==== 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 3TWV . COMPND 2 MOLECULE: TANKYRASE-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.GUETTLER,F.SICHERI . 672 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29666.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 432 64.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 . 37 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 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 3 0 0 19 1 12 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 1 490 A S > 0 0 116 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 166.2 -29.0 -2.7 13.8 2 491 A E H > + 0 0 103 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.877 360.0 51.6 -67.8 -42.2 -30.6 -4.6 10.9 3 492 A A H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 113.1 45.1 -60.6 -46.2 -27.3 -5.3 8.9 4 493 A D H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.889 111.4 54.0 -65.6 -38.7 -25.6 -6.8 12.0 5 494 A R H X S+ 0 0 110 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.893 111.0 45.7 -62.3 -40.3 -28.8 -8.8 12.8 6 495 A Q H X S+ 0 0 80 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.895 109.8 53.8 -69.7 -41.5 -28.8 -10.3 9.3 7 496 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.959 109.2 49.2 -56.5 -50.5 -25.1 -11.1 9.4 8 497 A L H X S+ 0 0 9 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.889 110.9 49.7 -54.6 -45.4 -25.6 -13.0 12.7 9 498 A E H X S+ 0 0 95 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.856 111.5 49.7 -62.3 -37.1 -28.5 -14.9 11.2 10 499 A A H X>S+ 0 0 4 -4,-2.3 5,-2.2 2,-0.2 4,-1.5 0.911 109.4 49.5 -68.3 -43.7 -26.4 -15.8 8.1 11 500 A A H <5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.862 113.2 48.8 -65.0 -33.2 -23.4 -17.0 10.2 12 501 A K H <5S+ 0 0 68 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.891 114.7 43.8 -70.6 -41.2 -25.9 -19.1 12.1 13 502 A A H <5S- 0 0 59 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.598 109.5-119.4 -78.9 -15.2 -27.5 -20.5 9.0 14 503 A G T <5 + 0 0 22 -4,-1.5 2,-1.8 1,-0.2 -3,-0.2 0.718 55.9 159.7 79.2 21.2 -24.2 -21.1 7.2 15 504 A D >>< + 0 0 68 -5,-2.2 4,-2.0 -6,-0.2 3,-0.5 -0.565 13.3 178.3 -82.4 82.4 -25.3 -18.8 4.5 16 505 A V H 3> S+ 0 0 37 -2,-1.8 4,-2.9 1,-0.3 5,-0.2 0.871 72.7 53.2 -55.9 -49.0 -21.9 -18.0 3.1 17 506 A E H 3> S+ 0 0 134 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.851 110.9 47.5 -60.8 -34.2 -22.9 -15.7 0.2 18 507 A T H <> S+ 0 0 44 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.864 110.2 53.3 -77.4 -33.8 -24.9 -13.5 2.6 19 508 A V H >X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-0.6 0.944 106.9 51.4 -58.8 -47.4 -22.0 -13.4 5.0 20 509 A