==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN/PEPTIDE 22-SEP-11 3TWT . COMPND 2 MOLECULE: TANKYRASE-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.GUETTLER,F.SICHERI . 687 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31124.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 420 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 . 33 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 4.5 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 20 2 10 0 0 4 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 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 489 A N 0 0 64 0, 0.0 32,-0.0 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 143.6 -28.8 -4.1 16.8 2 490 A S > - 0 0 67 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.281 360.0-108.5 -61.8 160.5 -29.1 -2.6 13.4 3 491 A E H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.862 118.7 56.0 -61.0 -35.8 -31.2 -4.7 11.0 4 492 A A H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 107.3 46.3 -66.4 -45.5 -28.0 -5.5 9.0 5 493 A D H > S+ 0 0 35 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.901 111.0 53.7 -63.5 -40.3 -26.2 -6.9 12.0 6 494 A R H X S+ 0 0 94 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.932 110.2 46.8 -57.9 -46.4 -29.3 -8.9 12.9 7 495 A Q H X S+ 0 0 85 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.873 111.3 52.6 -64.2 -36.6 -29.4 -10.4 9.4 8 496 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.941 109.9 47.4 -63.9 -45.9 -25.6 -11.1 9.6 9 497 A L H X S+ 0 0 8 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.926 113.1 48.3 -63.5 -44.3 -26.0 -13.0 12.9 10 498 A E H X S+ 0 0 100 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.883 111.6 50.5 -61.3 -40.9 -28.9 -15.0 11.6 11 499 A A H X>S+ 0 0 5 -4,-2.3 5,-2.6 2,-0.2 4,-1.2 0.868 109.3 50.7 -66.1 -37.3 -27.0 -15.9 8.4 12 500 A A H <5S+ 0 0 0 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.904 112.3 47.9 -64.3 -40.6 -24.0 -17.0 10.5 13 501 A K H <5S+ 0 0 75 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.876 116.4 42.4 -65.6 -39.7 -26.3 -19.2 12.6 14 502 A A H <5S- 0 0 61 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.594 109.7-119.8 -82.6 -13.9 -28.0 -20.7 9.5 15 503 A G T <5 + 0 0 27 -4,-1.2 2,-1.6 1,-0.2 -3,-0.2 0.839 52.2 163.6 71.6 33.7 -24.7 -21.1 7.6 16 504 A D >< - 0 0 70 -5,-2.6 4,-2.3 1,-0.2 -1,-0.2 -0.664 12.1-179.0 -85.4 85.2 -26.0 -18.8 4.8 17 505 A V H > S+ 0 0 36 -2,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.883 74.5 52.2 -53.2 -47.5 -22.6 -18.1 3.2 18 506 A E H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 111.0 46.7 -63.6 -40.6 -23.8 -15.7 0.5 19 507 A T H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 110.9 53.1 -69.6 -38.6 -25.6 -13.5 3.0 20 508 A V H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.949 109.4 49.5 -56.3 -47.5 -22.6 -13.5 5.3 21 509 A K H < S+ 0 0 99 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.871 111.2 49.5 -60.8 -38.7 -20.5 -12.4 2.3 22 510 A K H < S+ 0 0 167 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.882 121.6 32.0 -67.0 -38.0 -22.9 -9.6 1.5 23 511 A L H < S+ 0 0 43 -4,-2.1 2,-0.7 -5,-0.1 -2,-0.2 0.612 87.7 106.7-100.9 -15.6 -23.1 -8.2 5.0 24 512 A C < + 0 0 19 -4,-2.4 2,-0.2 -5,-0.2 -19,-0.0 -0.566 42.7 157.2 -74.2 111.5 -19.7 -8.8 6.5 25 513 A T >> - 0 0 74 -2,-0.7 4,-1.9 1,-0.0 3,-0.5 -0.742 60.1 -96.8-121.2 173.5 -17.8 -5.5 6.7 26 514 A V T 34 S+ 0 0 83 -2,-0.2 4,-0.3 1,-0.2 386,-0.2 0.810 127.4 49.0 -59.3 -27.8 -14.9 -4.4 8.9 27 515 A Q T 34 S+ 0 0 132 384,-0.2 -1,-0.2 1,-0.1 384,-0.1 0.734 118.9 34.6 -82.6 -24.0 -17.6 -2.8 11.1 28 516 A S T X4 S+ 0 0 5 -3,-0.5 3,-2.0 -5,-0.1 -2,-0.2 0.566 87.6 88.8-111.3 -13.2 -19.9 -5.9 11.4 29 517 A V T 3< S+ 0 0 2 -4,-1.9 13,-0.4 1,-0.3 -1,-0.1 0.826 104.3 32.8 -62.7 -29.1 -17.6 -8.9 11.4 30 518 A N T 3 S+ 0 0 33 -4,-0.3 -1,-0.3 10,-0.1 -2,-0.1 -0.081 89.2 141.4-113.7 30.7 -17.3 -8.7 15.2 31 519 A C < - 0 0 10 -3,-2.0 2,-0.4 1,-0.1 -3,-0.1 -0.246 43.5-129.6 -67.3 163.4 -20.8 -7.3 15.9 32 520 A R - 0 0 16 8,-0.2 2,-1.9 9,-0.1 8,-0.2 -0.947 13.1-117.9-128.3 141.2 -22.6 -8.6 19.0 33 521 A D > > + 0 0 33 6,-2.0 5,-2.7 -2,-0.4 3,-1.3 -0.535 36.4 176.9 -77.3 83.1 -26.1 -10.0 19.6 34 522 A I T 3 5S+ 0 0 102 -2,-1.9 -1,-0.2 1,-0.3 -3,-0.0 0.793 75.9 57.6 -61.5 -34.1 -27.3 -7.3 21.9 35 523 A E T 3 5S+ 0 0 124 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.729 122.2 21.8 -70.6 -19.7 -30.8 -8.7 22.2 36 524 A G T < 5S- 0 0 36 -3,-1.3 -4,-0.0 3,-0.1 0, 0.0 0.141 126.4 -40.2-116.1-129.2 -29.2 -11.9 23.5 37 525 A R T 5S- 0 0 60 -2,-0.0 32,-2.8 31,-0.0 33,-0.3 0.147 80.7-103.4 -93.0 16.9 -25.9 -12.9 25.1 38 526 A Q < + 0 0 56 -5,-2.7 -4,-0.2 30,-0.2 2,-0.1 0.823 60.1 173.4 60.9 33.8 -23.8 -10.6 22.8 39 527 A S - 0 0 0 -6,-0.4 -6,-2.0 -7,-0.1 -1,-0.2 -0.466 23.8-134.9 -66.1 143.6 -22.7 -13.5 20.7 40 528 A T > - 0 0 1 -8,-0.2 4,-1.8 26,-0.2 3,-0.2 -0.441 29.3 -99.2 -89.0 169.0 -20.6 -12.6 17.6 41 529 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.894 126.7 54.5 -55.3 -36.1 -21.1 -14.1 14.2 42 530 A L H > S+ 0 0 0 -13,-0.4 4,-2.3 1,-0.2 5,-0.2 0.855 103.0 55.3 -69.7 -33.6 -18.2 -16.4 14.9 43 531 A H H > S+ 0 0 0 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 112.8 43.4 -58.1 -46.5 -19.9 -17.6 18.1 44 532 A F H X S+ 0 0 16 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.952 114.5 47.7 -65.5 -50.7 -23.0 -18.6 16.1 45 533 A A H <>S+ 0 0 0 -4,-2.8 5,-3.0 1,-0.2 9,-0.2 0.879 114.8 47.8 -59.8 -38.6 -21.1 -20.2 13.2 46 534 A A H ><5S+ 0 0 0 -4,-2.3 3,-0.8 -5,-0.2 -1,-0.2 0.900 112.9 46.2 -69.0 -43.8 -18.9 -22.2 15.6 47 535 A G H 3<5S+ 0 0 0 -4,-2.1 597,-1.9 1,-0.2 -2,-0.2 0.829 116.5 44.2 -69.9 -33.5 -21.8 -23.4 17.7 48 536 A Y T 3<5S- 0 0 18 -4,-2.2 -1,-0.2 595,-0.3 -2,-0.2 0.205 111.4-117.1-100.0 12.9 -23.9 -24.5 14.8 49 537 A N T < 5 + 0 0 15 -3,-0.8 2,-1.3 1,-0.2 -3,-0.2 0.855 53.5 161.0 59.2 43.3 -21.0 -26.1 12.9 50 538 A R >< + 0 0 65 -5,-3.0 4,-2.6 1,-0.2 -1,-0.2 -0.679 10.5 176.1 -97.2 81.8 -21.1 -23.7 9.9 51 539 A V H > S+ 0 0 0 -2,-1.3 4,-2.6 1,-0.2 5,-0.2 0.882 73.0 50.1 -62.6 -45.5 -17.6 -24.5 8.6 52 540 A S H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 114.3 47.4 -59.1 -39.9 -17.6 -22.4 5.5 53 541 A V H > S+ 0 0 2 2,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.898 109.5 52.9 -69.8 -42.7 -18.9 -19.4 7.5 54 542 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 -9,-0.2 5,-0.2 0.930 111.6 46.2 -54.4 -49.0 -16.3 -19.9 10.3 55 543 A E H X S+ 0 0 60 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.938 114.0 48.3 -62.7 -44.8 -13.5 -19.9 7.7 56 544 A Y H X S+ 0 0 42 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.913 112.3 48.0 -62.0 -46.6 -14.9 -16.8 6.0 57 545 A L H <>S+ 0 0 0 -4,-2.8 5,-2.6 2,-0.2 -1,-0.2 0.921 112.3 49.0 -62.7 -44.9 -15.3 -14.9 9.2 58 546 A L H ><5S+ 0 0 19 -4,-2.4 3,-1.6 -5,-0.2 -2,-0.2 0.935 110.0 51.1 -59.9 -47.3 -11.8 -15.8 10.4 59 547 A Q H 3<5S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.863 110.7 51.8 -56.8 -34.2 -10.3 -14.7 7.1 60 548 A H T 3<5S- 0 0 94 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.254 130.2 -85.6 -97.1 15.4 -12.1 -11.4 7.3 61 549 A G T < 5 + 0 0 22 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.623 64.3 163.4 102.2 16.6 -11.0 -10.5 10.8 62 550 A A < - 0 0 12 -5,-2.6 2,-0.8 -6,-0.1 -1,-0.2 -0.410 43.2-116.3 -65.2 142.4 -13.3 -12.2 13.3 63 551 A D > - 0 0 8 1,-0.2 3,-1.4 -34,-0.1 -1,-0.1 -0.704 21.8-166.6 -87.7 108.8 -11.9 -12.2 16.8 64 552 A V T 3 S+ 0 0 12 -2,-0.8 11,-0.4 1,-0.2 -1,-0.2 0.745 90.5 52.8 -62.1 -23.3 -11.3 -15.8 18.0 65 553 A H T 3 S+ 0 0 34 8,-0.1 -1,-0.2 30,-0.1 2,-0.2 0.427 77.0 129.4 -92.6 -1.1 -10.8 -14.5 21.5 66 554 A A < - 0 0 2 -3,-1.4 2,-0.4 1,-0.1 380,-0.2 -0.368 46.2-149.7 -64.3 126.0 -14.0 -12.5 21.7 67 555 A K - 0 0 13 378,-1.9 6,-0.2 -2,-0.2 -1,-0.1 -0.742 3.8-143.1 -95.8 139.4 -16.0 -13.3 24.9 68 556 A D > - 0 0 10 4,-2.5 3,-1.7 -2,-0.4 -30,-0.2 -0.126 47.2 -75.3 -81.1-167.3 -19.8 -13.1 25.0 69 557 A K T 3 S+ 0 0 138 -32,-2.8 -31,-0.1 1,-0.3 -1,-0.0 0.762 135.8 48.3 -65.5 -26.7 -21.8 -11.9 28.1 70 558 A G T 3 S- 0 0 13 -33,-0.3 32,-2.6 2,-0.1 33,-0.4 0.408 120.8-107.0 -90.0 1.8 -21.0 -15.2 29.9 71 559 A G S < S+ 0 0 5 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.648 72.0 144.9 80.7 15.0 -17.3 -15.1 29.1 72 560 A L - 0 0 8 29,-0.1 -4,-2.5 3,-0.0 -1,-0.3 -0.671 34.5-155.7 -87.6 144.4 -17.6 -17.9 26.5 73 561 A V >> - 0 0 7 -2,-0.3 4,-1.2 -6,-0.2 3,-1.2 -0.679 36.7 -97.6-109.0 166.5 -15.5 -17.8 23.4 74 562 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.837 122.1 63.0 -57.1 -32.7 -16.3 -19.5 20.1 75 563 A L H 3> S+ 0 0 1 -11,-0.4 4,-2.5 1,-0.2 5,-0.2 0.855 98.0 56.2 -59.6 -35.6 -14.1 -22.5 21.0 76 564 A H H <> S+ 0 0 0 -3,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.946 109.1 47.4 -58.3 -48.1 -16.4 -23.2 24.0 77 565 A N H X S+ 0 0 0 -4,-1.2 4,-1.3 1,-0.2 -2,-0.2 0.917 112.2 48.2 -60.7 -44.2 -19.3 -23.5 21.6 78 566 A A H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 -1,-0.2 0.904 115.1 45.2 -64.6 -39.7 -17.5 -25.8 19.2 79 567 A C H ><5S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.882 107.0 57.1 -75.7 -37.4 -16.3 -28.1 21.9 80 568 A S H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.841 114.9 39.2 -59.5 -33.6 -19.6 -28.3 23.7 81 569 A Y T 3<5S- 0 0 