==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 28-AUG-10 3ONG . COMPND 2 MOLECULE: UBIQUITIN-ACTIVATING ENZYME E1-LIKE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR J.WANG,A.M.TAHERBHOY,H.W.HUNT,S.N.SEYEDIN,D.W.MILLER,D.T.HUA . 542 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 57 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 0 2 0 1 2 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 9 3 3 3 3 2 2 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 . 2 0 0 0 0 0 0 0 0 2 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 1 439 A S 0 0 145 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -27.6 13.3 76.1 39.9 2 440 A K + 0 0 89 2,-0.1 2,-0.3 83,-0.0 84,-0.2 -0.168 360.0 77.7 -93.1 40.0 13.5 75.4 43.7 3 441 A V S S- 0 0 15 -2,-0.2 84,-0.2 82,-0.1 2,-0.1 -0.972 82.6-119.6-147.7 129.5 17.1 76.8 43.9 4 442 A C E -a 87 0A 15 82,-1.9 84,-3.1 -2,-0.3 2,-0.3 -0.400 33.1-163.5 -68.7 148.9 18.0 80.5 44.0 5 443 A R E +a 88 0A 87 82,-0.2 2,-0.3 -2,-0.1 84,-0.2 -0.999 16.5 157.0-141.4 138.9 20.3 81.7 41.2 6 444 A G E -a 89 0A 2 82,-2.0 84,-2.8 -2,-0.3 2,-0.5 -0.988 33.8-121.4-156.5 158.7 22.5 84.7 40.6 7 445 A V E -a 90 0A 35 -2,-0.3 2,-0.4 82,-0.2 84,-0.2 -0.913 20.6-151.0-104.5 123.8 25.5 85.9 38.6 8 446 A I E -a 91 0A 0 82,-3.4 84,-2.0 -2,-0.5 2,-0.6 -0.802 9.5-145.0 -89.2 132.5 28.6 87.2 40.4 9 447 A K E -aB 92 103A 60 94,-1.7 94,-2.0 -2,-0.4 2,-0.3 -0.898 26.4-176.4 -98.2 124.6 30.6 89.8 38.4 10 448 A L E -aB 93 102A 1 82,-1.7 84,-1.8 -2,-0.6 2,-0.2 -0.895 26.5-124.3-123.7 147.3 34.3 89.4 39.1 11 449 A S > - 0 0 5 90,-2.1 4,-1.0 -2,-0.3 3,-0.2 -0.590 25.6-125.4 -76.1 151.3 37.5 91.2 38.2 12 450 A S H >> S+ 0 0 61 82,-0.4 3,-1.2 -2,-0.2 4,-0.8 0.969 116.2 56.2 -55.5 -55.5 40.2 89.0 36.6 13 451 A D H 34 S+ 0 0 55 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.773 102.9 57.0 -36.5 -40.6 42.5 90.3 39.4 14 452 A C H 3> S+ 0 0 6 1,-0.2 4,-1.6 87,-0.2 3,-0.4 0.774 94.1 62.1 -78.0 -29.9 40.0 88.9 41.9 15 453 A L H << S+ 0 0 20 -3,-1.2 47,-1.5 -4,-1.0 -1,-0.2 0.796 109.5 41.5 -68.7 -29.4 39.9 85.3 40.9 16 454 A N T < S+ 0 0 96 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.513 122.8 37.5 -94.5 -9.1 43.6 84.7 41.7 17 455 A K T 4 S+ 0 0 153 -4,-0.5 2,-0.7 -3,-0.4 -2,-0.2 0.500 87.6 105.6-118.5 -10.9 43.7 86.7 44.9 18 456 A M < - 0 0 22 -4,-1.6 43,-2.3 -5,-0.1 2,-0.2 -0.655 62.7-144.3 -79.3 108.8 40.3 85.8 46.4 19 457 A K B >> -K 60 0B 86 -2,-0.7 4,-2.5 41,-0.3 3,-0.6 -0.550 14.1-129.2 -74.2 136.7 40.7 83.3 49.3 