==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-APR-12 4ESQ . COMPND 2 MOLECULE: SERINE/THREONINE PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.CAVAZOS,D.M.PRIGOZHIN,T.ALBER . 194 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9814.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 29.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 6 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 2 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 0 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 2 1 0 0 2 0 1 2 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 0 0 0 0 0 0 0 1 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 1 433 A G 0 0 118 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.0 -22.1 31.6 36.1 2 434 A H + 0 0 185 2,-0.0 0, 0.0 161,-0.0 0, 0.0 0.206 360.0 130.4-120.8 13.0 -21.6 28.0 37.2 3 435 A Q - 0 0 168 1,-0.1 3,-0.1 160,-0.0 2,-0.0 -0.389 57.2-116.4 -72.8 146.2 -20.6 26.5 33.9 4 436 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.302 36.5 -92.5 -74.2 161.9 -17.5 24.2 33.7 5 437 A V - 0 0 8 88,-0.1 2,-0.1 1,-0.1 88,-0.1 -0.626 44.7-118.7 -74.8 133.1 -14.4 25.1 31.7 6 438 A A > - 0 0 39 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.470 13.6-124.6 -71.9 143.8 -14.6 23.7 28.1 7 439 A E G > S+ 0 0 105 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.851 111.3 60.1 -52.5 -37.0 -11.9 21.2 27.1 8 440 A E G 3 S+ 0 0 160 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.562 99.3 56.8 -75.1 -5.4 -11.2 23.4 24.1 9 441 A R G X S+ 0 0 117 -3,-2.1 3,-0.7 1,-0.1 4,-0.3 0.369 75.1 99.7-104.2 3.5 -10.3 26.4 26.4 10 442 A L G X S+ 0 0 3 -3,-1.4 3,-2.1 -4,-0.2 4,-0.5 0.895 76.9 56.2 -58.9 -43.0 -7.6 24.6 28.4 11 443 A S G > S+ 0 0 75 1,-0.3 3,-1.0 -4,-0.3 -1,-0.2 0.806 98.2 63.3 -62.9 -27.9 -4.7 26.1 26.4 12 444 A A G < S+ 0 0 37 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.594 95.8 62.0 -71.1 -9.8 -6.0 29.6 27.2 13 445 A L G < S+ 0 0 0 -3,-2.1 -1,-0.2 -4,-0.3 177,-0.2 0.639 83.7 94.3 -90.4 -17.1 -5.3 28.9 30.9 14 446 A L S < S- 0 0 9 -3,-1.0 2,-0.3 -4,-0.5 58,-0.0 -0.267 84.6 -99.3 -73.5 163.1 -1.6 28.4 30.7 15 447 A L - 0 0 5 58,-0.1 -1,-0.1 1,-0.1 73,-0.1 -0.613 36.5-127.3 -83.3 141.0 0.9 31.2 31.3 16 448 A N > - 0 0 84 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.232 33.9 -90.8 -79.6 176.4 2.4 33.0 28.3 17 449 A S H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.875 126.6 49.4 -58.3 -40.8 6.1 33.4 27.7 18 450 A S H > S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 111.4 49.2 -63.6 -44.3 6.2 36.8 29.5 19 451 A E H > S+ 0 0 59 