==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE/HORMONE ACTIVATOR 26-JUN-02 1M2Z . COMPND 2 MOLECULE: GLUCOCORTICOID RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.B.BLEDSOE,V.G.MONTANA,T.B.STANLEY,C.J.DELVES,C.J.APOLITO, . 550 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 70.5 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 . 18 3.3 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 . 0 0.0 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 . 17 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 292 53.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 1 1 2 0 1 0 2 0 0 0 1 2 0 0 1 0 1 1 0 1 0 0 2 0 2 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 . 1 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 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 1 523 A A 0 0 144 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-173.3 64.5 11.4 -16.6 2 524 A T > - 0 0 101 4,-0.1 4,-0.7 3,-0.1 5,-0.1 -0.131 360.0-148.1 -49.8 136.1 60.8 12.2 -17.3 3 525 A L T 4 + 0 0 93 2,-0.2 2,-0.2 3,-0.1 -1,-0.0 -0.953 64.7 76.6-163.6 157.8 58.7 12.7 -14.2 4 526 A P T 4 S- 0 0 117 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.267 120.5 -30.4 -43.5 155.3 56.1 12.6 -12.6 5 527 A Q T 4 S+ 0 0 54 -2,-0.2 -2,-0.2 2,-0.2 -3,-0.1 0.210 75.2 134.1 19.7 34.8 56.4 8.9 -12.0 6 528 A L S < S+ 0 0 134 -4,-0.7 -1,-0.2 1,-0.4 -3,-0.1 0.569 102.0 32.5 -73.8 0.4 58.1 6.9 -14.7 7 529 A T S S- 0 0 101 -5,-0.1 -1,-0.4 0, 0.0 -2,-0.2 -0.665 112.5-130.4-149.4 76.4 59.7 5.5 -11.6 8 530 A P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.281 11.6-133.9 -32.2 152.2 56.8 5.7 -9.0 9 531 A T > - 0 0 52 1,-0.1 4,-1.6 -4,-0.0 3,-0.3 -0.847 18.3-121.2-112.9 148.8 57.1 7.3 -5.6 10 532 A L H > S+ 0 0 42 -2,-0.3 4,-1.7 1,-0.3 3,-0.5 0.926 117.7 45.5 -55.7 -47.3 55.8 5.7 -2.4 11 533 A V H > S+ 0 0 9 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.743 107.2 60.6 -68.6 -21.9 53.6 8.7 -1.7 12 534 A S H > S+ 0 0 24 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.837 103.7 51.0 -70.4 -34.0 52.6 8.6 -5.3 13 535 A L H X S+ 0 0 59 -4,-1.6 4,-1.9 -3,-0.5 3,-0.2 0.934 106.6 52.0 -67.8 -49.6 51.2 5.1 -4.7 14 536 A L H X S+ 0 0 0 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.844 106.7 56.4 -56.4 -35.5 49.2 6.2 -1.6 15 537 A E H < S+ 0 0 89 -4,-1.4 3,-0.3 1,-0.2 -1,-0.2 0.909 110.6 41.7 -64.4 -44.5 47.6 8.9 -3.8 16 538 A V H < S+ 0 0 113 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.736 114.9 50.2 -77.4 -23.9 46.3 6.5 -6.4 17 539 A I H < S+ 0 0 31 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.557 78.1 118.5 -90.5 -9.0 45.1 3.9 -3.9 18 540 A E S < S- 0 0 41 -4,-0.9 34,-0.0 -3,-0.3 -3,-0.0 -0.419 71.5-123.2 -58.7 116.1 43.2 6.4 -1.9 19 541 A P - 0 0 48 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.320 