==== 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 HYDROLASE 04-DEC-04 1WUD . COMPND 2 MOLECULE: ATP-DEPENDENT DNA HELICASE RECQ; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.A.BERNSTEIN,J.L.KECK . 229 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 74.7 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 . 0 0.0 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 . 6 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 58.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 4.8 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 2 3 0 0 0 0 3 0 0 0 0 0 0 0 3 1 2 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 1 530 A N 0 0 187 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.3 38.7 -23.2 28.6 2 531 A Y - 0 0 62 38,-0.0 2,-0.7 1,-0.0 37,-0.2 -0.688 360.0 -99.4-107.8 157.5 36.2 -21.0 26.7 3 532 A D > - 0 0 62 35,-1.6 4,-2.2 -2,-0.2 5,-0.1 -0.692 31.9-164.7 -74.3 112.3 36.4 -19.3 23.3 4 533 A R H > S+ 0 0 150 -2,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.813 86.8 56.4 -73.7 -31.8 37.4 -15.7 24.2 5 534 A K H > S+ 0 0 136 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.897 110.9 44.3 -63.2 -42.4 36.4 -14.4 20.8 6 535 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.887 110.0 55.2 -70.3 -40.1 32.9 -15.8 21.2 7 536 A F H X S+ 0 0 33 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.910 107.8 49.4 -58.3 -44.6 32.6 -14.5 24.8 8 537 A A H X S+ 0 0 43 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.847 111.2 49.8 -63.7 -35.2 33.4 -11.0 23.6 9 538 A K H X S+ 0 0 60 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.909 110.9 49.0 -66.7 -43.2 30.8 -11.3 20.9 10 539 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.838 109.0 54.1 -65.7 -35.2 28.2 -12.6 23.4 11 540 A R H X S+ 0 0 129 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.910 109.9 46.1 -62.4 -46.0 29.1 -9.6 25.6 12 541 A K H X S+ 0 0 155 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.870 112.9 49.9 -66.5 -40.0 28.4 -7.1 22.8 13 542 A L H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.943 111.0 49.4 -63.3 -47.1 25.1 -8.8 21.9 14 543 A R H X S+ 0 0 10 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.899 109.9 50.9 -58.3 -44.6 24.0 -8.8 25.5 15 544 A K H X S+ 0 0 107 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.930 110.8 50.3 -58.0 -45.4 24.9 -5.1 25.8 16 545 A S H X S+ 0 0 7 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.908 114.8 41.4 -58.8 -47.9 22.9 -4.4 22.7 17 546 A I H X S+ 0 0 12 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.875 116.2 49.7 -71.4 -38.9 19.7 -6.2 23.8 18 547 A A H X>S+ 0 0 0 -4,-2.8 5,-1.9 -5,-0.2 4,-0.8 0.922 111.8 47.7 -65.3 -46.2 20.0 -4.9 27.4 19 548 A D H ><5S+ 0 0 82 -4,-2.9 3,-0.6 -5,-0.2 -2,-0.2 0.903 111.0 52.8 -59.4 -44.0 20.4 -1.3 26.2 20 549 A E H 3<5S+ 0 0 105 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.906 116.7 37.6 -55.5 -46.0 17.4 -1.8 23.8 21 550 A S H 3<5S- 0 0 55 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.466 108.1-123.7 -87.5 -3.9 15.2 -3.1 26.7 22 551 A N T <<5 + 0 0 147 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.956 67.2 125.8 49.9 58.0 16.5 -0.6 29.3 23 552 A V S > - 0 0 56 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.401 44.6-113.0 -58.1 140.2 20.9 -4.2 33.5 25 554 A P H >> S+ 0 0 58 0, 0.0 3,-1.8 0, 0.0 4,-1.3 0.850 114.9 60.2 -46.0 -43.2 23.0 -6.6 31.4 26 555 A Y H 34 S+ 0 0 156 1,-0.3 4,-0.2 2,-0.2 -12,-0.0 0.777 90.5 69.3 -59.5 -29.7 22.6 -9.4 33.9 27 556 A V H <4 S+ 0 0 52 -3,-1.6 -1,-0.3 2,-0.2 3,-0.1 0.797 106.4 40.9 -60.0 -28.6 18.8 -9.3 33.5 28 557 A V H << S- 0 0 0 -3,-1.8 2,-0.3 -4,-0.6 -2,-0.2 0.949 144.2 -35.0 -75.0 -73.9 19.5 -10.7 30.0 29 558 A F < - 0 0 2 -4,-1.3 -1,-0.3 25,-0.0 -2,-0.2 -0.972 64.3-123.3-146.9 139.2 22.2 -13.2 31.0 30 559 A N > - 0 0 75 -2,-0.3 4,-1.9 -4,-0.2 3,-0.3 -0.233 34.7-100.4 -74.4 170.6 24.9 -12.8 33.7 31 560 A D H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.862 120.8 55.1 -61.0 -39.4 28.6 -13.1 33.0 32 561 A A H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.848 107.5 50.1 -65.6 -35.0 28.9 -16.7 34.3 33 562 A T H > S+ 0 0 4 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.936 110.0 49.8 -66.6 -47.8 26.1 -17.8 31.9 34 563 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.878 109.9 51.4 -55.8 -43.1 27.8 -16.2 28.9 35 564 A I H X S+ 0 0 49 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.929 108.8 50.4 -63.6 -44.5 31.1 -17.9 29.8 36 565 A E H X S+ 0 0 49 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.890 110.0 51.5 -58.8 -39.0 29.3 -21.2 30.0 37 566 A X H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.893 108.8 49.9 -64.3 -41.1 27.8 -20.4 26.6 38 567 A A H < S+ 0 0 2 -4,-2.4 -35,-1.6 1,-0.2 -1,-0.2 0.731 116.5 44.0 -68.8 -22.4 31.3 -19.7 25.3 39 568 A E H < S+ 0 0 88 -4,-1.4 -2,-0.2 -37,-0.2 -1,-0.2 0.869 126.6 27.5 -83.8 -45.9 32.4 -23.0 26.8 40 569 A Q H < S- 0 0 129 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.691 86.7-149.3 -94.0 -22.4 29.5 -25.2 25.6 41 570 A X < - 0 0 71 -4,-2.6 -3,-0.1 -5,-0.3 -4,-0.1 0.942 18.0-152.5 47.6 62.7 28.5 -23.3 22.5 42 571 A P + 0 0 2 0, 0.0 28,-0.1 0, 0.0 29,-0.1 -0.400 25.2 171.6 -68.5 139.3 24.8 -24.2 22.7 43 572 A I + 0 0 56 -2,-0.1 2,-0.3 27,-0.1 28,-0.1 0.481 57.2 49.5-129.0 -15.0 23.1 -24.3 19.3 44 573 A T S > S- 0 0 63 1,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.832 87.1-104.9-124.4 166.4 19.6 -25.7 20.1 45 574 A A H > S+ 0 0 47 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.921 120.5 51.3 -52.1 -49.5 16.8 -25.1 22.6 46 575 A S H > S+ 0 0 90 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.900 110.8 47.4 -57.2 -46.7 17.7 -28.2 24.5 47 576 A E H >4 S+ 0 0 89 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.880 110.3 52.2 -64.8 -39.9 21.4 -27.2 24.8 48 577 A X H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.902 105.8 54.8 -61.9 -41.2 20.5 -23.7 25.9 49 578 A L H 3< S+ 0 0 74 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.675 98.4 64.1 -67.1 -18.7 18.3 -25.1 28.6 50 579 A S T << S+ 0 0 97 -4,-0.7 2,-0.4 -3,-0.6 -1,-0.3 0.621 85.8 95.1 -76.8 -12.9 21.3 -27.1 29.9 51 580 A V S X S- 0 0 5 -3,-1.6 3,-1.8 -4,-0.3 -18,-0.1 -0.672 86.2-110.6 -87.7 128.9 23.1 -23.8 30.7 52 581 A N T 3 S+ 0 0 130 -2,-0.4 -16,-0.1 1,-0.3 3,-0.1 -0.291 103.7 24.2 -52.2 