20 458 A L H 3> S+ 0 0 0 39,-2.9 4,-2.6 36,-0.4 5,-0.2 0.901 109.8 57.2 -46.6 -50.6 38.0 80.6 49.7 21 459 A S H 3> S+ 0 0 44 36,-1.8 4,-1.3 38,-0.3 -1,-0.2 0.858 109.6 43.4 -48.7 -46.3 37.7 81.6 53.4 22 460 A D H <> S+ 0 0 84 -3,-0.6 4,-2.4 35,-0.2 -1,-0.2 0.894 110.8 55.9 -68.4 -42.8 36.9 85.2 52.5 23 461 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.917 106.5 50.1 -56.2 -48.3 34.5 84.2 49.7 24 462 A V H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.869 110.0 50.8 -57.5 -42.7 32.5 82.1 52.1 25 463 A V H X S+ 0 0 74 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.914 110.2 49.9 -62.2 -44.3 32.3 85.0 54.5 26 464 A L H X S+ 0 0 64 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.939 115.2 42.1 -59.2 -51.5 31.1 87.3 51.7 27 465 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 6,-0.3 0.929 113.1 52.0 -64.5 -49.5 28.3 84.9 50.6 28 466 A R H X>S+ 0 0 42 -4,-2.7 5,-1.7 1,-0.2 4,-1.0 0.908 115.0 43.5 -51.9 -47.1 27.2 84.0 54.1 29 467 A E H <5S+ 0 0 149 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.870 109.7 55.1 -70.1 -41.0 26.8 87.6 55.0 30 468 A K H <5S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.925 122.9 24.5 -57.2 -47.0 25.1 88.8 51.8 31 469 A Y H <5S- 0 0 8 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.357 107.9-111.4-110.2 4.1 22.3 86.3 52.0 32 470 A S T <5 + 0 0 77 -4,-1.0 -3,-0.2 -5,-0.2 -4,-0.1 0.862 51.2 168.3 67.4 42.1 22.1 85.5 55.7 33 471 A Y < - 0 0 11 -5,-1.7 -1,-0.2 -6,-0.3 4,-0.1 -0.428 34.4-111.1 -72.8 157.6 23.3 81.9 55.8 34 472 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 43,-0.1 -0.061 35.2 -87.5 -81.0-170.3 24.1 80.4 59.2 35 473 A Q S S+ 0 0 136 1,-0.1 2,-0.7 41,-0.0 -2,-0.1 0.953 113.4 62.8 -60.4 -54.3 27.5 79.5 60.7 36 474 A D S S+ 0 0 42 14,-0.1 41,-2.5 15,-0.0 2,-0.3 -0.679 70.9 151.4 -82.5 111.7 27.5 75.9 59.3 37 475 A I E -C 76 0A 0 -2,-0.7 14,-1.1 39,-0.2 2,-0.3 -0.856 32.7-143.8-131.3 165.4 27.5 76.0 55.5 38 476 A S E -CD 75 50A 1 37,-1.7 37,-2.4 -2,-0.3 2,-0.5 -0.997 8.1-154.7-132.9 144.3 28.7 73.8 52.6 39 477 A L E -CD 74 49A 0 10,-3.4 9,-2.5 -2,-0.3 10,-1.3 -0.958 13.8-175.8-125.6 116.3 30.1 75.0 49.2 40 478 A L E -CD 73 47A 0 33,-3.0 33,-2.5 -2,-0.5 2,-1.0 -0.812 34.3-125.9-107.0 147.1 30.0 72.8 46.1 41 479 A D E >> -CD 72 46A 2 5,-2.9 4,-1.5 -2,-0.3 5,-1.0 -0.861 32.3-163.7 -80.6 105.1 31.3 73.2 42.6 42 480 A A T 45S+ 0 0 23 29,-1.8 30,-0.2 -2,-1.0 -1,-0.2 0.770 76.5 59.2 -67.2 -28.7 27.9 72.6 41.1 43 481 A S T 45S+ 0 0 75 28,-0.9 -1,-0.2 1,-0.2 29,-0.1 0.929 