3 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.237 112.5-112.7-109.0 14.1 -21.3 -29.5 20.5 82 570 A G T < 5 + 0 0 26 -3,-1.1 2,-1.5 1,-0.2 -3,-0.2 0.727 56.8 156.9 70.9 24.7 -18.5 -31.8 19.2 83 571 A H >< + 0 0 6 -5,-2.4 4,-2.4 -6,-0.2 -1,-0.2 -0.635 12.4 175.4 -86.6 86.7 -17.6 -29.8 16.2 84 572 A Y H > S+ 0 0 61 -2,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.909 73.4 49.0 -62.5 -47.3 -14.1 -31.1 15.7 85 573 A E H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.938 112.9 48.6 -62.5 -44.9 -13.2 -29.3 12.5 86 574 A V H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.928 110.7 50.9 -57.7 -47.0 -14.4 -26.0 13.8 87 575 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.917 110.9 48.6 -56.6 -45.2 -12.4 -26.6 17.0 88 576 A E H X S+ 0 0 71 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.909 110.5 51.2 -64.0 -42.5 -9.3 -27.3 15.0 89 577 A L H X S+ 0 0 25 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.926 112.2 46.3 -58.4 -46.6 -9.8 -24.2 12.8 90 578 A L H <>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 -2,-0.2 0.951 114.8 46.6 -63.1 -46.6 -10.1 -22.0 15.9 91 579 A V H ><5S+ 0 0 13 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.905 109.4 53.6 -62.3 -41.4 -7.1 -23.5 17.6 92 580 A K H 3<5S+ 0 0 180 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.852 105.3 56.4 -64.0 -32.7 -5.0 -23.3 14.4 93 581 A H T 3<5S- 0 0 94 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.196 131.9 -91.1 -84.3 16.0 -5.9 -19.5 14.4 94 582 A G T < 5 + 0 0 44 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.560 63.4 168.8 95.4 8.3 -4.5 -19.1 17.9 95 583 A A < - 0 0 12 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.2 -0.259 41.4-114.6 -54.4 137.7 -7.5 -19.7 20.1 96 584 A V > - 0 0 57 1,-0.2 3,-0.8 -32,-0.1 -1,-0.1 -0.653 24.2-162.1 -77.0 123.0 -6.6 -20.0 23.8 97 585 A V T 3 S+ 0 0 13 -2,-0.5 11,-0.4 29,-0.3 -1,-0.2 0.818 86.7 51.4 -81.4 -27.2 -7.3 -23.6 24.8 98 586 A N T 3 S+ 0 0 49 8,-0.1 -1,-0.2 9,-0.1 -2,-0.1 0.117 79.0 142.4 -92.1 22.7 -7.3 -22.9 28.6 99 587 A V < - 0 0 8 -3,-0.8 2,-0.4 1,-0.0 -26,-0.1 -0.359 37.2-152.3 -67.5 140.2 -9.7 -20.0 28.3 100 588 A A - 0 0 15 6,-0.1 6,-0.2 349,-0.1 349,-0.1 -0.959 1.9-145.8-121.2 135.8 -12.2 -19.8 31.2 101 589 A D > - 0 0 7 4,-2.2 3,-1.9 -2,-0.4 -30,-0.3 -0.032 48.7 -76.5 -81.2-168.2 -15.7 -18.3 31.2 102 590 A L T 3 S+ 0 0 113 -32,-2.6 -31,-0.1 1,-0.3 -1,-0.1 0.749 137.1 47.4 -65.3 -23.5 -17.4 -16.5 34.1 103 591 A W T 3 S- 0 0 45 -33,-0.4 32,-2.7 2,-0.1 33,-0.3 0.285 119.7-111.9 -97.0 7.8 -18.0 -19.9 35.8 104 592 A K < + 0 0 134 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.748 66.0 151.2 62.9 26.9 -14.4 -20.9 35.1 105 593 A F - 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0 0 0 -5,-0.4 -5,-2.5 -6,-0.1 -1,-0.2 -0.447 25.5-136.4 -64.0 142.8 -41.1 -20.5 38.5 197 528 B T > - 0 0 0 -7,-0.2 4,-1.9 -2,-0.1 3,-0.2 -0.496 27.6 -99.9 -92.1 168.3 -44.8 -19.4 38.4 198 529 B P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.901 126.0 54.6 -49.9 -42.3 -47.7 -20.7 40.5 199 530 B L H > S+ 0 0 0 -12,-0.4 4,-2.5 1,-0.2 5,-0.2 0.878 104.0 