132.3 22.9 -22.4 34.2 53 582 A G T 3 S+ 0 0 38 1,-0.1 2,-0.5 -4,-0.1 -1,-0.3 0.486 99.2 105.7 86.6 4.5 20.8 -19.2 34.4 54 583 A V < + 0 0 11 -3,-1.8 2,-0.2 -5,-0.2 -1,-0.1 -0.944 39.7 159.5-120.2 107.6 18.8 -20.1 31.2 55 584 A G > - 0 0 37 -2,-0.5 4,-2.0 -3,-0.1 5,-0.2 -0.507 58.8 -82.3-108.5-172.7 15.2 -21.3 31.7 56 585 A X H > S+ 0 0 140 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.842 125.2 55.5 -62.8 -35.6 12.3 -21.4 29.3 57 586 A R H > S+ 0 0 168 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.948 111.1 42.1 -62.4 -52.0 11.4 -17.7 29.9 58 587 A K H >>S+ 0 0 60 2,-0.2 4,-3.2 1,-0.2 5,-0.6 0.839 113.0 54.9 -65.8 -33.9 14.9 -16.4 29.0 59 588 A L H X>S+ 0 0 29 -4,-2.0 4,-1.6 3,-0.2 5,-0.5 0.936 110.9 45.1 -62.5 -47.8 15.1 -18.8 26.0 60 589 A E H <5S+ 0 0 156 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.933 122.1 37.6 -57.5 -48.5 11.8 -17.5 24.7 61 590 A R H <5S+ 0 0 151 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.890 139.4 6.0 -75.5 -43.5 12.8 -13.8 25.2 62 591 A F H X5S+ 0 0 22 -4,-3.2 4,-1.2 -5,-0.2 -3,-0.2 0.422 100.4 96.3-124.2 -3.8 16.5 -13.9 24.3 63 592 A G H X S+ 0 0 8 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.883 115.4 48.0 -60.0 -39.1 19.7 -14.1 18.8 66 595 A F H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.936 113.0 47.7 -67.8 -45.6 22.2 -15.8 21.1 67 596 A X H X S+ 0 0 25 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.898 110.9 52.0 -57.7 -44.5 21.8 -19.2 19.3 68 597 A A H X S+ 0 0 2 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.894 111.5 47.6 -57.8 -42.4 22.1 -17.4 15.9 69 598 A L H X S+ 0 0 7 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.923 114.2 45.0 -66.6 -45.6 25.4 -15.8 17.1 70 599 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.938 112.6 51.4 -64.9 -46.5 26.8 -19.0 18.5 71 600 A R H X S+ 0 0 82 -4,-2.9 4,-1.0 1,-0.2 6,-0.2 0.871 111.6 47.7 -56.5 -41.5 25.8 -21.1 15.4 72 601 A A H <>S+ 0 0 5 -4,-1.9 5,-2.9 -5,-0.2 4,-0.3 0.859 111.9 50.5 -69.4 -36.5 27.5 -18.5 13.1 73 602 A H H ><5S+ 0 0 22 -4,-1.9 3,-1.5 3,-0.2 -2,-0.2 0.942 108.2 50.0 -66.7 -48.8 30.6 -18.5 15.2 74 603 A V H 3<5S+ 0 0 56 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.741 113.6 47.4 -64.2 -24.8 31.1 -22.3 15.3 75 604 A D T 3<5S- 0 0 102 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.485 113.4-120.0 -90.9 -5.5 30.6 -22.4 11.5 76 605 A G T < 5 0 0 52 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.698 360.0 360.0 71.9 21.4 33.1 -19.5 11.1 77 606 A D < 0 0 40 -5,-2.9 -4,-0.2 -6,-0.2 -5,-0.1 0.587 360.0 360.0 -87.7 360.0 30.4 -17.5 9.4 78 !* 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 79 531 B Y 0 0 102 0, 0.0 2,-0.7 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0 156.3 10.2 0.8 -7.1 80 532 B D > - 0 0 57 35,-1.5 4,-2.1 1,-0.2 5,-0.1 -0.675 360.0-164.9 -75.5 113.5 12.0 0.3 -10.5 81 533 B R H > S+ 0 0 128 -2,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.821 86.4 51.5 -73.1 -34.9 14.8 -2.2 -9.8 82 534 B K H > S+ 0 0 165 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.825 111.6 48.4 -72.7 -32.7 16.7 -1.6 -13.0 83 535 B L H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.915 