27.4-111.8 -62.5 146.9 39.6 5.1 -2.1 20 542 A E - 0 0 150 1,-0.1 31,-0.0 -3,-0.0 2,-0.0 -0.455 40.2 -84.6 -80.8 155.8 37.2 7.7 -3.5 21 543 A V - 0 0 58 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.289 41.8-144.7 -61.0 136.7 34.4 9.3 -1.4 22 544 A L - 0 0 49 79,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.765 8.4-130.7-103.5 149.4 31.2 7.3 -1.1 23 545 A Y - 0 0 39 -2,-0.3 79,-0.1 79,-0.1 78,-0.0 -0.863 10.7-136.7-102.7 133.6 27.7 8.9 -0.9 24 546 A A - 0 0 19 -2,-0.4 3,-0.1 1,-0.1 -1,-0.1 0.619 25.5-134.8 -62.7 -15.6 25.4 7.7 1.9 25 547 A G + 0 0 27 1,-0.2 2,-0.3 281,-0.0 -1,-0.1 0.946 42.0 176.8 57.0 45.5 22.3 7.6 -0.4 26 548 A Y - 0 0 6 278,-0.1 278,-1.7 279,-0.1 2,-1.1 -0.616 33.1-128.7 -85.8 141.5 20.4 9.3 2.3 27 549 A D B > +A 303 0A 29 -2,-0.3 3,-0.8 276,-0.2 276,-0.2 -0.753 33.3 168.1 -94.0 94.1 16.8 10.3 1.8 28 550 A S T 3 + 0 0 18 274,-1.5 275,-0.2 -2,-1.1 -1,-0.1 0.291 58.9 88.8 -87.8 10.0 16.6 14.0 2.7 29 551 A S T 3 S+ 0 0 69 273,-0.1 -1,-0.2 2,-0.1 274,-0.1 0.677 89.2 52.4 -78.4 -18.2 13.1 14.4 1.2 30 552 A V S < S- 0 0 62 -3,-0.8 271,-0.0 1,-0.1 272,-0.0 -0.868 107.0 -80.8-115.8 151.5 11.7 13.4 4.6 31 553 A P - 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.006 45.7-123.4 -49.6 152.4 12.6 15.0 8.0 32 554 A D + 0 0 57 -4,-0.1 2,-0.3 4,-0.0 3,-0.1 -0.229 26.8 179.8 -89.0-178.2 15.8 14.0 9.8 33 555 A S > - 0 0 35 1,-0.1 4,-2.7 -2,-0.1 5,-0.3 -0.871 43.1-105.0-178.2 149.0 16.2 12.6 13.3 34 556 A T H > S+ 0 0 26 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.938 120.3 51.2 -47.8 -54.0 19.1 11.4 15.5 35 557 A W H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.868 113.1 43.3 -53.0 -44.4 18.2 7.8 14.9 36 558 A R H > S+ 0 0 48 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 112.7 51.3 -72.6 -40.5 18.0 8.1 11.1 37 559 A I H X S+ 0 0 1 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.935 113.6 44.4 -61.0 -48.8 21.2 10.2 10.7 38 560 A M H X S+ 0 0 12 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.909 111.9 51.2 -63.8 -47.2 23.3 7.8 12.8 39 561 A T H X S+ 0 0 15 -4,-1.9 4,-2.3 -5,-0.3 5,-0.2 0.940 111.2 48.6 -56.7 -48.7 22.0 4.6 11.2 40 562 A T H X S+ 0 0 24 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.865 112.0 50.3 -59.3 -37.4 22.7 6.0 7.8 41 563 A L H X S+ 0 0 24 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.827 108.2 52.2 -71.4 -32.6 26.2 6.9 9.0 42 564 A N H X S+ 0 0 27 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.925 109.7 48.0 -68.7 -45.0 26.8 3.4 10.3 43 565 A M H X S+ 0 0 65 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.924 112.7 49.7 -59.7 -44.2 25.8 1.8 7.0 44 566 A L H X S+ 0 0 4 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.906 108.2 54.2 -59.7 -42.4 28.1 4.3 5.3 45 567 A G H X S+ 0 0 9 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.872 