==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-APR-10 3MJ2 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ITK/TSK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,A.G.VILLASENOR . 259 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 14.7 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 . 17 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 1 1 0 0 3 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 1 357 A V 0 0 138 0, 0.0 2,-0.5 0, 0.0 68,-0.2 0.000 360.0 360.0 360.0 129.2 6.1 -10.4 -13.8 2 358 A I - 0 0 6 66,-2.5 69,-0.4 2,-0.0 68,-0.3 -0.897 360.0-126.8 -98.3 128.3 6.2 -6.9 -15.2 3 359 A D > - 0 0 65 -2,-0.5 3,-2.0 1,-0.1 4,-0.2 -0.542 17.2-126.3 -68.4 134.7 6.7 -6.5 -19.0 4 360 A P G > S+ 0 0 28 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.831 109.8 61.2 -51.4 -36.7 9.6 -4.2 -19.9 5 361 A S G 3 S+ 0 0 99 1,-0.3 -2,-0.0 3,-0.0 22,-0.0 0.643 92.6 66.4 -67.3 -15.9 7.3 -2.1 -22.1 6 362 A E G < S+ 0 0 63 -3,-2.0 21,-2.9 21,-0.1 2,-0.4 0.485 95.2 74.1 -81.5 -4.4 5.2 -1.3 -19.0 7 363 A L E < -A 26 0A 15 -3,-1.7 2,-0.4 19,-0.2 19,-0.2 -0.897 58.2-165.7-117.8 142.5 8.2 0.7 -17.6 8 364 A T E -A 25 0A 52 17,-2.0 17,-1.9 -2,-0.4 2,-0.6 -0.994 16.2-144.2-123.3 121.6 9.7 4.1 -18.4 9 365 A F E +A 24 0A 86 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.783 27.4 167.9 -85.7 117.7 13.1 5.0 -17.1 10 366 A V E - 0 0 69 13,-2.3 2,-0.3 -2,-0.6 14,-0.2 0.911 54.2 -14.0 -99.4 -59.2 13.0 8.7 -16.3 11 367 A Q E -A 23 0A 112 12,-1.6 12,-3.0 0, 0.0 -1,-0.3 -0.989 60.0-110.6-153.9 142.3 16.1 9.6 -14.2 12 368 A E E +A 22 0A 116 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.515 31.0 177.5 -65.9 128.5 18.9 8.1 -12.2 13 369 A I E - 0 0 84 8,-3.1 2,-0.3 1,-0.3 9,-0.2 0.611 53.3 -61.0-112.7 -16.2 18.3 8.8 -8.5 14 370 A G E -A 21 0A 30 7,-1.4 7,-2.4 2,-0.0 2,-0.3 -0.991 47.8 -87.5 167.5-164.9 21.2 6.9 -7.0 15 371 A S E +A 20 0A 91 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.996 33.7 171.3-137.9 143.5 23.0 3.6 -6.4 16 372 A G E > -A 19 0A 47 3,-2.6 3,-0.7 -2,-0.3 5,-0.0 -0.433 56.2 -53.7-127.0-155.7 22.6 1.0 -3.7 17 373 A Q T 3 S+ 0 0 52 1,-0.2 3,-0.1 -2,-0.2 20,-0.0 0.830 135.4 33.8 -54.9 -38.8 23.8 -2.5 -2.8 18 374 A F T 3 S- 0 0 7 1,-0.3 20,-3.7 133,-0.1 2,-0.4 0.390 118.6-102.0-105.5 1.7 22.7 -4.0 -6.1 19 375 A G E < S+A 16 0A 5 -3,-0.7 -3,-2.6 18,-0.2 -1,-0.3 -0.915 73.1 26.2 123.9-143.4 23.3 -1.0 -8.4 20 376 A L E -A 15 0A 56 16,-0.4 16,-3.1 -2,-0.4 2,-0.4 -0.231 47.3-162.3 -69.8 144.6 21.3 1.7 -10.1 21 377 A V E -AB 14 35A 30 -7,-2.4 -8,-3.1 14,-0.2 -7,-1.4 -0.999 12.9-171.3-123.0 127.5 18.0 3.1 -8.9 22 378 A H E -AB 12 34A 30 12,-2.6 12,-3.0 -2,-0.4 2,-0.4 -0.923 27.6-126.1-116.5 143.3 15.9 5.1 -11.3 23 379 A L E +AB 11 33A 14 -12,-3.0 -13,-2.3 -2,-0.4 -12,-1.6 -0.731 51.4 161.0 -70.7 133.3 12.7 7.2 -10.9 24 380 A G E -AB 9 32A 0 8,-2.8 8,-2.6 -2,-0.4 2,-0.4 -0.868 36.5-114.5-144.9 179.5 10.4 5.6 -13.5 25 381 A Y E -AB 8 31A 74 -17,-1.9 -17,-2.0 -2,-0.3 2,-0.5 -0.967 13.8-145.8-124.5 143.6 6.8 5.3 -14.5 26 382 A W E >> S-AB 7 30A 60 4,-2.3 4,-1.7 -2,-0.4 3,-1.3 -0.945 89.1 -10.1-109.9 121.1 4.6 2.2 -14.6 27 383 A L T 34 S- 0 0 97 -21,-2.9 -1,-0.2 -2,-0.5 -20,-0.1 0.905 119.3 -74.3 50.2 46.6 2.1 2.2 -17.4 28 384 A N T 34 S+ 0 0 135 -22,-0.3 -1,-0.2 -3,-0.3 3,-0.1 0.585 128.4 65.5 50.8 18.2 3.0 5.9 -18.1 29 385 A K T <4 S+ 0 0 158 -3,-1.3 2,-0.4 1,-0.2 -1,-0.2 0.659 80.1 65.2-130.7 -51.4 1.0 7.1 -15.0 30 386 A D E < S-B 26 0A 76 -4,-1.7 -4,-2.3 1,-0.0 2,-0.2 -0.720 72.9-123.8 -97.0 131.0 2.4 6.0 -11.6 31 387 A K E +B 25 0A 107 -2,-0.4 50,-0.7 -6,-0.2 2,-0.3 -0.492 39.8 169.8 -63.9 128.1 5.7 6.9 -10.1 32 388 A V E -BC 24 80A 0 -8,-2.6 -8,-2.8 -2,-0.2 2,-0.5 -0.945 33.2-126.1-135.2 158.9 7.8 3.9 -9.3 33 389 A A E -BC 23 79A 15 46,-2.2 46,-3.3 -2,-0.3 2,-0.6 -0.935 25.3-157.4-104.5 131.1 11.4 3.3 -8.2 34 390 A I E -BC 22 78A 0 -12,-3.0 -12,-2.6 -2,-0.5 2,-0.6 -0.941 4.3-155.9-115.4 118.6 13.3 0.8 -10.4 35 391 A K E -BC 21 77A 30 42,-2.7 42,-2.2 -2,-0.6 2,-0.7 -0.833 6.9-155.6 -88.4 122.7 16.3 -1.1 -9.1 36 392 A T E - C 0 76A 25 -16,-3.1 2,-0.7 -2,-0.6 -16,-0.4 -0.910 17.1-137.5 -97.7 114.7 18.6 -2.2 -11.9 37 393 A I - 0 0 2 38,-2.1 38,-0.2 -2,-0.7 -18,-0.2 -0.643 18.5-137.5 -81.8 114.4 20.5 -5.2 -10.6 38 394 A R >> - 0 0 140 -20,-3.7 3,-1.6 -2,-0.7 4,-0.7 -0.300 28.8 -88.5 -70.2 150.3 24.2 -5.0 -11.6 39 395 A E T 34 S+ 0 0 180 1,-0.2 -1,-0.1 2,-0.2 0, 0.0 -0.345 111.6 12.4 -57.4 132.7 26.2 -8.0 -12.8 40 396 A G T 34 S+ 0 0 66 2,-0.3 -1,-0.2 -3,-0.1 112,-0.1 0.370 105.5 93.7 81.5 -4.6 27.9 -10.0 -10.1 41 397 A A T <4 S+ 0 0 10 -3,-1.6 111,-2.1 -23,-0.2 112,-0.4 0.892 80.8 45.5 -84.4 -44.4 25.9 -8.2 -7.3 42 398 A M B < S-E 151 0B 14 -4,-0.7 2,-1.2 109,-0.2 -2,-0.3 -0.736 71.9-128.6-106.4 149.2 23.0 -10.7 -6.9 43 399 A S > - 0 0 26 107,-1.8 4,-1.6 -2,-0.3 5,-0.1 -0.815 44.1-172.0 -82.9 91.3 22.5 -14.4 -6.6 44 400 A E H > + 0 0 78 -2,-1.2 4,-2.3 1,-0.2 3,-0.2 0.906 69.0 41.6 -66.3 -55.4 20.0 -14.1 -9.4 45 401 A E H > S+ 0 0 154 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.837 114.5 54.4 -65.0 -32.6 18.2 -17.5 -9.8 46 402 A D H > S+ 0 0 68 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.845 110.2 46.7 -68.2 -36.3 18.0 -17.8 -6.0 47 403 A F H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.896 104.0 59.4 -71.0 -42.4 16.3 -14.5 -5.7 48 404 A I H < S+ 0 0 52 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.768 106.5 52.1 -60.3 -24.6 13.8 -15.2 -8.5 49 405 A E H >< S+ 0 0 121 -4,-0.9 3,-0.8 -5,-0.2 4,-0.4 0.959 114.2 39.3 -66.5 -57.4 12.8 -18.1 -6.3 50 406 A E H 3X S+ 0 0 67 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.506 96.6 84.2 -75.1 -6.4 12.2 -16.0 -3.2 51 407 A A H 3X S+ 0 0 1 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.878 84.8 56.1 -64.4 -39.6 10.7 -13.1 -5.2 52 408 A E H <> S+ 0 0 94 -3,-0.8 4,-1.4 -4,-0.4 -1,-0.2 0.887 112.3 40.8 -61.4 -43.6 7.2 -14.7 -5.2 53 409 A V H > S+ 0 0 84 -4,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.910 112.6 54.8 -72.4 -45.3 7.1 -14.9 -1.4 54 410 A M H < S+ 0 0 16 -4,-2.3 3,-0.3 1,-0.2 11,-0.2 0.873 109.1 48.6 -53.3 -43.5 8.7 -11.5 -0.9 55 411 A M H < S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.882 106.0 57.5 -64.6 -39.1 5.9 -10.0 -3.1 56 412 A K H < S+ 0 0 166 -4,-1.4 2,-0.6 -5,-0.2 -1,-0.2 0.703 86.1 92.0 -67.0 -22.0 3.3 -11.9 -1.1 57 413 A L < + 0 0 18 -4,-1.2 2,-0.4 -3,-0.3 8,-0.3 -0.689 60.3 171.8 -72.9 118.1 4.6 -10.1 2.1 58 414 A S + 0 0 75 -2,-0.6 5,-0.1 6,-0.1 -3,-0.0 -0.992 10.4 144.8-139.0 127.2 2.4 -7.0 2.3 59 415 A H > - 0 0 46 -2,-0.4 3,-2.1 3,-0.4 54,-0.0 -0.962 52.1-120.6-159.1 141.8 2.2 -4.4 5.0 60 416 A P T 3 S+ 0 0 87 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.685 115.3 51.3 -60.5 -16.6 1.6 -0.6 5.1 61 417 A K T 3 S+ 0 0 30 80,-0.1 81,-2.9 51,-0.1 2,-0.4 0.169 97.6 78.8-107.8 16.6 5.0 -0.2 6.9 62 418 A L B < S-f 142 0C 2 -3,-2.1 -3,-0.4 79,-0.3 2,-0.3 -0.991 89.8-113.6-117.6 133.3 7.0 -2.3 4.4 63 