==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REPLICATION, SIGNALING PROTEIN 24-AUG-04 1X9Z . COMPND 2 MOLECULE: DNA MISMATCH REPAIR PROTEIN MUTL; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.GUARNE,S.RAMON-MAIQUES,E.M.WOLFF,R.GHIRLANDO,X.HU,J.H.MILL . 364 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19633.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 17.9 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 23 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 0 1 1 0 1 1 2 2 2 0 2 0 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 . 0 0 2 2 2 3 1 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 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 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 Q 0 0 166 0, 0.0 2,-0.3 0, 0.0 159,-0.1 0.000 360.0 360.0 360.0-162.1 -1.9 54.5 19.3 2 434 A S - 0 0 45 158,-0.1 3,-0.1 1,-0.1 148,-0.1 -0.990 360.0-130.8-149.4 153.2 -0.2 54.6 15.9 3 435 A F - 0 0 7 -2,-0.3 2,-0.3 1,-0.3 21,-0.1 0.634 66.0-118.1 -76.4 -15.1 1.2 57.0 13.3 4 436 A G - 0 0 24 13,-0.1 2,-0.5 2,-0.0 -1,-0.3 -0.820 49.7 -23.2 117.9-157.3 -0.9 55.3 10.7 5 437 A R E -A 18 0A 177 13,-2.5 13,-1.5 -2,-0.3 2,-0.4 -0.855 57.2-126.2-101.2 130.4 -0.3 53.3 7.6 6 438 A V E +A 17 0A 18 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.611 30.3 178.0 -72.9 124.2 3.0 53.8 5.7 7 439 A L E - 0 0 65 9,-3.3 2,-0.3 -2,-0.4 -1,-0.2 0.883 55.1 -29.8 -95.7 -48.9 2.1 54.6 2.1 8 440 A T E -A 16 0A 65 8,-0.8 8,-2.6 133,-0.1 2,-0.5 -0.971 61.7 -96.7-163.0 164.6 5.4 55.2 0.3 9 441 A I E -A 15 0A 32 -2,-0.3 2,-0.5 6,-0.2 6,-0.2 -0.817 37.4-157.3 -93.0 129.8 8.9 56.5 0.9 10 442 A V E >> -A 14 0A 36 4,-2.2 4,-1.5 -2,-0.5 3,-0.8 -0.922 65.7 -12.6-112.5 130.8 9.4 60.1 0.0 11 443 A H T 34 S- 0 0 163 -2,-0.5 2,-2.0 1,-0.3 -1,-0.2 0.901 113.8 -71.6 47.4 54.4 12.8 61.6 -0.8 12 444 A S T 34 S+ 0 0 56 -3,-0.2 128,-2.7 1,-0.2 -1,-0.3 0.081 131.6 41.1 56.4 -25.8 14.8 58.7 0.4 13 445 A D T <4 S+ 0 0 62 -2,-2.0 15,-2.3 -3,-0.8 2,-0.3 0.198 95.1 77.1-139.4 24.4 14.2 59.2 4.1 14 446 A C E < -AB 10 27A 22 -4,-1.5 -4,-2.2 13,-0.2 2,-0.4 -0.891 59.4-142.3-128.4 160.8 10.6 60.2 4.8 15 447 A A E -AB 9 26A 0 11,-2.5 11,-2.9 -2,-0.3 2,-0.5 -0.992 10.4-140.1-127.4 130.4 7.4 58.2 4.9 16 448 A L E -AB 8 25A 43 -8,-2.6 -9,-3.3 -2,-0.4 -8,-0.8 -0.786 32.4-165.8 -86.5 128.1 4.1 59.5 3.6 17 449 A L E -AB 6 24A 2 7,-3.5 7,-2.3 -2,-0.5 2,-0.4 -0.834 18.1-155.8-120.1 158.9 1.4 58.3 6.2 18 450 A E E +AB 5 23A 64 -13,-1.5 -13,-2.5 -2,-0.3 2,-0.3 -0.999 17.7 164.0-133.2 130.0 -2.4 58.0 6.3 19 451 A R E > S- B 0 22A 98 3,-2.2 3,-1.8 -2,-0.4 -2,-0.0 -0.874 74.7 -21.4-150.9 113.2 -4.4 58.0 9.5 20 452 A D T 3 S- 0 0 141 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.950 127.1 -48.5 51.3 57.2 -8.2 58.6 9.4 21 453 A G T 3 S+ 0 0 56 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.367 113.6 122.0 70.6 -10.0 -8.2 60.3 6.1 22 454 A N E < -B 19 0A 106 -3,-1.8 -3,-2.2 150,-0.0 2,-0.5 -0.694 51.5-148.8 -90.2 139.3 -5.3 62.6 7.2 23 455 A I E +B 18 0A 31 148,-0.5 148,-3.0 -2,-0.3 2,-0.3 -0.918 20.7 174.7-108.9 130.7 -2.1 62.6 5.2 24 456 A S E -BC 17 170A 19 -7,-2.3 -7,-3.5 -2,-0.5 2,-0.5 -0.915 26.9-138.3-133.0 159.3 1.3 63.2 6.9 25 457 A L E -BC 16 169A 60 144,-2.9 144,-2.6 -2,-0.3 2,-0.4 -0.976 24.3-166.3-119.2 117.3 5.0 63.3 6.1 26 458 A L E -BC 15 168A 0 -11,-2.9 -11,-2.5 -2,-0.5 2,-0.7 -0.896 19.4-131.2-113.1 136.1 7.3 61.7 8.7 27 459 A S E > -B 14 0A 28 140,-2.6 4,-2.0 -2,-0.4 -13,-0.2 -0.719 13.4-161.5 -81.7 113.0 11.1 62.0 8.9 28 460 A L H > S+ 0 0 0 -15,-2.3 4,-3.3 -2,-0.7 5,-0.2 0.880 87.4 57.3 -65.7 -37.1 12.5 58.5 9.4 29 461 A P H > S+ 0 0 41 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.897 109.0 47.0 -60.7 -39.1 15.9 59.7 10.8 30 462 A V H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.937 113.3 47.8 -68.4 -43.9 14.1 61.6 13.5 31 463 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.921 110.5 52.1 -61.9 -42.5 12.0 58.6 14.4 32 464 A E H X S+ 0 0 38 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.918 108.2 52.8 -59.8 -41.5 15.1 56.4 14.4 33 465 A R H X S+ 0 0 84 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.945 108.5 47.6 -60.3 -49.4 16.7 58.7 16.8 34 466 A W H X S+ 0 0 87 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.904 112.7 51.6 -60.2 -38.4 13.8 58.7 19.3 35 467 A L H X S+ 0 0 6 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.952 110.5 46.5 -61.9 -50.4 13.8 54.9 19.0 36 468 A R H X S+ 0 0 38 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.886 109.5 54.3 -61.1 -39.6 17.5 54.6 19.7 37 469 A Q H X S+ 0 0 37 -4,-2.6 4,-1.6 1,-0.2 3,-0.3 0.944 111.2 45.4 -61.2 -45.2 17.4 56.9 22.6 38 470 A A H < S+ 0 0 2 -4,-2.1 6,-0.3 1,-0.2 -1,-0.2 0.862 111.5 51.9 -65.8 -37.1 14.6 54.9 24.2 39 471 A Q H < S+ 0 0 52 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.753 115.7 42.1 -70.5 -23.6 16.4 51.6 23.6 40 472 A L H < S+ 0 0 5 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.653 94.7 94.5 -95.0 -19.1 19.6 53.0 25.2 41 473 A T S >X S- 0 0 17 -4,-1.6 3,-2.1 -5,-0.2 4,-0.6 -0.639 78.9-124.6 -82.5 119.4 17.9 54.7 28.2 42 474 A P B 34 S+d 45 0B 52 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.428 99.8 30.4 -60.8 123.9 17.7 52.6 31.4 43 475 A G T 34 S+ 0 0 80 2,-0.8 -5,-0.1 -2,-0.2 -2,-0.0 0.316 109.7 66.1 109.3 -7.9 14.0 52.6 32.2 44 476 A E T <4 S- 0 0 99 -3,-2.1 -6,-0.1 1,-0.4 -4,-0.1 0.411 113.8 -0.6-121.0 -6.2 12.5 52.7 28.7 45 477 A A B < S-d 42 0B 22 -4,-0.6 -2,-0.8 -6,-0.1 -1,-0.4 -0.959 92.6 -68.7-172.9 163.0 13.7 49.3 27.5 46 478 A P - 0 0 128 0, 0.0 2,-0.5 0, 0.0 -5,-0.0 -0.470 44.7-161.4 -66.7 130.1 15.7 46.3 28.5 47 479 A V + 0 0 51 -2,-0.2 2,-0.4 48,-0.1 32,-0.1 -0.955 18.3 162.8-119.2 115.3 19.5 47.1 29.0 48 480 A C - 0 0 80 -2,-0.5 48,-0.6 30,-0.2 46,-0.1 -0.990 38.4-120.2-135.6 125.5 21.9 44.2 29.0 49 481 A A E -E 95 0C 34 -2,-0.4 31,-0.1 46,-0.2 30,-0.1 -0.365 27.4-152.5 -61.4 137.9 25.7 44.4 28.4 50 482 A Q E -E 94 0C 49 44,-1.9 44,-1.9 29,-0.5 -1,-0.1 -0.973 17.3-118.8-119.0 121.4 26.8 42.3 25.4 51 483 A P E -E 93 0C 98 0, 0.0 42,-0.3 0, 0.0 2,-0.2 -0.245 26.5-122.6 -58.9 135.5 30.3 40.9 25.3 52 484 A L E - 0 0 18 40,-2.9 47,-0.0 1,-0.1 41,-0.0 -0.555 9.0-134.1 -79.0 144.9 32.5 42.0 22.4 53 485 A L E S+ 0 0 148 1,-0.3 -1,-0.1 -2,-0.2 39,-0.0 0.995 101.7 12.2 -57.0 -62.5 34.0 39.3 20.1 54 486 A I E S- 0 0 126 -3,-0.1 -1,-0.3 0, 0.0 0, 0.0 -0.972 95.6-119.7-119.6 115.5 37.3 41.0 20.4 55 487 A P E - 0 0 62 0, 0.0 2,-0.8 0, 0.0 37,-0.2 -0.205 25.2-124.6 -52.4 143.3 37.6 43.7 23.1 56 488 A L E -E 91 0C 23 35,-1.7 35,-2.8 2,-0.0 2,-0.5 -0.850 25.6-165.1 -98.1 110.5 38.5 47.1 21.7 57 489 A R E -E 90 0C 126 -2,-0.8 2,-0.4 33,-0.3 33,-0.3 -0.821 11.4-178.9 -96.9 131.4 41.6 48.5 23.4 58 490 A L E -E 89 0C 25 31,-3.3 31,-2.1 -2,-0.5 2,-0.3 -0.974 28.2-122.3-134.3 146.8 42.3 52.2 22.9 59 491 A K E -E 88 0C 120 -2,-0.4 2,-0.3 29,-0.2 29,-0.3 -0.663 35.9-175.7 -84.1 139.8 45.0 54.6 23.9 60 492 A V - 0 0 5 27,-2.9 -2,-0.0 -2,-0.3 0, 0.0 -0.992 25.8-115.4-138.8 145.4 43.6 57.5 25.9 61 493 A S > - 0 0 30 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.253 38.6-105.4 -68.9 166.8 45.1 60.7 27.4 62 494 A A H > S+ 0 0 81 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.859 123.0 52.7 -63.8 -35.8 45.2 61.0 31.2 63 495 A E H > S+ 0 0 127 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.829 112.3 45.2 -69.8 -29.8 42.4 63.6 31.0 64 496 A E H > S+ 0 0 1 2,-0.2 4,-2.8 -3,-0.2 -2,-0.2 0.902 113.1 50.3 -77.1 -40.8 40.3 61.1 29.0 65 497 A K H X S+ 0 0 44 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.917 111.1 49.1 -60.0 -46.7 41.2 58.2 31.3 66 