==== 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 16-DEC-11 3V5L . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ITK/TSK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.R.MCLEAN,Y.ZHANG . 971 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41813.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 664 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 143 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 57 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 315 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.3 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 4 0 1 7 6 0 0 2 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 . 5 0 4 4 4 3 5 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 4 0 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 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 62 0, 0.0 65,-0.2 0, 0.0 52,-0.0 0.000 360.0 360.0 360.0 68.9 18.8 0.9 -19.8 2 356 A S - 0 0 74 1,-0.2 64,-3.0 63,-0.1 2,-0.4 0.944 360.0-162.5 55.7 62.2 15.0 0.7 -19.3 3 357 A V B -a 66 0A 112 62,-0.2 2,-0.4 64,-0.1 64,-0.2 -0.606 5.2-162.8 -78.5 125.2 14.1 4.2 -20.6 4 358 A I - 0 0 6 62,-2.8 64,-0.3 -2,-0.4 61,-0.0 -0.934 19.1-126.1-109.4 129.8 10.6 5.5 -19.6 5 359 A D > - 0 0 79 -2,-0.4 3,-1.6 62,-0.1 4,-0.3 -0.502 18.8-124.7 -71.8 140.6 9.0 8.4 -21.5 6 360 A P G > S+ 0 0 55 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.816 109.5 63.1 -57.9 -30.5 7.9 11.4 -19.2 7 361 A S G 3 S+ 0 0 98 1,-0.3 -2,-0.0 3,-0.0 -3,-0.0 0.681 93.4 63.9 -65.1 -21.9 4.3 11.2 -20.7 8 362 A E G < S+ 0 0 63 -3,-1.6 20,-2.8 20,-0.1 21,-0.5 0.576 91.7 81.8 -78.0 -13.5 4.0 7.7 -19.2 9 363 A L E < -B 27 0A 16 -3,-1.4 2,-0.5 -4,-0.3 18,-0.2 -0.801 58.4-165.7-102.1 138.4 4.3 9.1 -15.6 10 364 A T E -B 26 0A 52 16,-2.1 16,-1.9 -2,-0.4 2,-0.6 -0.988 14.6-146.0-121.7 115.0 1.5 10.6 -13.5 11 365 A F E +B 25 0A 99 -2,-0.5 14,-0.2 14,-0.2 3,-0.1 -0.765 26.6 166.1 -85.8 116.2 2.6 12.6 -10.4 12 366 A V E - 0 0 16 12,-2.3 2,-0.3 -2,-0.6 13,-0.2 0.892 57.8 -11.6 -96.1 -56.3 0.0 12.2 -7.6 13 367 A Q E -B 24 0A 15 11,-1.7 11,-3.5 0, 0.0 2,-0.3 -0.980 61.2-112.6-154.6 139.4 1.6 13.4 -4.3 14 368 A E E +B 23 0A 90 -2,-0.3 9,-0.3 9,-0.3 3,-0.1 -0.570 35.4 172.7 -71.1 126.2 5.0 14.3 -2.9 15 369 A I E - 0 0 86 7,-2.9 2,-0.3 -2,-0.3 8,-0.2 0.535 55.4 -0.2-114.2 -13.5 5.9 11.6 -0.3 16 370 A G E -B 22 0A 27 6,-1.8 6,-3.1 2,-0.0 2,-0.3 -0.987 48.3-147.1-170.6 164.7 9.5 12.6 0.7 17 371 A S E B 21 0A 102 -2,-0.3 4,-0.2 4,-0.3 6,-0.0 -0.993 360.0 360.0-143.0 139.8 12.6 14.8 0.3 18 372 A G 0 0 92 2,-1.3 3,-0.1 -2,-0.3 -1,-0.0 -0.286 360.0 360.0-146.7 360.0 16.3 14.0 0.5 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 20 375 A G 0 0 42 0, 0.0 -2,-1.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 92.2 16.3 13.7 -4.0 21 376 A L E -BC 17 37A 57 16,-1.4 16,-2.3 -4,-0.2 2,-0.4 -0.744 360.0-154.3 -91.9 133.5 12.6 14.5 -4.1 22 377 A V E -BC 16 36A 35 -6,-3.1 -7,-2.9 -2,-0.3 -6,-1.8 -0.964 11.0-174.8-118.6 129.4 10.1 11.5 -4.0 23 378 A H E -BC 14 35A 34 12,-2.7 12,-3.0 -2,-0.4 2,-0.4 -0.939 25.8-128.3-121.2 143.2 6.6 11.4 -5.4 24 379 A L E +BC 13 34A 4 -11,-3.5 -12,-2.3 -2,-0.3 -11,-1.7 -0.728 53.7 141.1 -82.5 131.8 3.8 8.7 -5.3 25 380 A G E -BC 11 33A 0 8,-2.6 8,-2.8 -2,-0.4 2,-0.4 -0.876 46.6-100.7-155.9-170.6 2.7 8.2 -8.8 26 381 A Y E -BC 10 32A 52 -16,-1.9 -16,-2.1 -2,-0.3 2,-0.5 -0.988 16.7-149.0-129.9 138.0 1.5 5.9 -11.7 27 382 A W E >> S-BC 9 31A 47 4,-2.1 4,-1.6 -2,-0.4 3,-1.5 -0.941 89.9 -7.0-107.2 125.4 3.4 4.4 -14.6 28 383 A L T 34 S- 0 0 94 -20,-2.8 -1,-0.2 -2,-0.5 -19,-0.1 0.754 120.3 -75.3 59.9 29.9 1.2 3.9 -17.8 29 384 A N T 34 S+ 0 0 137 -21,-0.5 -1,-0.3 -3,-0.2 3,-0.1 0.783 128.6 73.1 53.0 33.7 -1.8 4.8 -15.6 30 385 A K T <4 S+ 0 0 147 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.580 74.6 60.2-134.1 -67.9 -1.5 1.3 -14.0 31 386 A D E < S-C 27 0A 29 -4,-1.6 -4,-2.1 1,-0.1 -1,-0.3 -0.631 74.2-123.6 -83.0 134.7 1.4 0.6 -11.6 32 387 A K E -C 26 0A 70 -2,-0.3 47,-1.0 -6,-0.2 2,-0.3 -0.568 42.0-177.5 -71.3 125.9 1.8 2.5 -8.3 33 388 A V E -CD 25 78A 0 -8,-2.8 -8,-2.6 -2,-0.3 2,-0.7 -0.931 33.3-135.2-129.7 156.0 5.4 3.9 -8.4 34 389 A A E -CD 24 77A 13 43,-2.4 43,-2.2 -2,-0.3 2,-0.6 -0.953 28.0-155.5-110.1 102.7 7.7 5.9 -6.2 35 390 A I E -CD 23 76A 0 -12,-3.0 -12,-2.7 -2,-0.7 2,-0.7 -0.779 5.0-162.6 -85.9 118.2 9.3 8.5 -8.5 36 391 A K E -CD 22 75A 42 39,-2.6 39,-2.1 -2,-0.6 -14,-0.2 -0.878 7.2-162.3-106.6 101.0 12.7 9.8 -7.3 37 392 A T E CD 21 74A 14 -16,-2.3 -16,-1.4 -2,-0.7 37,-0.2 -0.581 360.0 360.0 -81.5 143.4 13.6 13.1 -9.0 38 393 A I 0 0 65 35,-2.4 -1,-0.1 -2,-0.2 -17,-0.1 -0.246 360.0 360.0 -63.2 360.0 17.3 14.3 -9.0 39 ! 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 40 398 A M 0 0 130 0, 0.0 2,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 145.4 24.9 14.9 -7.5 41 399 A S > - 0 0 60 1,-0.1 4,-1.2 -3,-0.0 3,-0.0 -0.289 360.0-123.7 -69.3 153.6 25.8 14.5 -11.3 42 400 A E H > S+ 0 0 103 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.873 109.4 55.2 -64.7 -40.9 23.3 13.1 -13.8 43 401 A E H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.851 107.8 47.9 -61.5 -41.8 25.7 10.3 -14.9 44 402 A D H > S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.794 108.5 55.7 -69.8 -31.9 26.1 8.9 -11.3 45 403 A F H X S+ 0 0 27 -4,-1.2 4,-0.9 2,-0.2 -2,-0.2 0.859 111.7 42.8 -67.7 -39.8 22.3 9.0 -10.8 46 404 A I H >X S+ 0 0 48 -4,-1.6 4,-2.0 2,-0.2 3,-0.5 0.922 111.9 54.1 -70.4 -49.7 21.7 6.8 -13.9 47 405 A E H 3X S+ 0 0 112 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.812 102.9 57.1 -55.6 -37.6 24.7 4.4 -13.0 48 406 A E H 3X S+ 0 0 17 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.873 110.4 44.3 -62.4 -39.6 23.2 3.8 -9.5 49 407 A A H < S+ 0 0 49 -4,-2.0 3,-1.2 93,-0.2 -2,-0.2 0.944 114.4 47.2 -65.9 -50.6 23.7 -1.4 -10.9 52 410 A M H >< S+ 0 0 8 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.803 103.6 62.1 -61.7 -36.0 20.4 -1.9 -8.9 53 411 A M T 3< S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.622 104.3 49.2 -68.6 -13.8 18.6 -3.2 -12.0 54 412 A K T < S+ 0 0 131 -3,-1.2 2,-0.6 -4,-0.4 -1,-0.3 0.239 95.0 82.0-107.5 10.1 21.0 -6.2 -12.2 55 413 A L < - 0 0 23 -3,-1.4 2,-0.7 2,-0.1 -1,-0.1 -0.923 60.9-174.2-121.3 100.4 20.8 -7.2 -8.5 56 414 A S + 0 0 86 -2,-0.6 5,-0.1 58,-0.1 6,-0.1 -0.865 21.8 136.0-105.5 106.9 17.7 -9.4 -7.9 57 415 A H > - 0 0 40 -2,-0.7 3,-1.9 3,-0.3 54,-0.1 -0.995 57.4-123.3-145.1 141.9 16.8 -10.3 -4.3 58 416 A P T 3 S+ 0 0 90 0, 0.0 53,-0.1 0, 0.0 -1,-0.0 0.713 114.3 49.6 -59.0 -19.2 13.4 -10.4 -2.4 59 417 A K T 3 S+ 0 0 31 80,-0.1 81,-2.8 2,-0.1 2,-0.4 0.043 97.0 82.0-108.6 24.4 14.9 -8.1 0.2 60 418 A L B < S-f 140 0B 1 -3,-1.9 -3,-0.3 79,-0.3 81,-0.2 -0.999 86.0-108.5-129.1 130.2 16.4 -5.5 -2.3 61 419 A V - 0 0 1 79,-2.4 2,-0.3 -2,-0.4 82,-0.1 -0.173 33.8-141.7 -57.3 145.3 14.2 -2.6 -3.8 62 420 A Q - 0 0 94 -6,-0.1 16,-2.5 -9,-0.0 2,-0.3 -0.821 3.5-142.4-113.5 153.7 13.3 -2.9 -7.5 63 421 A L E - E 0 77A 25 -2,-0.3 14,-0.3 14,-0.3 3,-0.1 -0.879 10.8-157.8-113.6 145.3 13.1 -0.3 -10.3 64 422 A Y E - 0 0 92 12,-3.3 2,-0.3 1,-0.4 13,-0.2 0.729 69.9 -73.7 -86.4 -28.8 10.6 -0.2 -13.2 65 423 A G E - E 0 76A 0 11,-1.5 11,-3.0 -61,-0.0 2,-0.4 -0.979 48.4 -73.7 161.9-168.5 13.0 2.0 -15.2 66 424 A V E -aE 3 75A 6 -64,-3.0 -62,-2.8 -2,-0.3 2,-0.7 -0.971 25.5-148.1-124.4 138.1 14.7 5.4 -15.6 67 425 A C E + E 0 74A 7 7,-3.4 7,-2.4 -2,-0.4 -62,-0.1 -0.911 34.1 152.8-111.1 102.9 13.2 8.6 -17.1 68 426 A L + 0 0 34 -2,-0.7 2,-2.6 -64,-0.3 6,-0.1 0.175 38.4 71.1 -99.4-142.5 15.9 10.7 -18.9 69 427 A E S S+ 0 0 111 -64,-0.1 2,-0.5 4,-0.0 4,-0.1 -0.321 94.9 60.4 62.5 -62.6 15.5 13.2 -21.8 70 428 A Q S S- 0 0 55 -2,-2.6 -3,-0.0 2,-0.1 0, 0.0 -0.866 94.3 -98.3-103.2 127.0 13.7 16.0 -19.8 71 429 A A S S+ 0 0 83 -2,-0.5 2,-0.1 1,-0.1 -3,-0.1 -0.623 103.9 52.7 -82.9 138.6 15.5 17.6 -16.7 72 430 A P S S- 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.384 89.3-149.5 -76.9 131.3 15.1 17.0 -13.8 73 431 A I - 0 0 10 -36,-0.1 -35,-2.4 -4,-0.1 2,-0.3 -0.285 15.9-161.1 -66.4 151.7 15.8 13.3 -14.5 74 432 A C E -DE 37 67A 6 -7,-2.4 -7,-3.4 -37,-0.2 2,-0.4 -0.983 20.6-133.8-143.1 154.1 14.2 10.6 -12.4 75 433 A L E -DE 36 66A 4 -39,-2.1 -39,-2.6 -2,-0.3 2,-0.8 -0.862 22.1-141.0-102.2 136.0 14.3 6.9 -11.3 76 434 A V E -DE 35 65A 0 -11,-3.0 -12,-3.3 -2,-0.4 -11,-1.5 -0.871 28.3-179.0-104.3 99.6 11.0 4.9 -11.4 77 435 A F E -DE 34 63A 13 -43,-2.2 -43,-2.4 -2,-0.8 -14,-0.3 -0.602 34.7 -96.0 -94.2 160.7 11.0 2.6 -8.3 78 436 A E E -D 33 0A 35 -16,-2.5 2,-0.5 -45,-0.2 -45,-0.2 -0.391 49.5-105.2 -68.0 148.3 8.4 0.1 -7.1 79 437 A F - 0 0 36 -47,-1.0 2,-0.6 -46,-0.1 -1,-0.1 -0.720 27.4-153.7 -84.4 126.5 6.0 1.6 -4.5 80 438 A M > - 0 0 15 -2,-0.5 3,-1.7 1,-0.1 52,-0.2 -0.914 9.7-144.9-103.2 111.7 6.7 0.4 -0.9 81 439 A E T 3 S+ 0 0 72 -2,-0.6 52,-0.2 1,-0.3 -1,-0.1 0.715 93.2 38.4 -44.8 -41.2 3.4 0.7 1.1 82 440 A H T 3 S- 0 0 78 50,-2.5 -1,-0.3 1,-0.3 51,-0.2 0.214 98.3-141.5-105.6 18.0 4.9 1.7 4.5 83 441 A G < - 0 0 33 -3,-1.7 49,-2.8 49,-0.4 -1,-0.3 -0.138 55.7 -0.7 60.8-153.7 7.7 4.1 3.3 84 442 A C B > -G 131 0B 27 47,-0.2 4,-2.1 1,-0.1 47,-0.3 -0.421 63.0-128.0 -74.1 143.5 11.2 4.2 4.8 85 443 A L H > S+ 0 0 0 45,-2.4 4,-2.2 42,-0.7 43,-0.2 0.854 105.6 58.5 -55.5 -43.1 12.1 2.0 7.9 86 444 A S H > S+ 0 0 8 41,-1.1 4,-1.4 44,-0.3 -1,-0.2 0.914 112.3 39.5 -55.7 -48.6 13.4 4.9 10.0 87 445 A D H > S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.884 113.3 55.7 -67.6 -42.8 10.0 6.8 9.8 88 446 A Y H X S+ 0 0 18 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.836 107.8 48.5 -59.3 -39.5 8.0 3.5 10.2 89 447 A L H < S+ 0 0 0 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.878 113.3 47.4 -68.2 -41.3 9.8 2.6 13.5 90 448 A R H >< S+ 0 0 31 -4,-1.4 3,-0.7 -5,-0.2 -2,-0.2 0.864 115.2 43.9 -68.0 -43.0 9.1 6.1 14.9 91 449 A T H 3< S+ 0 0 39 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.831 118.2 43.5 -72.9 -37.3 5.4 6.3 14.0 92 450 A Q T >< S+ 0 0 87 -4,-1.7 3,-1.7 -5,-0.2 4,-0.3 0.087 83.7 147.2 -97.0 21.0 4.6 2.7 15.2 93 451 A R T < + 0 0 21 -3,-0.7 -3,-0.1 1,-0.2 88,-0.0 -0.366 66.8 20.5 -62.9 129.8 6.7 3.0 18.4 94 452 A G T 3 S+ 0 0 67 -2,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.165 109.3 79.9 95.3 -13.6 5.3 1.0 21.3 95 453 A L S < S+ 0 0 82 -3,-1.7 2,-0.3 2,-0.1 -2,-0.2 0.462 70.8 101.3-100.0 -6.5 3.3 -1.3 19.0 96 454 A F - 0 0 20 -4,-0.3 2,-0.2 -7,-0.1 -2,-0.1 -0.635 59.5-146.1 -87.6 140.1 6.3 -3.5 18.0 97 455 A A > - 0 0 55 -2,-0.3 4,-1.6 1,-0.1 3,-0.3 -0.640 27.5-114.8 -95.1 155.2 7.0 -7.0 19.5 98 456 A A H > S+ 0 0 50 -2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.853 117.0 53.9 -58.3 -39.2 10.6 -8.2 20.0 99 457 A E H > S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.826 106.0 52.8 -64.7 -36.7 10.1 -11.0 17.3 100 458 A T H > S+ 0 0 46 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.900 108.8 49.5 -66.0 -44.2 8.9 -8.4 14.7 101 459 A L H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.857 111.0 49.4 -64.4 -37.9 12.1 -6.3 15.2 102 460 A L H X S+ 0 0 14 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.874 108.5 53.6 -68.4 -38.8 14.4 -9.3 14.8 103 461 A G H X S+ 0 0 28 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.830 105.8 53.6 -63.0 -36.3 12.5 -10.3 11.6 104 462 A M H X S+ 0 0 3 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.906 109.7 47.4 -64.2 -44.0 13.2 -6.7 10.3 105 463 A C H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.863 110.3 53.2 -64.0 -39.6 17.0 -7.2 11.0 106 464 A L H X S+ 0 0 25 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.853 106.6 52.1 -64.9 -38.1 16.8 -10.7 9.3 107 465 A D H X S+ 0 0 23 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.941 112.6 44.5 -62.8 -49.3 15.2 -9.1 6.1 108 466 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.925 112.6 52.8 -59.9 -47.0 18.0 -6.5 5.9 109 467 A C H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.812 106.4 53.3 -59.6 -35.9 20.7 -9.2 6.6 110 468 A E H X S+ 0 0 59 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.923 112.1 44.0 -64.4 -48.2 19.3 -11.4 3.7 111 469 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.880 115.5 49.0 -63.2 -40.3 19.6 -8.5 1.2 112 470 A M H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.839 106.9 54.6 -70.5 -34.5 23.1 -7.6 2.6 113 471 A A H X S+ 0 0 13 -4,-2.3 4,-1.8 119,-0.2 -1,-0.2 0.862 109.5 49.1 -66.2 -36.1 24.3 -11.3 2.4 114 472 A Y H X S+ 0 0 73 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.922 112.7 46.2 -66.8 -47.6 23.3 -11.3 -1.3 115 473 A L H <>S+ 0 0 0 -4,-1.9 5,-3.0 1,-0.2 -2,-0.2 0.862 110.3 54.8 -63.0 -37.6 25.2 -8.0 -1.9 116 474 A E H ><5S+ 0 0 31 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.895 109.0 46.5 -61.9 -45.0 28.2 -9.3 0.0 117 475 A E H 3<5S+ 0 0 177 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.772 111.8 51.5 -69.6 -27.4 28.4 -12.4 -2.3 118 476 A A T 3<5S- 0 0 48 -4,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.390 115.2-120.7 -87.1 0.7 28.0 -10.1 -5.3 119 477 A C T < 5 + 0 0 111 -3,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.834 63.1 147.0 57.9 40.7 30.9 -8.0 -3.9 120 478 A V < - 0 0 30 -5,-3.0 2,-0.5 -8,-0.1 -1,-0.2 -0.939 37.0-153.7-108.6 118.0 28.7 -4.9 -3.8 121 479 A I - 0 0 38 -2,-0.5 43,-0.1 1,-0.1 41,-0.0 -0.842 4.1-158.4 -94.5 123.6 29.4 -2.4 -0.9 122 480 A H - 0 0 0 -2,-0.5 23,-0.3 41,-0.1 -1,-0.1 0.907 11.4-169.9 -65.7 -47.4 26.4 -0.3 0.2 123 481 A R S S+ 0 0 96 40,-0.2 -1,-0.1 1,-0.1 20,-0.1 0.132 76.6 50.9 74.1 -16.6 28.5 2.5 1.8 124 482 A D + 0 0 39 18,-0.1 2,-0.4 5,-0.1 -1,-0.1 -0.181 68.1 162.9-143.3 45.2 25.4 4.1 3.4 125 483 A L + 0 0 0 26,-0.1 2,-0.3 3,-0.1 49,-0.1 -0.576 21.7 129.9 -73.5 120.5 23.4 1.3 5.2 126 484 A A S > S- 0 0 0 -2,-0.4 3,-1.9 47,-0.1 -41,-0.1 -0.945 71.8-100.0-162.3 160.2 20.9 2.9 7.7 127 485 A A G > S+ 0 0 0 1,-0.3 3,-1.4 -2,-0.3 -41,-1.1 0.810 121.6 62.0 -58.7 -31.0 17.2 2.6 8.6 128 486 A R G 3 S+ 0 0 79 1,-0.3 -1,-0.3 -43,-0.2 -3,-0.1 0.642 102.5 52.1 -67.7 -18.6 16.6 5.8 6.4 129 487 A N G < S+ 0 0 14 -3,-1.9 12,-2.8 -5,-0.1 2,-0.3 0.023 98.6 82.8-106.8 23.0 17.9 3.7 3.4 130 488 A C E < - H 0 140B 1 -3,-1.4 -45,-2.4 10,-0.2 -44,-0.3 -0.923 65.5-147.2-126.0 148.4 15.5 0.8 4.0 131 489 A L E -GH 84 139B 35 8,-3.0 8,-2.3 -2,-0.3 2,-0.5 -0.864 4.5-140.2-120.7 153.9 11.9 0.4 2.9 132 490 A V E + H 0 138B 0 -49,-2.8 -50,-2.5 -2,-0.3 -49,-0.4 -0.962 26.5 171.8-116.2 126.5 8.7 -1.3 4.4 133 491 A G > - 0 0 6 4,-2.7 3,-1.1 -2,-0.5 2,-0.1 -0.182 45.0 -31.9-111.4-157.0 6.2 -3.1 2.2 134 492 A E G > S+ 0 0 73 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 -0.422 128.0 14.0 -67.0 136.9 3.2 -5.4 2.5 135 493 A N G 3 S- 0 0 98 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.748 130.8 -71.1 63.9 32.1 3.2 -7.7 5.6 136 494 A Q G < S+ 0 0 64 -3,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.700 80.4 169.1 59.4 28.8 6.1 -5.5 7.1 137 495 A V < - 0 0 47 -3,-0.9 -4,-2.7 1,-0.0 2,-0.5 -0.534 24.5-143.4 -71.3 128.4 8.6 -6.9 4.6 138 496 A I E - H 0 132B 0 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.852 17.4-173.7-100.4 130.9 11.9 -4.9 4.7 139 497 A K E - H 0 131B 27 -8,-2.3 -8,-3.0 -2,-0.5 2,-0.3 -0.971 25.2-123.4-123.3 137.7 13.9 -4.2 1.6 140 498 A V E -fH 60 130B 0 -81,-2.8 -79,-2.4 -2,-0.4 -10,-0.2 -0.651 35.1-167.9 -78.0 130.9 17.3 -2.5 1.4 141 499 A S + 0 0 11 -12,-2.8 -12,-0.1 -2,-0.3 -79,-0.0 -0.676 56.7 31.4-115.9 171.0 17.2 0.6 -0.8 142 500 A D + 0 0 27 -2,-0.2 3,-0.5 1,-0.1 -1,-0.2 0.832 68.8 144.1 48.3 46.1 19.9 3.0 -2.5 143 501 A F + 0 0 0 -3,-0.2 -1,-0.1 1,-0.2 -18,-0.0 0.244 50.0 75.3 -96.1 11.3 22.4 0.1 -2.8 144 502 A G + 0 0 8 -24,-0.0 -1,-0.2 -93,-0.0 -93,-0.2 0.284 62.2 127.8-107.3 8.5 23.9 1.2 -6.2 145 503 A M 0 0 84 -3,-0.5 -24,-0.1 -23,-0.3 -21,-0.1 -0.361 360.0 360.0 -69.9 145.7 26.1 4.2 -5.0 146 504 A T 0 0 124 -102,-0.1 -1,-0.1 -2,-0.1 -102,-0.0 0.274 360.0 360.0-128.9 360.0 29.8 4.3 -6.0 147 ! 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 0.0 148 521 A P > 0 0 106 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 142.0 26.9 10.6 8.2 149 522 A V G > + 0 0 35 1,-0.2 3,-0.7 2,-0.2 8,-0.1 0.635 360.0 82.5 -69.1 -18.6 29.7 9.3 10.4 150 523 A K G 3 S+ 0 0 36 1,-0.3 -1,-0.2 35,-0.1 36,-0.0 0.659 101.8 35.1 -62.1 -19.9 27.1 7.8 12.9 151 524 A W G < S+ 0 0 23 -3,-1.1 2,-0.3 2,-0.1 -1,-0.3 0.410 100.1 106.8-110.3 -6.1 26.8 4.7 10.7 152 525 A A < - 0 0 12 -3,-0.7 15,-0.1 -4,-0.3 -28,-0.0 -0.570 67.5-128.4 -82.8 138.3 30.5 4.7 9.6 153 526 A S >> - 0 0 1 -2,-0.3 4,-2.2 13,-0.1 3,-1.1 -0.353 32.9-103.9 -73.4 159.7 33.0 2.1 10.9 154 527 A P H 3> S+ 0 0 23 0, 0.0 4,-1.4 0, 0.0 5,-0.3 0.870 123.4 52.5 -57.4 -36.8 36.4 3.5 12.4 155 528 A E H 3> S+ 0 0 14 69,-0.3 6,-2.3 2,-0.2 4,-1.1 0.704 111.4 48.7 -70.3 -20.2 38.3 2.5 9.2 156 529 A V H <> S+ 0 0 12 -3,-1.1 4,-1.4 4,-0.3 -1,-0.2 0.925 113.1 42.7 -83.4 -51.2 35.7 4.5 7.1 157 530 A F H < S+ 0 0 40 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.1 0.699 128.3 31.8 -69.7 -18.4 35.6 7.8 9.1 158 531 A S H < S+ 0 0 66 -4,-1.4 -3,-0.2 -5,-0.3 -1,-0.2 0.766 140.9 8.7-105.3 -37.9 39.4 7.8 9.4 159 532 A F H < S- 0 0 125 -4,-1.1 -3,-0.2 -5,-0.3 -2,-0.1 0.363 88.3-121.7-128.5 1.5 40.8 6.1 6.2 160 533 A S < + 0 0 81 -4,-1.4 2,-1.4 1,-0.2 -4,-0.3 0.791 50.1 164.5 55.8 34.9 37.7 5.7 3.9 161 534 A R - 0 0 155 -6,-2.3 2,-0.3 -8,-0.1 -1,-0.2 -0.655 16.7-170.0 -85.3 85.0 38.3 1.9 3.8 162 535 A Y + 0 0 94 -2,-1.4 2,-0.3 -3,-0.1 -41,-0.1 -0.624 21.3 136.8 -81.7 134.9 35.0 0.6 2.4 163 536 A S > - 0 0 40 -2,-0.3 4,-1.3 -43,-0.0 3,-0.4 -0.905 69.3 -89.8-158.7 178.2 34.3 -3.1 2.5 164 537 A S H > S+ 0 0 22 -2,-0.3 4,-1.2 1,-0.2 -48,-0.1 0.808 127.1 58.6 -70.1 -26.2 31.4 -5.5 3.3 165 538 A K H > S+ 0 0 56 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.764 102.4 52.2 -72.1 -26.7 32.8 -5.6 6.9 166 539 A S H > S+ 0 0 2 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.845 107.8 51.6 -75.7 -33.1 32.3 -1.8 7.0 167 540 A D H X S+ 0 0 1 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.799 103.5 60.0 -68.1 -31.2 28.7 -2.4 5.9 168 541 A V H X S+ 0 0 0 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.894 103.8 49.1 -62.9 -42.3 28.5 -4.9 8.9 169 542 A W H X S+ 0 0 1 -4,-1.2 4,-1.6 2,-0.2 3,-0.4 0.937 111.2 49.4 -60.6 -48.8 29.3 -2.1 11.3 170 543 A S H X S+ 0 0 7 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.849 108.0 54.5 -57.7 -38.6 26.5 0.0 9.6 171 544 A F H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.826 103.6 55.7 -64.0 -36.1 24.2 -3.0 10.0 172 545 A G H X S+ 0 0 0 -4,-1.6 4,-1.6 -3,-0.4 -2,-0.2 0.893 110.0 44.3 -62.5 -42.3 25.0 -3.0 13.8 173 546 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.890 113.0 52.2 -68.4 -40.0 23.9 0.6 14.0 174 547 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.895 108.1 51.4 -60.2 -44.1 20.8 -0.3 11.8 175 548 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.860 110.5 49.1 -59.1 -40.5 20.1 -3.2 14.3 176 549 A W H X S+ 0 0 2 -4,-1.6 4,-1.7 2,-0.2 7,-0.2 0.889 109.2 51.9 -66.6 -42.9 20.3 -0.6 17.1 177 550 A E H <>S+ 0 0 4 -4,-2.4 5,-3.3 2,-0.2 6,-0.5 0.879 112.9 46.0 -59.6 -43.0 17.9 1.8 15.2 178 551 A V H ><5S+ 0 0 0 -4,-2.1 3,-1.4 