419 A V - 0 0 7 79,-2.4 2,-0.4 -2,-0.4 81,-0.2 -0.509 42.0-123.5 -61.2 120.3 8.0 -0.8 1.0 64 420 A Q - 0 0 32 -2,-0.3 16,-2.2 -4,-0.1 2,-0.8 -0.564 10.0-145.2 -77.8 127.0 6.0 -2.8 -1.5 65 421 A L E -D 79 0A 8 -2,-0.4 14,-0.2 -8,-0.3 3,-0.1 -0.845 16.5-170.4 -83.2 108.9 7.8 -4.7 -4.2 66 422 A Y E - 0 0 100 12,-2.2 2,-0.3 -2,-0.8 13,-0.2 0.780 54.7 -45.1 -75.0 -31.3 5.2 -4.3 -7.0 67 423 A G E -D 78 0A 2 11,-1.3 11,-2.8 -3,-0.1 2,-0.4 -0.963 49.2-102.3 174.8 172.1 6.9 -6.7 -9.4 68 424 A V E -D 77 0A 6 -2,-0.3 -66,-2.5 9,-0.2 2,-0.9 -0.954 18.4-145.1-118.6 133.7 10.0 -8.1 -11.1 69 425 A C E +D 76 0A 0 7,-3.1 7,-2.1 -2,-0.4 3,-0.2 -0.861 34.2 156.9 -98.4 103.0 11.0 -7.3 -14.7 70 426 A L + 0 0 57 -2,-0.9 2,-1.5 -68,-0.3 -1,-0.2 0.664 48.1 87.4-100.7 -23.7 12.6 -10.6 -15.8 71 427 A E S S+ 0 0 133 -69,-0.4 2,-0.3 2,-0.0 -1,-0.2 -0.080 92.0 47.2 -77.1 38.6 12.3 -10.4 -19.6 72 428 A Q S S- 0 0 60 -2,-1.5 4,-0.1 -3,-0.2 -3,-0.0 -0.970 86.2 -92.9-168.0 154.9 15.6 -8.5 -19.9 73 429 A A S S+ 0 0 98 -2,-0.3 2,-0.1 1,-0.2 -3,-0.1 -0.997 109.7 38.2-117.1 126.6 19.2 -8.4 -18.7 74 430 A P S S- 0 0 59 0, 0.0 -1,-0.2 0, 0.0 -36,-0.1 0.553 98.0-135.8 -78.2 152.7 19.9 -6.8 -16.4 75 431 A I - 0 0 6 -38,-0.2 -38,-2.1 -2,-0.1 2,-0.3 -0.373 18.3-144.2 -74.2 154.0 16.7 -7.7 -14.4 76 432 A C E -CD 36 69A 1 -7,-2.1 -7,-3.1 -40,-0.2 2,-0.5 -0.910 8.7-148.3-124.2 146.6 14.8 -5.0 -12.6 77 433 A L E -CD 35 68A 0 -42,-2.2 -42,-2.7 -2,-0.3 2,-0.6 -0.965 16.9-148.0-111.3 131.5 12.8 -4.7 -9.4 78 434 A V E -CD 34 67A 0 -11,-2.8 -12,-2.2 -2,-0.5 -11,-1.3 -0.879 21.9-177.1-106.9 120.9 9.9 -2.3 -9.3 79 435 A F E -CD 33 65A 17 -46,-3.3 -46,-2.2 -2,-0.6 -14,-0.2 -0.784 36.2 -92.6-117.7 154.9 9.1 -0.6 -6.0 80 436 A E E -C 32 0A 31 -16,-2.2 2,-0.6 -2,-0.3 -48,-0.2 -0.446 53.1-113.5 -50.1 126.5 6.6 1.8 -4.5 81 437 A F - 0 0 59 -50,-0.7 2,-0.7 -2,-0.2 -1,-0.1 -0.636 25.5-156.2 -76.8 119.3 8.1 5.3 -4.9 82 438 A M > - 0 0 12 -2,-0.6 3,-1.6 1,-0.1 52,-0.2 -0.876 6.0-151.7 -99.5 111.8 9.0 6.8 -1.5 83 439 A E T 3 S+ 0 0 94 -2,-0.7 52,-0.2 1,-0.3 -1,-0.1 0.651 88.2 42.7 -64.6 -22.4 9.0 10.5 -1.9 84 440 A H T 3 S- 0 0 80 50,-2.7 -1,-0.3 1,-0.3 51,-0.2 0.273 96.5-142.6-111.4 13.5 11.6 11.4 0.8 85 441 A G < + 0 0 32 -3,-1.6 49,-3.1 49,-0.4 -1,-0.3 -0.214 55.6 4.1 68.7-151.7 14.2 8.7 0.2 86 442 A C B > -G 133 0C 38 47,-0.2 4,-2.4 1,-0.1 47,-0.3 -0.410 60.6-132.5 -75.7 143.4 16.2 6.9 2.9 87 443 A L H > S+ 0 0 0 45,-3.2 4,-3.1 42,-0.8 5,-0.2 0.886 105.8 58.8 -61.6 -41.6 15.5 7.6 6.6 88 444 A S H > S+ 0 0 5 41,-0.9 4,-1.6 44,-0.4 -1,-0.2 0.924 111.8 40.3 -50.9 -51.0 19.2 8.0 7.3 89 445 A D H > S+ 0 0 90 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.896 114.7 53.4 -64.5 -43.3 19.5 10.8 4.8 90 446 A Y H X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.892 107.1 50.2 -63.0 -43.6 16.1 12.3 5.8 91 447 A L H < S+ 0 0 0 -4,-3.1 4,-0.2 2,-0.2 -1,-0.2 0.910 113.9 45.3 -60.0 -45.3 17.1 12.5 9.5 92 448 A R H >< S+ 0 0 99 -4,-1.6 3,-0.6 -5,-0.2 -2,-0.2 0.889 114.1 48.5 -67.3 -42.3 20.4 14.2 8.7 93 449 A T H 3< S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.908 119.4 37.9 -63.1 -44.6 18.7 16.7 6.3 94 450 A Q T >< S+ 0 0 60 -4,-2.4 3,-2.4 -5,-0.2 4,-0.3 0.276 83.5 146.5 -93.8 8.7 15.9 17.6 8.7 95 451 A R T < + 0 0 120 -3,-0.6 -3,-0.1 1,-0.3 103,-0.0 -0.213 67.5 27.4 -49.5 129.3 18.1 17.6 11.8 96 452 A G T 3 S+ 0 0 67 2,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.176 104.9 80.7 101.2 -14.5 16.8 20.2 14.3 97 453 A L < + 0 0 129 -3,-2.4 2,-0.4 2,-0.1 -2,-0.2 0.479 68.7 103.9 -99.2 -4.1 13.2 20.1 13.0 98 454 A F - 0 0 17 -4,-0.3 2,-0.2 -7,-0.1 -2,-0.1 -0.683 54.5-152.2 -94.6 128.0 12.1 16.9 14.9 99 455 A A >> - 0 0 43 -2,-0.4 4,-2.0 1,-0.1 3,-0.6 -0.629 32.6-114.4 -82.5 149.6 9.9 16.8 18.0 100 456 A A H 3> S+ 0 0 44 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.879 116.5 56.7 -52.3 -40.4 10.4 13.7 20.3 101 457 A E H 3> S+ 0 0 157 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.867 105.5 49.7 -61.3 -40.1 6.9 12.5 19.4 102 458 A T H <> S+ 0 0 45 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.920 111.2 49.7 -63.3 -44.9 7.6 12.5 15.7 103 459 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.870 110.5 49.6 -62.9 -39.6 10.8 10.5 16.3 104 460 A L H X S+ 0 0 26 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.916 106.5 56.8 -63.8 -43.5 8.9 8.0 18.4 105 461 A G H X S+ 0 0 26 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.838 104.8 52.5 -52.8 -38.5 6.3 7.7 15.6 106 462 A M H X S+ 0 0 2 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.898 109.0 48.2 -65.8 -42.9 9.1 6.7 13.2 107 463 A C H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.892 110.4 52.9 -63.6 -40.9 10.3 4.0 15.6 108 464 A L H X S+ 0 0 43 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.912 106.9 52.1 -58.3 -46.9 6.6 2.8 15.9 109 465 A D H X S+ 0 0 24 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.945 112.7 44.4 -54.7 -53.0 6.3 2.6 12.1 110 466 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.899 111.7 53.3 -60.3 -44.3 9.5 0.5 11.8 111 467 A C H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.847 106.9 52.0 -61.7 -36.6 8.4 -1.7 14.7 112 468 A E H X S+ 0 0 51 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.932 111.2 47.3 -64.5 -46.2 5.0 -2.4 13.1 113 469 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 -52,-0.2 -2,-0.2 0.913 115.1 45.8 -58.5 -45.6 6.8 -3.5 9.9 114 470 A M H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.880 107.0 57.1 -69.0 -39.2 9.2 -5.7 11.8 115 471 A A H X S+ 0 0 14 -4,-2.8 4,-2.2 134,-0.2 -1,-0.2 0.899 108.3 49.4 -54.7 -41.9 6.4 -7.2 14.0 116 472 A Y H X S+ 0 0 67 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.927 112.3 46.2 -63.2 -47.5 4.8 -8.3 10.7 117 473 A L H <>S+ 0 0 0 -4,-1.9 5,-2.6 2,-0.2 -2,-0.2 0.895 112.1 50.7 -62.5 -42.8 8.0 -9.8 9.4 118 474 A E H ><5S+ 0 0 34 -4,-3.0 3,-1.5 1,-0.2 -1,-0.2 0.917 110.6 49.6 -59.9 -45.1 8.7 -11.6 12.7 119 475 A E H 3<5S+ 0 0 161 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.872 110.8 50.8 -60.1 -38.3 5.1 -13.0 12.6 120 476 A A T 3<5S- 0 0 38 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.244 117.8-113.2 -86.4 11.3 5.8 -14.1 9.0 121 477 A S T < 5S+ 0 0 112 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.904 70.0 140.6 56.1 46.2 9.1 -15.9 10.0 122 478 A V < - 0 0 27 -5,-2.6 2,-0.5 -8,-0.2 -1,-0.2 -0.984 40.3-154.4-122.0 123.8 11.2 -13.4 8.0 123 479 A I - 0 0 40 -2,-0.5 58,-0.1 1,-0.2 23,-0.1 -0.847 4.5-156.3 -95.3 130.1 14.6 -12.1 9.3 124 480 A H - 0 0 0 -2,-0.5 22,-2.2 21,-0.2 24,-0.4 0.965 14.1-168.0 -66.8 -53.4 15.7 -8.8 7.9 125 481 A R S S+ 0 0 75 55,-0.2 -1,-0.1 20,-0.1 20,-0.1 0.033 76.1 45.6 86.1 -22.3 19.4 -9.4 8.6 126 482 A D S S+ 0 0 13 18,-0.1 2,-0.5 2,-0.1 5,-0.1 -0.284 70.1 167.3-144.7 53.0 20.4 -5.7 7.9 127 483 A L + 0 0 0 41,-0.1 2,-0.3 3,-0.1 64,-0.1 -0.611 22.0 129.6 -76.3 121.9 17.9 -3.5 9.8 128 484 A A S > S- 0 0 0 -2,-0.5 3,-1.6 62,-0.1 -41,-0.1 -0.964 71.7 -97.0-162.8 