498 A S H X S+ 0 0 56 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.855 110.7 50.1 -64.0 -36.2 40.2 60.3 34.3 67 499 A A H X S+ 0 0 10 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.931 109.3 52.2 -69.1 -42.0 36.9 61.2 32.6 68 500 A L H X S+ 0 0 6 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.911 107.4 52.8 -58.8 -42.8 36.3 57.5 31.9 69 501 A E H < S+ 0 0 77 -4,-2.4 3,-0.5 1,-0.2 4,-0.3 0.894 109.8 46.7 -61.6 -42.1 36.9 56.6 35.5 70 502 A K H < S+ 0 0 154 -4,-1.7 4,-0.3 1,-0.2 3,-0.3 0.805 116.0 47.2 -70.6 -26.3 34.4 59.1 36.8 71 503 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 5,-0.3 0.576 80.7 100.9 -90.2 -9.3 31.9 57.9 34.2 72 504 A Q H X S+ 0 0 88 -4,-1.1 4,-2.4 -3,-0.5 -1,-0.2 0.831 83.8 47.5 -42.4 -49.9 32.4 54.2 34.8 73 505 A S H > S+ 0 0 86 -4,-0.3 4,-1.7 -3,-0.3 -1,-0.2 0.921 113.2 46.7 -61.1 -50.5 29.2 54.0 36.9 74 506 A A H > S+ 0 0 5 -4,-0.3 4,-0.7 -3,-0.2 -2,-0.2 0.930 114.6 48.4 -60.5 -44.0 27.0 55.9 34.4 75 507 A L H ><>S+ 0 0 2 -4,-2.9 5,-2.9 1,-0.2 3,-0.8 0.885 107.2 54.0 -64.5 -39.9 28.4 53.8 31.5 76 508 A A H ><5S+ 0 0 44 -4,-2.4 3,-1.3 -5,-0.3 -1,-0.2 0.851 102.0 59.2 -63.9 -33.0 27.8 50.5 33.3 77 509 A E H 3<5S+ 0 0 100 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.785 106.3 49.7 -65.1 -24.6 24.2 51.5 33.8 78 510 A L T <<5S- 0 0 5 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.445 126.4-101.9 -90.4 -2.2 24.0 51.7 30.0 79 511 A G T < 5S+ 0 0 3 -3,-1.3 2,-0.7 -4,-0.3 -29,-0.5 0.626 80.8 133.6 90.4 13.1 25.6 48.3 29.5 80 512 A I < + 0 0 5 -5,-2.9 2,-0.3 14,-0.2 -1,-0.2 -0.872 29.2 174.7-103.1 109.4 29.1 49.7 28.6 81 513 A D E +F 93 0C 63 12,-1.8 11,-2.4 -2,-0.7 12,-1.7 -0.877 3.7 157.7-115.7 148.4 31.8 47.9 30.5 82 514 A F E -F 91 0C 7 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.967 27.2-145.0-157.3 167.2 35.6 48.3 30.3 83 515 A Q E -F 90 0C 123 7,-2.0 7,-3.2 -2,-0.3 2,-0.3 -0.890 23.7-164.5-131.0 161.5 38.9 47.7 32.1 84 516 A S E -F 89 0C 40 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.999 13.0-169.1-153.7 150.7 41.9 50.0 31.8 85 517 A D - 0 0 68 3,-1.1 5,-0.0 -2,-0.3 0, 0.0 -0.368 56.9 -54.4-117.8-159.6 45.6 50.2 32.5 86 518 A A S S+ 0 0 82 1,-0.2 -21,-0.1 -2,-0.1 -2,-0.0 0.908 130.5 7.2 -46.1 -62.6 48.2 53.1 32.4 87 519 A Q S S+ 0 0 108 -28,-0.0 -27,-2.9 -22,-0.0 2,-0.3 0.465 122.6 56.9-105.2 -1.7 47.6 54.4 28.9 88 520 A H E -E 59 0C 45 -29,-0.3 -3,-1.1 2,-0.0 2,-0.4 -0.780 51.3-152.6-133.2 172.3 44.6 52.5 27.7 89 521 A V E -EF 58 84C 0 -31,-2.1 -31,-3.3 -2,-0.3 2,-0.5 -0.979 15.6-154.7-136.9 