==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 24-AUG-10 2XP0 . COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE CHFR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.OBEROI,R.BAYLISS . 424 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 55.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 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 . 18 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 4 4 2 0 0 0 0 0 0 3 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 424 A P 0 0 170 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.6 22.1 20.0 42.5 2 425 A Y - 0 0 111 2,-0.0 2,-0.4 1,-0.0 15,-0.0 -0.544 360.0-173.7 -67.8 131.3 22.9 21.4 45.9 3 426 A V - 0 0 40 -2,-0.3 2,-0.5 2,-0.0 10,-0.0 -0.992 15.6-174.3-135.5 128.2 26.6 22.3 45.9 4 427 A V + 0 0 55 -2,-0.4 2,-0.2 4,-0.1 -2,-0.0 -0.981 14.5 178.6-121.6 120.8 28.8 23.4 48.8 5 428 A C > - 0 0 13 -2,-0.5 3,-1.8 36,-0.1 38,-0.1 -0.596 47.7 -86.0-113.0 176.4 32.4 24.5 48.1 6 429 A R T 3 S+ 0 0 145 36,-0.5 37,-0.1 1,-0.3 -1,-0.0 0.780 128.5 41.0 -46.2 -33.4 35.4 25.8 50.2 7 430 A Q T 3 S+ 0 0 38 2,-0.0 20,-1.9 19,-0.0 -1,-0.3 0.297 85.0 120.4-109.2 8.6 34.1 29.4 49.7 8 431 A C S < S- 0 0 19 -3,-1.8 -4,-0.1 18,-0.2 5,-0.1 -0.495 71.3-103.3 -70.1 141.7 30.4 28.8 50.2 9 432 A P >> - 0 0 19 0, 0.0 4,-1.3 0, 0.0 3,-0.8 -0.283 30.2-110.9 -63.7 152.2 28.8 30.7 53.1 10 433 A E H 3> S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.835 113.7 61.9 -54.0 -40.1 28.0 28.8 56.4 11 434 A Y H 3> S+ 0 0 155 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.876 103.0 51.9 -60.3 -35.3 24.2 28.9 56.0 12 435 A R H X4 S+ 0 0 68 -3,-0.8 3,-1.1 1,-0.2 4,-0.4 0.931 107.6 52.9 -60.4 -47.1 24.6 26.9 52.7 13 436 A R H >< S+ 0 0 154 -4,-1.3 3,-1.3 1,-0.3 -2,-0.2 0.911 107.0 49.2 -59.2 -47.1 26.6 24.3 54.5 14 437 A Q H 3< S+ 0 0 133 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.568 105.8 59.8 -73.3 -7.7 24.2 23.6 57.3 15 438 A A T << S+ 0 0 60 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.456 79.7 106.5-101.3 -4.3 21.3 23.2 54.9 16 439 A A S < S- 0 0 38 -3,-1.3 -3,-0.0 -4,-0.4 -13,-0.0 -0.271 89.0 -82.4 -67.8 161.6 22.6 20.3 52.8 17 440 A Q - 0 0 175 1,-0.1 -1,-0.1 -15,-0.0 -2,-0.1 -0.505 55.9-117.1 -66.1 132.0 21.2 16.9 53.3 18 441 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.257 31.0 -91.0 -75.2 158.7 22.8 15.3 56.3 19 442 A P - 0 0 116 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.164 42.9-105.0 -61.2 158.3 24.9 12.1 56.3 20 443 A H - 0 0 166 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.634 30.6-147.1 -84.7 143.2 23.4 8.7 56.8 21 444 A a 0 0 104 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.960 360.0 360.0-117.2 133.8 23.9 6.9 60.1 22 445 A P 0 0 162 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.159 360.0 360.0 -52.7 360.0 24.3 3.1 60.6 23 ! 