==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 03-FEB-10 2KTL . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIDULANS FGSC A4; . AUTHOR N.S.CHARI . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11892.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 49.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 6.7 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 . 1 0.6 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 . 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 . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 6.7 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 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 454 A M 0 0 191 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -59.9 -21.4 19.7 -48.3 2 455 A P > + 0 0 114 0, 0.0 3,-0.9 0, 0.0 0, 0.0 0.909 360.0 40.3 -73.5 -43.9 -22.7 16.4 -46.7 3 456 A R T 3 S+ 0 0 240 1,-0.2 0, 0.0 2,-0.0 0, 0.0 0.768 120.3 46.3 -75.7 -26.5 -22.5 14.4 -49.9 4 457 A T T 3 S+ 0 0 102 2,-0.1 -1,-0.2 0, 0.0 0, 0.0 -0.083 86.3 146.0-105.9 32.4 -19.2 16.0 -50.9 5 458 A A < - 0 0 65 -3,-0.9 -2,-0.0 1,-0.1 0, 0.0 -0.048 55.2-109.9 -62.5 170.3 -17.6 15.7 -47.5 6 459 A S - 0 0 86 -5,-0.1 3,-0.2 0, 0.0 2,-0.1 -0.848 28.0-135.2-110.2 97.0 -13.9 15.0 -47.0 7 460 A P S S+ 0 0 129 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.273 89.0 20.4 -52.3 117.1 -13.3 11.5 -45.8 8 461 A G S S+ 0 0 81 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 0.937 83.4 171.0 86.8 56.6 -10.7 11.7 -43.0 9 462 A N - 0 0 118 -3,-0.2 -1,-0.2 1,-0.1 -4,-0.0 -0.730 28.9-117.9-100.4 149.2 -10.9 15.4 -41.9 10 463 A P - 0 0 113 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.056 32.3-100.1 -70.8-174.1 -9.2 16.9 -38.8 11 464 A K - 0 0 161 3,-0.5 4,-0.0 1,-0.1 0, 0.0 -0.359 15.1-135.2-101.5-176.5 -10.9 18.5 -35.8 12 465 A S S > S+ 0 0 110 -2,-0.1 3,-0.7 2,-0.1 -1,-0.1 0.819 98.0 28.1-103.3 -73.3 -11.5 22.1 -34.8 13 466 A S T 3 S+ 0 0 104 1,-0.3 2,-0.5 2,-0.1 4,-0.2 0.856 132.2 41.2 -59.7 -36.0 -10.7 22.7 -31.1 14 467 A L T 3 + 0 0 76 1,-0.1 -3,-0.5 2,-0.1 -1,-0.3 -0.620 68.0 145.4-114.6 71.0 -8.2 19.9 -31.3 15 468 A S S < S- 0 0 83 -3,-0.7 -1,-0.1 -2,-0.5 3,-0.1 -0.237 93.4 -40.0 -99.4 43.4 -6.5 20.4 -34.6 16 469 A G S S+ 0 0 70 -2,-0.1 