==== 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 TRANSCRIPTION 29-SEP-09 3K23 . COMPND 2 MOLECULE: GLUCOCORTICOID RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.B.BIGGADIKE,I.M.MCLAY,K.P.MADAUSS,S.P.WILLIAMS,R.K.BLEDSOE . 767 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 554 72.2 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 . 27 3.5 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 25 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 423 55.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 1 1 1 2 3 0 0 0 3 1 1 0 2 1 0 0 2 0 1 1 2 0 0 2 1 0 3 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 6 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 . 6 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 1 525 A L > 0 0 172 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -50.6 33.8 11.3 27.3 2 526 A P T 3 + 0 0 103 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.404 360.0 84.1 -83.8 5.2 34.5 7.8 26.0 3 527 A Q T 3 S+ 0 0 97 1,-0.2 4,-0.1 3,-0.0 0, 0.0 0.685 80.8 69.1 -70.9 -20.2 36.0 9.2 22.9 4 528 A L S < S+ 0 0 139 -3,-1.0 -1,-0.2 2,-0.1 0, 0.0 0.923 78.7 84.2 -53.2 -48.9 39.0 9.3 25.3 5 529 A T S S- 0 0 106 -4,-0.2 2,-0.1 -3,-0.2 -1,-0.1 -0.442 86.5-137.8 -63.3 104.3 39.0 5.4 25.1 6 530 A P - 0 0 90 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.395 10.2-145.7 -77.0 137.9 41.1 5.0 22.0 7 531 A T > - 0 0 80 -4,-0.1 4,-1.0 -2,-0.1 5,-0.1 -0.350 33.2-102.7 -82.2 174.9 40.2 2.4 19.3 8 532 A L H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.819 121.9 51.4 -68.5 -31.4 42.9 0.6 17.4 9 533 A V H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.933 104.1 53.4 -76.1 -44.8 42.2 2.8 14.4 10 534 A S H > S+ 0 0 41 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.810 111.0 51.5 -57.4 -26.0 42.5 6.1 16.2 11 535 A L H >X S+ 0 0 61 -4,-1.0 3,-1.2 2,-0.2 4,-0.7 0.971 108.8 47.2 -72.9 -55.3 45.9 4.7 17.3 12 536 A L H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.3 4,-0.5 0.835 107.5 60.9 -50.2 -37.6 46.9 3.9 13.7 13 537 A E H 3< S+ 0 0 78 -4,-2.9 3,-0.5 1,-0.2 -1,-0.3 0.866 105.3 45.4 -57.8 -38.9 45.8 7.4 12.9 14 538 A V H << S+ 0 0 118 -3,-1.2 -1,-0.2 -4,-1.0 -2,-0.2 0.463 109.5 52.9 -94.2 -2.4 48.3 9.1 15.2 15 539 A I S << S+ 0 0 37 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.369 72.8 126.4-109.0 0.9 51.4 7.0 14.3 16 540 A E S S- 0 0 38 -4,-0.5 -3,-0.0 -3,-0.5 34,-0.0 -0.400 71.8-103.2 -59.8 129.4 51.2 7.6 10.5 17 541 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.126 34.8-107.8 -57.8 153.9 54.6 9.0 9.5 18 542 A E - 0 0 166 1,-0.1 31,-0.0 -3,-0.1 2,-0.0 -0.385 46.9 -84.6 -76.6 155.5 55.0 12.7 8.8 19 543 A V - 0 0 46 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.349 46.1-151.0 -62.8 142.0 55.4 13.8 5.1 20 544 A L - 0 0 38 -3,-0.1 