108.2 54.0 -69.6 -44.0 16.7 2.1 -12.3 84 536 B F H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.910 108.8 50.0 -57.1 -43.3 17.9 1.5 -8.7 85 537 B A H X S+ 0 0 26 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.923 111.4 47.7 -57.8 -48.7 20.8 -0.5 -10.2 86 538 B K H X S+ 0 0 94 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.901 110.6 52.3 -60.4 -43.3 21.6 2.4 -12.6 87 539 B L H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.869 108.0 51.9 -60.7 -38.7 21.4 4.9 -9.7 88 540 B R H X S+ 0 0 56 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.888 108.9 50.5 -64.4 -40.4 23.8 2.8 -7.7 89 541 B K H X S+ 0 0 164 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.909 111.4 46.8 -64.4 -45.8 26.3 2.7 -10.6 90 542 B L H X S+ 0 0 36 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.924 112.6 50.9 -62.2 -43.8 26.2 6.5 -11.0 91 543 B R H X S+ 0 0 18 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.912 109.7 50.0 -58.3 -45.0 26.6 7.0 -7.3 92 544 B K H X S+ 0 0 122 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.907 110.1 50.8 -61.1 -43.1 29.6 4.7 -7.2 93 545 B S H X S+ 0 0 75 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.918 113.5 43.5 -64.0 -44.7 31.3 6.5 -10.1 94 546 B I H X S+ 0 0 22 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.924 117.2 46.9 -65.2 -44.1 30.8 10.0 -8.4 95 547 B A H X>S+ 0 0 0 -4,-2.8 5,-2.2 2,-0.2 4,-1.2 0.896 111.4 50.6 -65.3 -43.8 31.9 8.6 -5.0 96 548 B D H <5S+ 0 0 100 -4,-3.1 3,-0.4 1,-0.2 -1,-0.2 0.915 112.3 46.8 -61.5 -44.1 35.0 6.8 -6.4 97 549 B E H <5S+ 0 0 168 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.848 116.8 44.7 -64.2 -35.0 36.1 10.0 -8.3 98 550 B S H <5S- 0 0 61 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.574 108.0-125.8 -86.7 -11.3 35.5 12.0 -5.1 99 551 B N T <5 + 0 0 151 -4,-1.2 -3,-0.2 -3,-0.4 -4,-0.1 0.891 68.4 122.6 64.0 43.4 37.3 9.4 -2.8 100 552 B V S - 0 0 66 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.480 44.8-113.1 -61.9 142.3 32.0 6.2 0.6 102 554 B P G >> S+ 0 0 52 0, 0.0 3,-1.7 0, 0.0 4,-1.2 0.831 112.6 63.6 -47.6 -41.1 29.0 6.0 -1.7 103 555 B Y G 34 S+ 0 0 39 1,-0.3 64,-0.0 2,-0.2 -12,-0.0 0.771 90.2 67.9 -60.6 -26.6 26.4 7.0 1.1 104 556 B V G <4 S+ 0 0 46 -3,-1.6 -1,-0.3 1,-0.1 3,-0.2 0.783 102.7 45.4 -65.6 -29.5 28.1 10.5 1.4 105 557 B V T <4 S- 0 0 0 -3,-1.7 2,-0.3 -4,-0.5 -2,-0.2 0.975 143.1 -27.2 -70.2 -71.1 26.8 11.3 -2.1 106 558 B F S < S- 0 0 2 -4,-1.2 -1,-0.3 25,-0.0 -2,-0.1 -0.979 71.5-119.6-141.5 139.5 23.3 10.0 -1.4 107 559 B N > - 0 0 34 -2,-0.3 4,-1.9 -3,-0.2 3,-0.2 -0.203 32.9-102.4 -70.8 167.5 22.3 7.3 1.0 108 560 B D H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.895 121.0 54.9 -57.5 -42.5 20.6 4.0 -0.0 109 561 B A H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.867 106.2 52.2 -63.0 -37.8 17.2 5.2 1.1 110 562 B T H > S+ 0 0 3 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 108.9 49.3 -62.3 -46.2 17.5 8.3 -1.0 111 563 B L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.890 109.2 53.4 -59.6 -42.0 18.3 6.3 -4.1 112 564 B I H X S+ 0 0 2 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.895 108.1 49.5 -60.8 -41.5 