103.5 56.1 -60.3 -38.2 30.8 3.4 7.8 46 568 A G H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.953 111.1 42.2 -59.0 -50.7 30.4 -0.3 6.9 47 569 A R H X S+ 0 0 103 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.818 113.9 52.6 -66.3 -32.4 31.1 0.4 3.2 48 570 A Q H X S+ 0 0 24 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.857 109.8 48.3 -71.1 -35.9 34.0 2.8 4.1 49 571 A V H X S+ 0 0 6 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.892 108.7 54.0 -69.2 -40.7 35.6 0.2 6.3 50 572 A I H X S+ 0 0 67 -4,-2.2 4,-1.4 1,-0.2 3,-0.2 0.910 110.5 46.6 -58.3 -43.1 35.2 -2.4 3.5 51 573 A A H X S+ 0 0 25 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.820 105.2 61.1 -68.3 -32.0 37.0 0.1 1.2 52 574 A A H X S+ 0 0 8 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.858 101.7 52.9 -62.9 -36.2 39.7 0.6 3.9 53 575 A V H X S+ 0 0 3 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.938 109.8 46.5 -64.0 -48.3 40.5 -3.1 3.7 54 576 A K H < S+ 0 0 132 -4,-1.4 4,-0.5 1,-0.2 -2,-0.2 0.851 114.8 49.6 -61.4 -35.2 41.0 -2.9 -0.1 55 577 A W H >X S+ 0 0 10 -4,-2.1 3,-1.2 2,-0.2 4,-0.6 0.933 108.3 51.5 -68.2 -49.3 43.1 0.3 0.5 56 578 A A H >< S+ 0 0 0 -4,-3.0 3,-1.0 1,-0.3 7,-0.2 0.856 105.4 55.8 -57.6 -39.5 45.3 -1.3 3.2 57 579 A K T 3< S+ 0 0 18 -4,-2.0 -1,-0.3 1,-0.2 6,-0.3 0.681 104.4 54.4 -69.4 -17.9 46.1 -4.3 1.0 58 580 A A T <4 S+ 0 0 44 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.552 82.2 102.5 -90.9 -10.6 47.4 -1.9 -1.6 59 581 A I S XX S- 0 0 4 -3,-1.0 3,-2.4 -4,-0.6 4,-0.5 -0.656 88.4-108.9 -76.6 109.8 49.8 -0.2 0.8 60 582 A P T 34 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.054 98.7 8.7 -41.8 127.1 53.2 -1.7 0.0 61 583 A G T >4 S+ 0 0 25 -4,-0.1 3,-1.5 1,-0.0 4,-0.4 0.068 99.2 102.9 88.9 -26.1 54.4 -4.1 2.7 62 584 A F G X4 S+ 0 0 2 -3,-2.4 3,-1.4 1,-0.3 2,-0.1 0.943 82.8 45.6 -55.2 -52.8 51.1 -4.1 4.7 63 585 A R G 3< S+ 0 0 97 -4,-0.5 -1,-0.3 -6,-0.3 4,-0.1 -0.007 97.8 72.3 -85.8 32.6 50.0 -7.5 3.4 64 586 A N G < S+ 0 0 121 -3,-1.5 -1,-0.3 -2,-0.1 -2,-0.2 0.369 80.5 91.2-114.8 -10.0 53.4 -9.1 4.0 65 587 A L S < S- 0 0 4 -3,-1.4 5,-0.1 -4,-0.4 96,-0.0 -0.424 104.5 -72.3 -78.2 160.4 52.7 -9.0 7.7 66 588 A H >> - 0 0 76 1,-0.2 4,-1.8 -2,-0.1 3,-1.0 -0.277 46.4-117.2 -55.4 142.4 51.1 -12.0 9.2 67 589 A L H 3> S+ 0 0 40 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.788 115.3 57.3 -53.1 -30.6 47.5 -12.2 8.1 68 590 A D H 3> S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.843 103.1 51.9 -70.8 -34.7 46.4 -11.9 11.7 69 591 A D H <> S+ 0 0 5 -3,-1.0 4,-3.1 2,-0.2 5,-0.3 0.895 105.1 56.4 -67.5 -39.1 48.3 -8.6 12.1 70 592 A Q H X S+ 0 0 9 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.890 111.1 44.5 -57.1 -39.7 46.5 -7.3 9.1 71 593 A M H X S+ 0 0 8 -4,-1.3 4,-1.8 -5,-0.2 -2,-0.2 0.875 