2,-0.4 -2,-0.0 -1,-0.0 -0.864 2.9-138.6-119.5 155.2 59.0 13.7 3.8 21 545 A Y - 0 0 124 -2,-0.3 79,-0.0 79,-0.1 -2,-0.0 -0.921 12.4-141.7-122.8 134.5 60.6 15.8 1.2 22 546 A A - 0 0 12 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.736 40.7-127.3 -61.3 -22.4 63.0 14.8 -1.6 23 547 A G + 0 0 62 1,-0.2 2,-0.2 19,-0.0 80,-0.0 0.979 66.0 130.5 63.9 76.1 64.8 18.1 -1.0 24 548 A Y 0 0 38 1,-0.0 -1,-0.2 78,-0.0 -2,-0.1 -0.781 360.0 360.0-171.0 107.4 64.5 18.9 -4.7 25 549 A D 0 0 169 -2,-0.2 3,-0.1 -3,-0.1 -1,-0.0 0.589 360.0 360.0-108.5 360.0 63.4 21.7 -6.9 26 ! 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 27 551 A S 0 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.5 72.3 22.8 -9.7 28 552 A V + 0 0 103 -3,-0.1 0, 0.0 1,-0.1 0, 0.0 0.296 360.0 129.4-176.8 -34.1 68.8 22.3 -11.3 29 553 A P - 0 0 82 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 -0.059 58.6-123.4 -51.5 144.3 69.0 20.2 -14.5 30 554 A D + 0 0 115 4,-0.1 2,-0.2 3,-0.0 3,-0.0 -0.666 45.6 164.6 -98.1 82.5 66.5 17.2 -14.6 31 555 A S > - 0 0 53 -2,-1.2 4,-1.6 1,-0.1 5,-0.2 -0.586 47.2-122.4 -99.5 158.7 68.7 14.2 -15.2 32 556 A T H > S+ 0 0 77 -2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.974 108.1 54.2 -55.2 -58.3 68.0 10.4 -14.8 33 557 A W H > S+ 0 0 133 1,-0.2 4,-2.8 2,-0.2 187,-0.2 0.844 111.9 39.4 -49.6 -52.2 70.9 9.9 -12.4 34 558 A R H > S+ 0 0 112 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.854 115.4 51.3 -73.9 -36.2 69.9 12.5 -9.7 35 559 A I H X S+ 0 0 34 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.939 116.4 41.6 -63.5 -47.4 66.2 11.9 -9.9 36 560 A M H X S+ 0 0 52 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.934 116.2 49.7 -62.1 -47.5 66.8 8.2 -9.4 37 561 A T H X S+ 0 0 12 -4,-2.8 4,-3.0 -5,-0.3 -2,-0.2 0.932 111.9 47.8 -58.1 -49.0 69.4 8.9 -6.8 38 562 A T H X S+ 0 0 19 -4,-3.5 4,-3.1 2,-0.2 5,-0.2 0.946 111.2 50.6 -57.7 -49.2 67.1 11.3 -4.9 39 563 A L H X S+ 0 0 39 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.894 110.8 50.1 -56.1 -41.1 64.3 8.7 -5.1 40 564 A N H X S+ 0 0 21 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.970 113.3 45.0 -57.1 -53.6 66.8 6.1 -3.7 41 565 A M H X S+ 0 0 67 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.846 115.2 48.5 -59.8 -37.4 67.7 8.6 -0.9 42 566 A L H X S+ 0 0 3 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.894 106.8 54.9 -71.4 -42.8 64.0 9.3 -0.3 43 567 A G H X S+ 0 0 8 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.794 104.7 56.9 -59.0 -29.5 63.1 5.7 -0.2 44 568 A G H X S+ 0 0 2 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.967 106.3 46.8 -64.2 -53.0 65.7 5.3 2.5 45 569 A R H X S+ 0 0 91 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.812 113.3 49.9 -58.7 -31.1 64.1 7.8 4.8 46 570 A Q H X S+ 0 0 47 -4,-1.7 4,-4.2 2,-0.3 -1,-0.2 0.880 108.8 49.9 -82.1 -38.6 60.6 6.3 4.2 47 571 A V H X S+ 0 0 6 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.919 113.0 49.0 -56.8 -43.8 61.8 2.9 5.0 48 572 A I H X S+ 0 0 71 -4,-2.7 4,-1.5 2,-0.2 3,-0.3 0.938 113.1 46.6 -62.4 -44.9 63.3 4.5 8.1 49 573 A A H >X S+ 0 0 22 -4,-2.8 4,-2.3 1,-0.2 3,-0.6 0.989 107.3 58.5 -54.3 -57.6 60.0 6.1 8.7 50 574 A A H 3X S+ 0 0 14 -4,-4.2 4,-3.3 1,-0.3 -1,-0.2 0.754 103.0 53.3 -42.8 -38.5 58.2 2.8 8.1 51 575 A V H 3X S+ 0 0 1 -4,-1.7 4,-3.4 -3,-0.3 -1,-0.3 0.953 107.9 46.8 -68.5 -50.9 60.2 1.1 10.9 52 576 A K H << S+ 0 0 67 -4,-1.5 4,-0.3 -3,-0.6 -2,-0.2 0.908 115.6 48.8 -55.8 -43.3 59.3 3.6 13.6 53 577 A W H >X S+ 0 0 9 -4,-2.3 3,-2.5 -5,-0.2 4,-0.9 0.983 111.2 49.2 -56.9 -57.1 55.7 3.3 12.4 54 578 A A H >< S+ 0 0 0 -4,-3.3 3,-2.1 1,-0.3 -2,-0.2 0.924 105.2 57.1 -48.8 -52.6 55.9 -0.5 12.5 55 579 A K T 3< S+ 0 0 45 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.499 106.7 51.7 -64.8 -4.7 57.3 -0.5 16.0 56 580 A A T <4 S+ 0 0 38 -3,-2.5 -1,-0.3 -4,-0.3 -2,-0.2 0.581 80.2 108.1-100.5 -20.4 54.2 1.5 17.1 57 581 A I S X< S- 0 0 4 -3,-2.1 3,-1.6 -4,-0.9 4,-0.5 -0.463 82.1-112.5 -64.7 119.1 51.6 -0.9 15.6 58 582 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.355 103.7 21.5 -57.8 130.2 50.0 -2.8 18.5 59 583 A G T 3> S+ 0 0 20 -4,-0.1 4,-1.0 -3,-0.0 3,-0.2 -0.253 98.6 92.1 100.8 -41.4 51.0 -6.4 18.3 60 584 A F T <4 S+ 0 0 6 -3,-1.6 -5,-0.1 1,-0.2 -3,-0.1 0.714 86.2 54.9 -56.6 -18.9 54.1 -5.7 16.2 61 585 A R T 4 S+ 0 0 105 -4,-0.5 -1,-0.2 1,-0.2 7,-0.1 0.913 97.9 57.9 -80.4 -47.8 56.0 -5.5 19.5 62 586 A N T 4 S+ 0 0 120 -3,-0.2 -2,-0.2 95,-0.1 -1,-0.2 0.706 92.5 90.8 -58.8 -22.5 55.0 -8.9 21.0 63 587 A L S < S- 0 0 9 -4,-1.0 5,-0.1 1,-0.1 -4,-0.0 -0.332 91.8 -86.5 -74.8 160.5 56.6 -10.6 17.9 64 588 A H > - 0 0 86 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.268 30.1-119.8 -69.1 149.2 60.2 -11.7 17.8 65 589 A L H > S+ 0 0 66 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.895 119.4 49.5 -56.2 -42.3 62.9 -9.3 16.7 66 590 A D H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.837 110.1 52.2 -64.1 -33.4 63.7 -11.7 13.8 67 591 A D H > S+ 0 0 3 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.823 108.0 51.4 -71.2 -32.3 60.0 -11.7 13.1 68 592 A Q H X S+ 0 0 4 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.905 110.5 47.6 -69.7 -41.5 60.0 -7.9 13.0 69 593 A M H X S+ 0 0 39 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.921 108.9 53.7 -64.8 -46.8 63.0 -7.7 10.6 70 594 A T H X S+ 0 0 18 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.910 108.0 49.2 -56.3 -46.8 61.5 -10.2 8.2 71 595 A L H X S+ 0 0 1 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.880 112.4 46.7 -65.4 -40.7 58.2 -8.4 7.8 72 596 A L H X S+ 0 0 8 