126.1 13.6 -70.9 -48.9 29.1 71.9 37.6 44 482 A N T 45S- 0 0 91 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.368 105.6-120.8-108.8 1.9 31.4 68.9 38.3 45 483 A Q T <5 + 0 0 19 -4,-1.5 382,-0.4 1,-0.2 2,-0.4 0.903 51.5 158.3 66.6 49.9 29.9 68.3 41.8 46 484 A R E < -D 41 0A 8 -5,-1.0 -5,-2.9 380,-0.1 2,-0.7 -0.823 43.1-127.0-100.2 141.1 33.0 68.6 44.0 47 485 A L E +DE 40 425A 0 378,-2.6 378,-2.2 -2,-0.4 -7,-0.2 -0.831 33.9 171.4 -87.0 116.0 32.8 69.5 47.7 48 486 A L E - 0 0 0 -9,-2.5 8,-0.4 -2,-0.7 2,-0.3 0.780 57.6 -5.9 -96.2 -33.0 35.1 72.4 48.2 49 487 A F E +D 39 0A 11 -10,-1.3 -10,-3.4 6,-0.1 -1,-0.3 -0.964 58.5 154.7-164.7 140.2 34.3 73.6 51.7 50 488 A D E -D 38 0A 4 3,-2.1 -12,-0.2 -2,-0.3 -14,-0.1 -0.961 60.8 -74.7-156.3 178.9 32.1 73.0 54.8 51 489 A Y S S+ 0 0 29 -14,-1.1 3,-0.1 -2,-0.3 -13,-0.1 0.622 133.8 23.2 -45.2 -17.6 32.0 73.3 58.6 52 490 A D S S+ 0 0 72 1,-0.2 2,-0.9 0, 0.0 -1,-0.2 0.636 110.1 71.2-126.2 -30.9 34.3 70.3 58.7 53 491 A F + 0 0 1 1,-0.1 -3,-2.1 2,-0.0 -1,-0.2 -0.831 49.7 147.1 -96.8 100.9 36.1 70.1 55.4 54 492 A E > + 0 0 97 -2,-0.9 3,-0.7 -5,-0.2 4,-0.3 0.030 27.6 115.3-125.5 24.0 38.6 73.0 55.5 55 493 A D T 3 S+ 0 0 95 1,-0.2 3,-0.4 2,-0.1 -1,-0.1 0.843 85.3 42.5 -60.9 -35.6 41.5 71.7 53.6 56 494 A L T > S+ 0 0 5 -8,-0.4 3,-1.7 1,-0.2 -36,-0.4 0.430 81.5 113.1 -95.3 -1.3 41.0 74.3 50.8 57 495 A N T < S+ 0 0 53 -3,-0.7 -36,-1.8 1,-0.3 -35,-0.2 0.773 80.7 40.6 -32.9 -49.5 40.4 77.2 53.3 58 496 A D T 3 S+ 0 0 116 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.604 94.0 105.0 -88.1 -12.7 43.6 79.1 52.5 59 497 A R S < S- 0 0 103 -3,-1.7 -39,-2.9 -40,-0.1 -38,-0.3 -0.287 70.2-118.9 -70.4 150.9 43.5 78.6 48.7 60 498 A T B >> -K 19 0B 16 -41,-0.3 4,-0.8 -44,-0.1 3,-0.6 -0.511 33.6-102.6 -82.5 159.3 42.5 81.2 46.2 61 499 A L G >4>S+ 0 0 0 -43,-2.3 5,-1.9 -47,-0.3 3,-0.5 0.821 126.0 49.9 -51.7 -35.4 39.5 80.7 43.9 62 500 A S G >45S+ 0 0 48 -47,-1.5 3,-1.7 1,-0.2 -1,-0.3 0.852 102.4 60.9 -70.8 -35.9 41.9 79.9 41.0 63 501 A E G <45S+ 0 0 107 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.577 104.4 50.0 -70.7 -10.8 43.8 77.4 43.2 64 502 A I G <<5S- 0 0 6 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.046 121.5-106.9-112.2 22.9 40.6 75.3 43.6 65 503 A N T < 5S+ 0 0 124 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.592 71.1 142.0 64.3 17.7 40.0 75.3 39.8 66 504 A L < + 0 0 3 -5,-1.9 2,-0.2 -51,-0.1 -1,-0.2 -0.720 21.6 144.3 -84.0 139.0 37.0 77.8 39.8 67 505 A G > - 0 0 18 -2,-0.4 3,-2.3 24,-0.0 24,-0.2 -0.779 51.6 -28.4-150.5-165.0 37.0 80.2 36.8 68 506 A N T 3 S+ 0 0 104 1,-0.3 24,-0.2 -2,-0.2 3,-0.1 -0.418 129.0 20.4 -58.9 124.4 34.9 82.1 34.3 69 507 A G T 3 S+ 0 0 30 22,-2.9 -1,-0.3 1,-0.3 23,-0.1 0.357 90.3 139.2 93.3 -4.3 31.7 80.1 33.8 70 508 A S E < - F 0 91A 19 -3,-2.3 21,-2.9 21,-0.5 2,-0.4 -0.454 40.5-149.2 -70.5 144.7 32.0 78.1 37.1 71 509 A I E - F 0 90A 31 19,-0.2 -29,-1.8 -2,-0.1 -28,-0.9 -0.980 10.0-160.9-120.8 131.8 28.8 77.6 39.1 72 510 A I E -CF 41 89A 0 17,-2.7 17,-2.2 -2,-0.4 2,-0.5 -0.809 8.0-150.7-112.2 145.7 28.8 77.3 42.9 73 511 A L E -CF 40 88A 12 -33,-2.5 -33,-3.0 -2,-0.3 2,-0.5 -0.984 11.6-170.8-119.7 121.8 26.2 75.9 45.2 74 512 A F E -CF 39 87A 0 13,-2.5 13,-2.1 -2,-0.5 2,-0.3 -0.958 12.0-176.1-114.1 122.5 26.0 77.3 48.7 75 513 A S E -C 38 0A 13 -37,-2.4 -37,-1.7 -2,-0.5 2,-0.5 -0.921 31.4-115.9-125.5 148.0 23.8 75.5 51.2 76 514 A D E +C 37 0A 16 8,-0.8 -39,-0.2 -2,-0.3 3,-0.2 -0.695 32.3 177.1 -73.1 120.4 22.6 76.0 54.8 77 515 A E + 0 0 10 -41,-2.5 -40,-0.2 -2,-0.5 -1,-0.1 -0.127 45.5 104.7-120.7 38.1 24.0 73.1 56.8 78 516 A E S S- 0 0 67 -42,-0.1 -1,-0.1 -43,-0.0 -41,-0.1 0.593 77.2-131.0 -94.2 -11.4 22.9 73.8 60.4 79 517 A G + 0 0 62 -3,-0.2 4,-0.1 1,-0.1 2,-0.1 0.825 52.2 150.2 65.8 35.1 20.1 71.2 60.6 80 518 A D - 0 0 91 2,-0.2 34,-0.2 1,-0.1 -1,-0.1 -0.270 63.0-105.8 -84.8 175.9 17.4 73.6 61.9 81 519 A T S S+ 0 0 122 1,-0.2 33,-1.7 32,-0.1 2,-0.5 0.940 113.6 43.4 -63.9 -49.7 13.6 73.5 61.4 82 520 A M E S-L 113 0C 103 31,-0.2 2,-0.4 32,-0.1 31,-0.2 -0.868 77.3-168.1 -98.7 127.6 14.0 76.4 59.0 83 521 A I E -L 112 0C 21 29,-3.2 29,-2.5 -2,-0.5 2,-0.5 -0.931 26.3-118.6-112.7 141.3 16.8 76.4 56.5 84 522 A R E -L 111 0C 48 -2,-0.4 -8,-0.8 27,-0.2 27,-0.2 -0.679 46.8-104.1 -73.1 123.1 18.0 79.2 54.3 85 523 A K - 0 0 48 25,-2.0 -1,-0.1 -2,-0.5 -82,-0.1 -0.064 36.8-106.1 -51.5 143.9 17.4 78.1 50.7 86 524 A A - 0 0 22 -84,-0.2 -82,-1.9 -10,-0.1 2,-0.4 -0.319 33.7-151.0 -67.7 154.9 20.5 77.1 48.7 87 525 A I E -aF 4 74A 0 -13,-2.1 -13,-2.5 -84,-0.2 2,-0.5 -0.996 9.7-147.7-134.2 135.0 21.9 79.3 46.0 88 526 A E E -aF 5 73A 36 -84,-3.1 -82,-2.0 -2,-0.4 2,-0.5 -0.890 17.7-162.6 -95.1 129.2 23.7 78.7 42.8 89 527 A L E -aF 6 72A 0 -17,-2.2 -17,-2.7 -2,-0.5 2,-0.4 -0.965 6.9-148.4-117.5 120.3 26.2 81.5 41.9 90 528 A F E -aF 7 71A 48 -84,-2.8 -82,-3.4 -2,-0.5 2,-0.9 -0.711 13.2-137.7 -85.2 136.7 27.5 81.8 38.4 91 529 A L E +aF 8 70A 0 -21,-2.9 -22,-2.9 -2,-0.4 2,-0.8 -0.761 28.0 172.0-103.0 90.5 31.1 83.2 38.1 92 530 A D E -a 9 0A 