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.886 112.1 47.2 -64.6 -41.6 4.4 35.5 32.5 20 452 A V H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.941 113.5 48.2 -64.9 -48.6 6.7 32.4 32.8 21 453 A N H X>S+ 0 0 22 -4,-2.3 5,-2.5 -5,-0.2 4,-1.5 0.909 110.3 52.8 -54.4 -45.7 9.8 34.5 32.5 22 454 A A H <5S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.883 111.6 44.2 -63.4 -41.1 8.5 37.0 35.0 23 455 A V H <5S+ 0 0 15 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.930 117.9 44.5 -68.4 -42.0 7.9 34.4 37.7 24 456 A M H <5S- 0 0 7 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.608 110.1-114.9 -83.3 -12.7 11.1 32.5 37.1 25 457 A G T <5S+ 0 0 64 -4,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.851 75.3 119.6 80.3 35.6 13.4 35.6 36.9 26 458 A S < - 0 0 16 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.778 50.7-164.7-125.1 168.9 14.3 35.0 33.3 27 459 A S S S+ 0 0 120 -2,-0.3 -6,-0.1 -3,-0.1 -5,-0.1 0.192 88.3 48.5-131.2 9.5 14.0 36.9 30.0 28 460 A S + 0 0 62 -7,-0.1 2,-0.1 2,-0.0 48,-0.1 0.294 65.8 131.5-139.7 11.2 14.7 34.0 27.6 29 461 A M - 0 0 3 48,-0.2 48,-0.3 -12,-0.2 -8,-0.2 -0.470 36.7-163.4 -70.0 139.9 12.7 30.9 28.5 30 462 A Q E -A 76 0A 123 46,-2.3 46,-1.7 -2,-0.1 2,-0.1 -0.987 13.2-126.8-128.1 138.5 10.9 29.4 25.5 31 463 A P E -A 75 0A 48 0, 0.0 44,-0.2 0, 0.0 2,-0.1 -0.446 19.2-142.0 -76.4 152.6 8.0 27.0 25.4 32 464 A G - 0 0 47 42,-1.9 3,-0.1 1,-0.3 43,-0.0 -0.058 48.7 -47.0 -91.1-159.5 8.1 23.7 23.5 33 465 A K S S- 0 0 183 1,-0.1 41,-0.3 -2,-0.1 -1,-0.3 -0.387 74.6 -84.7 -71.6 151.4 5.3 22.1 21.6 34 466 A P - 0 0 92 0, 0.0 2,-0.5 0, 0.0 39,-0.2 -0.280 38.3-139.2 -55.4 138.2 1.8 21.8 23.2 35 467 A I B +B 72 0A 45 37,-2.8 37,-2.5 1,-0.1 3,-0.0 -0.910 30.3 165.6 -99.5 125.8 1.4 18.8 25.4 36 468 A T + 0 0 93 -2,-0.5 34,-0.4 35,-0.2 2,-0.3 0.226 54.5 49.0-130.0 11.7 -2.0 17.2 25.0 37 469 A S S S- 0 0 78 32,-0.1 2,-0.1 20,-0.0 22,-0.1 -0.967 87.1 -91.4-145.3 161.6 -1.7 13.8 26.6 38 470 A M - 0 0 14 -2,-0.3 2,-0.6 1,-0.1 20,-0.2 -0.373 46.7-106.4 -70.7 155.0 -0.5 12.3 29.9 39 471 A D B +k 58 0B 65 18,-3.0 20,-2.8 17,-0.1 -1,-0.1 -0.744 40.7 168.5 -89.8 116.0 3.1 11.1 30.0 40 472 A S + 0 0 89 -2,-0.6 -1,-0.1 18,-0.2 3,-0.1 0.194 29.8 131.3-112.3 15.2 3.4 7.3 30.0 41 473 A S S S- 0 0 51 1,-0.1 18,-0.1 81,-0.0 -2,-0.0 -0.487 70.4 -97.3 -65.1 137.6 7.2 7.2 29.4 42 474 A P + 0 0 114 0, 0.0 81,-0.4 0, 0.0 2,-0.3 -0.305 50.4 166.4 -67.1 138.3 8.4 4.7 32.0 43 475 A V - 0 0 18 79,-0.1 2,-0.5 -3,-0.1 79,-0.2 -0.977 22.4-147.7-145.9 141.5 9.9 5.9 35.3 44 476 A T E -C 121 0A 93 77,-2.3 77,-2.7 -2,-0.3 2,-0.4 -0.940 12.1-171.9-113.0 123.5 10.7 3.9 38.4 45 477 A V E -C 120 0A 8 -2,-0.5 75,-0.2 75,-0.2 6,-0.1 -0.966 28.0-133.6-116.9 132.1 10.4 5.5 41.8 46 478 A S S S+ 0 0 63 73,-2.4 -1,-0.1 -2,-0.4 74,-0.1 0.833 111.7 39.0 -54.6 -37.6 11.6 3.7 45.0 47 479 A L S > S- 0 0 67 72,-0.2 3,-2.6 1,-0.1 -1,-0.3 -0.910 88.1-158.6-106.5 100.2 8.3 4.7 46.6 48 480 A P G > S+ 0 0 93 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.787 85.1 60.1 -53.4 -34.2 6.0 4.3 43.6 49 481 A D G 3 S+ 0 0 107 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.454 90.2 71.9 -79.5 2.7 3.2 6.6 44.9 50 482 A a G <> + 0 0 3 -3,-2.6 4,-0.9 1,-0.2 -1,-0.3 0.387 68.9 96.3 -90.4 3.6 5.7 9.5 45.0 51 483 A Q H X> S+ 0 0 21 -3,-1.6 4,-2.1 1,-0.2 3,-0.8 0.920 85.9 45.6 -57.5 -45.6 5.6 9.6 41.1 52 484 A G H 34 S+ 0 0 5 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.770 106.0 60.7 -69.3 -25.3 3.0 12.4 41.2 53 485 A A H 34 S+ 0 0 0 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.681 113.2 37.9 -75.3 -16.8 5.0 14.2 43.9 54 486 A L H << S+ 0 0 4 -4,-0.9 2,-0.3 -3,-0.8 -2,-0.2 0.800 121.8 28.0 -96.2 -39.8 7.9 14.5 41.4 55 487 A Y < - 0 0 57 -4,-2.1 3,-0.4 -5,-0.2 -1,-0.2 -0.945 66.8-129.0-134.0 146.2 6.2 15.1 38.1 56 488 A T S S+ 0 0 1 -2,-0.3 -17,-0.1 1,-0.2 32,-0.1 -0.432 85.0 19.1 -82.7 164.1 3.1 16.7 36.6 57 489 A S S S+ 0 0 7 1,-0.2 -18,-3.0 -2,-0.1 2,-0.4 0.745 76.9 169.7 54.1 37.1 0.8 15.0 34.1 58 490 A Q B >> -k 39 0B 8 -3,-0.4 4,-2.3 -20,-0.2 3,-0.7 -0.675 34.0-141.7 -88.3 130.3 1.9 11.4 34.7 59 491 A D H 3> S+ 0 0 59 -20,-2.8 4,-2.4 -2,-0.4 -19,-0.2 0.907 100.5 50.7 -53.7 -50.1 -0.3 8.7 33.2 60 492 A P H 34 S+ 0 0 75 0, 0.0 -1,-0.2 0, 0.0 -20,-0.1 0.768 113.6 48.6 -62.3 -23.3 -0.0 6.2 36.2 61 493 A V H <4 S+ 0 0 21 -3,-0.7 -2,-0.2 1,-0.1 -4,-0.0 0.894 119.2 34.4 -81.6 -42.9 -1.1 9.0 38.4 62 494 A Y H >< S+ 0 0 1 -4,-2.3 3,-2.1 2,-0.1 5,-0.4 0.609 87.2 116.9 -90.5 -15.4 -4.1 10.3 36.4 63 495 A A T 3< S+ 0 0 57 -4,-2.4 -5,-0.0 -5,-0.3 -4,-0.0 -0.315 85.2 11.6 -55.5 132.1 -5.3 6.9 35.1 64 496 A G T 3 S+ 0 0 88 3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.407 95.3 109.2 83.4 -2.8 -8.7 6.1 36.4 65 497 A T S < S- 0 0 38 -3,-2.1 -2,-0.1 1,-0.0 37,-0.1 0.543 87.5-114.9 -86.1 -8.4 -9.4 9.6 37.8 66 498 A G + 0 0 34 -4,-0.3 -3,-0.1 1,-0.2 33,-0.1 0.501 56.3 159.6 90.1 5.0 -12.0 10.6 35.2 67 499 A Y - 0 0 69 -5,-0.4 26,-0.3 26,-0.1 -1,-0.2 -0.243 25.0-164.7 -59.8 149.7 -10.1 13.4 33.6 68 500 A T + 0 0 59 24,-2.9 2,-0.3 1,-0.4 25,-0.2 0.675 62.8 0.6-110.2 -24.9 -11.2 14.3 30.1 69 501 A A E - D 0 92A 21 23,-1.1 23,-2.4 2,-0.0 -1,-0.4 -0.988 