K H 3< S+ 0 0 104 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.848 110.9 50.8 -59.2 -30.7 -19.7 -12.2 2.2 21 510 A K H 3< S+ 0 0 178 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.785 119.8 31.1 -79.2 -27.6 -22.2 -9.5 1.4 22 511 A L H << S+ 0 0 36 -4,-1.4 2,-1.2 -3,-0.6 -2,-0.2 0.511 86.4 108.2-112.8 -6.8 -22.6 -8.1 5.0 23 512 A C < + 0 0 20 -4,-2.1 2,-0.2 -5,-0.2 -1,-0.0 -0.606 42.0 158.3 -80.3 98.0 -19.1 -8.7 6.5 24 513 A T > - 0 0 63 -2,-1.2 4,-2.0 1,-0.1 3,-0.4 -0.628 58.6-103.3-106.1 171.7 -17.5 -5.3 6.8 25 514 A V T 4 S+ 0 0 72 1,-0.2 4,-0.3 -2,-0.2 384,-0.3 0.810 125.3 52.0 -62.0 -28.9 -14.6 -4.3 9.1 26 515 A Q T 4 S+ 0 0 131 382,-0.2 -1,-0.2 1,-0.1 383,-0.1 0.775 119.8 31.2 -74.7 -28.7 -17.4 -2.6 11.2 27 516 A S T >4 S+ 0 0 5 -3,-0.4 3,-2.2 1,-0.1 -2,-0.2 0.595 88.2 90.9-112.4 -13.9 -19.6 -5.7 11.5 28 517 A V T 3< S+ 0 0 3 -4,-2.0 13,-0.3 1,-0.3 -1,-0.1 0.779 102.7 33.7 -61.5 -28.1 -17.3 -8.8 11.5 29 518 A N T 3 S+ 0 0 31 -4,-0.3 -1,-0.3 32,-0.1 -2,-0.1 -0.100 88.0 138.3-115.9 33.6 -17.1 -8.6 15.3 30 519 A C < - 0 0 14 -3,-2.2 2,-0.4 -26,-0.1 -3,-0.1 -0.322 45.3-130.4 -71.3 165.5 -20.6 -7.3 16.0 31 520 A R - 0 0 29 8,-0.2 2,-1.4 9,-0.1 8,-0.2 -0.957 13.4-115.8-128.1 139.0 -22.5 -8.9 18.9 32 521 A D > > - 0 0 29 6,-2.9 5,-1.8 -2,-0.4 3,-1.1 -0.543 30.9-174.5 -72.5 93.7 -26.1 -10.3 19.3 33 522 A I T 3 5S+ 0 0 118 -2,-1.4 -1,-0.2 1,-0.2 -3,-0.0 0.816 77.6 57.4 -62.3 -31.3 -27.5 -7.8 21.8 34 523 A E T 3 5S+ 0 0 160 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.680 116.4 27.2 -77.2 -16.1 -30.8 -9.7 22.1 35 524 A G T < 5S- 0 0 31 -3,-1.1 -4,-0.0 3,-0.1 -2,-0.0 0.305 125.8 -44.8-112.4-123.7 -29.2 -13.0 23.2 36 525 A R T 5S- 0 0 26 32,-0.0 32,-2.6 33,-0.0 33,-0.4 -0.071 83.5 -99.9-105.7 32.0 -25.9 -13.7 25.0 37 526 A Q < + 0 0 48 -5,-1.8 -4,-0.2 30,-0.2 2,-0.0 0.780 59.6 175.6 57.8 34.0 -24.0 -11.3 22.8 38 527 A S - 0 0 0 -6,-0.3 -6,-2.9 -7,-0.2 -1,-0.2 -0.331 22.4-134.5 -62.6 149.5 -22.5 -13.9 20.5 39 528 A T > - 0 0 1 -8,-0.2 4,-1.9 26,-0.1 5,-0.2 -0.506 32.5 -96.5 -94.7 171.9 -20.4 -12.7 17.6 40 529 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.879 128.1 53.3 -58.9 -31.1 -20.8 -14.0 14.0 41 530 A L H > S+ 0 0 0 -13,-0.3 4,-2.7 2,-0.2 5,-0.2 0.903 103.9 54.3 -69.0 -43.6 -17.9 -16.4 14.8 42 531 A H H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.916 113.6 43.4 -49.0 -47.8 -19.6 -17.7 17.9 43 532 A F H X S+ 0 0 10 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.929 114.0 47.8 -68.5 -48.8 -22.6 -18.6 15.8 44 533 A A H <>S+ 0 0 0 -4,-2.5 5,-3.3 -5,-0.2 9,-0.2 0.884 117.5 45.3 -59.3 -38.7 -20.7 -20.1 12.9 45 534 A A H ><5S+ 0 0 0 -4,-2.7 3,-1.2 3,-0.2 -2,-0.2 0.933 113.0 47.5 -72.5 -48.4 -18.7 -22.1 15.3 46 535 A G H 3<5S+ 0 0 0 -4,-2.8 591,-2.0 1,-0.3 -2,-0.2 0.822 116.9 44.3 -64.2 -31.0 -21.5 -23.3 17.5 47 536 A Y T 3<5S- 0 0 14 -4,-2.4 -1,-0.3 589,-0.3 -2,-0.2 0.269 112.3-117.8-101.3 11.5 -23.5 -24.3 14.4 48 537 A N T < 5 + 0 0 20 -3,-1.2 2,-1.0 1,-0.2 -3,-0.2 0.904 53.9 159.5 58.9 47.0 -20.6 -26.0 12.7 49 538 A R >< + 0 0 62 -5,-3.3 4,-2.8 1,-0.2 -1,-0.2 -0.739 13.0 179.1 -98.9 81.4 -20.5 -23.6 9.6 50 539 A V H > S+ 0 0 0 -2,-1.0 4,-2.8 1,-0.2 -1,-0.2 0.878 74.8 48.7 -53.5 -49.3 -17.0 -24.4 8.6 51 540 A S H > S+ 0 0 59 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.906 113.5 47.3 -62.0 -42.9 -16.8 -22.1 5.5 52 541 A V H > S+ 0 0 0 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.942 111.3 51.8 -64.2 -46.0 -18.3 -19.2 7.4 53 542 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.908 112.7 45.9 -52.3 -48.5 -15.8 -19.8 10.3 54 543 A E H X S+ 0 0 56 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.966 114.2 47.2 -59.5 -57.2 -12.9 -19.8 7.7 55 544 A Y H X S+ 0 0 39 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.939 113.5 47.9 -47.2 -56.9 -14.2 -16.7 6.0 56 545 A L H <>S+ 0 0 0 -4,-3.4 5,-2.7 1,-0.2 3,-0.2 0.910 112.3 48.8 -56.4 -46.7 -14.8 -14.8 9.2 57 546 A L H ><5S+ 0 0 20 -4,-2.4 3,-1.3 -5,-0.3 -1,-0.2 0.918 112.1 49.2 -58.5 -43.2 -11.3 -15.7 10.6 58 547 A Q H 3<5S+ 0 0 128 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.795 111.4 50.4 -69.1 -24.5 -9.7 -14.6 7.3 59 548 A H T 3<5S- 0 0 94 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.201 131.4 -81.8-104.0 16.4 -11.6 -11.3 7.4 60 549 A G T < 5 + 0 0 20 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.624 65.1 163.8 102.6 17.9 -10.7 -10.3 10.9 61 550 A A < - 0 0 12 -5,-2.7 2,-0.9 -6,-0.2 -1,-0.2 -0.420 44.2-115.5 -66.3 139.2 -13.1 -12.2 13.4 62 551 A D > - 0 0 7 1,-0.2 3,-1.3 -34,-0.1 -1,-0.1 -0.693 22.9-166.3 -85.4 108.3 -11.7 -12.1 16.9 63 552 A V T 3 S+ 0 0 12 -2,-0.9 11,-0.4 1,-0.2 -1,-0.2 0.677 89.3 48.6 -64.0 -19.0 -11.0 -15.7 17.9 64 553 A H T 3 S+ 0 0 32 8,-0.1 -1,-0.2 30,-0.1 2,-0.1 0.363 77.0 131.1-103.7 1.2 -10.7 -14.5 21.6 65 554 A A < - 0 0 2 -3,-1.3 2,-0.4 1,-0.1 378,-0.2 -0.373 47.3-145.2 -64.5 128.8 -13.9 -12.5 21.9 66 555 A K - 0 0 14 376,-1.8 6,-0.2 6,-0.1 -1,-0.1 -0.771 7.6-142.2 -92.6 139.7 -15.9 -13.4 25.0 67 556 A D > - 0 0 7 4,-2.3 3,-1.6 -2,-0.4 -30,-0.2 -0.090 45.8 -73.4 -82.1-165.2 -19.7 -13.3 24.9 68 557 A K T 3 S+ 0 0 114 -32,-2.6 -31,-0.1 1,-0.3 -2,-0.0 0.841 135.9 43.5 -65.5 -34.1 -21.9 -12.1 27.8 69 558 A G T 3 S- 0 0 8 -33,-0.4 32,-2.2 2,-0.1 33,-0.4 0.323 124.6-100.6 -92.3 6.2 -21.2 -15.2 29.8 70 559 A G S < S+ 0 0 5 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.730 72.1 