50 -84,-2.0 -82,-1.7 -2,-0.9 2,-0.6 -0.858 12.2-166.8 -98.7 102.3 31.2 85.6 35.2 93 531 A V E -a 10 0A 17 -2,-0.8 2,-0.3 -84,-0.2 -82,-0.2 -0.829 11.4-155.5 -89.1 121.9 34.6 87.4 35.3 94 532 A D > - 0 0 30 -84,-1.8 3,-0.7 -2,-0.6 2,-0.5 -0.678 19.0-108.6 -98.6 152.5 34.4 90.4 32.9 95 533 A D T 3 S+ 0 0 132 1,-0.3 -84,-0.1 -2,-0.3 -2,-0.0 -0.833 96.6 6.0-126.6 96.3 37.4 92.1 31.2 96 534 A E T 3 + 0 0 91 -2,-0.5 -1,-0.3 1,-0.1 -85,-0.1 0.483 69.6 139.8-136.8 155.9 37.6 94.5 32.7 97 535 A L S < S- 0 0 34 -3,-0.7 2,-0.2 -87,-0.1 -85,-0.2 -0.672 75.9 -57.3-110.0 170.1 35.8 96.0 35.7 98 536 A P S S- 0 0 110 0, 0.0 3,-0.4 0, 0.0 -87,-0.1 -0.343 73.0-108.9 -51.1 113.7 37.5 98.0 38.5 99 537 A C S S+ 0 0 91 1,-0.2 -89,-0.0 -2,-0.2 0, 0.0 -0.113 104.9 39.3 -48.6 142.8 40.2 95.4 39.6 100 538 A N S S+ 0 0 132 1,-0.3 2,-0.5 -3,-0.1 -1,-0.2 0.667 85.4 145.2 83.6 22.7 39.4 93.9 43.0 101 539 A T + 0 0 34 -3,-0.4 -90,-2.1 -4,-0.1 -1,-0.3 -0.805 20.0 162.3 -96.6 130.4 35.6 93.7 42.3 102 540 A C E -B 10 0A 27 -2,-0.5 2,-0.8 -92,-0.2 -92,-0.2 -0.696 14.6-178.2-139.2 82.9 33.4 90.9 43.6 103 541 A S E -B 9 0A 60 -94,-2.0 -94,-1.7 -2,-0.2 -2,-0.0 -0.781 14.2-152.3 -92.4 111.0 29.8 92.1 43.3 104 542 A L - 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0 0 16 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.193 19.4-124.6 -53.4 140.8 25.4 35.4 58.7 513 124 D N > - 0 0 65 3,-0.2 3,-1.2 1,-0.1 -5,-0.0 -0.823 10.7-156.2 -98.3 114.7 22.0 35.3 56.9 514 125 D P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 0.733 91.7 66.2 -58.8 -29.7 21.1 31.9 55.3 515 126 D N T 3 S+ 0 0 145 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 0.144 103.7 52.1 -79.7 21.2 18.7 33.5 52.7 516 127 D S < + 0 0 36 -3,-1.2 2,-1.1 3,-0.0 -1,-0.2 -0.294 61.4 168.2-151.9 59.4 21.9 35.1 51.2 517 128 D P + 0 0 83 0, 0.0 -43,-0.2 0, 0.0 3,-0.1 -0.665 15.9 151.4 -78.5 106.8 24.6 32.6 50.5 518 129 D A + 0 0 15 -45,-2.5 2,-0.5 -2,-1.1 -44,-0.2 0.560 59.8 51.2-111.7 -17.1 27.0 34.8 48.4 519 130 D Q > - 0 0 23 -46,-1.6 4,-2.1 -3,-0.2 -1,-0.2 -0.912 65.4-165.0-128.4 102.4 30.4 33.2 49.1 520 131 D E H > S+ 0 0 153 -2,-0.5 4,-2.4 1,-0.2 3,-0.2 0.914 86.2 46.3 -55.9 -54.1 30.4 29.5 48.5 521 132 D P H > S+ 0 0 86 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.865 115.5 47.5 -60.4 -37.4 33.7 28.5 50.3 522 133 D A H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.809 111.7 50.0 -71.2 -33.0 32.8 30.7 53.4 523 134 D W H X S+ 0 0 65 -4,-2.1 4,-1.8 -3,-0.2 -1,-0.2 0.856 107.9 54.9 -71.7 -38.0 29.3 