53.0-156.5-163.3 153.2 -8.4 16.4 28.7 70 502 A I E - D 0 91A 8 -34,-0.4 2,-0.4 -2,-0.3 21,-0.2 -0.999 6.3-175.1-136.7 139.4 -4.9 17.8 29.5 71 503 A N E + D 0 90A 27 19,-2.5 19,-2.5 -2,-0.4 2,-0.3 -0.987 19.5 154.8-134.7 128.5 -3.0 20.8 28.1 72 504 A G E -BD 35 89A 0 -37,-2.5 -37,-2.8 -2,-0.4 2,-0.3 -0.916 25.9-153.1-146.0 172.1 0.5 21.7 29.1 73 505 A L E - D 0 88A 34 15,-2.4 15,-2.5 -2,-0.3 2,-0.5 -0.993 8.1-151.1-147.9 141.4 3.8 23.4 28.2 74 506 A I E - D 0 87A 57 -41,-0.3 -42,-1.9 -2,-0.3 2,-0.4 -0.966 22.9-176.4-113.2 129.1 7.4 22.9 29.1 75 507 A S E +AD 31 86A 4 11,-2.8 11,-2.6 -2,-0.5 2,-0.3 -0.965 13.3 143.5-128.0 144.9 9.6 26.0 29.0 76 508 A S E -AD 30 85A 26 -46,-1.7 -46,-2.3 -2,-0.4 9,-0.2 -0.974 53.7 -80.2-163.4 163.2 13.3 26.6 29.6 77 509 A E - 0 0 21 7,-0.8 5,-0.2 -2,-0.3 -48,-0.2 -0.381 65.2 -90.8 -61.0 151.3 16.2 28.8 28.4 78 510 A P S S+ 0 0 103 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.312 88.8 42.5 -61.6 151.2 17.7 27.3 25.1 79 511 A G S > S- 0 0 54 1,-0.1 3,-0.5 -3,-0.1 0, 0.0 -0.293 95.8 -74.1 102.8 174.9 20.5 24.9 25.5 80 512 A D T 3 S+ 0 0 153 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.618 121.1 51.5 -87.9 -14.9 21.4 21.9 27.7 81 513 A N T 3 S+ 0 0 152 -3,-0.2 -1,-0.2 3,-0.0 -2,-0.1 -0.317 74.3 168.9-120.5 49.6 22.3 23.9 30.9 82 514 A Y < - 0 0 77 -3,-0.5 -3,-0.1 -5,-0.2 3,-0.1 -0.267 33.6-142.6 -59.9 145.8 19.2 26.1 31.3 83 515 A E S S+ 0 0 105 1,-0.1 91,-0.6 90,-0.1 2,-0.3 0.722 83.3 32.1 -80.6 -23.3 18.9 28.0 34.6 84 516 A H E - E 0 173A 27 89,-0.2 -7,-0.8 90,-0.1 2,-0.3 -0.972 59.5-177.1-139.4 149.0 15.1 27.6 34.8 85 517 A W E -DE 76 172A 56 87,-2.0 87,-3.3 -2,-0.3 2,-0.4 -0.975 5.1-174.6-150.1 129.4 12.6 24.9 33.7 86 518 A V E -DE 75 171A 0 -11,-2.6 -11,-2.8 -2,-0.3 2,-0.5 -0.993 12.0-172.4-131.8 132.4 8.8 24.9 34.0 87 519 A N E +DE 74 170A 20 83,-3.1 83,-3.0 -2,-0.4 2,-0.4 -0.984 18.4 177.9-117.4 113.7 6.2 22.3 33.3 88 520 A Q E +DE 73 169A 0 -15,-2.5 -15,-2.4 -2,-0.5 2,-0.3 -0.966 3.5 168.0-119.2 134.9 2.7 23.8 33.6 89 521 A A E -DE 72 168A 0 79,-1.5 79,-3.0 -2,-0.4 2,-0.4 -0.996 22.5-155.8-145.4 149.8 -0.5 21.8 32.9 90 522 A V E -DE 71 167A 0 -19,-2.5 -19,-2.5 -2,-0.3 2,-0.5 -0.978 13.0-159.7-123.4 141.9 -4.2 22.1 33.3 91 523 A V E -DE 70 166A 0 75,-2.6 75,-2.8 -2,-0.4 2,-0.3 -0.979 7.8-144.3-128.1 124.5 -6.5 19.1 33.4 92 524 A A E -DE 69 165A 1 -23,-2.4 -24,-2.9 -2,-0.5 -23,-1.1 -0.677 15.8-174.9 -89.8 141.9 -10.2 19.1 32.8 93 525 A F - 0 0 1 71,-2.0 -26,-0.1 -2,-0.3 -88,-0.1 -0.855 37.8-111.9-125.6 163.2 -12.7 16.9 34.6 94 526 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 