143.8 41.0 51.5 28.1 90 522 A T E -EF 57 83C 29 -7,-3.2 -7,-2.0 -2,-0.4 2,-0.5 -0.978 10.1-143.7-127.6 118.1 39.6 48.2 26.7 91 523 A I E +EF 56 82C 6 -35,-2.8 -35,-1.7 -2,-0.5 -9,-0.3 -0.691 23.5 172.0 -79.9 121.8 35.8 48.0 26.0 92 524 A R E + 0 0 140 -11,-2.4 -40,-2.9 -2,-0.5 2,-0.3 0.696 61.0 13.1-104.5 -25.7 34.6 44.6 26.9 93 525 A A E -EF 51 81C 8 -12,-1.7 -12,-1.8 -42,-0.3 -1,-0.3 -0.998 53.3-175.6-153.6 149.7 30.8 45.0 26.4 94 526 A V E -E 50 0C 0 -44,-1.9 -44,-1.9 -2,-0.3 -14,-0.2 -0.950 40.2 -88.7-137.9 157.5 28.2 47.3 25.0 95 527 A P E >> -E 49 0C 3 0, 0.0 3,-1.8 0, 0.0 4,-0.9 -0.226 47.6-100.2 -64.4 161.2 24.4 47.3 25.1 96 528 A L G >4 S+ 0 0 117 -48,-0.6 3,-1.0 1,-0.3 4,-0.5 0.864 118.7 59.2 -50.9 -46.9 22.5 45.4 22.3 97 529 A P G 34 S+ 0 0 38 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.732 111.7 43.8 -58.7 -18.4 21.7 48.5 20.1 98 530 A L G X4 S+ 0 0 2 -3,-1.8 3,-2.1 1,-0.1 -2,-0.2 0.610 85.1 92.2-100.8 -13.7 25.4 49.2 19.9 99 531 A R T << S+ 0 0 50 -3,-1.0 4,-0.1 -4,-0.9 -1,-0.1 0.770 93.7 40.9 -53.5 -29.2 26.7 45.7 19.2 100 532 A Q T 3 S+ 0 0 166 -4,-0.5 -1,-0.3 -3,-0.2 2,-0.1 0.276 92.4 102.4-104.9 10.4 26.5 46.2 15.4 101 533 A Q S < S- 0 0 33 -3,-2.1 2,-1.4 1,-0.1 3,-0.1 -0.432 89.9 -96.4 -83.8 168.4 27.8 49.8 15.2 102 534 A N >> - 0 0 19 1,-0.2 4,-2.5 -2,-0.1 3,-1.7 -0.703 43.5-174.2 -86.7 91.6 31.3 50.5 14.1 103 535 A L H 3> S+ 0 0 20 -2,-1.4 4,-1.6 1,-0.3 -1,-0.2 0.674 72.7 72.7 -64.0 -18.5 32.8 50.8 17.6 104 536 A Q H 34 S+ 0 0 62 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.696 115.0 26.0 -70.0 -17.4 36.3 51.8 16.3 105 537 A I H <> S+ 0 0 1 -3,-1.7 4,-1.6 3,-0.1 -2,-0.2 0.724 122.9 51.5-108.5 -45.1 34.7 55.1 15.5 106 538 A L H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.942 109.4 47.2 -61.4 -51.5 31.8 55.3 17.9 107 539 A I H X S+ 0 0 3 -4,-1.6 4,-3.4 2,-0.2 5,-0.2 0.940 112.0 48.6 -59.7 -47.8 33.7 54.5 21.2 108 540 A P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.896 113.2 51.3 -60.1 -33.0 36.5 57.0 20.5 109 541 A E H X S+ 0 0 13 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.922 109.8 47.3 -67.9 -41.5 33.7 59.5 19.7 110 542 A L H X S+ 0 0 5 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.922 110.1 54.1 -63.7 -43.3 32.0 58.7 23.0 111 543 A I H X S+ 0 0 4 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.899 107.7 50.0 -57.7 -42.0 35.3 59.1 24.8 112 544 A G H < S+ 0 0 3 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.901 111.5 48.1 -63.9 -40.9 35.7 62.5 23.3 113 545 A Y H >< S+ 0 0 34 -4,-2.0 3,-1.4 