53.9 -63.9 -38.0 -48.7 -22.9 37.6 200 531 B H H > S+ 0 0 0 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.931 112.9 44.0 -57.3 -48.8 -45.2 -24.4 37.4 201 532 B F H X S+ 0 0 12 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.929 114.6 47.5 -63.4 -48.2 -45.4 -25.3 41.1 202 533 B A H <>S+ 0 0 0 -4,-2.8 5,-3.0 1,-0.2 4,-0.2 0.896 115.0 47.3 -60.5 -40.2 -49.0 -26.7 40.9 203 534 B A H ><5S+ 0 0 0 -4,-2.5 3,-1.0 -5,-0.2 -2,-0.2 0.931 113.2 46.3 -68.3 -46.5 -48.1 -28.7 37.8 204 535 B G H 3<5S+ 0 0 0 -4,-2.5 454,-2.0 1,-0.2 -1,-0.2 0.823 116.0 45.7 -66.9 -32.1 -44.9 -30.2 39.2 205 536 B Y T 3<5S- 0 0 33 -4,-2.2 -1,-0.2 452,-0.2 -2,-0.2 0.264 111.5-117.2 -97.8 9.7 -46.6 -31.1 42.5 206 537 B N T < 5 + 0 0 28 -3,-1.0 2,-1.1 -4,-0.2 -3,-0.2 0.887 54.3 160.1 62.1 45.2 -49.7 -32.6 40.9 207 538 B R >< + 0 0 65 -5,-3.0 4,-2.6 1,-0.2 -1,-0.2 -0.715 10.0 175.0-101.5 82.9 -52.1 -30.1 42.4 208 539 B V H > S+ 0 0 29 -2,-1.1 4,-2.8 1,-0.2 5,-0.2 0.878 73.1 51.7 -62.4 -43.3 -55.0 -30.5 40.0 209 540 B S H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 114.4 44.6 -62.3 -41.2 -57.5 -28.2 41.7 210 541 B V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.913 111.2 53.0 -67.0 -43.3 -55.0 -25.4 41.7 211 542 B V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.942 111.8 46.7 -57.2 -48.1 -53.9 -26.1 38.1 212 543 B E H X S+ 0 0 103 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.928 113.8 46.9 -59.7 -47.7 -57.5 -25.9 37.0 213 544 B Y H < S+ 0 0 48 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.915 112.1 50.3 -62.2 -44.4 -58.3 -22.7 39.0 214 545 B L H ><>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 3,-1.4 0.930 110.0 50.4 -61.3 -44.0 -55.1 -21.0 37.7 215 546 B L H ><5S+ 0 0 16 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.807 108.9 51.7 -64.3 -31.5 -55.9 -21.8 34.1 216 547 B Q T 3<5S+ 0 0 125 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.479 110.9 51.3 -81.7 -4.5 -59.4 -20.4 34.5 217 548 B H T < 5S- 0 0 92 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 -0.074 127.8 -78.8-131.1 34.6 -58.0 -17.2 35.9 218 549 B G T < 5 + 0 0 54 -3,-0.7 -3,-0.2 1,-0.2 -4,-0.1 0.480 67.6 160.8 95.6 5.6 -55.4 -16.1 33.4 219 550 B A < - 0 0 12 -5,-2.3 2,-0.8 -6,-0.2 -1,-0.2 -0.328 43.8-117.4 -63.2 143.0 -52.3 -18.2 34.2 220 551 B D > - 0 0 63 1,-0.2 3,-1.5 -33,-0.1 -1,-0.1 -0.723 22.3-169.1 -88.5 105.1 -49.8 -18.4 31.4 221 552 B V T 3 S+ 0 0 12 -2,-0.8 11,-0.4 1,-0.3 -1,-0.2 0.685 90.3 51.8 -63.5 -16.7 -49.5 -22.0 30.1 222 553 B H T 3 S+ 0 0 95 8,-0.1 -1,-0.3 9,-0.1 2,-0.1 0.294 75.9 133.1-105.2 8.2 -46.4 -20.8 28.1 223 554 B A < - 0 0 2 -3,-1.5 2,-0.4 1,-0.1 -26,-0.1 -0.383 45.3-146.6 -63.8 133.0 -44.5 -19.1 31.0 224 555 B K - 0 0 85 6,-0.1 6,-0.2 -2,-0.1 -1,-0.1 -0.849 2.9-145.7-103.2 136.0 -40.9 -20.1 31.0 225 556 B D > - 0 0 8 4,-2.3 3,-2.0 -2,-0.4 -30,-0.2 -0.165 49.1 -75.4 -80.7-170.7 -38.7 -20.5 34.1 226 557 B K T 3 S+ 0 0 125 -32,-3.0 -31,-0.1 1,-0.3 -1,-0.1 0.763 135.1 48.3 -61.6 -25.1 -35.0 -19.7 34.3 227 558 B G T 3 S- 0 0 11 -33,-0.2 32,-2.5 2,-0.1 33,-0.4 0.380 121.7-103.2 -94.3 3.6 -34.2 -22.9 