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 24 473 A D 0 0 204 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.3 38.3 36.0 51.1 25 474 A Y - 0 0 65 1,-0.0 2,-0.4 -17,-0.0 0, 0.0 -0.248 360.0-162.7 -61.6 141.0 35.7 35.4 48.4 26 475 A V - 0 0 86 -17,-0.0 -18,-0.2 -18,-0.0 -19,-0.0 -0.995 26.5-108.6-129.2 129.4 32.2 34.1 49.4 27 476 A C - 0 0 11 -20,-1.9 2,-0.1 -2,-0.4 6,-0.0 -0.342 32.0-142.0 -62.9 121.4 29.8 32.5 46.9 28 477 A P > - 0 0 48 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.315 23.2-109.9 -74.1 161.9 26.8 34.7 46.0 29 478 A L T 3 S+ 0 0 94 1,-0.2 -2,-0.1 -2,-0.1 0, 0.0 0.882 118.1 43.9 -61.9 -41.3 23.2 33.4 45.5 30 479 A Q T 3 S+ 0 0 166 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.406 96.5 99.8 -89.4 1.8 23.2 34.0 41.8 31 480 A G < - 0 0 37 -3,-0.9 2,-0.2 1,-0.1 15,-0.1 -0.312 60.3-144.6 -80.5 169.6 26.7 32.6 41.3 32 481 A S - 0 0 71 13,-0.4 13,-2.9 -2,-0.1 2,-0.3 -0.776 3.3-126.6-131.0 174.4 27.6 29.1 40.0 33 482 A H E -A 44 0A 45 11,-0.3 2,-0.3 -2,-0.2 -29,-0.0 -0.908 10.7-161.7-122.8 150.6 30.2 26.4 40.5 34 483 A A E -A 43 0A 12 9,-2.7 9,-2.3 -2,-0.3 2,-0.5 -0.955 24.1-120.8-124.3 150.3 32.4 24.4 38.2 35 484 A L E -A 42 0A 102 -2,-0.3 2,-0.3 7,-0.2 6,-0.1 -0.778 27.8-114.8 -91.1 131.9 34.1 21.1 39.0 36 485 A C > - 0 0 1 5,-2.5 4,-2.2 -2,-0.5 32,-0.2 -0.485 17.9-140.7 -60.7 125.5 37.9 21.0 38.8 37 486 A T T 4 S+ 0 0 62 30,-2.9 -1,-0.2 -2,-0.3 31,-0.2 0.742 98.3 44.8 -59.8 -25.5 38.8 18.6 36.0 38 487 A C T 4 S+ 0 0 11 29,-0.2 -1,-0.2 3,-0.1 30,-0.1 0.935 128.5 17.1 -85.6 -55.9 41.6 17.2 38.2 39 488 A C T 4 S- 0 0 10 2,-0.2 -2,-0.2 38,-0.0 -1,-0.1 0.502 89.8-130.8-103.5 -4.3 40.2 16.7 41.7 40 489 A F < + 0 0 146 -4,-2.2 -3,-0.1 1,-0.2 28,-0.0 0.542 61.3 135.7 68.6 8.1 36.5 16.8 40.9 41 490 A Q - 0 0 111 -6,-0.1 -5,-2.5 -5,-0.1 -1,-0.2 -0.673 57.5-110.9 -90.3 143.4 35.9 19.3 43.7 42 491 A P E +A 35 0A 23 0, 0.0 -36,-0.5 0, 0.0 -7,-0.2 -0.411 35.0 176.8 -70.6 143.4 33.6 22.3 43.1 43 492 A M E -A 34 0A 0 -9,-2.3 -9,-2.7 -38,-0.1 2,-0.1 -0.948 44.0 -86.1-136.2 157.5 34.9 25.9 43.0 44 493 A P E -A 33 0A 3 0, 0.0 2,-1.1 0, 0.0 -11,-0.3 -0.462 42.7-124.4 -63.2 136.0 33.0 29.1 42.3 45 494 A D + 0 0 49 -13,-2.9 -13,-0.4 1,-0.1 3,-0.2 -0.730 47.5 155.0 -86.8 99.6 32.9 29.6 38.5 46 495 A R > + 0 0 37 -2,-1.1 4,-2.3 1,-0.1 -1,-0.1 0.060 32.1 111.8-113.5 22.8 34.4 33.1 38.1 47 496 A R H > S+ 0 0 59 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.910 77.8 50.7 -65.6 -43.8 35.6 32.8 34.5 48 497 A V H > S+ 0 0 108 1,-0.2 4,-0.5 2,-0.2 3,-0.5 0.941 111.3 49.8 -59.8 -46.9 33.1 35.3 33.1 49 498 A E H >4 S+ 0 0 79 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.927 106.9 55.1 -52.1 -49.3 34.1 37.8 35.8 50 499 A R H >< S+ 0 0 92 