3,-0.2 -2,-0.2 0.954 113.9 45.4 -66.3 -55.3 15.3 -1.1 14.8 179 552 A F H 3<5S+ 0 0 4 -4,-2.3 30,-0.6 1,-0.3 -2,-0.2 0.728 114.5 48.9 -64.5 -24.0 15.5 -2.4 18.5 180 553 A S T 3<5S- 0 0 8 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.420 116.8-117.6 -92.2 -2.5 15.2 1.2 19.9 181 554 A E T < 5S- 0 0 18 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.903 77.3 -33.5 63.9 51.5 12.2 1.8 17.5 182 555 A G S - 0 0 33 -2,-0.1 3,-0.8 -4,-0.1 2,-0.2 -0.655 35.1-122.0 -75.7 121.7 18.7 8.8 16.6 185 558 A P T 3 S+ 0 0 1 0, 0.0 -35,-0.1 0, 0.0 -1,-0.1 -0.506 92.1 0.1 -69.2 133.4 22.1 7.2 17.2 186 559 A Y T > S- 0 0 14 -2,-0.2 3,-1.5 1,-0.1 8,-0.1 0.936 96.8-146.1 52.2 54.7 24.4 9.4 19.3 187 560 A E T < + 0 0 37 -3,-0.8 -1,-0.1 1,-0.2 3,-0.1 -0.222 69.7 1.4 -55.6 135.9 21.6 12.1 19.6 188 561 A N T 3 S+ 0 0 49 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.493 100.6 128.7 61.0 12.3 22.7 15.8 19.7 189 562 A R < - 0 0 49 -3,-1.5 -1,-0.2 1,-0.1 2,-0.0 -0.793 55.8-126.5 -98.8 136.7 26.4 14.8 19.4 190 563 A S > - 0 0 49 -2,-0.4 4,-2.0 -3,-0.1 5,-0.2 -0.212 27.3-103.2 -74.9 167.6 28.7 16.4 16.7 191 564 A N H > S+ 0 0 105 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.873 123.9 48.2 -58.2 -42.8 30.8 14.4 14.1 192 565 A S H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.835 109.6 54.2 -67.0 -35.8 34.0 15.0 16.1 193 566 A E H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.889 108.7 46.5 -66.3 -43.8 32.3 13.9 19.3 194 567 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.887 112.4 50.6 -67.0 -40.2 31.1 10.5 17.9 195 568 A V H X S+ 0 0 44 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.917 112.8 46.7 -61.7 -47.3 34.6 9.8 16.4 196 569 A E H X S+ 0 0 48 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.874 113.8 48.2 -63.1 -42.9 36.3 10.6 19.8 197 570 A D H X>S+ 0 0 6 -4,-2.1 5,-2.2 2,-0.2 4,-0.7 0.952 112.8 45.8 -64.1 -53.5 33.7 8.4 21.7 198 571 A I H ><5S+ 0 0 7 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.865 110.3 55.8 -58.2 -39.6 34.0 5.3 19.4 199 572 A S H 3<5S+ 0 0 83 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.836 105.5 51.2 -62.2 -36.9 37.9 5.7 19.5 200 573 A T H 3<5S- 0 0 91 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.620 130.4 -95.5 -76.3 -14.6 37.9 5.5 23.3 201 574 A G T <<5S+ 0 0 49 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.377 72.5 151.4 114.1 1.3 35.7 2.3 23.1 202 575 A F < - 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0 0 40 -2,-0.3 4,-1.3 -43,-0.0 -40,-0.2 -0.880 69.5 -86.2-157.7-177.9 -14.8 20.2 30.6 903 537 D S H > S+ 0 0 24 -2,-0.2 4,-1.3 1,-0.2 -48,-0.1 0.807 127.5 58.0 -71.0 -27.7 -12.7 22.8 28.7 904 538 D K H > S+ 0 0 55 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.769 102.9 52.0 -71.7 -27.4 -10.3 22.8 31.8 905 539 D S H > S+ 0 0 3 2,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.853 108.7 50.8 -75.1 -33.0 -9.8 19.0 31.3 906 540 D D H X S+ 0 0 1 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.810 104.0 59.8 -68.7 -31.8 -8.9 19.8 27.6 907 541 D V H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.902 103.5 49.8 -62.0 -42.9 -6.5 22.5 29.0 908 542 D W H X S+ 0 0 1 -4,-1.3 4,-1.6 1,-0.2 3,-0.2 0.926 111.0 49.6 -59.6 -47.3 -4.6 19.7 30.9 909 543 D S H X S+ 0 0 8 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.861 107.4 54.7 -59.3 -39.7 -4.5 17.7 27.6 910 544 D F H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.849 104.4 54.5 -62.6 -38.0 -3.1 20.9 25.8 911 545 D G H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.897 110.8 44.6 -60.9 -42.4 -0.3 21.0 28.4 912 546 D V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.887 112.5 52.2 -69.2 -39.7 0.6 17.4 27.5 913 547 D L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.906 107.2 53.2 -60.6 -43.8 0.2 18.3 23.7 914 548 D M