147.9 84.9 23.7 -17.5 -15.2 29.0 71 560 A L - 0 0 1 29,-0.1 -4,-2.3 3,-0.0 -1,-0.3 -0.719 33.2-155.3 -90.9 140.9 -17.5 -17.8 26.3 72 561 A V >> - 0 0 6 -2,-0.3 3,-1.9 -6,-0.2 4,-1.1 -0.747 38.4 -99.8-103.6 162.2 -15.1 -17.8 23.4 73 562 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.785 121.6 66.0 -56.0 -26.7 -16.1 -19.5 20.1 74 563 A L H 3> S+ 0 0 1 -11,-0.4 4,-2.7 1,-0.2 5,-0.2 0.877 96.8 55.3 -62.0 -35.4 -13.9 -22.4 21.1 75 564 A H H <> S+ 0 0 0 -3,-1.9 4,-3.2 1,-0.2 5,-0.3 0.963 108.8 48.1 -56.4 -51.3 -16.3 -23.1 24.0 76 565 A N H X S+ 0 0 0 -4,-1.1 4,-1.3 1,-0.2 6,-0.2 0.868 113.7 46.9 -58.1 -40.3 -19.1 -23.3 21.4 77 566 A A H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-0.4 0.915 116.0 43.9 -69.4 -41.0 -17.1 -25.6 19.2 78 567 A C H ><5S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.916 110.3 53.0 -76.4 -41.2 -16.1 -27.9 22.0 79 568 A S H 3<5S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.831 115.1 41.7 -63.0 -33.5 -19.5 -28.1 23.7 80 569 A Y T 3<5S- 0 0 2 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.372 113.7-113.7-100.8 6.3 -21.2 -29.1 20.5 81 570 A G T < 5 + 0 0 25 -3,-1.0 2,-1.3 -4,-0.4 -3,-0.2 0.690 56.4 157.6 79.5 20.5 -18.5 -31.5 19.3 82 571 A H >< + 0 0 4 -5,-2.3 4,-2.4 -6,-0.2 -1,-0.2 -0.620 11.8 176.0 -84.7 92.9 -17.4 -29.6 16.2 83 572 A Y H > S+ 0 0 76 -2,-1.3 4,-2.8 2,-0.2 5,-0.2 0.964 75.3 45.6 -65.4 -58.6 -13.9 -31.1 15.8 84 573 A E H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.917 114.7 50.2 -50.9 -47.3 -12.8 -29.4 12.5 85 574 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.932 110.0 50.3 -57.4 -44.3 -14.1 -26.0 13.8 86 575 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.924 110.9 49.6 -59.4 -45.8 -12.2 -26.5 17.1 87 576 A E H X S+ 0 0 49 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.869 108.8 52.7 -60.4 -43.0 -9.0 -27.3 15.0 88 577 A L H X S+ 0 0 17 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.917 111.3 45.6 -58.8 -46.1 -9.5 -24.2 12.9 89 578 A L H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 -2,-0.2 0.940 114.3 47.5 -67.1 -45.3 -9.8 -21.9 16.0 90 579 A V H ><5S+ 0 0 15 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.912 110.5 51.8 -61.8 -44.1 -6.8 -23.4 17.7 91 580 A K H 3<5S+ 0 0 170 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.847 107.5 55.2 -63.5 -32.0 -4.7 -23.2 14.6 92 581 A H T 3<5S- 0 0 83 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.345 133.8 -86.3 -85.3 7.3 -5.7 -19.6 14.4 93 582 A G T < 5 + 0 0 42 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.452 65.5 165.7 112.9 1.5 -4.5 -18.9 18.0 94 583 A A < - 0 0 13 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.2 -0.170 39.8-122.3 -49.8 