113.4 50.4 -71.7 -39.7 43.3 -8.1 10.9 72 594 A T H X S+ 0 0 24 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.958 107.7 51.9 -63.4 -53.6 44.5 -6.6 14.2 73 595 A L H X S+ 0 0 0 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.879 112.2 45.6 -51.4 -46.1 45.6 -3.3 12.7 74 596 A L H >X S+ 0 0 7 -4,-1.3 4,-0.9 -5,-0.3 3,-0.6 0.876 114.4 47.8 -67.4 -38.9 42.3 -2.7 10.9 75 597 A Q H 3< S+ 0 0 6 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.790 113.1 49.9 -70.7 -29.2 40.3 -3.6 14.0 76 598 A Y H 3< S+ 0 0 18 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.481 126.4 21.6 -88.9 -5.7 42.5 -1.4 16.2 77 599 A S H S+ 0 0 25 2,-0.2 4,-3.0 -4,-0.2 5,-0.3 0.906 111.4 49.7 -72.0 -44.2 37.7 4.4 13.8 80 602 A S H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.931 113.7 46.4 -60.3 -47.2 40.9 6.4 13.7 81 603 A L H X S+ 0 0 4 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.945 116.8 42.9 -60.3 -51.9 41.1 6.0 9.9 82 604 A M H X S+ 0 0 32 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.888 116.8 46.7 -63.2 -42.4 37.4 6.8 9.3 83 605 A A H X S+ 0 0 4 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.879 114.1 48.2 -68.2 -39.0 37.4 9.8 11.8 84 606 A F H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.921 112.1 48.0 -67.3 -45.1 40.6 11.1 10.3 85 607 A A H X S+ 0 0 6 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.874 111.1 53.7 -62.1 -37.3 39.3 10.8 6.7 86 608 A L H X S+ 0 0 7 -4,-1.9 4,-2.3 1,-0.2 14,-0.4 0.964 107.1 48.8 -61.0 -54.3 36.1 12.5 7.9 87 609 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.857 109.6 55.3 -54.5 -36.5 38.0 15.5 9.4 88 610 A W H X S+ 0 0 19 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.954 109.3 43.6 -62.5 -52.3 39.9 15.7 6.1 89 611 A R H X S+ 0 0 28 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.829 115.0 51.1 -63.2 -32.2 36.8 16.0 3.9 90 612 A S H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 6,-1.5 0.923 111.9 46.1 -69.5 -45.4 35.3 18.4 6.4 91 613 A Y H X S+ 0 0 20 -4,-2.7 4,-1.2 4,-0.3 -2,-0.2 0.897 119.7 40.4 -62.4 -43.5 38.4 20.6 6.4 92 614 A R H < S+ 0 0 132 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.865 118.6 44.5 -75.0 -40.2 38.6 20.5 2.6 93 615 A Q H < S+ 0 0 20 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.636 138.2 0.3 -83.5 -16.3 34.9 20.9 1.8 94 616 A S H >< S- 0 0 24 -4,-1.5 3,-2.0 -5,-0.1 4,-0.2 0.144 99.7 -96.0-163.0 32.7 34.1 23.6 4.3 95 617 A S T 3< S- 0 0 54 -4,-1.2 -4,-0.3 1,-0.3 -3,-0.1 0.864 81.5 -63.2 50.1 42.9 37.1 24.7 6.3 96 618 A A T 3 S+ 0 0 15 -6,-1.5 -1,-0.3 -9,-0.1 -5,-0.2 0.715 110.7 120.6 57.2 22.6 36.2 22.4 9.2 97 619 A N S < S+ 0 0 120 -3,-2.0 2,-0.2 -7,-0.4 -2,-0.1 0.895 77.8 18.9 -79.6 -43.5 33.0 24.4 9.7 98 620 A L S S- 0 0 54 -8,-0.3 2,-0.7 -4,-0.2 -4,-0.1 -0.687 85.1-106.8-120.0 172.5 30.7 21.5 9.1 99 