H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.876 108.7 49.6 -57.3 -42.0 2.6 21.3 24.4 915 549 D W H X S+ 0 0 2 -4,-1.6 4,-1.8 2,-0.2 7,-0.2 0.899 109.7 51.0 -64.3 -42.7 5.1 18.8 25.9 916 550 D E H <>S+ 0 0 5 -4,-2.2 5,-3.1 2,-0.2 6,-0.4 0.870 113.2 46.4 -60.9 -41.4 4.7 16.5 22.8 917 551 D V H ><5S+ 0 0 0 -4,-2.3 3,-1.4 3,-0.2 -2,-0.2 0.955 115.3 43.1 -67.6 -54.2 5.4 19.6 20.5 918 552 D F H 3<5S+ 0 0 5 -4,-2.6 30,-0.6 1,-0.3 -2,-0.2 0.727 113.6 52.1 -67.6 -22.4 8.5 20.9 22.4 919 553 D S T 3<5S- 0 0 15 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.375 115.4-118.0 -92.3 3.1 9.9 17.3 22.8 920 554 D E T < 5S- 0 0 10 -3,-1.4 -3,-0.2 1,-0.2 -88,-0.1 0.888 78.1 -34.6 59.6 48.8 9.6 16.8 19.0 921 555 D G S - 0 0 27 -4,-0.1 3,-1.1 1,-0.1 2,-0.2 -0.669 34.0-118.9 -78.1 126.3 5.8 9.7 24.0 924 558 D P T 3 S+ 0 0 0 0, 0.0 3,-0.1 0, 0.0 -35,-0.1 -0.487 94.5 2.6 -69.2 137.4 4.5 11.2 27.4 925 559 D Y T 3 S- 0 0 4 1,-0.2 2,-0.3 -2,-0.2 8,-0.1 0.846 105.3-129.1 55.5 39.6 5.3 8.9 30.4 926 560 D E < - 0 0 65 -3,-1.1 -1,-0.2 1,-0.3 3,-0.1 -0.476 70.0 -22.0 -66.1 122.7 7.2 6.5 28.0 927 561 D N S S+ 0 0 79 -2,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 -0.945 95.8 135.9-111.6 12.0 6.3 3.7 28.3 928 562 D R - 0 0 59 1,-0.1 -1,-0.1 4,-0.1 5,-0.1 0.353 54.4-106.4 -24.2 134.8 4.8 3.5 31.9 929 563 D S > - 0 0 60 1,-0.1 4,-1.6 -3,-0.1 3,-0.5 -0.120 32.6-102.0 -63.9 161.4 1.5 1.7 32.7 930 564 D N H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.845 123.3 52.0 -53.2 -41.7 -1.8 3.5 33.4 931 565 D S H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.834 106.7 54.2 -65.3 -37.1 -1.4 2.9 37.2 932 566 D E H > S+ 0 0 77 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.876 110.3 43.9 -67.0 -42.9 2.2 4.4 37.2 933 567 D V H X S+ 0 0 2 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.922 113.6 51.5 -69.0 -42.3 1.2 7.8 35.6 934 568 D V H X S+ 0 0 43 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.920 112.3 47.2 -57.3 -47.7 -1.9 8.0 37.9 935 569 D E H X S+ 0 0 49 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.886 113.6 47.6 -61.0 -44.6 0.4 7.4 40.9 936 570 D D H <>S+ 0 0 25 -4,-2.0 5,-2.3 2,-0.2 -2,-0.2 0.918 115.7 44.0 -63.9 -46.6 2.9 10.0 39.6 937 571 D I H ><5S+ 0 0 7 -4,-3.0 3,-1.3 1,-0.2 -2,-0.2 0.909 113.6 50.9 -64.9 -44.5 0.2 12.7 39.0 938 572 D S H 3<5S+ 0 0 53 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.786 107.1 54.1 -64.6 -30.7 -1.6 11.9 42.3 939 573 D T T 3<5S- 0 0 15 -4,-1.6 -239,-0.4 -5,-0.2 -1,-0.3 0.459 124.0-106.1 -82.1 -2.4 1.8 12.3 44.2 940 574 D G T < 5S+ 0 0 12 -3,-1.3 -3,-0.2 1,-0.3 2,-0.1 0.436 71.4 144.2 92.1 3.2 2.2 15.8 42.6 941 575 D F < - 0 0 16 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.474 28.7-165.0 -74.3 145.0 4.9 14.8 40.1 942 576 D R B -Y 698 0G 19 -244,-1.4 -244,-2.2 -2,-0.1 16,-0.1 -0.956 30.7 -81.4-132.1 151.4 4.9 16.5 36.6 943 577 D L - 0 0 0 -2,-0.3 -247,-0.1 -246,-0.2 -245,-0.1 -0.098 53.5-103.3 -49.6 142.0 6.6 15.8 33.3 944 578 D Y - 0 0 13 -249,-0.3 -247,-0.1 1,-0.1 -1,-0.1 -0.182 40.8 -92.3 -64.9 159.9 10.2 17.0 32.9 945 579 D K - 0 0 27 -238,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.655 39.6-127.2 -78.1 121.0 11.1 20.1 30.8 946 580 D P > - 0 0 4 0, 0.0 3,-1.6 0, 0.0 -27,-0.1 -0.418 22.9-114.2 -67.7 145.1 11.9 19.3 27.2 947 581 D R T 3 S+ 0 0 142 1,-0.3 -28,-0.1 -254,-0.1 -2,-0.0 0.826 115.2 48.4 -44.3 -47.1 15.3 20.8 25.9 948 582 D L T 3 S+ 0 0 58 -30,-0.6 2,-0.4 2,-0.0 -1,-0.3 0.633 93.1 92.9 -74.5 -16.3 13.6 23.2 23.4 949 583 D A S < S- 0 0 1 -3,-1.6 2,-0.0 -31,-0.1 -112,-0.0 -0.686 70.5-140.4 -84.3 127.1 11.1 24.5 25.9 950 584 D S > - 0 0 44 -2,-0.4 4,-2.6 35,-0.1 5,-0.2 -0.244 29.7-100.0 -76.2 170.5 12.1 27.7 27.8 951 585 D T H > S+ 0 0 22 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.897 126.2 48.8 -57.7 -42.7 11.4 28.3 31.6 952 586 D H