135.9 -7.3 -19.8 20.3 95 584 A V > - 0 0 59 1,-0.1 3,-0.7 -32,-0.1 -1,-0.1 -0.736 19.8-159.8 -82.3 125.0 -6.3 -20.1 23.9 96 585 A V T 3 S+ 0 0 14 -2,-0.5 11,-0.4 29,-0.2 -1,-0.1 0.774 86.5 53.9 -80.8 -24.8 -7.2 -23.6 25.0 97 586 A N T 3 S+ 0 0 54 8,-0.1 -1,-0.2 9,-0.1 -2,-0.0 0.185 79.2 139.0 -94.1 17.3 -7.2 -22.9 28.8 98 587 A V < - 0 0 7 -3,-0.7 2,-0.4 1,-0.0 -26,-0.0 -0.251 37.8-154.5 -63.2 150.0 -9.6 -20.0 28.4 99 588 A A - 0 0 5 6,-0.2 6,-0.2 7,-0.1 347,-0.1 -0.991 5.3-138.0-138.7 133.8 -12.3 -19.8 31.0 100 589 A D > - 0 0 7 4,-2.3 3,-2.5 -2,-0.4 -30,-0.3 -0.033 49.7 -76.2 -78.6-171.2 -15.8 -18.3 31.1 101 590 A L T 3 S+ 0 0 86 -32,-2.2 -31,-0.1 1,-0.3 -1,-0.1 0.730 136.7 46.3 -60.6 -23.0 -17.4 -16.4 33.9 102 591 A W T 3 S- 0 0 76 -33,-0.4 32,-2.8 2,-0.1 33,-0.3 0.236 121.3-108.2-103.1 10.6 -17.9 -19.6 35.9 103 592 A K < + 0 0 80 -3,-2.5 2,-0.5 1,-0.3 -2,-0.1 0.757 66.9 153.4 64.8 26.9 -14.4 -20.7 35.1 104 593 A F - 0 0 24 29,-0.1 -4,-2.3 4,-0.0 -1,-0.3 -0.760 27.9-158.3 -79.9 128.7 -15.5 -23.4 32.7 105 594 A T >> - 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0 0 12 -5,-2.0 2,-0.5 -6,-0.1 -1,-0.3 -0.354 37.9-131.1 -61.9 145.0 -50.4 -25.7 26.5 253 584 B V > - 0 0 79 -32,-0.2 3,-1.3 1,-0.1 -21,-0.1 -0.886 7.5-153.0-106.5 121.8 -48.2 -26.6 23.5 254 585 B V T 3 S+ 0 0 16 -2,-0.5 11,-0.4 1,-0.3 -1,-0.1 0.690 91.5 53.8 -73.8 -16.8 -46.6 -30.1 23.6 255 586 B N T 3 S+ 0 0 71 8,-0.1 -1,-0.3 9,-0.1 2,-0.1 0.174 76.5 132.7-102.8 18.7 -43.6 -29.3 21.4 256 587 B V < - 0 0 27 -3,-1.3 2,-0.4 1,-0.0 -26,-0.1 -0.395 42.7-151.2 -64.9 143.0 -42.5 -26.3 23.6 257 588 B A - 0 0 38 6,-0.2 6,-0.2 -2,-0.1 -2,-0.1 -0.947 5.0-139.4-125.4 140.9 -38.7 -26.3 24.4 258 589 B D > - 0 0 8 4,-2.2 3,-1.7 -2,-0.4 -30,-0.2 0.022 51.1 -76.5 -77.2-165.1 -36.7 -25.0 27.3 259 590 B L T 3 S+ 0 0 77 -32,-2.4 -31,-0.1 1,-0.3 374,-0.1 0.811 136.8 49.9 -67.0 -27.2 -33.3 -23.3 27.0 260 591 B W T 3 S- 0 0 29 -33,-0.4 32,-1.8 2,-0.1 33,-0.4 0.263 119.9-111.7 -91.0 10.0 -31.6 -26.6 26.4 261 592 B K < + 0 0 54 -3,-1.7 2,-0.5 1,-0.2 -2,-0.1 0.752 66.0 153.4 55.4 28.5 -34.2 -27.4 23.8 262 593 B F - 0 0 23 29,-0.1 -4,-2.2 4,-0.1 -1,-0.2 -0.762 29.7-155.7 -78.8 125.1 -35.7 -30.1 26.0 263 594 B T >> - 0 0 2 -2,-0.5 4,-2.1 -6,-0.2 3,-0.5 -0.492 36.1 -97.9 -89.4 168.6 -39.4 -30.7 25.2 264 595 B P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.841 127.6 56.9 -53.4 -32.0 -41.9 -32.2 27.7 265 596 B L H 3> S+ 0 0 1 -11,-0.4 4,-2.4 2,-0.2 5,-0.2 0.827 103.4 50.2 -70.9 -35.2 -41.3 -35.5 25.9 266 597 B H H <> S+ 0 0 0 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.938 113.7 47.9 -61.5 -46.6 -37.5 -35.3 26.5 267 598 B E H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.958 