32.3 228 559 B G S < S+ 0 0 5 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.533 72.5 149.6 85.8 6.9 -36.8 -22.3 29.6 229 560 B L - 0 0 4 29,-0.1 -4,-2.3 -5,-0.0 -1,-0.3 -0.548 31.9-156.9 -76.2 136.0 -39.1 -24.9 31.2 230 561 B V >> - 0 0 5 -2,-0.3 3,-1.2 -6,-0.2 4,-1.2 -0.658 37.0 -98.7-101.1 165.1 -42.9 -24.5 30.8 231 562 B P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.802 122.2 64.3 -56.9 -27.3 -45.4 -26.1 33.2 232 563 B L H 3> S+ 0 0 2 -11,-0.4 4,-2.2 1,-0.2 5,-0.2 0.876 98.7 54.4 -62.8 -36.0 -46.0 -28.9 30.8 233 564 B H H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.915 108.4 49.4 -58.2 -46.3 -42.3 -29.9 31.3 234 565 B N H X S+ 0 0 0 -4,-1.2 4,-1.3 1,-0.2 -2,-0.2 0.935 111.8 47.5 -59.2 -47.8 -43.0 -30.1 35.1 235 566 B A H <>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 4,-0.3 0.877 115.5 45.5 -60.0 -40.4 -46.1 -32.2 34.6 236 567 B C H ><5S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.862 106.3 57.2 -77.4 -34.7 -44.3 -34.6 32.2 237 568 B S H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.834 114.9 39.3 -61.1 -32.7 -41.1 -35.0 34.2 238 569 B Y T 3<5S- 0 0 26 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.309 112.7-111.9-110.0 8.9 -43.2 -36.2 37.2 239 570 B G T < 5 + 0 0 29 -3,-0.8 2,-1.5 -4,-0.3 -3,-0.2 0.737 56.2 158.8 78.9 23.2 -45.8 -38.4 35.4 240 571 B H >< + 0 0 5 -5,-2.7 4,-2.5 1,-0.2 -1,-0.2 -0.618 11.2 175.7 -89.3 88.4 -48.8 -36.1 36.2 241 572 B Y H > S+ 0 0 98 -2,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.927 74.8 46.4 -63.4 -53.3 -51.1 -37.3 33.5 242 573 B E H > S+ 0 0 114 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.907 113.0 51.7 -58.2 -41.4 -54.2 -35.3 34.4 243 574 B V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.936 109.0 49.6 -61.4 -45.8 -52.1 -32.2 34.8 244 575 B A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.915 111.9 49.8 -57.3 -43.7 -50.5 -32.6 31.4 245 576 B E H X S+ 0 0 47 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.886 109.4 50.3 -62.3 -43.2 -54.0 -33.1 29.9 246 577 B L H X S+ 0 0 16 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.908 111.6 48.7 -63.3 -42.5 -55.4 -29.9 31.6 247 578 B L H ><>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 3,-0.5 0.938 112.2 47.9 -62.4 -47.3 -52.4 -27.9 30.2 248 579 B V H ><5S+ 0 0 25 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.881 108.6 54.4 -60.0 -40.9 -52.9 -29.3 26.7 249 580 B K H 3<5S+ 0 0 156 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.741 108.0 51.8 -64.1 -25.9 -56.6 -28.5 26.8 250 581 B H T <<5S- 0 0 67 -4,-1.1 -1,-0.3 -3,-0.5 -29,-0.2 0.164 133.2 -85.3 -99.1 16.0 -55.7 -25.0 27.7 251 582 B G T < 5 + 0 0 43 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.455 66.1 162.5 105.2 2.4 -53.3 -24.5 24.8 252 583 B A < - 0 0 11 -5,-2.4 2,-0.5 -6,-0.1 -1,-0.2 -0.290 40.9-124.0 -57.6 136.2 -49.9 -25.8 25.9 253 584 B V > - 0 0 79 1,-0.1 3,-1.1 -32,-0.1 -1,-0.1 -0.749 15.8-155.6 -82.2 121.3 -47.6 -26.5 23.0 254 585 B V T 3 S+ 0 0 17 -2,-0.5 11,-0.4 1,-0.2 -1,-0.1 0.798 90.3 51.0 -75.1 -26.2 -46.5 -30.1 23.1 255 586 B N T 3 S+ 0 0 51 8,-0.1 -1,-0.2 9,-0.1 -2,-0.0 0.295 78.8 140.3 -91.5 13.6 -43.3 -29.6 21.1 256 587 B V < - 0 0 25 -3,-1.1 2,-0.4 1,-0.1 -26,-0.1 -0.181 39.5-148.8 -54.0 142.3 -42.1 -26.7 23.3 257 588 B A - 0 0 37 6,-0.2 6,-0.2 7,-0.1 -1,-0.1 -0.951 3.1-143.2-121.0 141.5 -38.4 -26.7 24.0 258 589 B D > - 0 0 7 4,-2.1 3,-1.9 -2,-0.4 -30,-0.3 -0.063 50.3 -75.8 -80.8-168.7 -36.4 -25.5 27.0 259 590 B L T 3 S+ 0 0 61 -32,-2.5 -31,-0.1 1,-0.3 -1,-0.0 0.801 137.6 46.0 -62.1 -29.4 -32.9 -23.8 26.8 260 591 B W T 3 S- 0 0 20 -33,-0.4 32,-2.4 2,-0.1 33,-0.3 0.273 120.3-110.9 -92.2 6.5 -31.3 -27.3 26.2 261 592 B K < + 0 0 61 -3,-1.9 2,-0.5 1,-0.3 -2,-0.1 0.707 64.7 154.6 61.0 24.7 -34.0 -28.0 23.6 262 593 B F - 0 0 17 29,-0.1 -4,-2.1 4,-0.1 -1,-0.3 -0.716 28.6-156.6 -73.6 127.3 -35.6 -30.7 25.8 263 594 B T > - 0 0 3 -2,-0.5 4,-2.1 -6,-0.2 3,-0.2 -0.515 35.6 -98.2 -89.5 168.5 -39.2 -31.1 24.9 264 595 B P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.862 127.7 56.7 -54.1 -31.8 -41.8 -32.5 27.3 265 596 B L H > S+ 0 0 0 -11,-0.4 4,-2.8 2,-0.2 5,-0.2 0.898 103.9 50.2 -68.7 -40.0 -41.3 -35.8 25.4 266 597 B H H > S+ 0 0 0 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 112.8 49.4 -58.4 -43.0 -37.5 -35.8 26.1 267 598 B E H X S+ 0 0 8 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.951 113.2 43.5 -65.0 -47.8 -38.4 -35.2 29.8 268 599 B A H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 4,-0.5 0.902 114.6 50.4 -66.4 -40.6 -40.9 -38.0 30.0 269 600 B A H ><5S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.2 33,-0.5 0.943 111.9 47.2 -59.4 -49.2 -38.7 -40.4 28.1 270 601 B A H 3<5S+ 0 0 38 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.829 113.6 48.0 -64.6 -32.7 -35.7 -39.7 30.4 271 602 B K T 3<5S- 0 0 80 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.412 112.9-118.6 -90.2 -1.1 -37.8 -40.0 33.5 272 603 B G T < 5 + 0 0 27 -3,-1.1 2,-1.1 -4,-0.5 -3,-0.2 0.803 57.0 155.3 74.4 31.9 -39.4 -43.3 32.4 273 604 B K >< + 0 0 45 -5,-2.7 4,-2.0 1,-0.2 -1,-0.2 -0.732 15.0 177.7 -97.5 90.6 -43.0 -42.0 32.3 274 605 B Y H > S+ 0 0 76 -2,-1.1 4,-2.4 1,-0.2 5,-0.2 0.917 76.0 49.6 -61.3 -51.0 -44.7 -44.3 29.8 275 606 B E H > S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.863 111.8 50.3 -59.5 -36.9 -48.2 -43.0 30.0 276 607 B I H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.917 108.8 51.4 -66.8 -44.4 -47.0 -39.4 29.6 277 608 B C H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.928 113.2 45.6 -56.9 -46.4 -44.9 -40.4 26.5 278 609 B K H X S+ 0 0 75 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.909 112.0 51.0 -65.4 -44.1 -48.0 -42.0 25.0 279 610 B L H X S+ 0 0 3 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.937 111.0 48.5 -57.1 -47.0 -50.2 -39.1 25.8 280 611 B L H <>S+ 0 0 2 -4,-2.9 5,-2.8 1,-0.2 -2,-0.2 0.926 111.4 49.8 -61.4 -43.7 -47.8 -36.6 24.2 281 612 B L H ><5S+ 0 0 47 -4,-2.4 3,-1.8 3,-0.2 -1,-0.2 0.910 107.6 54.0 -60.6 -41.1 -47.6 -38.8 21.1 282 613 B Q H 3<5S+ 0 0 127 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.831 107.7 51.7 -63.3 -29.6 -51.4 -38.9 21.0 283 614 B H T 3<5S- 0 0 80 -4,-1.7 -1,-0.3 -3,-0.2 -29,-0.2 0.218 130.7 -94.9 -90.7 14.1 -51.4 -35.1 21.1 284 615 B G T < 5 + 0 0 49 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.685 60.8 169.2 86.7 19.7 -48.9 -35.0 18.2 285 616 B A < - 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0 0 53 -2,-0.3 3,-0.1 35,-0.0 33,-0.0 -0.925 60.4 -52.3 168.1 173.0 16.5 7.3 6.3 319 489 C N - 0 0 50 -2,-0.3 32,-0.0 1,-0.1 -2,-0.0 -0.239 63.0 -99.5 -61.8 153.5 12.8 7.9 5.4 320 490 C S > - 0 0 57 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.287 32.3-110.4 -67.1 161.9 12.0 9.9 2.3 321 491 C E H > S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.921 120.1 54.3 -60.3 -41.2 11.2 13.6 2.8 322 492 C A H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 111.4 43.0 -57.3 -47.9 7.6 12.8 1.8 323 493 C D H > S+ 0 0 38 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.894 112.4 53.2 -68.8 -40.8 7.2 10.0 4.4 324 494 C R H X S+ 0 0 115 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.936 111.2 46.6 -57.4 -47.6 8.9 12.1 7.1 325 495 C Q H X S+ 0 0 80 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.848 112.3 50.8 -64.3 -36.1 6.5 14.9 6.5 326 496 C L H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.918 111.8 46.3 -67.0 -44.9 3.5 12.5 6.5 327 497 C L H X S+ 0 0 5 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.899 113.6 48.9 -65.7 -41.8 4.5 10.9 9.8 328 498 C E H X S+ 0 0 88 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.888 111.6 49.8 -63.5 -39.5 5.2 14.3 11.4 329 499 C A H X>S+ 0 0 5 -4,-2.0 5,-2.5 2,-0.2 4,-1.4 0.892 109.6 50.5 -68.4 -38.9 1.8 15.6 10.2 330 500 C A H <5S+ 0 0 0 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.915 111.9 48.5 -63.4 -42.4 -0.0 12.5 11.5 331 501 C K H <5S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.836 116.7 42.5 -62.9 -35.2 1.7 13.1 14.9 332 502 C A H <5S- 0 0 60 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.607 110.2-116.7 -90.1 -14.0 0.8 16.8 14.9 333 503 C G T <5 + 0 0 32 -4,-1.4 2,-1.4 -3,-0.2 -3,-0.2 0.769 59.0 153.9 78.3 27.6 -2.8 16.4 13.6 334 504 C D >< + 0 0 69 -5,-2.5 4,-1.8 1,-0.2 3,-0.4 -0.658 14.0 174.6 -88.2 83.7 -2.1 18.4 10.5 335 505 C V H > S+ 0 0 31 -2,-1.4 4,-3.2 1,-0.2 -1,-0.2 0.816 71.6 60.2 -67.2 -30.1 -4.8 16.8 8.3 336 506 C E H > S+ 0 0 115 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.910 108.2 44.5 -64.0 -40.6 -4.2 19.1 5.3 337 507 C T H > S+ 0 0 32 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.876 113.0 52.5 -69.6 -35.7 -0.6 17.9 5.0 338 508 C V H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 3,-0.3 0.947 107.2 52.6 -63.0 -46.9 -1.9 14.3 5.5 339 509 C K H < S+ 0 0 94 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.852 112.0 45.1 -54.8 -40.0 -4.4 14.7 2.7 340 510 C K H < S+ 0 0 139 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.783 121.6 36.0 -79.2 -25.9 -1.8 15.9 0.3 341 511 C L H < S+ 0 0 30 -4,-1.5 2,-0.5 -3,-0.3 -2,-0.2 0.620 87.3 107.3-104.1 -16.7 0.8 13.2 1.1 342 512 C C < + 0 0 19 -4,-2.4 2,-0.3 -5,-0.2 3,-0.0 -0.537 41.3 151.8 -72.1 118.4 -1.4 10.2 1.7 343 513 C T > - 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