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.805 91.4 73.8 -59.7 -30.0 37.8 37.3 35.0 51 500 A E H 3< S+ 0 0 135 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.784 113.5 24.7 -55.5 -28.8 37.1 38.2 31.3 52 501 A Q T << S+ 0 0 176 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.130 127.0 51.3-123.6 17.8 36.8 41.9 32.4 53 502 A D X - 0 0 31 -3,-1.4 3,-1.8 -4,-0.2 -1,-0.2 -0.643 58.3-174.0-152.9 90.7 38.8 41.6 35.6 54 503 A P T 3 S+ 0 0 106 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.516 76.2 82.8 -64.3 -4.9 42.3 40.1 35.1 55 504 A R T 3 S+ 0 0 213 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.739 71.1 89.5 -72.7 -23.4 42.7 40.2 38.9 56 505 A V S < S- 0 0 9 -3,-1.8 3,-0.1 -6,-0.1 -3,-0.1 -0.593 90.5-110.9 -73.5 132.2 40.8 37.0 39.2 57 506 A A - 0 0 32 -2,-0.3 -11,-0.1 15,-0.1 -7,-0.1 -0.318 39.5 -92.9 -62.6 145.4 43.1 33.9 39.1 58 507 A P - 0 0 26 0, 0.0 14,-0.3 0, 0.0 13,-0.2 -0.310 37.5-175.8 -54.7 138.9 42.8 31.7 36.0 59 508 A Q + 0 0 4 12,-0.1 9,-1.7 -3,-0.1 2,-0.3 0.152 60.6 49.1-123.5 14.8 40.4 28.8 36.5 60 509 A Q B S-B 67 0B 66 7,-0.3 2,-0.4 9,-0.1 -1,-0.1 -0.995 83.8-100.7-152.5 156.0 40.9 27.0 33.1 61 510 A C > - 0 0 0 5,-2.2 4,-1.9 -2,-0.3 90,-0.2 -0.633 26.3-144.1 -75.3 127.8 43.6 25.7 30.7 62 511 A A T 4 S+ 0 0 60 88,-2.8 89,-0.2 -2,-0.4 -1,-0.1 0.618 96.9 47.4 -70.8 -11.9 44.1 28.1 27.8 63 512 A V T 4 S+ 0 0 40 87,-0.2 -1,-0.2 3,-0.1 88,-0.1 0.899 127.7 17.6 -93.4 -53.8 44.6 25.1 25.5 64 513 A C T 4 S- 0 0 45 2,-0.1 -2,-0.2 0, 0.0 87,-0.1 0.549 90.8-137.3-100.4 -9.3 41.7 22.7 26.2 65 514 A L < + 0 0 94 -4,-1.9 -3,-0.1 1,-0.2 86,-0.0 0.538 53.7 141.0 66.7 10.4 39.5 25.2 28.0 66 515 A Q - 0 0 98 1,-0.1 -5,-2.2 -5,-0.0 -1,-0.2 -0.535 56.1-104.1 -79.9 150.8 38.6 22.8 30.8 67 516 A P B +B 60 0B 14 0, 0.0 -30,-2.9 0, 0.0 2,-0.3 -0.537 38.8 175.1 -79.8 140.7 38.4 24.1 34.4 68 517 A F - 0 0 17 -9,-1.7 4,-0.3 -32,-0.2 3,-0.2 -0.989 22.5-150.7-141.1 146.2 41.1 23.4 37.0 69 518 A C >> + 0 0 1 -2,-0.3 4,-2.5 1,-0.1 5,-0.8 0.500 67.0 97.6 -95.6 -4.7 41.3 24.8 40.6 70 519 A H H >5S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.889 87.3 38.4 -61.5 -50.7 45.0 25.0 41.3 71 520 A L H 45S+ 0 0 65 1,-0.2 -1,-0.2 2,-0.2 -12,-0.1 0.840 115.9 56.4 -68.2 -31.4 45.9 28.6 40.6 72 521 A Y H 45S- 0 0 33 -14,-0.3 -2,-0.2 -4,-0.3 -1,-0.2 0.949 139.1 -24.0 -66.9 -49.1 42.6 29.7 42.1 73 522 A W H <5S- 0 0 42 -4,-2.5 -3,-0.2 -16,-0.0 -2,-0.2 0.369 100.4 -80.6-150.8 10.0 43.0 28.1 45.5 74 523 A G << - 0 0 25 -4,-1.8 2,-0.3 -5,-0.8 -4,-0.1 0.635 39.7-131.4 89.0 115.8 45.4 25.1 45.4 75 524 A C - 0 0 10 9,-0.1 2,-0.4 2,-0.0 9,-0.1 -0.771 17.8-163.0 -98.6 142.7 44.4 21.7 44.3 76 525 A T + 0 0 130 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.975 28.6 125.2-130.6 123.9 45.2 18.5 46.3 77 526 A R > - 0 0 112 -2,-0.4 3,-2.8 