==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN/TOXIN INHIBITOR 27-MAY-04 1TFK . COMPND 2 MOLECULE: COLICIN D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.YAJIMA,K.NAKANISHI,K.TAKAHASHI,T.OGAWA,Y.KEZUKA,M.HIDAKA, . 180 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 8 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 0 0 0 0 0 1 1 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 1 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 1 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 1 604 A Q 0 0 96 0, 0.0 4,-0.5 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -27.5 46.3 39.1 31.8 2 605 A L + 0 0 40 1,-0.2 3,-0.4 2,-0.2 4,-0.2 0.845 360.0 53.9 -70.8 -35.2 49.8 40.6 31.5 3 606 A D S > S+ 0 0 89 1,-0.2 3,-1.3 2,-0.2 4,-0.2 0.918 106.3 49.9 -66.6 -45.3 50.8 39.4 35.0 4 607 A K T 3 S+ 0 0 67 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.589 113.5 47.4 -72.6 -8.6 49.9 35.8 34.5 5 608 A K T > S+ 0 0 8 -4,-0.5 3,-2.5 -3,-0.4 4,-0.3 0.315 75.8 103.9-111.9 6.2 51.8 35.7 31.2 6 609 A Y G X + 0 0 19 -3,-1.3 3,-1.7 1,-0.3 4,-0.5 0.740 65.7 78.5 -59.3 -20.9 55.0 37.3 32.5 7 610 A K G 3 S+ 0 0 36 1,-0.3 -1,-0.3 -4,-0.2 3,-0.3 0.762 95.1 47.7 -58.4 -22.9 56.4 33.8 32.5 8 611 A H G X S+ 0 0 1 -3,-2.5 3,-2.5 1,-0.2 4,-0.5 0.503 82.2 97.3 -95.4 -6.9 56.8 34.4 28.7 9 612 A A G X >S+ 0 0 1 -3,-1.7 3,-2.6 -4,-0.3 5,-1.1 0.865 72.8 66.9 -50.2 -40.7 58.4 37.8 29.0 10 613 A G G > 5S+ 0 0 21 -4,-0.5 3,-0.7 1,-0.3 -1,-0.3 0.705 92.8 60.1 -55.7 -21.2 61.8 36.3 28.7 11 614 A D G < 5S+ 0 0 10 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.667 100.6 57.8 -79.2 -17.0 60.9 35.4 25.1 12 615 A F G < 5S- 0 0 24 -3,-2.6 -1,-0.2 -4,-0.5 -2,-0.2 -0.162 128.7 -89.5-105.8 37.2 60.5 39.1 24.4 13 616 A G T < 5S+ 0 0 80 -3,-0.7 2,-0.5 1,-0.1 -3,-0.2 0.713 92.7 118.9 66.8 23.5 63.9 40.2 25.4 14 617 A I < + 0 0 16 -5,-1.1 -2,-0.2 1,-0.1 -1,-0.1 -0.899 30.7 172.8-125.5 102.6 63.2 40.8 29.1 15 618 A S + 0 0 105 -2,-0.5 2,-0.3 -5,-0.1 -1,-0.1 0.406 32.0 132.8 -87.4 0.4 65.3 38.6 31.4 16 619 A D - 0 0 65 1,-0.2 -6,-0.1 7,-0.1 -7,-0.1 -0.380 40.5-164.5 -57.7 114.0 64.1 40.3 34.6 17 620 A T + 0 0 137 -2,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.678 66.1 90.0 -74.4 -17.6 63.2 37.4 36.9 18 621 A K - 0 0 148 1,-0.0 2,-0.8 -3,-0.0 5,-0.0 -0.648 68.2-150.8 -83.8 133.9 61.4 39.8 39.1 19 622 A K + 0 0 93 -2,-0.3 2,-0.2 4,-0.1 -2,-0.1 -0.813 42.5 132.7-107.7 91.9 57.7 40.4 38.4 20 623 A N S > S- 0 0 59 -2,-0.8 4,-2.9 1,-0.0 5,-0.3 -0.798 73.9 -85.6-131.3 173.6 56.9 44.0 39.5 21 624 A R H > S+ 0 0 225 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.839 128.0 50.9 -47.1 -38.2 55.2 47.1 38.2 22 625 A E H > S+ 0 0 120 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.937 113.0 41.1 -68.0 -50.9 58.4 48.0 36.5 23 626 A T H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.813 112.1 57.1 -70.1 -30.4 59.1 44.7 34.7 24 627 