113.9 44.8 -60.2 -54.9 -38.3 -34.7 30.2 268 599 B A H X>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-0.5 0.895 114.3 49.4 -55.0 -48.6 -40.8 -37.5 30.4 269 600 B A H ><5S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 33,-0.5 0.941 111.8 48.5 -58.1 -48.6 -38.5 -39.9 28.6 270 601 B A H 3<5S+ 0 0 30 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.851 113.2 47.5 -64.1 -33.7 -35.6 -39.1 30.8 271 602 B K H 3<5S- 0 0 64 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.439 113.0-116.0 -89.5 1.7 -37.6 -39.5 34.0 272 603 B G T <<5 + 0 0 26 -3,-1.2 2,-1.2 -4,-0.5 -3,-0.2 0.832 57.4 155.8 74.2 32.3 -39.1 -42.8 33.0 273 604 B K >< + 0 0 42 -5,-2.5 4,-2.2 1,-0.2 -1,-0.2 -0.702 13.4 175.9 -98.5 87.4 -42.8 -41.6 32.8 274 605 B Y H > S+ 0 0 83 -2,-1.2 4,-2.6 1,-0.2 5,-0.2 0.921 76.7 49.7 -55.2 -55.8 -44.4 -44.1 30.4 275 606 B E H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.831 112.5 50.6 -57.5 -33.0 -48.0 -42.8 30.7 276 607 B I H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.920 108.6 49.5 -72.3 -44.0 -46.8 -39.3 30.0 277 608 B C H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.937 114.5 46.0 -57.3 -47.0 -44.7 -40.2 27.0 278 609 B K H X S+ 0 0 82 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.901 112.9 49.8 -64.7 -42.0 -47.8 -42.0 25.6 279 610 B L H X S+ 0 0 3 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.927 111.8 48.5 -61.2 -43.9 -50.1 -39.1 26.5 280 611 B L H ><>S+ 0 0 3 -4,-3.0 5,-2.3 1,-0.2 3,-0.6 0.927 110.7 50.8 -62.0 -48.3 -47.7 -36.6 24.8 281 612 B L H ><5S+ 0 0 47 -4,-2.7 3,-2.1 1,-0.2 -1,-0.2 0.902 105.7 56.0 -53.7 -45.8 -47.5 -38.8 21.7 282 613 B Q H 3<5S+ 0 0 125 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.780 105.1 52.9 -61.3 -26.2 -51.3 -39.0 21.5 283 614 B H T <<5S- 0 0 79 -4,-1.2 -1,-0.3 -3,-0.6 -29,-0.2 0.229 130.1 -97.4 -91.7 13.9 -51.3 -35.2 21.5 284 615 B G T < 5 + 0 0 52 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.2 0.715 59.4 173.0 82.4 22.4 -48.9 -35.2 18.5 285 616 B A < - 0 0 6 -5,-2.3 -1,-0.2 -8,-0.1 -30,-0.1 -0.371 35.7-118.2 -61.2 140.8 -45.6 -34.7 20.3 286 617 B D > - 0 0 56 1,-0.1 3,-0.8 -2,-0.1 -21,-0.1 -0.733 24.3-171.2 -87.3 113.2 -42.6 -35.0 18.0 287 618 B P T 3 S+ 0 0 44 0, 0.0 11,-0.5 0, 0.0 -1,-0.1 0.457 82.8 62.2 -82.1 -1.8 -40.3 -37.9 19.1 288 619 B T T 3 S+ 0 0 92 8,-0.1 2,-0.3 9,-0.1 -2,-0.0 0.476 71.7 121.7 -98.8 -5.6 -37.7 -36.9 16.5 289 620 B K < - 0 0 90 -3,-0.8 2,-0.3 1,-0.1 -26,-0.2 -0.424 52.7-150.1 -61.3 118.1 -37.0 -33.5 18.0 290 621 B K - 0 0 46 -2,-0.3 6,-0.3 6,-0.2 2,-0.1 -0.658 4.5-138.3 -88.3 142.8 -33.4 -33.2 19.0 291 622 B N > - 0 0 5 4,-2.1 3,-1.9 -2,-0.3 -30,-0.2 -0.285 42.3 -82.3 -85.1-172.5 -32.3 -31.1 21.9 292 623 B R T 3 S+ 0 0 42 -32,-1.8 346,-2.5 1,-0.3 347,-0.3 0.843 131.7 53.6 -65.1 -36.2 -29.2 -28.9 21.7 293 624 B D T 3 S- 0 0 42 -33,-0.4 -1,-0.3 344,-0.2 344,-0.1 0.498 125.0-103.9 -73.7 -3.9 -26.8 -31.8 22.6 294 625 B G S < S+ 0 0 3 -3,-1.9 2,-0.5 1,-0.3 -2,-0.2 0.599 73.8 142.1 94.9 14.7 -28.4 -33.7 19.7 295 626 B N - 0 0 49 3,-0.0 -4,-2.1 4,-0.0 -1,-0.3 -0.778 38.3-155.3 -98.1 127.2 -30.6 -36.0 21.7 296 627 B T >> - 0 0 18 -2,-0.5 4,-0.8 -6,-0.3 3,-0.5 -0.477 43.5 -98.4 -79.0 165.2 -34.1 -37.1 20.7 297 628 B P H >> S+ 0 0 0 0, 0.0 3,-1.1 0, 0.0 4,-0.7 0.896 126.7 57.9 -53.9 -37.8 -36.3 -38.2 23.7 298 629 B L H >4 S+ 0 0 37 -11,-0.5 3,-1.1 1,-0.3 15,-0.1 0.892 99.0 58.0 -59.0 -38.7 -35.5 -41.8 22.8 299 630 B D H <4 S+ 0 0 73 -3,-0.5 -1,-0.3 1,-0.2 -4,-0.0 0.755 105.2 53.3 -61.3 -25.5 -31.7 -41.1 23.2 300 631 B L H << S+ 0 0 40 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.565 79.6 113.1 -90.7 -11.9 -32.5 -39.9 26.8 301 632 B V S << S- 0 0 10 -3,-1.1 -31,-0.2 -4,-0.7 3,-0.1 -0.417 73.1-113.9 -60.8 129.7 -34.3 -43.1 28.0 302 633 B K > - 0 0 110 -33,-0.5 3,-1.8 -32,-0.2 7,-0.2 -0.357 35.0 -99.6 -61.2 142.7 -32.4 -45.0 30.7 303 634 B D T 3 S+ 0 0 154 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.398 114.5 38.9 -57.6 142.7 -31.2 -48.5 29.7 304 635 B G T 3 S+ 0 0 60 -3,-0.1 2,-2.0 1,-0.1 3,-0.3 -0.079 86.5 98.6 98.6 -34.3 -33.7 -50.9 31.1 305 636 B D <> + 0 0 44 -3,-1.8 4,-1.9 1,-0.2 3,-0.2 -0.303 44.2 150.4 -78.7 56.0 -36.6 -48.7 30.3 306 637 B T H > + 0 0 78 -2,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.779 62.4 59.4 -64.8 -27.5 -37.1 -50.9 27.2 307 638 B D H > S+ 0 0 89 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.951 107.2 45.5 -66.3 -47.4 -40.9 -50.3 27.1 308 639 B I H > S+ 0 0 2 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.883 112.9 53.0 -59.1 -38.9 -40.4 -46.5 26.8 309 640 B Q H X S+ 0 0 40 -4,-1.9 4,-2.3 2,-0.2 3,-0.5 0.965 110.9 44.6 -60.6 -52.0 -37.8 -47.2 24.2 310 641 B D H < S+ 0 0 120 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.864 111.8 55.2 -60.5 -35.5 -40.2 -49.4 22.1 311 642 B L H < S+ 0 0 43 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.826 112.1 42.0 -65.1 -33.5 -42.9 -46.8 22.6 312 643 B L H < 0 0 15 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.864 360.0 360.0 -85.8 -34.8 -40.7 -44.1 21.2 313 644 B R < 0 0 220 -4,-2.3 -4,-0.0 -5,-0.2 -3,-0.0 -0.193 360.0 360.0 -49.1 360.0 -39.2 -46.0 18.2 314 !