3,-0.4 2,-0.3 -0.887 62.1-100.3-168.0 140.3 45.1 15.0 45.0 78 527 A T T 3 S+ 0 0 142 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.514 118.7 28.5 -61.6 122.6 47.5 12.0 44.9 79 528 A G T 3 S+ 0 0 43 -2,-0.3 2,-0.6 1,-0.3 -1,-0.3 0.122 95.9 113.9 103.7 -18.4 48.7 12.2 41.3 80 529 A C < + 0 0 26 -3,-2.8 -3,-0.4 1,-0.1 -1,-0.3 -0.801 37.0 175.8 -88.7 119.2 48.2 15.9 41.2 81 530 A Y S S- 0 0 101 -2,-0.6 -1,-0.1 10,-0.2 12,-0.1 0.480 78.4 -53.9 -92.4 -7.2 51.5 17.7 40.8 82 531 A G - 0 0 6 8,-0.1 9,-0.6 10,-0.1 -1,-0.1 0.401 62.0-150.8 116.4 83.7 50.0 21.2 40.5 83 532 A C S S+ 0 0 4 7,-0.1 70,-1.1 69,-0.1 2,-0.4 0.431 71.9 43.1 -79.4 -3.7 47.5 20.9 37.7 84 533 A L E +C 152 0C 0 68,-0.2 68,-0.2 69,-0.1 -9,-0.1 -0.980 69.4 122.6-143.7 129.0 47.5 24.4 36.3 85 534 A A E -C 151 0C 13 66,-1.9 66,-2.4 -2,-0.4 5,-0.2 -0.969 66.0 -71.2-169.7 156.9 50.5 26.7 35.7 86 535 A P E >> -C 150 0C 32 0, 0.0 3,-2.1 0, 0.0 4,-0.7 -0.434 56.2-116.2 -53.2 137.6 52.4 28.7 33.1 87 536 A F G >4 S+ 0 0 0 62,-2.3 3,-1.2 59,-0.4 61,-0.2 0.863 113.2 57.0 -50.8 -45.7 54.0 26.1 30.9 88 537 A C G 34 S+ 0 0 44 59,-2.8 -1,-0.3 1,-0.3 60,-0.1 0.680 117.0 36.5 -63.8 -16.4 57.6 27.1 31.9 89 538 A E G <4 S+ 0 0 125 -3,-2.1 -1,-0.3 58,-0.3 -2,-0.2 0.367 86.3 128.7-115.8 1.3 56.7 26.5 35.5 90 539 A L << - 0 0 0 -3,-1.2 2,-0.8 -4,-0.7 -7,-0.1 -0.365 59.1-127.9 -63.8 133.1 54.4 23.5 35.2 91 540 A N + 0 0 85 -9,-0.6 -10,-0.2 1,-0.2 -1,-0.1 -0.726 27.9 177.6 -84.5 109.8 55.2 20.5 37.4 92 541 A L - 0 0 1 -2,-0.8 3,-0.2 1,-0.2 -1,-0.2 0.532 43.7-114.0 -91.4 -5.8 55.4 17.4 35.1 93 542 A G > - 0 0 10 1,-0.1 3,-1.3 -12,-0.1 -1,-0.2 0.035 27.6 -80.0 90.7 159.3 56.3 15.0 37.8 94 543 A D T 3 S+ 0 0 147 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.685 126.6 52.0 -70.1 -19.9 59.5 12.9 38.5 95 544 A K T > S+ 0 0 137 1,-0.2 3,-1.6 -3,-0.2 -1,-0.3 0.197 70.5 112.8-102.7 17.3 58.5 10.3 36.0 96 545 A C T < S+ 0 0 10 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.677 73.6 58.6 -68.3 -14.6 57.9 12.6 33.0 97 546 A L T > S+ 0 0 26 -3,-0.3 3,-1.6 -4,-0.1 2,-0.4 0.652 80.3 106.6 -85.3 -14.7 60.9 11.2 31.2 98 547 A D T < S- 0 0 85 -3,-1.6 7,-0.1 1,-0.3 5,-0.1 -0.498 104.7 -12.7 -66.8 120.8 59.4 7.7 31.3 99 548 A G T 3> S+ 0 0 15 -2,-0.4 4,-1.4 5,-0.2 -1,-0.3 0.669 93.0 141.4 60.9 16.8 58.1 6.8 27.8 100 549 A V T <4 + 0 0 5 -3,-1.6 2,-0.8 3,-0.2 65,-0.2 0.825 58.2 63.9 -61.9 -30.9 58.6 10.5 26.9 101 550 A L T >4 S- 0 0 0 -4,-0.4 3,-2.5 3,-0.3 7,-0.3 -0.851 136.1 -36.3 -98.5 110.1 59.8 9.5 23.4 102 551 A N T 34 S- 0 0 34 -2,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.705 100.5 -77.3 59.5 21.9 57.1 7.7 21.4 103 552 A N T 3< S+ 0 0 127 -4,-1.4 2,-0.6 1,-0.2 -1,-0.3 0.873 100.5 139.7 49.1 37.0 55.9 6.0 24.5 104 553 A N <> - 0 0 2 -3,-2.5 4,-2.6 -5,-0.1 -3,-0.3 -0.943 