15.3 4.0 -3.4 113 565 B E H X S+ 0 0 50 -4,-2.0 4,-3.3 2,-0.2 5,-0.4 0.899 109.9 51.4 -64.8 -39.7 13.0 7.0 -3.2 114 566 B X H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.906 110.6 48.6 -60.2 -42.1 14.5 8.3 -6.5 115 567 B A H < S+ 0 0 2 -4,-2.4 -35,-1.5 2,-0.2 -1,-0.2 0.771 116.2 45.8 -67.2 -26.7 13.7 4.8 -8.0 116 568 B E H < S+ 0 0 58 -4,-1.4 -2,-0.2 -37,-0.2 -1,-0.2 0.940 126.6 23.7 -78.8 -53.2 10.2 5.1 -6.5 117 569 B Q H < S- 0 0 131 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.619 87.4-146.3 -95.9 -17.0 9.2 8.6 -7.5 118 570 B X < - 0 0 71 -4,-2.2 2,-0.2 -5,-0.4 -3,-0.1 0.927 19.2-154.3 47.7 60.9 11.5 9.0 -10.5 119 571 B P + 0 0 3 0, 0.0 -1,-0.2 0, 0.0 28,-0.2 -0.439 26.6 167.0 -69.1 130.5 12.1 12.8 -10.1 120 572 B I + 0 0 59 -2,-0.2 28,-0.1 27,-0.1 2,-0.1 0.762 56.1 62.5-112.2 -42.2 13.0 14.7 -13.2 121 573 B T S > S- 0 0 67 1,-0.1 4,-2.6 23,-0.0 5,-0.2 -0.400 87.9-112.6 -82.9 162.7 12.7 18.4 -12.4 122 574 B A H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.890 120.0 51.0 -58.5 -41.9 14.7 20.2 -9.7 123 575 B S H > S+ 0 0 84 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.869 110.4 48.3 -65.3 -38.6 11.5 20.6 -7.6 124 576 B E H 4 S+ 0 0 91 2,-0.2 3,-0.4 1,-0.2 4,-0.4 0.902 112.1 49.7 -68.5 -40.2 10.8 16.9 -7.9 125 577 B X H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.905 107.3 54.2 -63.0 -43.2 14.4 16.1 -6.9 126 578 B L H 3< S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.3 5,-0.2 0.700 98.5 64.7 -65.7 -20.5 14.2 18.5 -3.9 127 579 B S T 3< S+ 0 0 88 -4,-0.8 2,-0.3 -3,-0.4 -1,-0.3 0.669 82.9 97.1 -73.7 -18.4 11.1 16.6 -2.7 128 580 B V S X S- 0 0 4 -3,-1.4 3,-1.8 -4,-0.4 -18,-0.1 -0.580 88.9-106.3 -76.0 129.4 13.2 13.5 -2.2 129 581 B N T 3 S+ 0 0 126 -2,-0.3 -16,-0.1 1,-0.3 -1,-0.1 -0.290 105.0 22.2 -55.4 131.3 14.4 13.0 1.4 130 582 B G T 3 S+ 0 0 39 1,-0.1 2,-0.6 -4,-0.1 -1,-0.3 0.534 94.2 112.5 86.2 6.9 18.1 13.8 1.8 131 583 B V < + 0 0 9 -3,-1.8 -1,-0.1 -5,-0.2 2,-0.1 -0.882 39.0 166.0-113.5 97.5 18.3 16.0 -1.3 132 584 B G > - 0 0 33 -2,-0.6 4,-2.0 -3,-0.1 5,-0.1 -0.367 53.6 -93.3 -93.5-176.5 18.9 19.7 -0.4 133 585 B X H > S+ 0 0 141 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.850 122.8 57.1 -67.3 -35.0 20.0 22.5 -2.6 134 586 B R H > S+ 0 0 195 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.952 111.3 41.3 -60.8 -51.0 23.7 22.0 -1.9 135 587 B K H >>S+ 0 0 54 2,-0.2 4,-4.1 1,-0.2 5,-0.8 0.873 112.3 56.8 -64.0 -38.4 23.6 18.4 -3.1 136 588 B L H X>S+ 0 0 27 -4,-2.0 4,-1.7 3,-0.2 5,-0.5 0.932 108.7 45.1 -58.3 -50.3 21.4 19.3 -6.0 137 589 B E H <5S+ 0 0 164 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.916 122.6 38.9 -58.7 -42.1 23.9 21.9 -7.3 138 590 B R H <5S+ 0 0 175 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.919 139.4 4.8 -77.3 -48.7 26.8 19.4 -6.7 139 591 B F H X5S+ 0 0 13 -4,-4.1 4,-1.1 -5,-0.1 -3,-0.2 0.472 102.5 97.2-116.8 -7.5 25.3 16.0 -7.8 140 592 B G H X S+ 0 0 60 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.871 114.1 46.5 -59.0 -39.6 23.8 13.7 -13.6 143 595 B F H X S+ 0 0 0 -4,-1.1 4,-2.5 -3,-0.3 -2,-0.2 0.892 112.7 49.0 -71.1 -40.1 21.1 12.0 -11.6 144 596 B X H X S+ 0 0 36 