1,-0.2 4,-0.4 0.934 112.2 49.7 -63.8 -45.8 32.3 63.6 24.4 114 546 A L H >< S+ 0 0 2 -4,-2.9 3,-1.3 1,-0.3 -2,-0.2 0.836 100.4 63.1 -62.2 -37.1 32.9 62.2 27.9 115 547 A A T 3< S+ 0 0 16 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.574 103.7 51.4 -67.3 -7.4 36.2 64.1 28.3 116 548 A K T < S+ 0 0 119 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.503 91.5 94.3-106.2 -8.3 34.2 67.3 28.0 117 549 A Q < - 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0 0 60 -3,-1.4 3,-0.1 -4,-0.3 -3,-0.0 -0.465 45.9-173.0 -90.5 165.3 27.8 66.0 5.6 302 550 B S S S+ 0 0 102 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.541 78.2 51.6-123.2 -32.8 26.7 66.3 2.0 303 551 B V S S- 0 0 92 2,-0.0 2,-0.5 -48,-0.0 -1,-0.3 -0.877 70.7-157.1-109.4 139.5 28.9 69.2 1.0 304 552 B F + 0 0 23 -2,-0.4 -46,-0.1 -50,-0.1 3,-0.1 -0.931 21.2 157.9-125.6 114.1 32.7 69.2 1.7 305 553 B E > - 0 0 110 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.995 42.0-132.7-133.7 136.8 34.7 72.4 2.0 306 554 B P H > S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.874 107.6 53.5 -53.8 -40.6 38.1 73.0 3.7 307 555 B G H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.947 110.0 46.0 -61.4 -49.2 36.8 76.1 5.4 308 556 B N H > S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 114.5 48.2 -60.2 -43.6 33.8 74.3 6.9 309 557 B I H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.892 108.0 53.8 -66.7 -39.1 35.9 71.4 8.0 310 558 B A H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.881 107.0 53.6 -63.1 -35.0 38.6 73.5 9.6 311 559 B Q H X S+ 0 0 55 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.929 108.9 48.1 -64.3 -44.0 35.9 75.3 11.6 312 560 B W H X S+ 0 0 39 -4,-1.8 4,-0.6 1,-0.2 -2,-0.2 0.913 112.1 50.2 -63.0 -41.9 34.7 71.9 12.9 313 561 B I H >X S+ 0 0 3 -4,-2.5 3,-1.7 1,-0.2 4,-0.7 0.941 106.8 52.4 -64.7 -45.3 38.2 70.9 13.8 314 562 B A H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.859 108.6 53.2 -58.8 -33.7 39.0 74.1 15.7 315 563 B R H 3< S+ 0 0 115 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.584 112.2 44.4 -77.9 -9.1 35.8 73.6 17.7 316 564 B N H << S+ 0 0 44 -3,-1.7 -1,-0.2 -4,-0.6 -2,-0.2 0.351 79.2 112.3-117.8 5.4 36.8 70.0 18.7 317 565 B L S << S- 0 0 4 -4,-0.7 3,-0.1 -3,-0.6 2,-0.1 -0.485 87.1 -87.0 -72.4 148.8 40.5 70.3 19.6 318 566 B X - 0 0 43 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.397 58.3 -88.6 -62.5 132.6 41.0 69.7 23.3 319 567 B S - 0 0 62 -2,-0.1 -1,-0.1 -4,-0.1 -4,-0.0 -0.065 39.9-126.0 -43.6 129.3 40.5 73.0 25.3 320 568 B E S S- 