44.9-162.0-118.6 109.0 58.9 3.9 23.9 105 554 A S H > S+ 0 0 82 -2,-0.6 4,-2.3 1,-0.2 -1,-0.1 0.825 89.7 53.0 -66.0 -30.1 60.9 3.0 27.0 106 555 A Y H > S+ 0 0 69 89,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.924 113.1 41.8 -70.6 -46.6 64.0 2.0 25.1 107 556 A E H > S+ 0 0 0 -6,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.899 116.0 51.7 -65.4 -39.9 64.2 5.3 23.3 108 557 A S H X S+ 0 0 0 -4,-2.6 4,-2.4 -7,-0.3 -2,-0.2 0.882 105.8 53.6 -65.8 -39.3 63.3 7.2 26.4 109 558 A D H X S+ 0 0 69 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.866 103.5 57.8 -64.2 -34.1 66.0 5.4 28.5 110 559 A I H X S+ 0 0 13 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.954 109.0 44.7 -61.0 -46.3 68.6 6.6 25.9 111 560 A L H X S+ 0 0 1 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.914 110.8 54.0 -64.0 -42.8 67.6 10.2 26.5 112 561 A K H X S+ 0 0 59 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.895 110.4 47.6 -55.4 -42.8 67.6 9.7 30.3 113 562 A N H X S+ 0 0 106 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.900 109.8 51.9 -67.0 -41.8 71.1 8.3 30.1 114 563 A Y H X S+ 0 0 34 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.919 114.7 42.8 -59.7 -44.6 72.2 11.2 27.9 115 564 A L H <>S+ 0 0 2 -4,-2.6 5,-3.0 2,-0.2 4,-0.3 0.909 114.4 49.0 -70.3 -42.8 70.9 13.7 30.4 116 565 A A H ><5S+ 0 0 72 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.889 105.3 58.9 -66.3 -37.6 72.1 11.9 33.5 117 566 A T H 3<5S+ 0 0 110 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.862 113.5 38.9 -57.5 -34.7 75.6 11.6 31.9 118 567 A R T 3<5S- 0 0 88 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.362 115.0-113.4-100.4 6.8 75.7 15.4 31.7 119 568 A G T < 5 + 0 0 63 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.2 0.776 67.9 146.1 66.3 27.7 74.0 16.1 35.0 120 569 A L < - 0 0 54 -5,-3.0 -1,-0.2 -6,-0.2 2,-0.2 -0.713 34.9-151.6 -95.9 148.4 71.0 17.6 33.2 121 570 A T > - 0 0 71 -2,-0.3 4,-1.9 1,-0.1 3,-0.3 -0.668 34.1-103.3-108.5 168.9 67.4 17.3 34.4 122 571 A W H > S+ 0 0 38 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.848 123.3 58.6 -58.3 -33.2 64.1 17.4 32.5 123 572 A K H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 103.6 49.5 -62.3 -43.7 63.7 21.0 33.6 124 573 A N H > S+ 0 0 74 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.904 111.6 50.1 -60.6 -42.3 67.0 21.9 32.0 125 574 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.893 110.4 49.1 -65.3 -40.8 65.9 20.3 28.8 126 575 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.928 108.9 52.6 -63.9 -44.6 62.5 22.1 28.8 127 576 A T H X S+ 0 0 84 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.926 113.0 44.1 -56.8 -46.4 64.2 25.4 29.4 128 577 A E H X S+ 0 0 115 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.895 113.6 51.3 -65.0 -41.3 