621 A L E -B 107 0B 0 8,-0.8 8,-2.1 -2,-0.2 2,-1.0 -0.922 27.4-164.2-105.6 114.9 31.2 17.7 9.2 100 622 A C E + 0 0 2 -2,-0.7 6,-0.2 -14,-0.4 -11,-0.1 -0.619 20.5 165.0-101.3 74.3 31.1 16.3 5.7 101 623 A F E S+ 0 0 22 -2,-1.0 -79,-0.2 4,-0.5 -1,-0.2 0.834 84.8 0.3 -54.6 -32.6 30.6 12.5 6.2 102 624 A A E > S-B 105 0B 0 3,-1.5 3,-2.0 -3,-0.2 -1,-0.2 -0.963 79.4-114.4-153.7 142.6 29.7 12.5 2.5 103 625 A P T 3 S+ 0 0 12 0, 0.0 3,-0.1 0, 0.0 -80,-0.1 0.684 123.1 42.2 -55.4 -15.4 29.7 15.5 0.1 104 626 A D T 3 S+ 0 0 5 1,-0.2 2,-0.5 277,-0.1 200,-0.1 0.436 111.7 58.9-107.7 -5.7 25.9 14.9 -0.2 105 627 A L E < +B 102 0B 2 -3,-2.0 -3,-1.5 274,-0.1 -4,-0.5 -0.892 67.0 168.2-128.5 98.6 25.4 14.3 3.6 106 628 A I E - 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0 0 24 -3,-1.4 2,-0.3 4,-0.0 -2,-0.0 -0.702 30.0 -79.1 130.1 177.8 14.8 52.2 -19.9 434 680 D L > - 0 0 13 -2,-0.2 3,-2.3 -5,-0.1 4,-0.2 -0.808 43.1-108.8-113.8 156.8 13.0 51.7 -16.5 435 681 D K T 3 S+ 0 0 117 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.683 125.7 35.9 -60.4 -15.1 10.6 54.2 -15.0 436 682 D S T 3> S+ 0 0 21 1,-0.1 4,-2.5 -94,-0.1 3,-0.5 -0.117 74.3 136.5-126.8 33.3 13.4 54.9 -12.5 437 683 D Q H <> + 0 0 44 -3,-2.3 4,-2.6 1,-0.2 5,-0.3 0.874 69.4 63.2 -46.4 -44.4 16.4 54.6 -14.9 438 684 D E H > S+ 0 0 137 -4,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.932 109.6 36.0 -46.4 -58.7 17.8 57.7 -13.2 439 685 D L H > S+ 0 0 44 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.866 112.5 62.8 -66.2 -38.0 18.1 56.0 -9.8 440 686 D F H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.960 104.1 44.7 -51.5 -61.0 19.0 52.7 -11.3 441 687 D D H X S+ 0 0 79 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.804 112.3 54.8 -55.8 -31.4 22.2 53.9 -12.9 442 688 D E H X S+ 0 0 125 -4,-1.1 4,-2.0 -5,-0.3 -1,-0.2 0.943 111.4 42.7 -67.9 -47.7 23.1 55.7 -9.7 443 689 D I H X S+ 0 0 13 -4,-2.7 4,-1.8 2,-0.2 5,-0.2 0.937 113.2 52.1 -62.4 -49.1 22.7 52.5 -7.6 444 690 D R H X S+ 0 0 31 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.882 108.6 52.4 -55.0 -40.5 24.6 50.5 -10.2 445 691 D M H X S+ 0 0 83 -4,-1.8 4,-2.2 -5,-0.3 3,-0.5 0.935 105.6 54.5 -60.9 -47.4 27.4 53.0 -10.1 446 692 D T H X S+ 0 0 59 -4,-2.0 4,-1.0 1,-0.3 -1,-0.2 0.851 111.0 44.8 -55.3 -39.9 27.5 52.7 -6.3 447 693 D Y H X S+ 0 0 2 -4,-1.8 4,-1.8 2,-0.2 -1,-0.3 0.700 106.9 57.9 -80.7 -20.5 28.0 49.0 -6.5 448 694 D I H X S+ 0 0 20 -4,-1.4 4,-1.3 -3,-0.5 -2,-0.2 0.905 111.9 43.1 -71.3 -41.2 30.6 49.2 -9.3 449 695 D K H X S+ 0 0 140 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.774 109.7 57.9 -71.2 -27.6 32.6 51.4 -6.9 450 696 D E H X S+ 0 0 10 -4,-1.0 4,-1.8 -5,-0.2 -2,-0.2 0.878 104.2 51.5 -69.0 -37.9 31.7 48.9 -4.1 451 697 D L H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.850 107.3 54.3 -65.7 -34.8 33.4 46.2 -6.3 452 698 D G H X S+ 0 0 23 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.924 105.7 51.3 -64.9 -45.3 36.4 48.4 -6.5 453 699 D K H X S+ 0 0 131 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.896 108.0 52.1 -58.3 -44.2 36.7 48.8 -2.7 454 700 D A H < S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.928 109.2 51.1 -58.4 -46.1 36.5 45.0 -2.2 455 701 D I H >X S+ 0 0 3 -4,-1.8 4,-1.6 1,-0.2 3,-1.3 0.912 107.4 52.1 -58.1 -47.5 39.4 44.6 -4.8 456 702 D V H 3< S+ 0 0 81 -4,-2.2 4,-0.3 1,-0.3 -1,-0.2 0.823 109.4 48.3 -62.6 -33.9 41.7 47.1 -3.1 457 703 D K T 3< S+ 0 0 143 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.170 113.9 46.1 -95.8 20.5 41.4 45.5 0.4 458 704 D R T <4 S+ 0 0 96 -3,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.576 108.4 52.7-124.8 -32.4 42.1 42.0 -0.8 459 705 D E S < S- 0 0 50 -4,-1.6 -3,-0.1 -5,-0.2 -2,-0.1 0.956 77.8-142.4 -71.6 -95.2 45.1 42.4 -3.1 460 706 D G S S+ 0 0 51 -4,-0.3 2,-0.3 0, 0.0 -3,-0.1 0.525 70.8 40.1 117.8 90.5 48.1 44.3 -1.8 461 707 D N S S- 0 0 132 -5,-0.2 -5,-0.0 1,-0.1 -2,-0.0 -0.851 82.4-117.3 151.5-105.5 49.9 46.6 -4.1 462 708 D S S > S+ 0 0 81 -2,-0.3 4,-0.7 0, 0.0 3,-0.1 0.113 94.6 71.2 160.6 -26.7 47.9 48.8 -6.6 463 709 D S H >> S+ 0 0 93 1,-0.2 4,-1.1 2,-0.2 3,-0.6 0.911 101.2 46.9 -76.7 -46.1 48.8 47.8 -10.1 464 710 D Q H 3> S+ 0 0 32 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.405 98.0 77.3 -75.3 0.8 47.0 44.5 -10.0 465 711 D N H 3> S+ 0 0 20 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.924 99.7 38.4 -74.7 -48.4 44.1 46.3 -8.5 466 712 D W H X S+ 0 0 18 -4,-1.6 3,-1.3 1,-0.2 4,-0.5 0.929 108.1 49.8 -59.1 -48.5 30.3 40.6 -19.0 478 724 D S H >X S+ 0 0 23 -4,-2.1 4,-1.9 1,-0.3 3,-0.6 0.727 94.1 78.0 -64.0 -21.2 30.7 36.9 -20.0 479 725 D M H 3X S+ 0 0 1 -4,-1.1 4,-2.5 -3,-0.4 -1,-0.3 0.859 84.8 61.8 -56.0 -37.9 27.9 36.1 -17.5 480 726 D H H < S+ 0 0 123 -4,-2.5 3,-0.7 -5,-0.3 -2,-0.2 0.979 112.8 39.6 -56.8 -61.0 13.6 24.2 -24.4 493 739 D T H >< S+ 0 0 8 -4,-2.5 3,-0.8 1,-0.2 8,-0.3 0.746 113.1 58.4 -62.5 -25.4 12.8 21.8 -21.6 494 740 D F H 3< S+ 0 0 54 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.834 107.6 45.7 -73.5 -32.8 10.0 24.1 -20.3 495 741 D L T << S+ 0 0 111 -4,-1.8 2,-0.2 -3,-0.7 -1,-0.2 -0.004 104.4 67.3-100.8 28.7 8.2 23.9 -23.7 496 742 D D X + 0 0 69 -3,-0.8 3,-1.1 5,-0.2 5,-0.5 -0.721 48.1 175.6-149.4 93.5 8.5 20.1 -24.2 497 743 D K T 3 S+ 0 0 159 1,-0.2 -1,-0.1 -2,-0.2 -4,-0.1 0.474 73.5 81.0 -79.8 -0.5 6.5 17.8 -21.8 498 744 D T T 3 S+ 0 0 125 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.796 96.8 48.6 -68.8 -26.0 7.5 14.7 -23.8 499 745 D M S < S- 0 0 83 -3,-1.1 -1,-0.2 -6,-0.1 -2,-0.2 0.749 104.3-151.3 -78.2 -29.3 10.7 15.2 -21.7 500 746 D S + 0 0 56 -4,-0.4 2,-0.3 1,-0.2 -3,-0.2 0.551 33.9 157.0 68.3 