0 0 75 -3,-0.1 -1,-0.1 -107,-0.1 -2,-0.1 0.918 73.5 -16.3 -44.7 -74.8 43.7 74.8 25.6 321 569 B H - 0 0 65 1,-0.1 3,-0.1 -124,-0.0 -124,-0.1 0.169 50.3-144.4-109.3-132.7 44.3 75.5 29.3 322 570 B A S S+ 0 0 81 -126,-0.2 2,-0.5 -2,-0.0 -1,-0.1 0.058 93.5 35.4-168.9 -49.2 41.8 75.3 32.3 323 571 B Q S S- 0 0 122 -126,-0.1 2,-0.2 2,-0.0 -126,-0.2 -0.960 85.7-151.1-120.3 105.8 43.1 78.2 34.4 324 572 B W - 0 0 7 -128,-4.0 2,-0.2 -2,-0.5 -126,-0.1 -0.555 6.5-152.3 -81.0 146.1 44.3 80.9 32.1 325 573 B S > - 0 0 50 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.692 28.3-107.5-110.5 166.6 47.1 83.3 33.2 326 574 B X H > S+ 0 0 89 -2,-0.2 4,-3.0 2,-0.2 5,-0.2 0.934 119.3 49.9 -59.2 -48.4 47.8 86.9 32.2 327 575 B A H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.927 111.0 50.4 -58.9 -42.5 50.8 86.0 30.0 328 576 B Q H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 113.7 44.8 -62.3 -40.3 48.8 83.2 28.3 329 577 B A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.893 112.2 51.4 -71.4 -38.8 45.9 85.7 27.5 330 578 B I H X S+ 0 0 86 -4,-3.0 4,-1.9 -5,-0.2 -2,-0.2 0.944 113.9 44.7 -62.0 -46.6 48.3 88.4 26.4 331 579 B T H X S+ 0 0 83 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.931 113.3 50.1 -62.8 -48.1 50.0 86.0 24.0 332 580 B L H X S+ 0 0 6 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.966 111.3 47.7 -56.4 -55.2 46.8 84.5 22.7 333 581 B L H X S+ 0 0 5 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.855 109.0 53.3 -57.4 -38.4 45.2 87.9 22.0 334 582 B A H X S+ 0 0 50 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.918 112.8 45.7 -62.9 -40.8 48.4 89.2 20.2 335 583 B D H X S+ 0 0 43 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.932 112.9 48.9 -67.6 -45.3 48.2 86.1 18.0 336 584 B V H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 -2,-0.2 0.946 107.7 56.9 -59.6 -44.0 44.5 86.5 17.4 337 585 B E H < S+ 0 0 44 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.887 111.4 40.9 -55.0 -42.6 45.0 90.2 16.5 338 586 B R H < S+ 0 0 154 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.873 123.6 36.1 -77.8 -34.4 47.5 89.4 13.8 339 587 B L H < S+ 0 0 43 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.671 126.6 34.6 -92.0 -16.8 45.7 86.4 12.2 340 588 B C >X + 0 0 16 -4,-3.1 3,-2.6 -5,-0.3 4,-1.0 -0.254 63.3 157.4-131.7 49.7 42.1 87.5 12.7 341 589 B P H 3> S+ 0 0 74 0, 0.0 4,-1.3 0, 0.0 3,-0.1 0.774 73.1 62.3 -43.2 -32.9 42.1 91.3 12.2 342 590 B Q H 3> S+ 0 0 112 1,-0.2 4,-2.6 2,-0.2 -5,-0.1 0.772 95.5 58.6 -69.3 -26.7 38.4 91.2 11.4 343 