66.5 24.9 26.4 129 578 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.864 106.9 53.3 -64.4 -36.1 63.6 23.6 24.3 130 579 A L H X S+ 0 0 25 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.779 104.5 55.6 -74.2 -26.9 61.4 26.6 25.2 131 580 A V H X S+ 0 0 92 -4,-1.3 4,-1.7 -5,-0.2 -1,-0.2 0.944 110.4 45.3 -64.8 -46.5 64.2 28.9 24.0 132 581 A A H X>S+ 0 0 16 -4,-1.7 5,-2.5 1,-0.2 6,-1.1 0.881 110.2 54.8 -63.5 -40.9 64.1 27.1 20.6 133 582 A L H ><5S+ 0 0 26 -4,-2.4 3,-0.9 4,-0.2 -1,-0.2 0.933 106.9 50.9 -57.1 -45.6 60.3 27.2 20.6 134 583 A Q H 3<5S+ 0 0 171 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.861 109.5 49.8 -64.8 -34.3 60.5 31.0 21.0 135 584 A R H 3<5S- 0 0 206 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.644 116.4-114.2 -76.2 -14.6 62.9 31.4 18.1 136 585 A G T <<5S+ 0 0 49 -4,-0.9 -3,-0.2 -3,-0.9 -2,-0.1 0.614 87.9 116.2 87.0 13.9 60.7 29.3 15.9 137 586 A V S S- 0 0 48 1,-0.2 3,-2.1 13,-0.1 -1,-0.2 -0.659 88.1-174.4 -80.5 81.9 49.3 23.5 19.7 143 592 A Y T 3 + 0 0 190 -2,-1.9 -1,-0.2 1,-0.3 -3,-0.1 0.627 68.6 56.3 -72.2 -12.4 51.1 26.1 17.7 144 593 A R T 3 S+ 0 0 203 -3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.465 79.2 115.5 -96.4 2.0 50.2 29.1 19.8 145 594 A V < + 0 0 10 -3,-2.1 2,-0.3 3,-0.1 -5,-0.1 -0.484 39.8 175.9 -71.5 133.2 51.5 27.7 23.1 146 595 A T > - 0 0 64 -2,-0.2 3,-1.4 1,-0.0 -59,-0.4 -0.825 50.5 -94.5-123.9 173.1 54.5 29.5 24.6 147 596 A G T 3 S+ 0 0 15 -2,-0.3 -59,-2.8 1,-0.2 -58,-0.3 0.741 126.7 54.8 -54.2 -21.9 56.4 29.1 27.9 148 597 A D T 3 S+ 0 0 129 -61,-0.2 -1,-0.2 -62,-0.2 2,-0.1 0.620 78.7 115.1 -91.9 -13.4 54.0 31.7 29.3 149 598 A T < - 0 0 25 -3,-1.4 -62,-2.3 -63,-0.1 2,-0.8 -0.344 67.3-129.9 -57.0 131.0 50.7 30.0 28.4 150 599 A V E +C 86 0C 36 -64,-0.2 -88,-2.8 -63,-0.1 2,-0.3 -0.755 48.2 153.9 -84.2 109.6 48.7 28.9 31.4 151 600 A L E -C 85 0C 0 -66,-2.4 -66,-1.9 -2,-0.8 2,-0.1 -0.835 39.1-102.1-137.7 170.8 47.8 25.3 30.8 152 601 A C E > -C 84 0C 4 -2,-0.3 4,-2.8 -68,-0.2 5,-0.3 -0.348 39.0 -98.2 -92.2 172.4 47.0 22.0 32.5 153 602 A Y H > S+ 0 0 71 -70,-1.1 4,-2.6 1,-0.2 5,-0.2 0.928 120.8 45.8 -51.7 -54.1 49.1 18.9 33.3 154 603 A b H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.900 115.6 44.5 -62.9 -44.2 47.8 16.9 30.3 155 604 A C H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 115.1 48.8 -67.4 -41.6 48.2 19.7 27.7 156 605 A G H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.913 111.4 50.4 -60.6 -42.1 51.6 20.7 29.1 157 606 A L H X S+ 0 0 26 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.916 107.1 53.9 -64.4 -42.9 52.7 17.1 29.0 158 607 A R H X S+ 0 0 88 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.908 113.7 41.7 -57.7 -45.0 51.5 16.7 25.4 159 608 A S H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.841 109.6 