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.956 113.7 48.3 -67.8 -46.3 59.8 -5.0 7.1 73 597 A Q H < S+ 0 0 16 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.725 117.3 44.7 -63.8 -20.9 62.2 -6.6 4.6 74 598 A Y H < S+ 0 0 8 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.804 123.3 31.7 -87.9 -33.4 59.2 -8.4 3.0 75 599 A S H >X S+ 0 0 1 -4,-2.3 4,-2.3 68,-0.2 3,-1.5 0.600 83.0 101.9-105.3 -11.9 56.8 -5.4 2.9 76 600 A W H 3X S+ 0 0 13 -4,-2.3 4,-1.5 1,-0.3 -1,-0.1 0.820 88.6 44.5 -48.2 -43.5 58.9 -2.3 2.5 77 601 A M H 3> S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.782 111.5 54.9 -70.7 -27.9 58.1 -2.0 -1.2 78 602 A Y H <> S+ 0 0 11 -3,-1.5 4,-2.9 2,-0.2 5,-0.3 0.924 106.5 50.3 -68.4 -44.9 54.4 -2.7 -0.6 79 603 A L H X S+ 0 0 12 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.890 115.2 42.8 -61.7 -39.3 54.1 0.1 2.0 80 604 A M H X S+ 0 0 44 -4,-1.5 4,-2.8 -5,-0.3 5,-0.3 0.921 113.5 50.1 -74.7 -46.4 55.7 2.6 -0.5 81 605 A A H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.971 117.6 41.4 -53.7 -55.6 53.8 1.5 -3.5 82 606 A F H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.941 114.9 49.3 -57.4 -54.0 50.5 1.8 -1.5 83 607 A A H X S+ 0 0 20 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.938 111.7 49.5 -54.9 -52.4 51.4 5.1 0.3 84 608 A L H X S+ 0 0 20 -4,-2.8 4,-3.1 2,-0.2 14,-0.3 0.913 111.2 51.7 -46.8 -48.8 52.4 6.7 -3.0 85 609 A G H X S+ 0 0 0 -4,-2.2 4,-3.3 -5,-0.3 -2,-0.2 0.965 109.2 48.0 -57.0 -54.2 49.1 5.5 -4.5 86 610 A W H X S+ 0 0 39 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.862 114.2 46.6 -55.6 -41.3 47.1 6.9 -1.7 87 611 A R H X S+ 0 0 54 -4,-2.6 4,-3.2 2,-0.2 5,-0.5 0.943 113.1 47.5 -69.7 -48.5 48.8 10.3 -1.9 88 612 A S H X S+ 0 0 0 -4,-3.1 4,-1.7 -5,-0.2 6,-0.8 0.906 112.8 52.9 -55.9 -41.8 48.6 10.4 -5.7 89 613 A Y H < S+ 0 0 39 -4,-3.3 -2,-0.2 -5,-0.3 -1,-0.2 0.938 118.5 33.6 -54.3 -52.1 44.9 9.4 -5.1 90 614 A R H < S+ 0 0 64 -4,-2.5 3,-0.2 -5,-0.2 -2,-0.2 0.952 123.2 41.8 -76.4 -51.0 44.2 12.3 -2.7 91 615 A Q H < S+ 0 0 80 -4,-3.2 2,-0.4 1,-0.3 -3,-0.2 0.887 133.5 14.9 -66.2 -42.0 46.5 15.1 -4.0 92 616 A S S >< S- 0 0 25 -4,-1.7 2,-1.7 -5,-0.5 3,-1.0 -0.950 97.4-103.3-139.1 116.7 45.6 14.4 -7.7 93 617 A S T 3 S- 0 0 65 -2,-0.4 -4,-0.2 1,-0.3 -3,-0.1 -0.017 81.1 -61.1 -52.0 76.3 42.6 12.3 -8.5 94 618 A A T 3 S+ 0 0 10 -2,-1.7 -1,-0.3 -6,-0.8 29,-0.2 0.676 121.8 100.8 59.1 23.8 44.6 9.2 -9.4 95 619 A N S < S+ 0 0 116 -3,-1.0 2,-0.2 -7,-0.5 -2,-0.1 0.727 70.2 44.0-111.6 -31.8 46.3 11.1 -12.3 96 620 A L S S- 0 0 56 -4,-0.5 2,-0.9 -8,-0.4 10,-0.2 -0.702 78.7-114.4-115.0 166.9 49.8 12.2 -11.1 97 621 A L E -A 105 0A 2 8,-1.6 8,-2.3 -2,-0.2 2,-1.3 -0.832 31.0-169.0-107.5 95.4 52.6 10.5 -9.2 98 622 A C E +A 104 0A 9 -2,-0.9 -10,-0.2 -14,-0.3 6,-0.2 -0.660 22.4 157.6 -91.8 84.3 52.8 12.3 -5.9 