2,-0.6 1,-0.1 -2,-0.1 -0.116 127.7 78.4 129.0 -36.9 -3.1 19.3 -33.4 17 470 A F - 0 0 170 -4,-0.2 2,-0.6 2,-0.0 -2,-0.3 -0.922 55.7-172.5-110.5 117.5 -2.9 20.8 -29.9 18 471 A V + 0 0 108 -2,-0.6 -4,-0.1 -4,-0.1 -5,-0.0 -0.910 30.2 127.0-113.2 108.3 -4.8 19.1 -27.1 19 472 A N - 0 0 114 -2,-0.6 -2,-0.0 6,-0.0 0, 0.0 -0.659 34.2-162.8-162.6 99.2 -4.9 20.9 -23.8 20 473 A P - 0 0 79 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.158 23.0-125.0 -68.7-167.9 -8.2 21.7 -21.9 21 474 A Q S S+ 0 0 195 1,-0.0 -2,-0.0 4,-0.0 0, 0.0 -0.119 83.3 92.0-135.9 36.8 -8.6 24.3 -19.2 22 475 A S S S- 0 0 110 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.731 97.2-107.9-100.5 -31.0 -10.0 22.2 -16.3 23 476 A G S S+ 0 0 29 4,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.239 84.3 119.3 120.5 -11.3 -6.8 21.3 -14.6 24 477 A N S S+ 0 0 151 1,-0.2 -3,-0.0 3,-0.1 0, 0.0 0.921 87.0 35.7 -50.1 -51.6 -6.6 17.6 -15.6 25 478 A P S S+ 0 0 74 0, 0.0 2,-2.0 0, 0.0 -1,-0.2 0.754 91.5 102.5 -75.4 -24.8 -3.3 18.1 -17.4 26 479 A H - 0 0 143 1,-0.1 -5,-0.0 2,-0.0 0, 0.0 -0.390 62.3-163.9 -62.9 84.6 -2.1 20.6 -14.9 27 480 A A - 0 0 73 -2,-2.0 -1,-0.1 1,-0.2 -3,-0.1 -0.635 7.6-154.6 -77.1 113.7 0.2 18.3 -13.0 28 481 A P - 0 0 89 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.969 60.3 -58.7 -49.8 -77.5 1.1 19.9 -9.6 29 482 A Q S S- 0 0 157 1,-0.2 2,-0.4 2,-0.0 3,-0.1 0.447 106.2 -3.1-135.6 -72.3 4.5 18.3 -8.9 30 483 A T > - 0 0 66 1,-0.1 4,-1.2 0, 0.0 -1,-0.2 -0.997 52.8-132.7-136.8 139.4 4.5 14.5 -8.7 31 484 A N T 4 S+ 0 0 113 -2,-0.4 4,-0.5 1,-0.2 -1,-0.1 0.944 108.9 51.3 -51.0 -55.7 1.8 11.9 -8.9 32 485 A F T 4 S+ 0 0 114 1,-0.2 -1,-0.2 3,-0.2 98,-0.2 0.851 103.5 63.1 -49.0 -45.6 3.0 10.0 -5.8 33 486 A A T 4 S+ 0 0 39 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.950 113.7 18.9 -50.4 -70.0 3.0 13.3 -3.8 34 487 A N S >< S+ 0 0 87 -4,-1.2 3,-1.0 2,-0.1 -2,-0.1 0.995 133.4 24.7 -72.8 -76.5 -0.6 14.4 -3.7 35 488 A M T 3 S+ 0 0 104 -4,-0.5 2,-0.5 1,-0.3 3,-0.2 0.923 126.6 45.3 -54.9 -53.6 -3.1 11.5 -4.6 36 489 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.212 85.3 98.8 -88.3 41.9 -0.8 8.6 -3.5 37 490 A S < + 0 0 81 -3,-1.0 2,-0.4 -2,-0.5 94,-0.1 -0.142 47.8 122.5-120.8 39.1 0.4 10.1 -0.2 38 491 A A E -a 131 0A 