58.3 -72.1 -33.8 53.6 19.7 24.3 160 609 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.880 103.7 53.9 -61.3 -36.6 56.6 18.6 26.5 161 610 A R H X S+ 0 0 96 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.926 110.2 46.1 -64.0 -42.7 56.6 15.3 24.5 162 611 A E H X S+ 0 0 48 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.912 114.6 46.1 -65.5 -44.0 56.8 17.2 21.2 163 612 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.882 112.3 52.1 -64.2 -38.8 59.6 19.5 22.4 164 613 A T H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.880 105.2 54.3 -67.7 -37.7 61.5 16.6 23.9 165 614 A Y H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.922 110.7 46.8 -61.2 -42.9 61.4 14.7 20.6 166 615 A Q H X S+ 0 0 27 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.902 110.1 52.6 -67.6 -38.6 62.9 17.7 18.9 167 616 A Y H >< S+ 0 0 12 -4,-2.4 3,-0.7 1,-0.2 4,-0.2 0.946 111.5 47.0 -57.0 -50.4 65.6 18.0 21.6 168 617 A R H >< S+ 0 0 18 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.901 107.6 57.0 -56.6 -46.4 66.5 14.3 21.2 169 618 A Q H 3< S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.761 103.7 54.7 -54.9 -31.1 66.6 14.8 17.4 170 619 A N T << S+ 0 0 109 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.398 78.7 108.6 -93.1 3.3 69.1 17.5 17.7 171 620 A I S < S- 0 0 15 -3,-1.7 5,-0.1 -4,-0.2 2,-0.0 -0.685 76.6-117.0 -77.7 126.6 71.7 15.5 19.8 172 621 A P > - 0 0 70 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.386 15.8-124.7 -63.0 141.6 74.7 14.7 17.6 173 622 A A G > S+ 0 0 61 1,-0.3 3,-1.6 2,-0.2 8,-0.2 0.811 109.9 64.5 -55.4 -32.6 75.3 11.0 17.0 174 623 A S G 3 S+ 0 0 103 1,-0.3 -1,-0.3 7,-0.0 4,-0.1 0.665 96.5 58.2 -65.2 -16.7 78.8 11.3 18.4 175 624 A E G < S+ 0 0 96 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.427 98.8 71.1 -94.2 -0.2 77.3 12.2 21.7 176 625 A L S < S- 0 0 15 -3,-1.6 5,-0.1 -4,-0.2 -66,-0.0 -0.824 97.6 -87.9-112.6 155.3 75.4 9.0 22.0 177 626 A P >> - 0 0 79 0, 0.0 4,-1.5 0, 0.0 3,-1.3 -0.229 35.4-121.6 -55.2 149.6 76.7 5.5 22.6 178 627 A V H 3> S+ 0 0 107 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.787 112.8 65.5 -67.5 -25.0 77.7 3.6 19.5 179 628 A A H 34 S+ 0 0 67 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.748 104.0 47.6 -65.9 -24.8 75.2 0.9 20.4 180 629 A V H X4 S+ 0 0 10 -3,-1.3 3,-0.9 2,-0.1 -2,-0.2 0.928 114.7 42.2 -76.4 -49.9 72.5 3.6 19.9 181 630 A T H 3< S+ 0 0 59 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.627 102.6 68.6 -78.0 -16.6 73.7 5.0 16.6 182 631 A S T 3< S+ 0 0 89 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 0.697 77.2 101.1 -73.8 -19.7 74.4 1.5 15.1 183 632 A R S < S- 0 0 23 -3,-0.9 21,-0.2 -4,-0.2 3,-0.1 -0.498 76.8-121.4 -72.9 131.0 70.7 0.7 15.0 184 633 A P - 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