -33.4 3.4 -15.6 30.9 234 589 A Q H X S+ 0 0 98 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.939 107.7 48.5 -61.6 -44.2 7.1 -16.4 31.5 235 590 A I H X S+ 0 0 2 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.920 108.7 52.9 -62.7 -45.2 7.9 -14.7 28.2 236 591 A M H >X S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 4,-0.8 0.934 108.5 50.7 -52.3 -48.0 5.8 -11.7 29.2 237 592 A N H 3< S+ 0 0 47 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.816 102.5 60.2 -66.8 -29.5 7.8 -11.4 32.4 238 593 A H H >< S+ 0 0 30 -4,-1.7 3,-1.0 1,-0.2 -1,-0.3 0.811 101.8 54.1 -59.4 -34.6 11.0 -11.6 30.4 239 594 A C H << S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.724 105.6 54.8 -73.9 -20.7 9.9 -8.4 28.6 240 595 A W T 3< S+ 0 0 1 -4,-0.8 -1,-0.2 -3,-0.5 2,-0.2 0.017 73.2 138.0-104.3 28.2 9.4 -6.7 31.9 241 596 A R < - 0 0 104 -3,-1.0 6,-0.1 1,-0.1 5,-0.1 -0.508 59.1-127.8 -70.1 143.1 12.9 -7.2 33.3 242 597 A E S S+ 0 0 113 -2,-0.2 -69,-0.2 4,-0.1 -1,-0.1 0.902 94.0 62.1 -60.3 -45.0 14.1 -4.1 35.0 243 598 A R S >> S- 0 0 135 1,-0.1 3,-1.8 -71,-0.1 4,-0.6 -0.719 75.9-145.9 -84.9 122.9 17.4 -4.0 33.1 244 599 A P G >4 S+ 0 0 34 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.855 98.5 62.6 -58.0 -34.3 17.0 -3.5 29.3 245 600 A E G 34 S+ 0 0 122 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.730 100.7 53.9 -62.7 -19.1 20.1 -5.7 28.6 246 601 A D G <4 S+ 0 0 84 -3,-1.8 -1,-0.3 2,-0.1 -4,-0.1 0.576 89.5 92.8 -91.9 -11.7 18.2 -8.6 30.3 247 602 A R S << S- 0 0 4 -3,-1.3 -8,-0.2 -4,-0.6 2,-0.1 -0.584 84.0-110.2 -78.2 144.5 15.2 -8.4 28.1 248 603 A P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.413 29.7-113.9 -69.0 149.8 15.2 -10.6 24.9 249 604 A A > - 0 0 24 1,-0.1 4,-2.9 -2,-0.1 3,-0.4 -0.427 28.9-109.6 -67.9 158.9 15.5 -9.0 21.6 250 605 A F H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -134,-0.2 0.871 121.1 59.6 -57.6 -37.5 12.5 -9.2 19.3 251 606 A S H > S+ 0 0 57 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.896 109.6 42.5 -57.2 -40.5 14.5 -11.7 17.1 252 607 A R H > S+ 0 0 128 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.917 113.5 51.5 -71.9 -47.1 14.8 -13.9 20.2 253 608 A L H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.867 106.3 55.4 -50.6 -41.7 11.2 -13.5 21.2 254 609 A L H X S+ 0 0 48 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.934 109.7 45.6 -65.5 -45.3 10.1 -14.3 17.7 255 610 A R H X S+ 0 0 151 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.899 115.8 46.5 -59.3 -44.8 11.9 -17.7 17.8 256 611 A Q H X S+ 0 0 39 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.932 115.0 44.9 -67.5 -47.1 10.6 -18.5 21.3 257 612 A L H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.883 111.8 53.1 -66.4 -40.0 7.0 -17.6 20.5 258 613 A A H X S+ 0 0 21 -4,-2.5 4,-3.0 -5,-0.3 5,-0.2 0.917 107.6 51.4 -58.1 -46.7 7.1 -19.5 17.2 259 614 A E H X S+ 0 0 145 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.927 111.9 47.0 -60.1 -43.4 8.3 -22.6 18.9 260 615 A I H >< S+ 0 0 31 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.961 116.3 44.6 -61.2 -47.0 5.5 -22.4 21.4 261 616 A A H 3< S+ 0 0 47 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.877 114.4 46.9 -63.4 -43.1 2.9 -21.7 18.6 262 617 A E H 3< 0 0 169 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.475 360.0 360.0 -87.7 -3.1 4.1 -24.4 16.2 263 618 A S << 0 0 128 -4,-0.8 -1,-0.2 -3,-0.7 -4,-0.0 -0.768 360.0 360.0-113.2 360.0 4.4 -27.2 18.8