591 B L H <4 S+ 0 0 16 -3,-2.6 -1,-0.2 2,-0.2 -6,-0.1 0.901 102.6 53.9 -67.7 -40.2 37.4 89.8 14.8 344 592 B V H < S+ 0 0 3 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.879 112.5 44.3 -61.3 -37.5 39.0 92.9 16.4 345 593 B K H < S+ 0 0 148 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.947 132.3 19.2 -72.7 -48.1 36.8 95.1 14.2 346 594 B T S < S- 0 0 96 -4,-2.6 -1,-0.2 2,-0.0 -2,-0.2 -0.512 79.6-171.5-123.1 64.9 33.6 93.2 14.7 347 595 B P - 0 0 42 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.348 24.3-126.9 -58.1 123.2 34.0 91.0 17.8 348 596 B P >> - 0 0 45 0, 0.0 4,-2.4 0, 0.0 3,-1.3 -0.301 19.7-109.9 -70.0 160.2 31.1 88.7 18.0 349 597 B G T 34 S+ 0 0 50 1,-0.3 0, 0.0 2,-0.2 0, 0.0 0.668 117.9 58.9 -63.5 -18.4 29.0 88.5 21.2 350 598 B G T 34 S+ 0 0 54 1,-0.1 -1,-0.3 -136,-0.0 -139,-0.2 0.716 113.2 38.6 -83.0 -19.4 30.4 85.1 21.9 351 599 B L T <4 S+ 0 0 3 -3,-1.3 -140,-2.2 1,-0.3 2,-0.4 0.890 124.5 19.4 -93.2 -48.2 33.9 86.4 22.0 352 600 B L E < -I 210 0D 17 -4,-2.4 2,-0.4 -142,-0.2 -1,-0.3 -0.989 58.5-174.9-135.8 133.7 33.6 89.8 23.6 353 601 B Q E -I 209 0D 110 -144,-2.5 -144,-2.8 -2,-0.4 2,-0.1 -0.975 27.9-115.2-128.5 139.4 31.1 91.5 25.9 354 602 B S E -I 208 0D 96 -2,-0.4 2,-0.7 -146,-0.2 -146,-0.2 -0.405 18.6-143.4 -69.7 140.9 30.8 95.0 27.3 355 603 B V - 0 0 51 -148,-2.6 2,-0.4 -2,-0.1 -148,-0.4 -0.919 20.8-137.0-109.3 105.6 31.1 95.5 31.0 356 604 B D + 0 0 96 -2,-0.7 4,-0.3 1,-0.2 -148,-0.0 -0.486 26.1 177.3 -68.4 115.8 28.7 98.3 31.9 357 605 B L > + 0 0 80 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 0.571 59.7 92.3 -92.6 -12.5 30.2 100.8 34.4 358 606 B H H > S+ 0 0 136 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.879 82.6 51.7 -52.5 -45.0 27.2 103.1 34.4 359 607 B P H > S+ 0 0 77 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.946 113.0 45.6 -59.9 -42.7 25.4 101.5 37.4 360 608 B A H > S+ 0 0 57 -4,-0.3 4,-2.5 -3,-0.2 -2,-0.2 0.892 112.7 50.4 -64.6 -41.8 28.6 101.7 39.5 361 609 B I H X S+ 0 0 89 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.900 112.2 47.3 -63.6 -41.9 29.2 105.3 38.4 362 610 B K H >< S+ 0 0 162 -4,-2.6 3,-0.6 -5,-0.2 -2,-0.2 0.909 111.1 52.4 -65.0 -42.3 25.7 106.3 39.3 363 611 B A H 3< S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.912 98.9 60.8 -60.9 -45.7 26.0 104.5 42.7 364 612 B L H 3< 0 0 159 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.837 360.0 360.0 -51.7 -28.9 29.2 106.3 43.6 365 613 B K << 0 0 212 -4,-0.8 -1,-0.3 -3,-0.6 -4,-0.0 -0.636 360.0 360.0 -93.3 360.0 26.8 109.3 43.3