33 92,-1.1 94,-1.9 -3,-0.2 2,-0.4 -0.865 34.0-179.1-106.0 135.1 -1.9 8.3 2.3 39 492 A R E +a 132 0A 117 -2,-0.4 2,-0.3 92,-0.2 94,-0.2 -0.997 3.7 173.5-135.3 136.0 -0.6 6.2 5.2 40 493 A V E -a 133 0A 55 92,-1.3 94,-1.1 -2,-0.4 2,-0.4 -0.899 22.1-131.1-134.0 163.5 -2.3 4.2 7.9 41 494 A T E +a 134 0A 94 -2,-0.3 94,-0.2 92,-0.2 92,-0.0 -0.967 26.3 167.7-123.4 134.5 -1.3 1.8 10.7 42 495 A L - 0 0 19 92,-0.8 94,-0.5 -2,-0.4 2,-0.2 -0.904 48.9 -69.7-135.5 163.3 -2.8 -1.6 11.5 43 496 A P > - 0 0 57 0, 0.0 3,-0.5 0, 0.0 4,-0.5 -0.354 37.9-146.4 -58.5 119.9 -1.8 -4.6 13.7 44 497 A K G >> S+ 0 0 36 92,-1.0 3,-0.6 1,-0.2 4,-0.5 0.738 89.6 68.9 -57.7 -30.0 1.2 -6.3 12.1 45 498 A S G >4 S+ 0 0 66 91,-0.3 3,-1.0 1,-0.2 -1,-0.2 0.922 99.2 44.3 -60.9 -48.9 0.0 -9.7 13.3 46 499 A L G X4 S+ 0 0 76 -3,-0.5 3,-0.8 1,-0.2 4,-0.5 0.572 99.3 75.1 -74.0 -8.2 -3.0 -10.1 11.0 47 500 A V G <4 S+ 0 0 0 -3,-0.6 3,-0.3 -4,-0.5 -1,-0.2 0.756 76.0 78.5 -73.0 -25.8 -0.9 -8.8 8.1 48 501 A Y G << S+ 0 0 135 -3,-1.0 64,-0.6 -4,-0.5 -1,-0.2 0.710 86.0 60.3 -53.9 -29.7 0.9 -12.1 7.8 49 502 A D S < S+ 0 0 94 -3,-0.8 2,-0.4 1,-0.2 -1,-0.2 0.952 110.5 27.1 -72.0 -50.1 -2.0 -13.7 6.0 50 503 A K - 0 0 53 -4,-0.5 5,-0.4 -3,-0.3 -1,-0.2 -0.948 60.0-163.3-119.4 133.9 -2.3 -11.5 2.8 51 504 A T S > S+ 0 0 1 55,-0.7 4,-0.5 -2,-0.4 -1,-0.2 0.988 84.1 3.5 -73.3 -76.6 0.5 -9.6 1.2 52 505 A F H > S+ 0 0 4 54,-0.4 4,-2.4 3,-0.1 5,-0.2 0.960 130.5 48.4 -75.5 -60.1 -1.0 -7.1 -1.2 53 506 A S H >>S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 5,-0.5 0.958 113.1 40.4 -49.0 -72.7 -4.8 -7.4 -0.7 54 507 A K H >>S+ 0 0 8 1,-0.2 4,-1.3 2,-0.2 5,-1.1 0.897 117.1 50.8 -48.8 -48.4 -5.2 -7.4 3.1 55 508 A V H X>S+ 0 0 1 -4,-0.5 4,-1.2 -5,-0.4 5,-1.0 0.956 113.7 42.3 -55.1 -58.7 -2.6 -4.6 3.6 56 509 A L H X>S+ 0 0 4 -4,-2.4 5,-2.0 3,-0.2 6,-1.1 0.942 125.4 27.6 -57.0 -60.1 -4.1 -2.2 1.0 57 510 A W H <5S+ 0 0 67 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.942 128.0 38.2 -72.5 -51.8 -7.8 -2.5 1.6 58 511 A S H < S+ 0 0 63 -2,-0.3 3,-1.2 1,-0.2 4,-0.4 0.250 77.8 125.4 -69.1 3.0 -12.8 -1.4 0.9 64 517 A S T 3>> + 0 0 5 1,-0.3 4,-2.4 2,-0.2 5,-1.4 0.318 20.7 111.2 -58.3 8.8 -10.8 -2.8 -2.0 65 518 A K H 3>5S+ 0 0 105 -3,-0.3 4,-1.3 3,-0.2 -1,-0.3 0.971 104.4 