161.6 19.2 0.1 9.9 129 485 A A G > S+ 0 0 0 -2,-0.3 3,-1.9 1,-0.3 -41,-0.9 0.870 120.2 62.2 -55.6 -37.2 18.0 3.6 9.1 130 486 A R G 3 S+ 0 0 77 1,-0.3 -1,-0.3 -43,-0.2 -41,-0.1 0.688 102.9 51.4 -62.5 -20.0 19.7 3.4 5.7 131 487 A N G < S+ 0 0 22 -3,-1.6 12,-2.0 -5,-0.1 2,-0.4 0.242 96.6 82.1-103.4 9.8 17.4 0.5 4.8 132 488 A C E < - H 0 142C 0 -3,-1.9 -45,-3.2 10,-0.2 -44,-0.4 -0.906 67.2-150.1-111.4 144.6 14.2 2.4 5.8 133 489 A L E -GH 86 141C 36 8,-2.8 8,-2.4 -2,-0.4 2,-0.5 -0.833 7.5-131.6-118.4 156.6 12.5 4.8 3.4 134 490 A V E + H 0 140C 0 -49,-3.1 -50,-2.7 -2,-0.3 -49,-0.4 -0.902 32.5 163.8-113.0 127.7 10.4 7.9 4.0 135 491 A G > - 0 0 4 4,-2.6 3,-1.2 -2,-0.5 2,-0.1 -0.092 45.0 -12.3-118.7-146.4 7.0 8.4 2.2 136 492 A E G > S+ 0 0 134 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 -0.369 128.1 2.3 -64.2 132.1 3.9 10.5 2.4 137 493 A N G 3 S- 0 0 153 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.0 0.829 128.5 -65.7 59.9 37.4 3.4 12.5 5.7 138 494 A Q G < S+ 0 0 63 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.683 85.2 163.6 60.4 21.4 6.8 11.3 7.1 139 495 A V < - 0 0 32 -3,-1.2 -4,-2.6 -4,-0.1 2,-0.4 -0.467 29.4-139.6 -65.3 139.6 5.6 7.6 7.2 140 496 A I E - H 0 134C 0 -6,-0.2 2,-0.4 -35,-0.2 -6,-0.2 -0.896 18.7-172.5-107.6 134.8 8.5 5.2 7.6 141 497 A K E - H 0 133C 31 -8,-2.4 -8,-2.8 -2,-0.4 2,-0.3 -0.977 21.5-126.3-126.6 140.2 8.6 1.9 5.7 142 498 A V E -fH 62 132C 0 -81,-2.9 -79,-2.4 -2,-0.4 2,-0.3 -0.635 33.4-174.4 -83.2 138.5 11.1 -1.0 6.1 143 499 A S + 0 0 9 -12,-2.0 -79,-0.1 -2,-0.3 -12,-0.0 -0.863 49.2 24.8-129.7 165.6 12.8 -2.2 2.9 144 500 A D > + 0 0 32 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 0.713 67.0 178.8 58.0 29.1 15.2 -4.9 1.6 145 501 A F T 3 S+ 0 0 13 1,-0.2 -21,-0.2 2,-0.1 -1,-0.2 -0.418 70.3 3.3 -59.9 130.9 14.4 -7.4 4.3 146 502 A G T > S+ 0 0 1 -22,-2.2 3,-1.3 -2,-0.1 -1,-0.2 0.417 93.1 122.8 74.6 1.9 16.4 -10.7 3.7 147 503 A M G X + 0 0 5 -3,-1.5 3,-2.0 1,-0.3 4,-0.3 0.743 57.1 71.5 -71.6 -25.7 18.2 -9.3 0.7 148 504 A T G 3 S+ 0 0 30 -24,-0.4 3,-0.4 -4,-0.3 -1,-0.3 0.641 83.5 73.1 -67.1 -13.4 21.7 -9.8 2.0 149 505 A R G < S+ 0 0 107 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.756 102.5 42.3 -63.0 -25.8 21.1 -13.6 1.5 150 506 A F S < S+ 0 0 5 -3,-2.0 -107,-1.8 -4,-0.2 2,-0.3 0.432 86.7 113.4-104.6 -2.5 21.5 -12.8 -2.2 151 507 A V B -E 42 0B 11 -3,-0.4 -109,-0.2 -4,-0.3 -110,-0.1 -0.566 46.7-165.5 -74.2 129.9 24.5 -10.4 -2.0 152 508 A L + 0 0 88 -111,-2.1 2,-0.8 -2,-0.3 -1,-0.1 0.666 60.6 101.8 -90.4 -20.7 27.6 -11.9 -3.6 153 509 A D >> - 0 0 55 -112,-0.4 4,-1.6 1,-0.2 3,-1.1 -0.570 58.6-161.9 -66.2 107.5 30.1 -9.4 -2.1 154 510 A D H 3> S+ 0 0 104 -2,-0.8 4,-1.6 1,-0.2 7,-0.3 0.626 84.5 70.0 -69.5 -15.1 31.6 -11.5 0.7 155 511 A Q H 34 S+ 0 0 73 6,-0.2 8,-1.2 2,-0.2 9,-0.5 0.802 106.8 37.6 -71.4 -30.1 32.8 -8.3 2.4 156 512 A Y H <4 S+ 0 0 80 -3,-1.1 -2,-0.2 7,-0.2 -1,-0.1 0.885 121.8 41.6 -81.6 -45.4 29.2 -7.4 3.2 157 513 A T H < S+ 0 0 42 -4,-1.6 2,-0.3 7,-0.1 -3,-0.2 0.876 96.1 78.4 -79.1 -43.1 27.8 -10.9 4.0 158 514 A S S >< S- 0 0 41 -4,-1.6 3,-2.2 1,-0.1 6,-0.2 -0.538 76.6-134.9 -73.8 131.4 30.6 -12.5 6.1 159 515 A S T 3 S+ 0 0 27 1,-0.3 -1,-0.1 -2,-0.3 -4,-0.1 0.672 111.2 49.2 -55.8 -17.5 30.7 -11.4 9.7 160 516 A T T 3 S+ 0 0 119 -6,-0.1 -1,-0.3 3,-0.0 -5,-0.1 0.484 88.1 115.7-101.2 -9.3 34.5 -11.2 9.1 161 517 A G S X S- 0 0 5 -3,-2.2 3,-1.3 -7,-0.3 -6,-0.2 -0.258 73.4-123.6 -65.1 150.1 34.1 -9.1 5.9 162 518 A T T 3 