99 623 A F E S- 0 0 41 -2,-1.3 -1,-0.2 4,-1.1 5,-0.2 0.933 75.0 -23.4 -68.7 -50.3 56.1 11.1 -4.3 100 624 A A E > -A 103 0A 3 3,-1.7 3,-2.2 -3,-0.2 -1,-0.3 -0.968 69.5 -96.2-153.3 165.7 56.3 14.2 -2.1 101 625 A P T 3 S+ 0 0 79 0, 0.0 3,-0.2 0, 0.0 -80,-0.1 0.896 127.7 45.7 -50.7 -39.6 55.1 17.8 -2.2 102 626 A D T 3 S+ 0 0 46 1,-0.2 2,-0.2 -3,-0.1 -81,-0.1 0.149 114.2 52.2 -91.3 17.7 58.5 18.8 -3.7 103 627 A L E < +A 100 0A 9 -3,-2.2 -3,-1.7 2,-0.0 -4,-1.1 -0.625 58.3 163.6-156.4 88.3 58.5 15.9 -6.2 104 628 A I E -A 98 0A 78 -6,-0.2 2,-0.7 -2,-0.2 -6,-0.2 -0.934 21.5-159.4-110.7 107.2 55.4 15.5 -8.5 105 629 A I E -A 97 0A 42 -8,-2.3 -8,-1.6 -2,-0.6 -2,-0.0 -0.801 6.2-157.8 -96.1 113.9 56.2 13.3 -11.4 106 630 A N - 0 0 116 -2,-0.7 -10,-0.1 -10,-0.2 9,-0.0 -0.210 54.2 -80.1 -60.5 173.8 54.0 13.4 -14.5 107 631 A E 0 0 138 1,-0.1 8,-0.1 -2,-0.0 -2,-0.0 0.945 360.0 360.0 -48.3 -65.0 54.4 10.2 -16.5 108 632 A Q 0 0 138 2,-0.0 -1,-0.1 7,-0.0 4,-0.0 0.222 360.0 360.0 170.5 360.0 57.8 11.2 -18.2 109 ! 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 0.0 110 638 A G 0 0 95 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-118.1 62.4 5.3 -17.6 111 639 A M > + 0 0 32 3,-0.1 4,-6.5 2,-0.0 5,-0.4 0.082 360.0 133.3-156.3 34.6 59.6 4.0 -15.4 112 640 A Y H > S+ 0 0 68 2,-0.3 4,-3.5 1,-0.2 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-2,-0.4 -182,-0.1 1,-0.0 -181,-0.1 -0.531 23.1-165.0 -75.7 124.3 24.0 1.5 -19.3 480 749 B F - 0 0 37 -2,-0.4 -182,-0.1 -9,-0.1 -186,-0.0 -0.949 20.8-126.3-107.2 126.6 27.5 0.4 -20.1 481 750 B P > - 0 0 30 0, 0.0 4,-3.7 0, 0.0 5,-0.3 -0.249 31.9 -98.9 -67.0 158.7 29.3 -1.6 -17.4 482 751 B E H > S+ 0 0 82 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.869 122.0 49.0 -43.1 -51.3 32.7 -0.5 -16.1 483 752 B M H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.953 117.5 37.9 -56.0 -57.4 34.6 -3.0 -18.4 484 753 B L H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.897 116.3 55.0 -64.0 -41.2 32.8 -2.2 -21.6 485 754 B A H X S+ 0 0 26 -4,-3.7 4,-1.5 1,-0.2 -1,-0.2 0.923 114.6 39.2 -53.6 -48.1 32.7 1.5 -20.6 486 755 B E H X S+ 0 0 30 -4,-3.0 4,-1.2 -5,-0.3 -2,-0.2 0.893 117.7 46.5 -73.2 -43.5 36.5 1.5 -20.2 487 756 B I H >X S+ 0 0 3 -4,-2.9 4,-2.3 -5,-0.2 3,-0.9 0.960 110.8 50.7 -66.9 -54.1 37.5 -0.7 -23.1 488 757 B I H >X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.3 3,-1.0 0.961 107.1 55.2 -46.8 -63.7 35.2 1.0 -25.7 489 758 B T H 3< S+ 0 0 73 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.753 112.4 44.5 -36.7 -39.4 36.7 4.4 -24.7 490 759 B N H 4 S+ 0 0 47 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 0.985 123.1 43.0 -58.9 -55.4 40.8 6.4 -30.8 494 763 B K H 3< S+ 0 0 65 -4,-1.1 -2,-0.2 1,-0.3 -3,-0.1 0.842 104.4 65.1 -60.2 -39.2 43.0 3.3 -31.7 495 764 B Y H 3< S+ 0 0 33 -4,-3.7 -1,-0.3 -5,-0.1 -3,-0.2 0.728 81.2 110.9 -56.5 -25.6 40.2 1.8 -33.9 496 765 B S S 0 0 73 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -24.1 43.8 1.1 -18.4 510 743 E A H > + 0 0 29 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.979 360.0 44.8 -70.6 -65.1 42.4 0.4 -14.9 511 744 E L H > S+ 0 0 3 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.839 119.7 44.1 -52.7 -38.8 39.3 -1.9 -15.2 512 745 E L H >> S+ 0 0 9 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.913 112.9 49.8 -74.7 -45.1 41.2 -4.1 -17.6 513 746 E R H 3X S+ 0 0 10 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.865 106.6 56.9 -59.6 -36.3 44.5 -4.2 -15.7 514 747 E Y H 3X S+ 0 0 34 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.696 109.2 43.7 -79.6 -13.9 42.7 -5.1 -12.4 515 748 E L H << S+ 0 0 18 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.752 112.4 54.5 -90.9 -29.4 41.2 -8.2 -13.9 516 749 E L H < S+ 0 0 6 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.865 110.2 46.1 -67.1 -37.3 44.5 -9.0 -15.5 517 750 E D H < 0 0 16 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.836 360.0 360.0 -71.3 -32.6 46.2 -8.8 -12.1 518 751 E K < 0 0 82 -4,-0.6 -2,-0.2 -5,-0.2 -3,-0.1 0.981 360.0 360.0 -53.6 360.0 43.4 -10.9 -10.5 519 !* 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 0.0 520 525 C L > 0 0 57 0, 0.0 4,-2.6 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0-135.0 33.1 12.6 -29.6 521 526 C P T 4 + 0 0 85 0, 0.0 9,-0.0 0, 0.0 0, 0.0 0.815 360.0 50.8 -65.1 -32.5 35.4 15.6 -29.9 522 527 C Q T 4 S+ 0 0 108 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.944 120.4 33.2 -68.0 -50.2 37.3 14.2 -26.9 523 528 C L T 4 S+ 0 0 27 1,-0.1 -1,-0.1 2,-0.0 7,-0.0 0.983 115.4 56.5 -71.1 -61.5 37.6 10.7 -28.3 524 529 C T < - 0 0 5 -4,-2.6 -1,-0.1 1,-0.2 6,-0.1 -0.637 63.8-175.3 -77.2 114.0 38.0 11.5 -32.0 525 530 C P + 0 0 106 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.994 67.3 37.2 -71.4 -71.2 40.9 13.9 -32.7 526 531 C T S >> S- 0 0 65 1,-0.1 4,-1.2 4,-0.0 3,-0.9 -0.457 85.0-119.6 -79.4 153.2 40.8 14.7 -36.4 527 532 C L H >> S+ 0 0 43 1,-0.2 4,-3.4 2,-0.2 3,-0.8 0.918 112.5 65.2 -54.8 -44.0 37.4 15.1 -38.2 528 533 C V H 3> S+ 0 0 18 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.798 102.7 47.4 -51.9 -33.3 38.3 12.2 -40.4 529 534 C S H <> S+ 0 0 7 -3,-0.9 4,-1.6 2,-0.2 -1,-0.3 0.780 112.3 49.3 -79.6 -29.2 38.2 9.9 -37.4 530 535 C L H < S+ 0 0 17 -4,-1.0 3,-1.2 -5,-0.3 -1,-0.2 0.940 108.0 46.0 -64.7 -50.5 34.6 7.3 -39.5 533 538 C V H 3< S+ 0 0 8 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.749 112.3 50.7 -70.3 -23.9 32.8 6.5 -36.2 534 539 C I T 3< S+ 0 0 18 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.398 77.6 126.5 -93.8 6.2 29.6 8.1 -37.3 535 540 C E < - 0 0 29 -3,-1.2 -3,-0.0 -4,-0.2 -70,-0.0 -0.493 67.3-114.6 -67.2 114.3 29.5 6.1 -40.6 536 541 C P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.131 35.4 -96.7 -47.2 164.0 26.1 4.4 -40.7 537 542 C E - 0 0 35 1,-0.1 2,-0.8 -3,-0.1 31,-0.0 -0.314 36.4 -94.9 -82.8 165.3 25.9 0.6 -40.5 538 543 C V - 0 0 27 -2,-0.1 2,-0.2 -164,-0.0 -1,-0.1 -0.752 47.3-151.4 -75.5 111.4 25.6 -1.9 -43.4 539 544 C L - 0 0 8 -2,-0.8 2,-0.3 79,-0.2 22,-0.0 -0.561 6.2-128.3 -84.8 153.0 21.8 -2.5 -43.6 540 545 C Y - 0 0 22 -2,-0.2 -166,-0.1 79,-0.2 79,-0.1 -0.809 5.1-142.7-102.9 144.6 20.4 -5.8 -44.9 541 546 C A - 0 0 17 -2,-0.3 -1,-0.1 2,-0.1 20,-0.1 0.796 27.7-129.3 -76.6 -31.4 17.7 -5.9 -47.6 542 547 C G + 0 0 46 1,-0.2 2,-0.3 19,-0.0 80,-0.0 0.814 54.7 153.3 78.7 37.5 15.6 -8.8 -46.3 543 548 C Y - 0 0 15 14,-0.0 2,-0.5 11,-0.0 -1,-0.2 -0.730 41.3-135.5-106.0 143.0 15.7 -10.5 -49.7 544 549 C D - 0 0 83 -2,-0.3 3,-0.3 1,-0.1 77,-0.0 -0.859 17.1-179.6 -99.5 126.5 15.4 -14.3 -50.5 545 550 C S S S+ 0 0 73 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.593 71.3 83.8 -90.4 -13.0 17.8 -15.8 -53.1 546 551 C S S S+ 0 0 94 2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.501 92.8 46.8 -76.5 -6.0 16.2 -19.3 -52.8 547 552 C V S S- 0 0 73 -3,-0.3 -3,-0.0 1,-0.0 0, 0.0 -0.951 104.8 -86.5-128.3 156.6 13.5 -18.4 -55.3 548 553 C P - 0 0 110 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 -0.133 44.7-120.2 -70.5 161.8 14.1 -16.7 -58.6 549 554 C D + 0 0 68 -4,-0.1 2,-0.2 1,-0.1 3,-0.1 -0.139 36.5 150.7 -95.7-179.5 14.3 -12.9 -58.9 550 555 C S - 0 0 61 1,-0.1 4,-0.4 78,-0.1 -1,-0.1 -0.860 51.5 -68.2-175.4-146.7 12.3 -10.3 -60.9 551 556 C T S > S+ 0 0 34 -2,-0.2 4,-3.1 2,-0.1 5,-0.3 0.907 115.1 47.5 -99.2 -60.9 11.1 -6.7 -60.9 552 557 C W H > S+ 0 0 163 1,-0.2 4,-4.0 2,-0.2 5,-0.4 0.911 114.3 50.2 -52.5 -46.5 8.6 -6.1 -58.1 553 558 C R H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 115.1 40.3 -60.4 -51.1 10.8 -7.9 -55.6 554 559 C I H > S+ 0 0 22 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.884 122.3 42.6 -63.8 -42.1 13.9 -5.9 -56.4 555 560 C M H X S+ 0 0 52 -4,-3.1 4,-1.5 2,-0.2 -2,-0.2 0.931 116.6 44.8 -76.3 -46.0 12.1 -2.6 -56.7 556 561 C T H X S+ 0 0 5 -4,-4.0 4,-1.3 -5,-0.3 -3,-0.2 0.821 115.5 50.3 -66.3 -31.8 9.7 -3.0 -53.7 557 562 C T H X S+ 0 0 23 -4,-1.8 4,-2.1 -5,-0.4 -2,-0.2 0.907 108.8 49.8 -69.8 -45.1 12.7 -4.3 -51.6 558 563 C L H X S+ 0 0 38 -4,-1.8 4,-3.7 2,-0.2 5,-0.2 0.791 105.7 57.3 -70.1 -29.3 15.0 -1.4 -52.4 559 564 C N H X S+ 0 0 21 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.966 109.7 43.9 -61.6 -53.0 12.3 1.2 -51.6 560 565 C M H X S+ 0 0 84 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.895 117.7 46.7 -58.4 -40.9 12.0 -0.1 -48.1 561 566 C L H X S+ 0 0 4 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.933 111.2 49.7 -67.3 -49.4 15.8 -0.3 -47.9 562 567 C G H X S+ 0 0 10 -4,-3.7 4,-1.5 1,-0.2 -2,-0.2 0.898 108.9 57.3 -53.2 -40.2 16.2 3.2 -49.3 563 568 C G H >X S+ 0 0 2 -4,-2.9 4,-1.6 1,-0.2 3,-0.7 0.957 110.6 39.6 -52.8 -56.4 13.7 4.1 -46.7 564 569 C R H 3X S+ 0 0 87 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.700 111.2 58.9 -72.7 -20.5 15.8 2.8 -43.8 565 570 C Q H 3X S+ 0 0 45 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.727 103.7 51.5 -83.3 -21.5 19.0 4.1 -45.3 566 571 C V H X S+ 0 0 8 -4,-2.0 3,-1.8 2,-0.2 4,-0.6 0.991 112.0 47.2 -61.0 -63.8 24.6 10.5 -39.5 573 578 C A H >< S+ 0 0 0 -4,-3.4 3,-3.3 1,-0.3 7,-0.2 0.919 105.7 60.4 -41.5 -59.9 24.1 14.1 -40.5 574 579 C K H 3< S+ 0 0 58 -4,-2.5 6,-0.3 1,-0.3 -1,-0.3 0.760 103.8 51.7 -36.1 -39.4 22.9 15.0 -37.0 575 580 C A H << S+ 0 0 47 -3,-1.8 -1,-0.3 -4,-0.9 -2,-0.2 0.533 84.3 106.4 -83.2 -9.0 26.3 13.9 -35.6 576 581 C I S XX S- 0 0 4 -3,-3.3 4,-0.9 -4,-0.6 3,-0.7 -0.594 84.5 -99.1 -76.8 129.5 28.3 16.1 -38.0 577 582 C P T 34 S+ 0 0 51 0, 0.0 2,-1.5 0, 0.0 -1,-0.1 -0.093 102.7 3.8 -48.0 137.9 29.9 19.1 -36.3 578 583 C G T >4 S+ 0 0 29 1,-0.1 3,-0.7 -4,-0.1 4,-0.2 -0.187 106.1 94.8 80.2 -45.2 27.9 22.3 -36.8 579 584 C F G X4 S+ 0 0 4 -2,-1.5 3,-1.9 -3,-0.7 -1,-0.1 0.882 84.6 51.3 -45.4 -47.1 25.1 20.6 -38.7 580 585 C R G 3< S+ 0 0 168 -4,-0.9 -1,-0.3 -6,-0.3 7,-0.1 0.906 110.0 51.2 -57.3 -41.3 23.2 20.3 -35.4 581 586 C N G < S+ 0 0 107 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.177 92.0 100.8 -82.9 15.0 23.8 24.0 -34.9 582 587 C L S < S- 0 0 26 -3,-1.9 2,-0.3 -4,-0.2 94,-0.1 -0.271 93.2 -70.4 -84.5-178.5 22.5 24.9 -38.4 583 588 C H > - 0 0 23 1,-0.1 4,-2.0 92,-0.1 3,-0.4 -0.638 40.0-138.8 -75.5 130.4 18.9 26.3 -39.0 584 589 C L H > S+ 0 0 109 -2,-0.3 4,-1.5 1,-0.3 -1,-0.1 0.917 103.8 52.2 -57.4 -49.0 16.4 23.5 -38.4 585 590 C D H > S+ 0 0 103 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.804 110.5 50.6 -55.1 -33.6 14.3 24.5 -41.5 586 591 C D H > S+ 0 0 10 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.890 101.6 60.1 -72.2 -43.1 17.5 24.3 -43.6 587 592 C Q H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.899 103.6 51.6 -52.5 -48.6 18.5 20.8 -42.4 588 593 C M H X S+ 0 0 18 -4,-1.5 4,-3.8 1,-0.2 3,-0.4 0.979 112.4 43.5 -52.6 -63.8 15.3 19.3 -43.7 589 594 C T H X S+ 0 0 24 -4,-1.2 4,-1.8 1,-0.2 5,-0.2 0.800 112.6 55.5 -52.5 -32.2 15.7 20.8 -47.2 590 595 C L H X S+ 0 0 13 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.901 115.0 36.8 -71.1 -41.8 19.5 19.9 -47.1 591 596 C L H X S+ 0 0 7 -4,-2.5 4,-2.4 -3,-0.4 -2,-0.2 0.868 113.9 59.6 -72.1 -39.7 18.6 16.2 -46.4 592 597 C Q H < S+ 0 0 21 -4,-3.8 -2,-0.2 -5,-0.3 -3,-0.2 0.811 117.2 31.1 -57.3 -36.2 15.6 16.6 -48.8 593 598 C Y H >< S+ 0 0 17 -4,-1.8 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