14.7 8.3 15.6 -18.7 501 747 D I - 0 0 10 -5,-0.5 2,-0.3 -8,-0.3 -1,-0.2 -0.550 29.4-145.8 -75.1 129.1 10.5 17.9 -16.6 502 748 D E - 0 0 88 -2,-0.3 -184,-0.2 -191,-0.2 -183,-0.2 -0.662 11.3-162.6 -98.5 151.5 8.6 20.0 -14.1 503 749 D F - 0 0 25 -2,-0.3 -184,-0.1 -185,-0.1 -188,-0.1 -0.961 21.2-121.0-128.0 144.4 9.2 23.5 -12.8 504 750 D P > - 0 0 17 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.017 39.6 -86.0 -74.2-173.4 7.7 25.1 -9.6 505 751 D E H > S+ 0 0 137 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.971 121.7 48.2 -59.2 -61.3 5.5 28.2 -9.4 506 752 D M H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.893 118.1 39.9 -48.7 -50.9 8.1 30.9 -9.3 507 753 D L H > S+ 0 0 3 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.912 114.8 51.4 -68.7 -43.5 10.2 29.6 -12.2 508 754 D A H X S+ 0 0 20 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.943 112.0 48.1 -57.6 -48.6 7.2 28.6 -14.3 509 755 D E H X S+ 0 0 45 -4,-2.9 4,-1.3 -5,-0.2 -1,-0.2 0.925 116.7 41.4 -57.8 -50.5 5.7 32.1 -13.9 510 756 D I H X S+ 0 0 1 -4,-2.0 4,-2.5 -5,-0.3 3,-0.3 0.944 113.6 52.1 -64.9 -50.9 8.9 33.9 -14.7 511 757 D I H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 -2,-0.2 0.936 107.2 52.1 -52.1 -53.4 9.9 31.6 -17.6 512 758 D T H < S+ 0 0 35 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.857 111.5 49.1 -52.5 -38.2 6.6 32.0 -19.4 513 759 D N H < S+ 0 0 29 -4,-1.3 4,-0.5 -3,-0.3 -2,-0.2 0.980 117.5 37.5 -65.7 -57.7 6.9 35.8 -19.2 514 760 D Q H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.872 90.1 92.7 -63.1 -45.2 10.5 36.0 -20.5 515 761 D I H X S+ 0 0 31 -4,-3.1 4,-1.1 -5,-0.2 -1,-0.2 0.689 95.2 31.4 -18.3 -65.8 10.3 33.2 -23.2 516 762 D P H > S+ 0 0 73 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.999 120.2 44.9 -66.2 -71.4 9.3 35.5 -26.1 517 763 D K H >>S+ 0 0 66 -4,-0.5 5,-1.1 1,-0.2 4,-0.8 0.721 114.4 55.9 -44.6 -28.5 11.0 38.9 -25.4 518 764 D Y H <5S+ 0 0 31 -4,-2.4 4,-0.3 2,-0.1 5,-0.2 0.998 99.1 47.7 -71.9 -75.9 14.2 37.1 -24.5 519 765 D S H <5S+ 0 0 85 -4,-1.1 -2,-0.1 1,-0.2 -1,-0.1 0.798 107.1 58.8 -34.9 -51.9 15.3 34.8 -27.4 520 766 D N H <5S- 0 0 104 -4,-1.1 -1,-0.2 1,-0.1 -2,-0.1 0.951 107.5-116.5 -45.9 -70.9 14.9 37.5 -30.1 521 767 D G T <5 + 0 0 46 -4,-0.8 -3,-0.1 -3,-0.2 -2,-0.1 0.554 67.4 137.0 128.6 43.9 17.3 40.1 -28.6 522 768 D N < + 0 0 104 -5,-1.1 -91,-0.7 -4,-0.3 2,-0.3 0.103 53.9 90.9-100.0 18.2 15.0 43.0 -27.8 523 769 D I E S-E 430 0E 18 -5,-0.2 2,-0.7 -93,-0.2 -5,-0.0 -0.898 74.8-126.9-118.8 145.7 16.8 43.5 -24.5 524 770 D K E -E 429 0E 112 -95,-1.5 -95,-1.7 -2,-0.3 2,-0.7 -0.822 17.0-158.8 -96.5 115.0 19.8 45.6 -23.6 525 771 D K E -E 428 0E 81 -2,-0.7 -97,-0.2 -97,-0.2 2,-0.2 -0.830 16.9-137.4 -94.4 113.8 22.7 43.8 -21.9 526 772 D L - 0 0 24 -99,-1.6 2,-0.3 -2,-0.7 -46,-0.1 -0.464 26.6-171.8 -70.4 