S+ 0 0 107 1,-0.3 46,-0.1 3,-0.1 -6,-0.1 0.695 111.6 46.0 -69.0 -21.3 35.4 -5.5 5.8 163 519 A K T 3 S+ 0 0 104 -8,-1.2 -1,-0.3 -5,-0.1 -7,-0.2 0.268 80.8 134.2-103.9 8.7 32.0 -4.2 4.7 164 520 A F < - 0 0 7 -3,-1.3 2,-2.7 -9,-0.5 3,-0.2 -0.412 65.3-120.7 -65.8 130.6 30.0 -6.1 7.4 165 521 A P > + 0 0 25 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.353 49.6 158.8 -71.5 64.0 27.5 -3.9 9.2 166 522 A V G > + 0 0 6 -2,-2.7 3,-1.4 1,-0.3 8,-0.1 0.811 61.8 70.3 -56.1 -33.7 29.0 -4.5 12.6 167 523 A K G 3 S+ 0 0 20 1,-0.3 -1,-0.3 -3,-0.2 36,-0.0 0.683 108.8 32.9 -64.9 -20.8 27.4 -1.4 14.0 168 524 A W G < S+ 0 0 29 -3,-1.5 2,-0.4 2,-0.1 -1,-0.3 0.325 97.5 112.1-112.1 2.9 23.9 -2.9 13.9 169 525 A A < - 0 0 7 -3,-1.4 15,-0.1 -4,-0.4 -43,-0.0 -0.651 63.3-131.2 -89.9 130.3 24.9 -6.5 14.6 170 526 A S >> - 0 0 1 -2,-0.4 4,-2.1 13,-0.2 3,-0.9 -0.331 34.3-104.1 -66.1 157.0 24.0 -8.4 17.8 171 527 A P H 3> S+ 0 0 17 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.855 121.6 52.2 -55.8 -39.1 27.0 -10.2 19.5 172 528 A E H 3> S+ 0 0 11 69,-0.3 6,-1.7 2,-0.2 4,-1.4 0.756 110.2 50.1 -71.0 -24.6 25.8 -13.6 18.3 173 529 A V H <> S+ 0 0 5 -3,-0.9 4,-2.5 4,-0.3 -1,-0.2 0.962 112.6 42.5 -74.0 -55.1 25.7 -12.3 14.7 174 530 A F H < S+ 0 0 12 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.1 0.739 125.5 36.5 -69.3 -19.4 29.1 -10.7 14.5 175 531 A S H < S+ 0 0 54 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.790 140.0 5.7 -95.6 -35.3 30.7 -13.7 16.3 176 532 A F H < S- 0 0 137 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.2 0.339 88.1-116.4-138.6 3.3 28.8 -16.7 15.0 177 533 A S < + 0 0 60 -4,-2.5 2,-1.1 1,-0.2 -4,-0.3 0.854 55.9 160.6 56.1 38.3 26.4 -15.5 12.2 178 534 A R - 0 0 130 -6,-1.7 -1,-0.2 -8,-0.1 2,-0.2 -0.738 17.8-172.9 -94.9 89.8 23.4 -16.6 14.4 179 535 A Y + 0 0 57 -2,-1.1 2,-0.3 -3,-0.1 -56,-0.0 -0.547 16.9 140.5 -87.7 149.1 20.4 -14.7 13.0 180 536 A S >> - 0 0 36 -2,-0.2 4,-1.6 -58,-0.0 3,-0.7 -0.944 67.5 -88.6-164.1 173.4 16.9 -14.5 14.4 181 537 A S H 3> S+ 0 0 25 -2,-0.3 4,-1.3 1,-0.2 -63,-0.1 0.792 128.4 59.4 -58.9 -28.1 14.1 -12.0 14.9 182 538 A K H 3> S+ 0 0 50 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.750 101.3 51.2 -73.5 -26.3 15.9 -11.3 18.2 183 539 A S H <> S+ 0 0 2 -3,-0.7 4,-1.8 2,-0.2 -13,-0.2 0.817 107.9 52.7 -76.7 -32.1 19.1 -10.3 16.3 184 540 A D H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.831 103.7 59.3 -64.0 -33.1 16.8 -8.0 14.3 185 541 A V H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.909 103.0 50.0 -62.2 -44.1 15.7 -6.6 17.7 186 542 A W H X S+ 0 0 1 -4,-1.3 4,-1.8 2,-0.2 3,-0.3 0.957 112.0 48.5 -55.0 -51.8 19.3 -5.6 18.5 187 543 A S H X S+ 0 0 8 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.884 107.8 55.3 -55.1 -43.1 19.5 -3.9 15.1 188 544 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.865 104.2 53.9 -59.6 -39.3 16.1 -2.2 15.9 189 545 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 -3,-0.3 -1,-0.2 0.900 109.9 46.8 -59.5 -44.2 17.6 -0.8 19.1 190 546 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.903 110.5 53.0 -65.5 -42.0 20.5 0.7 17.2 191 547 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.887 106.2 53.4 -57.9 -41.1 18.0 2.1 14.6 192 548 A M H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.919 108.3 50.6 -58.3 -44.8 16.0 3.7 17.5 193 549 A W H X S+ 0 0 25 -4,-1.9 4,-2.0 1,-0.2 7,-0.2 0.925 110.0 49.9 -57.1 -47.0 19.3 5.3 18.6 194 550 A E H <>S+ 0 0 2 -4,-2.4 5,-3.3 2,-0.2 6,-0.5 0.914 