29.2 53.5 524 135 D R H X S+ 0 0 151 -4,-2.4 4,-2.1 -5,-0.2 3,-0.2 0.960 111.0 43.1 -55.3 -56.8 30.7 25.7 53.4 525 136 D S H X S+ 0 0 18 -4,-1.7 4,-1.4 1,-0.2 8,-0.5 0.832 112.1 54.9 -62.0 -37.7 33.0 26.2 56.4 526 137 D F H < S+ 0 0 74 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.890 116.2 36.5 -60.8 -41.4 30.2 28.0 58.3 527 138 D S H < S+ 0 0 76 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.735 134.7 15.3 -89.6 -26.7 27.8 25.1 57.9 528 139 D R H < S+ 0 0 185 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.235 130.7 36.4-138.0 13.8 30.0 22.0 58.2 529 140 D N >X + 0 0 76 -4,-1.4 3,-3.4 -5,-0.2 4,-1.3 0.076 60.0 163.5-154.8 32.2 33.4 23.0 59.6 530 141 D K H 3> S+ 0 0 55 1,-0.3 4,-2.2 -4,-0.3 5,-0.1 0.553 75.7 56.1 -42.1 -25.6 32.6 25.8 62.2 531 142 D A H 3> S+ 0 0 75 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.830 108.8 45.8 -77.0 -35.5 36.1 25.5 63.8 532 143 D E H <> S+ 0 0 90 -3,-3.4 4,-1.7 -7,-0.2 -2,-0.2 0.834 113.1 52.3 -71.3 -35.7 37.9 26.1 60.5 533 144 D Y H X S+ 0 0 11 -4,-1.3 4,-1.9 -8,-0.5 3,-0.3 0.961 109.2 47.3 -61.7 -53.9 35.4 29.0 59.9 534 145 D D H X S+ 0 0 65 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.838 108.7 58.0 -56.6 -35.0 36.2 30.6 63.3 535 146 D K H X S+ 0 0 51 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.901 107.3 44.6 -62.7 -45.4 39.9 30.1 62.6 536 147 D K H X S+ 0 0 102 -4,-1.7 4,-1.9 -3,-0.3 -1,-0.2 0.798 109.7 56.5 -70.6 -32.2 39.8 32.2 59.4 537 148 D V H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.882 107.1 49.8 -63.9 -40.5 37.7 34.9 61.2 538 149 D L H X S+ 0 0 95 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.890 110.1 49.9 -65.2 -42.2 40.4 35.2 63.8 539 150 D L H X S+ 0 0 127 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.872 112.5 47.9 -60.9 -39.6 43.1 35.5 61.1 540 151 D Q H X S+ 0 0 14 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.838 107.7 54.0 -72.3 -36.7 41.0 38.3 59.4 541 152 D A H < S+ 0 0 10 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.838 110.5 47.8 -64.1 -34.7 40.4 40.2 62.6 542 153 D K H >< S+ 0 0 65 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.794 107.2 56.9 -73.7 -31.0 44.2 40.2 63.1 543 154 D Q H 3< S+ 0 0 124 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.792 115.8 36.6 -67.1 -30.3 44.6 41.4 59.5 544 155 D Y T 3< 0 0 49 -4,-1.3 -98,-3.3 -5,-0.1 -1,-0.2 -0.149 360.0 360.0-118.5 37.3 42.4 44.4 60.3 545 156 D S < 0 0 113 -3,-0.9 -100,-0.2 -100,-0.3 -3,-0.1 -0.361 360.0 360.0 -61.2 360.0 43.4 45.2 63.8