139.5 24.9 46.3 -20.0 527 773 D L - 0 0 97 -2,-0.2 3,-0.1 1,-0.1 -53,-0.1 -0.949 32.3-155.1-135.6 155.0 28.6 45.6 -20.4 528 774 D F S S+ 0 0 57 -55,-0.4 2,-0.4 -2,-0.3 -54,-0.1 0.727 92.5 36.4 -95.1 -29.8 31.9 46.9 -19.0 529 775 D H S S- 0 0 45 -56,-0.2 -1,-0.3 -55,-0.1 2,-0.2 -0.985 79.9-141.8-129.9 120.1 34.0 45.9 -22.0 530 776 D Q 0 0 160 -2,-0.4 -53,-0.0 1,-0.1 -2,-0.0 -0.563 360.0 360.0 -81.2 143.0 32.6 46.2 -25.5 531 777 D K 0 0 221 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 0.974 360.0 360.0 -80.9 360.0 33.6 43.5 -28.0 532 !* 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 0.0 533 734 E P 0 0 182 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-143.8 0.3 49.3 -27.8 534 735 E V + 0 0 132 1,-0.0 0, 0.0 2,-0.0 0, 0.0 -0.426 360.0 168.5 -81.4 155.6 -0.5 45.6 -27.6 535 736 E S - 0 0 83 -2,-0.1 -1,-0.0 0, 0.0 0, 0.0 -0.322 19.7-157.4-164.9 68.9 1.3 43.1 -25.4 536 737 E P S S+ 0 0 106 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.044 72.7 53.6 -47.4 161.4 -0.5 39.7 -25.2 537 738 E K S S+ 0 0 139 1,-0.1 3,-0.1 2,-0.1 0, 0.0 0.828 77.7 176.4 76.2 35.3 0.2 37.4 -22.2 538 739 E K + 0 0 170 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.156 56.6 32.6 -66.2 164.5 -0.8 40.2 -19.7 539 740 E K S S+ 0 0 198 1,-0.1 3,-0.2 2,-0.1 -1,-0.2 0.963 76.5 141.8 49.0 60.8 -1.0 39.5 -16.0 540 741 E E + 0 0 21 1,-0.2 -27,-0.2 -3,-0.1 3,-0.2 0.639 62.0 44.0-104.8 -21.1 1.9 37.0 -16.2 541 742 E N > + 0 0 8 1,-0.1 4,-1.1 2,-0.1 -1,-0.2 -0.502 62.8 135.3-125.8 64.3 3.8 37.8 -13.0 542 743 E A H > S+ 0 0 47 -3,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.877 73.6 51.7 -76.7 -39.9 1.2 38.1 -10.3 543 744 E L H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.928 106.9 52.9 -63.2 -47.4 3.1 36.0 -7.7 544 745 E L H > S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.912 107.3 51.5 -56.1 -47.2 6.4 37.9 -8.1 545 746 E R H >X S+ 0 0 104 -4,-1.1 4,-1.1 1,-0.2 3,-0.6 0.928 106.6 54.5 -57.0 -47.4 4.6 41.3 -7.4 546 747 E Y H >X S+ 0 0 140 -4,-1.7 4,-1.3 1,-0.2 3,-1.0 0.930 106.5 51.2 -51.2 -51.4 3.0 39.9 -4.3 547 748 E L H 3< S+ 0 0 33 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.787 107.6 54.2 -58.6 -30.6 6.4 38.9 -2.8 548 749 E L H << S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.687 107.4 49.8 -79.5 -19.6 7.8 42.3 -3.5 549 750 E D H << S+ 0 0 88 -4,-1.1 -2,-0.2 -3,-1.0 -3,-0.1 0.954 98.6 60.8 -84.8 -57.1 5.2 44.3 -1.6 550 751 E K < + 0 0 121 -4,-1.3 -3,-0.0 2,-0.0 0, 0.0 0.444 58.2 113.1 -53.3-160.4 4.7 42.7 1.8 551 752 E D + 0 0 90 2,-0.0 2,-0.0 0, 0.0 -3,-0.0 0.261 17.8 110.1 99.0 142.2 7.4 42.3 4.6 552 753 E D 0 0 133 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.465 360.0 360.0 165.4 -78.1 8.1 43.7 8.1 553 754 E T 0 0 190 -2,-0.0 -2,-0.0 0, 0.0 0, 0.0 -0.236 360.0 360.0 54.8 360.0 7.7 41.1 10.8