112.8 47.0 -57.0 -47.2 19.8 6.6 15.0 195 551 A V H ><5S+ 0 0 0 -4,-2.6 3,-1.7 3,-0.2 -2,-0.2 0.969 115.9 42.3 -61.8 -55.3 16.3 8.0 14.9 196 552 A F H 3<5S+ 0 0 5 -4,-2.9 30,-0.6 1,-0.3 -1,-0.2 0.738 113.8 53.6 -67.0 -22.7 16.4 9.8 18.3 197 553 A S T 3<5S- 0 0 10 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.412 114.6-120.7 -85.3 -0.8 20.0 11.0 17.4 198 554 A E T < 5S- 0 0 31 -3,-1.7 -3,-0.2 1,-0.2 -103,-0.1 0.899 77.0 -37.5 58.0 44.7 18.6 12.5 14.2 199 555 A G S S+ 0 0 1 0, 0.0 3,-0.8 0, 0.0 4,-0.1 -0.274 89.3 20.3 -58.9 147.6 26.5 4.8 16.0 203 559 A Y G > S- 0 0 3 1,-0.2 3,-3.8 2,-0.1 8,-0.1 0.965 117.2 -80.8 57.4 63.7 29.9 4.2 17.8 204 560 A E G 3 S- 0 0 174 1,-0.3 -1,-0.2 -3,-0.2 3,-0.1 0.561 81.0 -71.2 20.4 37.7 31.8 7.4 16.8 205 561 A N G < S+ 0 0 111 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.693 85.8 174.0 50.6 24.7 32.5 5.6 13.4 206 562 A R < - 0 0 49 -3,-3.8 -1,-0.1 1,-0.1 -39,-0.1 -0.077 38.1 -84.9 -51.9 156.1 34.9 3.3 15.4 207 563 A S > - 0 0 52 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.193 35.6-109.0 -64.8 157.2 36.4 0.4 13.5 208 564 A N H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.911 121.3 49.1 -48.2 -48.1 34.6 -2.9 13.1 209 565 A S H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 109.2 51.5 -64.4 -39.3 37.0 -4.6 15.5 210 566 A E H > S+ 0 0 92 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.888 110.4 48.6 -66.6 -39.7 36.6 -1.8 18.1 211 567 A V H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.936 109.9 51.3 -63.7 -47.6 32.8 -2.2 18.0 212 568 A V H X S+ 0 0 47 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.930 114.5 45.3 -52.3 -45.9 33.1 -6.0 18.4 213 569 A E H X S+ 0 0 136 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.911 112.0 51.3 -64.3 -47.0 35.4 -5.3 21.4 214 570 A D H X>S+ 0 0 28 -4,-3.0 5,-2.7 2,-0.2 4,-0.7 0.944 116.9 38.6 -53.2 -57.1 33.1 -2.6 22.8 215 571 A I H ><5S+ 0 0 3 -4,-2.9 3,-0.9 3,-0.2 -2,-0.2 0.900 112.4 57.0 -65.1 -43.1 29.9 -4.8 22.7 216 572 A S H 3<5S+ 0 0 66 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.827 111.5 43.7 -57.4 -34.4 31.8 -8.0 23.7 217 573 A T H 3<5S- 0 0 121 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.545 127.8 -95.4 -90.4 -10.0 32.9 -6.3 26.9 218 574 A G T <<5 + 0 0 43 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.421 68.4 150.1 112.7 -0.4 29.5 -4.6 27.7 219 575 A F < - 0 0 56 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.3 -0.359 22.3-171.3 -62.0 141.8 29.7 -1.1 26.2 220 576 A R - 0 0 43 -2,-0.0 16,-0.0 0, 0.0 -1,-0.0 -0.985 31.7 -90.1-135.2 150.6 26.3 0.4 25.0 221 577 A L - 0 0 6 -2,-0.3 2,-0.1 1,-0.1 15,-0.0 -0.256 47.3-117.6 -55.5 138.0 25.4 3.5 23.1 222 578 A Y - 0 0 175 1,-0.1 -1,-0.1 -29,-0.0 0, 0.0 -0.324 39.8 -82.4 -75.2 162.2 24.7 6.5 25.4 223 579 A K - 0 0 89 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.489 40.1-130.5 -72.2 127.0 21.2 8.2 25.5 224 580 A P > - 0 0 12 0, 0.0 3,-1.2 0, 0.0 -27,-0.1 -0.456 24.9-114.1 -67.7 150.4 20.5 10.7 22.7 225 581 A R T 3 S+ 0 0 227 1,-0.2 -28,-0.1 -2,-0.1 -2,-0.0 0.891 113.2 50.4 -52.6 -47.2 19.1 14.0 24.0 226 582 A L T 3 S+ 0 0 54 -30,-0.6 2,-0.5 2,-0.0 -1,-0.2 0.557 90.7 93.1 -77.5 -9.7 15.6 13.6 22.4 227 583 A A S < S- 0 0 1 -3,-1.2 -127,-0.0 -31,-0.1 -34,-0.0 -0.743 74.4-133.7 -83.8 127.6 15.1 10.1 23.8 228 584 A S > - 0 0 55 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.250 27.2-102.3 -71.0 164.8 13.3 10.1 27.2 229 585 A T H > S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.915 