H > S+ 0 0 101 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.859 111.1 49.0 -65.5 -40.3 8.4 30.5 30.6 953 587 D V H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.919 112.5 48.9 -64.9 -44.1 7.0 27.8 28.2 954 588 D Y H X S+ 0 0 4 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.818 106.4 56.7 -64.7 -33.4 7.4 25.1 31.0 955 589 D Q H X S+ 0 0 45 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.887 106.9 49.1 -63.5 -41.9 5.6 27.5 33.4 956 590 D I H X S+ 0 0 7 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.905 108.7 53.2 -63.7 -43.7 2.6 27.5 31.0 957 591 D M H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.914 110.5 47.5 -57.0 -46.0 2.7 23.7 30.8 958 592 D N H < S+ 0 0 18 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.786 106.2 57.0 -67.6 -29.4 2.6 23.5 34.6 959 593 D H H >< S+ 0 0 67 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.869 108.0 48.3 -67.3 -37.4 -0.3 26.0 34.7 960 594 D C H 3< S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.775 108.7 57.1 -68.9 -30.3 -2.2 23.5 32.5 961 595 D W T 3< S+ 0 0 2 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.069 73.9 137.2 -92.9 23.3 -1.2 20.7 34.9 962 596 D K < - 0 0 72 -3,-1.0 6,-0.1 1,-0.1 -54,-0.1 -0.464 59.6-126.8 -71.1 140.3 -2.7 22.3 38.1 963 597 D E S S+ 0 0 138 -2,-0.1 -69,-0.3 -71,-0.1 -1,-0.1 0.895 95.0 56.9 -52.6 -50.1 -4.6 19.6 40.3 964 598 D R S >> S- 0 0 81 1,-0.1 3,-1.3 -71,-0.1 4,-0.6 -0.732 79.3-139.7 -89.0 131.8 -7.9 21.6 40.4 965 599 D P G >4 S+ 0 0 34 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.837 102.7 60.7 -59.0 -32.2 -9.5 22.6 37.1 966 600 D E G 34 S+ 0 0 125 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.716 99.9 55.7 -65.3 -25.3 -10.4 26.1 38.5 967 601 D D G <4 S+ 0 0 91 -3,-1.3 -1,-0.2 2,-0.1 -4,-0.1 0.616 91.4 90.9 -82.0 -16.0 -6.7 26.8 39.0 968 602 D R S << S- 0 0 3 -3,-1.0 -8,-0.2 -4,-0.6 2,-0.1 -0.580 83.9-114.1 -79.8 141.4 -5.9 26.1 35.3 969 603 D P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.448 30.1-109.0 -76.5 152.5 -6.1 29.0 32.8 970 604 D A > - 0 0 26 -2,-0.1 4,-3.1 1,-0.1 3,-0.4 -0.380 26.9-113.3 -72.3 156.1 -8.8 29.2 30.1 971 605 D F H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -119,-0.2 0.871 120.6 57.3 -57.7 -37.3 -7.8 28.6 26.4 972 606 D S H > S+ 0 0 52 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.852 113.0 39.5 -59.9 -38.9 -8.7 32.3 25.8 973 607 D R H > S+ 0 0 160 -3,-0.4 4,-1.8 2,-0.2 3,-0.4 0.907 113.2 55.1 -76.2 -45.4 -6.2 33.3 28.5 974 608 D L H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.828 102.3 58.8 -54.4 -40.1 -3.6 30.7 27.4 975 609 D L H X S+ 0 0 26 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.890 108.9 42.3 -58.8 -46.0 -3.7 32.1 23.9 976 610 D R H X S+ 0 0 159 -4,-0.8 4,-1.6 -3,-0.4 -1,-0.2 0.818 113.0 53.9 -72.7 -32.5 -2.6 35.6 25.0 977 611 D Q H X S+ 0 0 46 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.919 111.1 45.0 -66.4 -45.9 0.1 34.1 27.5 978 612 D L H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-0.2 0.877 111.3 53.9 -65.2 -39.6 1.7 32.1 24.6 979 613 D A H X S+ 0 0 48 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.835 105.7 53.6 -62.7 -36.9 1.6 35.2 22.3 980 614 D E H X S+ 0 0 80 -4,-1.6 4,-2.1 1,-0.2 3,-0.3 0.823 105.2 53.6 -67.1 -35.7 3.4 37.3 24.9 981 615 D I H X S+ 0 0 21 -4,-1.2 4,-2.8 1,-0.2 -1,-0.2 0.834 102.0 59.4 -68.6 -34.3 6.3 34.6 25.1 982 616 D A H < S+ 0 0 64 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.802 112.3 39.2 -63.0 -33.3 6.7 34.9 21.3 983 617 D E H < S+ 0 0 94 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.861 121.4 41.4 -84.3 -43.0 7.5 38.6 21.6 984 618 D S H < 0 0 92 -4,-2.1 -2,-0.2 1,-0.1 -3,-0.2 0.863 360.0 360.0 -73.7 -41.2 9.6 38.5 24.9 985 619 D G < 0 0 77 -4,-2.8 -35,-0.1 -5,-0.2 -4,-0.1 -0.362 360.0 360.0 116.8 360.0 11.6 35.3 23.9