70,-0.1 0.857 97.0 11.9 -65.1 -32.6 -16.4 16.5 34.0 95 527 A T S > S- 0 0 61 69,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.925 73.4-112.7-140.8 160.7 -17.3 18.2 37.3 96 528 A A H > S+ 0 0 37 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.887 115.0 62.0 -55.9 -42.5 -15.7 20.2 40.2 97 529 A D H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 105.7 43.4 -53.5 -46.7 -16.3 17.2 42.4 98 530 A K H > S+ 0 0 103 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.887 113.7 51.4 -70.6 -38.5 -14.0 14.9 40.4 99 531 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.936 112.7 45.8 -60.5 -47.9 -11.4 17.6 40.1 100 532 A R H X S+ 0 0 117 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.894 108.1 56.6 -63.8 -39.5 -11.4 18.2 43.8 101 533 A A H X S+ 0 0 54 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.881 105.3 52.5 -60.5 -37.5 -11.3 14.5 44.6 102 534 A F H X S+ 0 0 9 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.897 109.0 48.1 -67.3 -39.9 -8.1 14.2 42.5 103 535 A V H X S+ 0 0 9 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.891 110.7 52.1 -67.2 -36.7 -6.3 17.0 44.4 104 536 A Q H X S+ 0 0 130 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.931 110.3 48.2 -63.5 -43.2 -7.4 15.4 47.7 105 537 A T H X S+ 0 0 68 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.929 110.6 51.8 -61.2 -44.6 -5.9 12.1 46.6 106 538 A S H X S+ 0 0 5 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.919 106.0 54.2 -58.5 -43.6 -2.8 13.9 45.6 107 539 A A H X S+ 0 0 6 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.914 108.0 50.5 -57.6 -42.9 -2.6 15.5 49.0 108 540 A D H X S+ 0 0 94 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.918 114.1 43.9 -59.2 -45.0 -2.7 12.0 50.6 109 541 A K H >< S+ 0 0 54 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.926 112.3 50.7 -69.0 -43.6 0.0 10.7 48.4 110 542 A W H >X S+ 0 0 5 -4,-3.2 4,-1.3 1,-0.2 3,-1.3 0.857 103.5 59.8 -64.9 -33.3 2.3 13.7 48.7 111 543 A K H 3< S+ 0 0 127 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.772 102.2 53.4 -66.6 -25.3 2.1 13.6 52.5 112 544 A N T << S+ 0 0 95 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.526 109.9 48.8 -84.0 -8.7 3.5 10.1 52.5 113 545 A a T X4 S+ 0 0 2 -3,-1.3 3,-1.4 -4,-0.4 18,-0.4 0.646 85.2 116.2 -97.4 -21.7 6.5 11.4 50.5 114 546 A A T 3< S+ 0 0 22 -4,-1.3 19,-0.2 1,-0.3 18,-0.1 -0.158 82.1 9.1 -54.6 135.9 7.2 14.4 52.7 115 547 A G T 3 S+ 0 0 56 17,-1.3 2,-0.3 16,-0.4 -1,-0.3 0.702 107.0 111.7 69.4 21.5 10.5 14.4 54.5 116 548 A K < - 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