125.9 50.7 -49.1 -45.6 14.4 8.0 30.2 230 586 A H H > S+ 0 0 89 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.931 109.0 47.9 -61.7 -50.7 11.6 5.6 29.2 231 587 A V H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 108.9 56.0 -56.2 -43.6 12.6 5.3 25.5 232 588 A Y H X S+ 0 0 49 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.858 104.5 51.5 -62.1 -36.6 16.3 4.7 26.5 233 589 A Q H X S+ 0 0 70 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.856 107.7 53.2 -69.6 -32.5 15.4 1.7 28.7 234 590 A I H X S+ 0 0 0 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.926 109.0 50.5 -61.1 -45.3 13.5 0.2 25.8 235 591 A M H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 3,-0.5 0.928 108.9 51.1 -56.1 -48.9 16.7 0.7 23.7 236 592 A N H < S+ 0 0 44 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.815 104.2 56.7 -62.9 -32.0 18.7 -1.1 26.4 237 593 A H H >< S+ 0 0 77 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.836 103.2 55.6 -66.1 -31.8 16.4 -4.0 26.5 238 594 A C H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.749 104.9 56.0 -67.6 -24.9 17.0 -4.5 22.7 239 595 A W T 3< S+ 0 0 2 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.019 71.2 139.4-104.0 26.9 20.7 -4.7 23.5 240 596 A K < - 0 0 95 -3,-1.0 6,-0.1 1,-0.1 5,-0.1 -0.478 59.3-124.8 -64.5 139.9 20.7 -7.6 26.0 241 597 A E S S+ 0 0 118 -2,-0.1 -69,-0.3 4,-0.1 -1,-0.1 0.927 96.0 57.1 -53.8 -53.5 23.7 -9.9 25.4 242 598 A R S > S- 0 0 136 1,-0.1 3,-1.6 -71,-0.1 4,-0.3 -0.691 79.3-139.7 -83.4 131.4 21.5 -13.0 25.0 243 599 A P G > S+ 0 0 19 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.821 103.3 63.1 -55.1 -32.6 18.8 -12.9 22.3 244 600 A E G 3 S+ 0 0 123 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.691 98.8 54.9 -68.7 -17.1 16.5 -14.7 24.7 245 601 A D G < S+ 0 0 81 -3,-1.6 -1,-0.3 2,-0.1 -4,-0.1 0.472 92.8 89.2 -91.9 -5.6 16.7 -11.7 27.1 246 602 A R S < S- 0 0 4 -3,-1.3 -8,-0.2 -4,-0.3 2,-0.1 -0.690 83.4-113.0 -89.6 144.7 15.6 -9.3 24.3 247 603 A P - 0 0 22 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.433 29.5-112.3 -72.8 152.5 11.9 -8.6 23.8 248 604 A A >> - 0 0 21 1,-0.1 4,-2.5 -2,-0.1 3,-0.6 -0.419 29.2-109.7 -72.1 158.5 10.1 -9.8 20.6 249 605 A F H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -134,-0.2 0.836 121.1 61.2 -56.7 -34.5 8.9 -7.1 18.1 250 606 A S H 3> S+ 0 0 38 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.874 108.6 42.3 -60.4 -38.3 5.3 -8.0 19.2 251 607 A R H <> S+ 0 0 133 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.933 112.5 52.4 -72.9 -47.5 6.2 -7.0 22.7 252 608 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.833 105.2 57.1 -54.6 -37.3 8.1 -3.8 21.6 253 609 A L H X S+ 0 0 34 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.919 106.6 47.8 -62.9 -44.3 5.1 -2.8 19.6 254 610 A R H X S+ 0 0 133 -4,-1.2 4,-1.5 -3,-0.2 -2,-0.2 0.883 114.7 48.0 -60.7 -40.7 2.9 -2.9 22.7 255 611 A Q H X S+ 0 0 64 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.924 113.2 44.7 -68.3 -46.7 5.5 -0.9 24.6 256 612 A L H < S+ 0 0 3 -4,-3.0 3,-0.4 1,-0.2 -2,-0.2 0.836 114.3 49.7 -69.0 -34.9 6.0 1.8 21.9 257 613 A A H < S+ 0 0 65 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.818 103.5 61.3 -70.3 -32.3 2.2 2.2 21.4 258 614 A A H < 0 0 88 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.710 360.0 360.0 -67.0 -21.2 1.7 2.5 25.2 259 615 A I < 0 0 93 -4,-0.7 -3,-0.0 -3,-0.4 -4,-0.0 -0.475 360.0 360.0 -68.8 360.0 3.9 5.7 25.2