25.2 -45.8 -45.4 -10.4 -6.3 -0.4 66 519 A S H <>5S+ 0 0 101 -3,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.958 135.7 36.5 -74.3 -56.4 -12.7 -6.8 -3.4 67 520 A E H >5S+ 0 0 97 -4,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.931 117.9 51.4 -63.6 -48.3 -11.4 -3.8 -5.4 68 521 A G H X5S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.944 105.5 54.3 -54.9 -53.5 -7.8 -4.2 -4.3 69 522 A Q H XS+ 0 0 11 -4,-1.9 4,-2.2 -3,-0.3 5,-1.1 0.962 111.0 47.5 -55.1 -54.1 -5.9 -4.4 -8.9 72 525 A I H <5S+ 0 0 7 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.933 114.3 48.4 -50.5 -47.5 -3.5 -7.1 -7.8 73 526 A N H <5S+ 0 0 113 -4,-3.6 -2,-0.3 1,-0.3 -1,-0.2 0.939 105.1 57.6 -56.6 -48.3 -5.2 -9.2 -10.5 74 527 A N H <5S- 0 0 79 -4,-4.2 -1,-0.3 -5,-0.2 -2,-0.2 0.850 105.5-140.1 -48.4 -39.5 -4.8 -6.3 -12.8 75 528 A N T <5 + 0 0 76 -4,-2.2 -3,-0.2 -3,-0.3 -2,-0.1 0.858 63.6 124.9 74.5 40.2 -1.1 -6.7 -12.0 76 529 A G < + 0 0 28 -5,-1.1 50,-2.3 27,-0.1 51,-0.4 -0.179 48.9 90.9-119.3 38.0 -0.5 -3.0 -11.9 77 530 A A E -B 125 0A 11 48,-0.2 2,-0.3 -5,-0.2 48,-0.2 -0.875 52.0-156.2-132.8 164.5 1.1 -2.8 -8.4 78 531 A Y E -B 124 0A 99 46,-2.4 46,-2.1 -2,-0.3 2,-0.4 -0.951 10.1-148.6-135.0 152.9 4.4 -3.0 -6.6 79 532 A V E -B 123 0A 1 -2,-0.3 2,-0.3 44,-0.2 44,-0.2 -0.989 14.0-180.0-133.4 135.7 5.4 -3.9 -3.0 80 533 A G E -B 122 0A 6 42,-1.8 42,-1.9 -2,-0.4 2,-0.4 -0.961 8.5-165.2-133.2 150.1 8.2 -2.7 -0.8 81 534 A S E +B 121 0A 0 -2,-0.3 40,-0.2 40,-0.2 18,-0.1 -0.998 15.1 159.6-134.9 137.2 9.4 -3.4 2.7 82 535 A R + 0 0 126 38,-0.5 15,-0.2 -2,-0.4 16,-0.1 -0.565 6.9 158.7-159.6 90.5 11.9 -1.4 4.9 83 536 A P - 0 0 16 0, 0.0 14,-0.1 0, 0.0 -1,-0.1 0.899 47.3-130.0 -78.3 -43.6 12.0 -1.8 8.7 84 537 A G S S+ 0 0 39 2,-0.1 3,-0.1 12,-0.1 13,-0.1 0.897 70.4 112.6 92.2 50.5 15.5 -0.5 9.2 85 538 A V + 0 0 103 1,-0.2 2,-0.2 0, 0.0 12,-0.0 0.708 68.6 41.7-116.2 -46.0 17.1 -3.2 11.4 86 539 A K - 0 0 123 2,-0.1 -1,-0.2 1,-0.0 -2,-0.1 -0.685 63.9-138.5-108.0 162.0 19.7 -4.9 9.3 87 540 A K + 0 0 170 -2,-0.2 2,-1.0 -3,-0.1 -1,-0.0 -0.086 60.1 128.4-106.4 30.8 22.3 -3.7 6.8 88 541 A N - 0 0 117 2,-0.1 9,-0.6 1,-0.0 8,-0.4 -0.776 52.1-143.9 -94.0 99.9 21.7 -6.5 4.3 89 542 A E - 0 0 159 -2,-1.0 7,-0.2 8,-0.1 8,-0.2 0.182 41.7 -74.9 -49.1 176.8 21.2 -4.9 1.0 90 543 A P + 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.899 57.6 174.8 -44.2 -51.9 18.6 -6.4 -1.5 91 544 A G - 0 0 72 1,-0.2 2,-5.3 3,-0.1 -2,-0.1 0.716 53.7-109.2 47.4 23.9 21.0 -9.2 -2.4 92 545 A G S S+ 0 0 66 1,-0.2 2,-4.8 2,-0.0 -1,-0.2 -0.054 94.4 113.6 52.8 -48.7 18.2 -10.6 -4.5 93 546 A G S S- 0 0 58 -2,-5.3 -1,-0.2 1,-0.2 -2,-0.1 -0.088 110.5 -72.7 -50.2 55.2 17.7 -13.5 -2.0 94 547 A M S S- 0 0 114 -2,-4.8 -1,-0.2 2,-0.0 -3,-0.1 0.938 71.3-151.0 51.6 53.9 14.2 -12.1 -0.9 95 548 A P - 0 0 29 0, 0.0 -6,-0.1 0, 0.0 -4,-0.1 0.108 19.1-159.1 -47.6 166.8 15.7 -9.2 1.0 96 549 A D S S+ 0 0 62 -8,-0.4 21,-0.1 -7,-0.2 3,-0.1 0.541 84.7 65.4-123.8 -24.7 13.9 -7.6 3.9 97 550 A D S S+ 0 0 20 -9,-0.6 2,-0.4 1,-0.2 -8,-0.1 0.936 119.5 13.5 -65.4 -46.2 15.5 -4.2 4.0 98 551 A L S S- 0 0 68 -16,-0.1 2,-0.4 -18,-0.1 -1,-0.2 -0.984 74.1-164.6-131.6 142.0 14.0 -3.3 0.6 99 552 A T - 0 0 14 -2,-0.4 2,-0.4 -18,-0.1 -3,-0.1 -0.971 7.2-171.7-132.2 147.8 11.2 -5.1 -1.3 100 553 A F - 0 0 132 -2,-0.4 -20,-0.2 -20,-0.2 -22,-0.1 -0.983 12.0-158.6-132.3 139.5 9.9 -5.0 -4.8 101 554 A T - 0 0 3 -2,-0.4 -2,-0.0 1,-0.1 -21,-0.0 -0.975 25.5-158.8-130.4 141.7 6.8 -6.7 -6.1 102 555 A P - 0 0 75 0, 0.0 -25,-0.2 0, 0.0 -24,-0.1 0.405 50.2-121.7 -87.8 1.1 5.5 -7.9 -9.5 103 556 A I + 0 0 2 1,-0.2 2,-0.3 -27,-0.1 -28,-0.2 0.809 62.2 145.7 62.7 34.0 2.0 -7.8 -8.0 104 557 A K - 0 0 132 -29,-0.1 2,-0.4 1,-0.1 -1,-0.2 -0.777 63.7 -82.9-103.5 142.2 1.3 -11.4 -8.7 105 558 A T + 0 0 108 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.317 63.1 150.1 -57.4 116.2 -0.8 -13.3 -6.2 106 559 A W + 0 0 42 -2,-0.4 -55,-0.7 1,-0.1 -54,-0.4 -0.967 15.5 178.6-139.5 112.3 1.3 -14.5 -3.3 107 560 A N S > S+ 0 0 79 -2,-0.4 4,-1.1 -57,-0.2 -56,-0.2 0.954 72.8 3.9 -84.0 -76.6 -0.6 -14.7 0.0 108 561 A A H >>S+ 0 0 58 2,-0.2 4,-1.7 3,-0.2 5,-0.5 0.914 125.1 57.4 -75.6 -50.3 1.5 -16.0 2.9 109 562 A S H >5S+ 0 0 98 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.926 116.4 33.6 -49.6 -54.8 4.9 -16.4 1.3 110 563 A K H >>S+ 0 0 47 2,-0.2 4,-2.5 3,-0.2 5,-0.8 0.931 116.5 55.4 -70.5 -47.8 5.2 -12.7 0.2 111 564 A T H X5S+ 0 0 0 -4,-1.1 4,-2.6 -5,-0.2 5,-0.3 0.968 114.4 36.1 -49.3 -71.3 3.4 -11.2 3.1 112 565 A Q H <5S+ 0 0 