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.914 112.2 48.8 -63.4 -44.2 18.3 13.9 -13.3 145 597 B A H X S+ 0 0 59 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.912 111.9 49.6 -61.0 -45.7 19.7 13.1 -16.7 146 598 B L H X S+ 0 0 37 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.936 112.5 45.8 -57.9 -51.1 20.0 9.4 -15.8 147 599 B I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.932 114.3 48.9 -61.8 -45.3 16.4 9.2 -14.4 148 600 B R H X S+ 0 0 139 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.914 110.1 50.1 -60.6 -46.3 15.0 11.0 -17.5 149 601 B A H X>S+ 0 0 32 -4,-2.6 5,-2.7 1,-0.2 4,-1.4 0.842 112.0 50.4 -62.6 -33.5 16.9 8.8 -20.0 150 602 B H H <5S+ 0 0 36 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.931 110.8 46.1 -67.4 -48.1 15.6 5.7 -18.2 151 603 B V H <5S+ 0 0 53 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.791 118.2 43.4 -68.6 -26.4 11.9 6.8 -18.2 152 604 B D H <5S- 0 0 91 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.697 113.2-114.1 -92.7 -23.0 12.1 7.8 -21.9 153 605 B G T <5 0 0 67 -4,-1.4 -3,-0.2 -5,-0.2 -4,-0.1 0.777 360.0 360.0 94.6 33.3 14.1 4.8 -23.1 154 606 B D < 0 0 144 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.641 360.0 360.0 -83.5 360.0 17.3 6.4 -24.2 155 !* 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 0.0 156 531 D Y 0 0 91 0, 0.0 2,-0.6 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0 140.9 24.5 -19.1 4.8 157 532 D D > - 0 0 44 35,-1.2 4,-1.4 1,-0.2 38,-0.1 -0.938 360.0-179.4-114.8 112.4 25.9 -16.3 2.6 158 533 D R H > S+ 0 0 141 -2,-0.6 4,-2.3 2,-0.2 5,-0.2 0.868 84.7 55.0 -75.8 -39.3 29.1 -14.7 3.9 159 534 D K H > S+ 0 0 157 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 109.5 47.6 -60.7 -44.0 29.3 -12.3 1.0 160 535 D L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.887 108.8 55.0 -63.1 -39.7 25.8 -11.0 1.8 161 536 D F H X S+ 0 0 32 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.911 108.0 48.5 -61.1 -42.4 26.7 -10.8 5.5 162 537 D A H X S+ 0 0 56 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.896 111.7 50.2 -62.4 -41.7 29.7 -8.5 4.6 163 538 D K H X S+ 0 0 94 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.895 109.8 50.6 -63.6 -41.4 27.4 -6.4 2.5 164 539 D L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.901 109.0 51.1 -61.7 -43.4 24.9 -6.1 5.3 165 540 D R H X S+ 0 0 123 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.894 110.1 50.3 -61.0 -42.7 27.6 -5.0 7.8 166 541 D K H X S+ 0 0 155 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.886 110.8 48.5 -62.7 -43.1 28.7 -2.3 5.3 167 542 D L H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.924 111.5 49.6 -63.6 -44.6 25.2 -1.0 4.9 168 543 D R H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.889 110.3 51.1 -61.2 -39.7 24.7 -0.9 8.6 169 544 D K H X S+ 0 0 119 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.918 109.8 50.1 -62.7 -45.4 28.0 1.0 9.0 170 545 D S H X S+ 0 0 22 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.912 114.1 43.7 -57.2 -49.1 26.9 3.5 6.4 171 546 D I H X S+ 0 0 21 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.928 116.2 47.5 -64.7 -43.9 23.6 4.2 8.0 172 547 D