* 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 0.0 315 488 C G 0 0 121 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.5 17.7 6.4 5.3 316 489 C N - 0 0 47 1,-0.1 32,-0.1 4,-0.1 5,-0.0 -0.270 360.0-128.7 -55.2 116.3 14.3 7.9 6.3 317 490 C S > - 0 0 57 -2,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.234 11.8-122.1 -67.7 156.9 12.8 9.6 3.3 318 491 C E H > S+ 0 0 100 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.942 108.6 46.2 -69.6 -50.3 11.6 13.2 3.5 319 492 C A H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 116.7 47.8 -59.3 -40.7 8.0 12.8 2.5 320 493 C D H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 111.4 49.8 -64.8 -42.9 7.8 9.8 4.8 321 494 C R H X S+ 0 0 110 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.927 113.6 46.2 -63.1 -43.8 9.4 11.7 7.6 322 495 C Q H X S+ 0 0 72 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.839 111.2 51.7 -67.2 -35.7 7.0 14.6 7.1 323 496 C L H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.926 112.0 46.8 -66.1 -42.7 4.0 12.3 6.9 324 497 C L H X S+ 0 0 7 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.905 114.2 47.6 -65.0 -40.8 5.0 10.7 10.2 325 498 C E H X S+ 0 0 93 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.846 110.8 51.8 -68.6 -36.3 5.6 14.1 11.8 326 499 C A H X>S+ 0 0 5 -4,-2.4 5,-1.7 2,-0.2 4,-1.3 0.851 108.5 50.6 -67.9 -36.8 2.2 15.4 10.5 327 500 C A H <5S+ 0 0 0 -4,-2.1 3,-0.3 2,-0.2 -2,-0.2 0.932 112.7 46.7 -66.9 -44.4 0.4 12.4 11.9 328 501 C K H <5S+ 0 0 72 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.885 116.9 43.9 -60.9 -40.8 2.1 12.9 15.3 329 502 C A H <5S- 0 0 58 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.610 108.7-119.7 -83.6 -15.7 1.3 16.7 15.2 330 503 C G T <5 + 0 0 28 -4,-1.3 2,-1.4 -3,-0.3 -3,-0.2 0.694 56.6 155.3 79.9 20.0 -2.3 16.4 14.0 331 504 C D >< + 0 0 70 -5,-1.7 4,-2.0 1,-0.2 -1,-0.2 -0.657 15.6 178.2 -79.3 91.2 -1.6 18.4 10.8 332 505 C V H > S+ 0 0 35 -2,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.842 72.8 57.4 -71.1 -32.2 -4.4 16.9 8.8 333 506 C E H > S+ 0 0 121 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.921 109.8 43.5 -66.4 -44.2 -3.7 19.1 5.7 334 507 C T H > S+ 0 0 33 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.877 112.3 54.2 -66.5 -37.8 -0.1 17.8 5.4 335 508 C V H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 3,-0.3 0.944 107.6 51.2 -59.1 -43.5 -1.3 14.3 6.1 336 509 C K H < S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.838 110.4 49.1 -60.3 -36.1 -3.8 14.6 3.2 337 510 C K H < S+ 0 0 142 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.801 119.6 35.1 -76.8 -29.0 -1.1 15.8 0.8 338 511 C L H < S+ 0 0 25 -4,-1.7 2,-0.6 -3,-0.3 -2,-0.2 0.605 87.5 110.2-103.0 -14.1 1.4 13.0 1.6 339 512 C C < + 0 0 20 -4,-1.9 2,-0.3 -5,-0.2 -4,-0.0 -0.533 39.1 148.7 -72.9 112.3 -0.9 10.1 2.2 340 513 C T > - 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