92 -4,-1.7 4,-0.5 -64,-0.6 -1,-0.2 0.887 115.1 59.8 -49.4 -46.5 5.4 -12.6 6.0 113 566 A E H <<5S+ 0 0 0 -4,-2.5 3,-1.6 -3,-0.1 -2,-0.2 0.823 121.7 69.7 -96.8 -40.7 8.4 -8.5 3.4 115 568 A I T 3<< + 0 0 1 -4,-2.6 -3,-0.2 -5,-0.8 -2,-0.1 0.370 64.4 104.8 -62.8 8.1 5.4 -7.5 5.4 116 569 A I T 3 + 0 0 34 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.1 0.959 53.0 168.3 -55.0 -40.4 7.4 -8.3 8.5 117 570 A D < - 0 0 0 -3,-1.6 18,-0.5 3,-0.2 4,-0.1 0.841 17.3-177.9 33.9 61.3 7.5 -4.6 8.6 118 571 A G S S- 0 0 38 1,-0.2 19,-0.1 2,-0.2 -1,-0.1 0.964 92.3 -7.6 -51.9 -45.5 8.8 -4.3 12.1 119 572 A D S S+ 0 0 106 1,-0.2 2,-0.4 17,-0.1 -1,-0.2 0.511 136.0 51.2-120.8 -16.1 8.5 -0.6 11.5 120 573 A L + 0 0 31 14,-0.2 -38,-0.5 15,-0.1 2,-0.4 -0.969 39.9 164.5-139.9 137.0 7.6 -0.4 7.8 121 574 A L E -BC 81 133A 0 12,-1.3 12,-1.3 -2,-0.4 2,-0.4 -0.999 17.4-173.1-135.1 133.2 5.2 -1.7 5.3 122 575 A I E +BC 80 132A 35 -42,-1.9 -42,-1.8 -2,-0.4 2,-0.4 -0.992 8.0 180.0-134.7 138.3 4.7 -0.1 1.9 123 576 A L E -BC 79 131A 0 8,-1.4 8,-1.2 -2,-0.4 2,-0.4 -0.997 5.2-172.8-132.5 135.6 2.2 -0.7 -0.9 124 577 A K E -BC 78 130A 79 -46,-2.1 -46,-2.4 -2,-0.4 2,-0.4 -0.991 4.5-172.2-132.6 135.8 2.0 1.1 -4.2 125 578 A L E -B 77 0A 11 4,-0.9 -48,-0.2 -2,-0.4 3,-0.0 -0.988 12.3-162.8-126.8 131.8 -0.6 0.9 -6.9 126 579 A G S S+ 0 0 72 -50,-2.3 -49,-0.1 -2,-0.4 4,-0.1 0.469 81.3 76.0 -90.5 -2.3 -0.2 2.6 -10.3 127 580 A K S S- 0 0 50 -51,-0.4 -1,-0.2 2,-0.2 3,-0.1 0.962 127.7 -37.1 -73.3 -48.2 -3.9 2.3 -11.2 128 581 A W S S+ 0 0 151 1,-0.4 2,-0.3 -3,-0.0 -2,-0.1 0.568 113.1 10.3-139.1 -52.4 -4.9 5.1 -8.8 129 582 A K - 0 0 60 -93,-0.1 -4,-0.9 -94,-0.0 2,-0.4 -0.947 47.7-133.7-139.5 165.4 -3.1 5.4 -5.5 130 583 A M E - C 0 124A 22 -2,-0.3 -92,-1.1 -6,-0.2 2,-0.4 -0.955 22.2-171.8-117.5 134.3 -0.3 4.4 -3.3 131 584 A K E -aC 38 123A 0 -8,-1.2 -8,-1.4 -2,-0.4 2,-0.4 -0.991 1.1-169.1-128.4 133.6 -0.9 3.5 0.3 132 585 A L E -aC 39 122A 29 -94,-1.9 -92,-1.3 -2,-0.4 2,-0.4 -0.969 5.4-170.3-126.0 136.7 1.7 2.8 2.8 133 586 A V E -aC 40 121A 0 -12,-1.3 -12,-1.3 -2,-0.4 2,-0.4 -0.979 15.2-146.3-131.1 144.9 1.2 1.4 6.2 134 587 A S E -a 41 0A 34 -94,-1.1 -92,-0.8 -2,-0.4 2,-0.4 -0.883 22.0-168.5-107.2 135.6 3.3 0.9 9.3 135 588 A I - 0 0 0 -18,-0.5 2,-0.4 -2,-0.4 -15,-0.1 -0.986 11.4-178.9-133.6 137.6 2.7 -2.1 11.5 136 589 A V - 0 0 74 -94,-0.5 -92,-1.0 -2,-0.4 2,-0.3 -0.992 31.0-116.1-132.6 137.1 3.8 -3.2 14.9 137 590 A S > - 0 0 3 -2,-0.4 4,-2.1 -93,-0.2 5,-0.2 -0.538 17.6-136.6 -73.5 131.0 3.1 -6.4 16.8 138 591 A D H > S+ 0 0 112 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.919 105.9 55.1 -50.3 -49.0 1.1 -5.9 20.0 139 592 A E H > S+ 0 0 120 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.921 104.3 53.2 -51.5 -49.6 3.3 -8.4 21.7 140 593 A K H > S+ 0 0 123 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.936 105.5 55.4 -51.6 -48.7 6.4 -6.4 20.8 141 594 A F H X S+ 0 0 101 -4,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.916 101.6 57.2 -50.2 -48.4 4.8 -3.3 22.2 142 595 A K H < S+ 0 0 76 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.917 104.7 53.8 -49.6 -47.6 4.4 -5.2 25.5 143 596 A E H >< S+ 0 0 140 -4,-1.7 3,-0.9 -3,-0.3 -1,-0.2 0.946 114.5 36.9 -53.4 -59.0 8.1 -5.7 25.5 144 597 A L H 3< S+ 0 0 127 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.976 129.3 32.9 -60.4 -58.0 9.1 -2.0 25.2 145 598 A G T >< S+ 0 0 12 -4,-2.3 3,-1.0 1,-0.2 6,-0.4 0.163 80.0 131.2 -82.0 13.3 6.4 -0.6 27.3 146 599 A L T < S+ 0 0 95 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.626 77.9 39.6 -48.2 -11.4 6.4 -3.7 29.5 147 600 A T T 3 S+ 0 0 127 -3,-0.4 -1,-0.3 -4,-0.1 -4,-0.0 -0.432 94.1 100.4-140.3 66.0 6.6 -1.3 32.5 148 601 A A S <> S- 0 0 45 -3,-1.0 4,-1.0 -2,-0.0 3,-0.2 -0.743 84.7 -97.6-132.4 179.8 4.3 1.6 31.7 149 602 A P H > S+ 0 0 108 0, 0.0 4,-1.4 0, 0.0 5,-0.3 0.557 112.3 74.1 -79.0 -7.3 0.7 2.7 32.7 150 603 A G H > S+ 0 0 30 -5,-0.2 4,-2.0 2,-0.2 5,-0.3 0.938 100.4 35.3 -71.3 -50.1 -0.5 1.2 29.4 151 604 A W H >>S+ 0 0 41 -6,-0.4 4,-1.5 -3,-0.2 5,-1.4 0.923 115.3 55.3 -71.3 -46.2 -0.2 -2.5 30.3 152 605 A D H <>S+ 0 0 101 -4,-1.0 5,-2.4 3,-0.2 4,-0.2 0.948 116.1 37.8 -50.8 -54.9 -1.2 -2.2 33.9 153 606 A E H <>S+ 0 0 100 -4,-1.4 5,-3.4 3,-0.2 6,-0.4 0.979 122.5 40.2 -60.9 -63.6 -4.4 -0.4 33.0 154 607 A V H <5S+ 0 0 53 -4,-2.0 -3,-0.2 -5,-0.3 6,-0.2 0.963 131.5 19.5 -50.8 -71.4 -5.4 -2.4 29.9 155 608 A V T <5S+ 0 0 99 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.1 0.967 132.1 39.3 -69.4 -59.4 -4.5 -5.9 30.8 156 609 A G T