A H X>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 4,-0.7 0.870 112.8 47.9 -67.0 -42.0 25.1 4.3 11.5 173 548 D D H <5S+ 0 0 67 -4,-2.8 3,-0.4 3,-0.2 -1,-0.2 0.935 114.7 45.5 -63.0 -49.0 27.9 6.7 10.5 174 549 D E H <5S+ 0 0 82 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.889 118.2 43.2 -60.9 -41.6 25.5 9.0 8.7 175 550 D S H <5S- 0 0 62 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.552 108.8-128.9 -80.3 -10.9 23.1 8.9 11.6 176 551 D N T <5 + 0 0 147 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.921 65.5 122.3 60.7 47.0 26.0 9.3 14.1 177 552 D V S > - 0 0 56 0, 0.0 3,-1.5 0, 0.0 4,-0.6 -0.400 42.9-115.9 -57.3 142.0 26.9 3.1 17.2 179 554 D P H >> S+ 0 0 53 0, 0.0 3,-1.5 0, 0.0 4,-1.4 0.851 113.1 61.3 -50.8 -41.5 26.2 0.4 14.6 180 555 D Y H 34 S+ 0 0 83 1,-0.3 4,-0.0 2,-0.2 -12,-0.0 0.756 91.7 67.3 -61.0 -25.5 24.4 -1.9 17.1 181 556 D V H <4 S+ 0 0 59 -3,-1.5 -1,-0.3 1,-0.1 3,-0.1 0.841 105.5 43.3 -62.9 -32.8 21.8 0.9 17.6 182 557 D V H << S- 0 0 0 -3,-1.5 2,-0.3 -4,-0.6 -2,-0.2 0.987 140.2 -29.5 -71.7 -68.9 20.7 0.2 13.9 183 558 D F < - 0 0 2 -4,-1.4 -1,-0.3 25,-0.0 -2,-0.1 -0.980 62.8-124.1-145.0 148.6 20.8 -3.6 14.2 184 559 D N > - 0 0 11 -2,-0.3 4,-1.5 -3,-0.1 3,-0.4 -0.361 36.7-100.0 -82.0 171.1 22.9 -6.0 16.3 185 560 D D H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.836 119.1 58.0 -62.5 -34.8 25.1 -8.8 14.8 186 561 D A H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.858 104.8 51.6 -66.5 -35.8 22.5 -11.6 15.4 187 562 D T H > S+ 0 0 2 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.903 111.2 47.9 -62.0 -44.2 19.9 -9.7 13.4 188 563 D L H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.903 109.7 52.8 -64.7 -41.8 22.3 -9.4 10.5 189 564 D I H X S+ 0 0 6 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.924 110.0 47.7 -60.3 -46.7 23.3 -13.1 10.7 190 565 D E H >X S+ 0 0 14 -4,-2.1 4,-3.8 2,-0.2 3,-0.5 0.901 110.9 52.1 -61.0 -42.7 19.6 -14.1 10.5 191 566 D X H 3X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.923 108.8 49.9 -56.1 -46.6 19.2 -11.8 7.5 192 567 D A H 3< S+ 0 0 1 -4,-2.7 -35,-1.2 2,-0.2 -1,-0.2 0.662 119.0 41.1 -67.6 -16.7 22.2 -13.4 5.8 193 568 D E H << S+ 0 0 73 -4,-0.9 -2,-0.2 -3,-0.5 -3,-0.2 0.895 124.2 31.0 -92.2 -57.3 20.5 -16.8 6.6 194 569 D Q H < S- 0 0 100 -4,-3.8 -3,-0.2 -5,-0.1 -2,-0.2 0.703 88.3-149.8 -77.2 -21.5 16.8 -16.2 5.8 195 570 D X < - 0 0 47 -4,-2.2 2,-0.1 -5,-0.5 -3,-0.1 0.920 17.0-153.1 45.9 59.3 17.5 -13.6 3.1 196 571 D P + 0 0 0 0, 0.0 29,-0.2 0, 0.0 28,-0.2 -0.373 29.1 166.6 -67.2 131.4 14.3 -11.6 3.7 197 572 D I + 0 0 40 -2,-0.1 2,-0.3 27,-0.1 28,-0.1 0.488 59.5 57.5-122.0 -13.9 13.0 -9.7 0.6 198 573 D T S > S- 0 0 55 1,-0.1 4,-1.9 0, 0.0 5,-0.1 -0.780 86.9-111.8-116.2 163.8 9.5 -8.8 1.7 199 574 D A H > S+ 0 0 46 -2,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.917 118.6 49.5 -57.0 -47.2 8.1 -6.8 4.7 200 575 D S H > S+ 0 0 89 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.909 110.2 50.0 -60.5 -45.6 6.6 -10.0 6.3 201 576 D E H >4 S+ 0 0 88 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.851 111.0 50.9 -60.0 -36.6 9.9 -12.0 5.8 202 577 D X H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.847 103.1 58.7 -70.2 -35.5 11.7 -9.1 7.5 203 578 D L H 3< S+ 0 0 64 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.605 98.4 59.1 -73.5 -13.8 9.4 -9.0 10.5 204 579 D S T << S+ 0 0 63 -4,-0.7 2,-0.3 -3,-0.5 -1,-0.2 0.610 84.3 97.9 -87.9 -15.1 10.1 -12.6 11.4 205 580 D V S X S- 0 0 2 -3,-1.0 3,-1.6 -4,-0.4 -18,-0.1 -0.590 87.3-110.1 -70.6 129.2 13.8 -11.7 11.8 206 581 D N T 3 S+ 0 0 65 -2,-0.3 -16,-0.1 1,-0.2 3,-0.1 -0.357 102.4 26.9 -64.1 140.1 14.7 -11.2 15.5 207 582 D G T 3 S+ 0 0 24 1,-0.1 2,-0.9 -4,-0.1 -1,-0.2 0.159 95.5 110.0 92.1 -16.4 15.5 -7.6 16.4 208 583 D V < + 0 0 9 -3,-1.6 2,-0.2 -6,-0.2 -1,-0.1 -0.808 40.2 161.3 -97.6 100.0 13.3 -6.3 13.5 209 584 D G > - 0 0 36 -2,-0.9 4,-2.0 -3,-0.1 5,-0.1 -0.445 58.1 -90.0 -99.3-176.6 10.1 -4.7 14.8 210 585 D X H > S+ 0 0 144 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.810 126.1 56.4 -64.4 -31.8 7.8 -2.3 13.0 211 586 D R H > S+ 0 0 201 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.940 111.5 40.4 -64.4 -50.5 9.9 0.7 14.3 212 587 D K H >>S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 5,-0.6 0.822 112.1 58.2 -68.2 -32.9 13.1 -0.6 12.8 213 588 D L H X5S+ 0 0 22 -4,-2.0 4,-1.2 3,-0.2 5,-0.4 0.890 108.6 44.3 -65.4 -40.8 11.3 -1.7 9.6 214 589 D E H <5S+ 0 0 179 -4,-1.8 4,-0.2 2,-0.2 -2,-0.2 0.923 121.0 38.5 -69.0 -45.8 10.0 1.8 8.9 215 590 D R H <5S+ 0 0 157 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.891 139.3 7.2 -73.0 -41.1 13.3 3.6 9.6 216 591 D F H X5S+ 0 0 17 -4,-2.6 4,-1.3 -5,-0.2 -3,-0.2 0.475 99.3 97.2-122.0 -9.8 15.8 1.0 8.1 217 592 D G H X S+ 0 0 111 -5,-0.4 4,-2.9 -4,-0.2 5,-0.2 0.931 107.7 47.4 -62.4 -52.6 13.9 -0.5 2.7 219 594 D P H > S+ 0 0 9 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.884 116.5 46.1 -55.5 -40.4 17.7 -0.1 2.2 220 595 D F H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.927 113.4 46.7 -72.4 -45.4 18.2 -3.5 3.8 221 596 D X H X S+ 0 0 36 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.902 113.3 50.6 -59.7 -42.5 15.5 -5.3 1.8 222 597 D A H X S+ 0 0 1 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.896 109.1 51.4 -63.7 -41.5 16.8 -3.6 -1.4 223 598 D L H X S+ 0 0 27 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.903 113.0 44.5 -60.5 -45.7 20.4 -4.8 -0.6 224 599 D I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.948 113.3 50.3 -66.3 -49.6 19.3 -8.4 -0.1 225 600 D R H X S+ 0 0 71 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.907 112.0 47.9 -51.8 -48.8 17.0 -8.4 -3.2 226 601 D A H X>S+ 0 0 15 -4,-2.4 5,-3.0 1,-0.2 4,-0.6 0.873 111.9 49.8 -63.7 -40.0 19.9 -7.0 -5.4 227 602 D H H ><5S+ 0 0 37 -4,-1.9 3,-0.5 4,-0.2 -2,-0.2 0.914 113.8 44.2 -63.5 -46.3 22.4 -9.6 -4.0 228 603 D V H 3<5S+ 0 0 72 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.867 111.2 53.6 -68.5 -37.4 20.0 -12.6 -4.6 229 604 D D H 3<5S- 0 0 80 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.609 117.8-113.9 -74.3 -11.5 19.0 -11.3 -8.1 230 605 D G T <<5 0 0 67 -4,-0.6 -3,-0.2 -3,-0.5 -2,-0.1 0.778 360.0 360.0 83.7 29.1 22.7 -11.1 -9.0 231 606 D D < 0 0 118 -5,-3.0 -4,-0.2 -6,-0.2 -5,-0.1 0.446 360.0 360.0 -96.8 360.0 23.0 -7.3 -9.4