A L H X S+ 0 0 35 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.957 106.4 47.7 -65.2 -49.5 55.4 44.3 33.8 25 628 A T H X S+ 0 0 49 -4,-1.8 4,-2.8 -5,-0.3 -1,-0.2 0.866 109.1 55.5 -59.0 -35.0 55.3 47.6 31.9 26 629 A K H X S+ 0 0 95 -4,-1.4 4,-2.1 2,-0.2 -1,-0.3 0.903 109.6 46.3 -62.4 -40.5 58.5 46.5 30.2 27 630 A F H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.912 110.7 52.9 -67.0 -42.9 56.7 43.4 29.1 28 631 A R H X S+ 0 0 97 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.912 111.5 45.4 -59.4 -43.3 53.7 45.5 28.0 29 632 A D H X S+ 0 0 67 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.874 109.1 56.5 -68.6 -35.5 56.0 47.7 25.9 30 633 A A H X S+ 0 0 17 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.872 108.9 46.8 -62.8 -37.2 57.7 44.6 24.5 31 634 A I H X S+ 0 0 12 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.887 111.7 50.2 -71.9 -39.9 54.4 43.3 23.3 32 635 A E H X S+ 0 0 92 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.904 109.8 50.8 -64.3 -42.0 53.4 46.7 21.8 33 636 A E H X S+ 0 0 147 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.805 109.6 51.7 -65.9 -30.5 56.8 46.9 20.0 34 637 A H H >< S+ 0 0 12 -4,-1.2 3,-0.6 -5,-0.2 -2,-0.2 0.961 112.5 43.8 -69.0 -52.9 56.2 43.4 18.6 35 638 A L H 3< S+ 0 0 66 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.813 116.4 47.9 -61.8 -33.0 52.7 44.2 17.2 36 639 A S H 3< S+ 0 0 102 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.619 83.9 114.5 -85.0 -14.7 53.9 47.5 15.8 37 640 A D X< - 0 0 56 -4,-0.9 3,-1.9 -3,-0.6 -3,-0.0 -0.328 69.8-133.6 -59.8 133.9 57.0 46.1 14.1 38 641 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.1 -2,-0.0 -4,-0.0 0.846 106.2 54.4 -57.8 -34.5 56.8 46.3 10.3 39 642 A D T 3 S+ 0 0 66 2,-0.0 2,-0.6 18,-0.0 -1,-0.3 0.431 86.6 97.2 -82.8 2.7 58.0 42.7 10.0 40 643 A T < + 0 0 15 -3,-1.9 2,-0.3 17,-0.2 17,-0.2 -0.826 53.1 168.4 -94.3 123.9 55.2 41.4 12.3 41 644 A V E -A 56 0A 81 15,-2.4 15,-2.6 -2,-0.6 2,-0.1 -0.910 41.1 -87.3-133.9 160.4 52.2 40.1 10.3 42 645 A E E +A 55 0A 110 -2,-0.3 13,-0.3 13,-0.2 2,-0.2 -0.436 49.0 166.5 -66.9 136.2 49.1 38.1 10.9 43 646 A K - 0 0 57 11,-3.1 49,-0.1 1,-0.3 -2,-0.0 -0.742 45.4 -44.2-157.3 103.5 49.6 34.4 10.7 44 647 A G - 0 0 30 -2,-0.2 10,-1.9 47,-0.1 -1,-0.3 -0.162 61.8 -96.2 77.2-166.3 47.2 31.7 11.9 45 648 A T B -d 93 0B 18 47,-1.8 49,-2.4 8,-0.2 2,-1.0 -0.936 20.1-112.6-150.3 165.8 45.1 31.4 15.0 46 649 A Y > - 0 0 5 3,-0.4 3,-1.7 -2,-0.3 6,-0.4 -0.838 37.0-157.1-104.3 86.9 45.2 29.7 18.4 47 650 A R T 3 S+ 0 0 155 -2,-1.0 -1,-0.2 1,-0.3 5,-0.2 0.796 84.6 59.5 -31.1 -61.1 42.3 27.3 17.7 48 651 A R T 3 S+ 0 0 113 1,-0.3 2,-1.9 -3,-0.1 -1,-0.3 0.850 101.5 56.7 -41.9 -45.2 41.2 26.7 21.3 49 652 A E S X S- 0 0 29 -3,-1.7 3,-2.6 111,-0.1 -3,-0.4 -0.596 102.9-145.8 -89.0 70.7 40.6 30.4 21.6 50 653 A K T 3 S+ 0 0 190 -2,-1.9 18,-0.2 1,-0.3 -3,-0.1 -0.180 77.7 19.2 -45.5 111.8 38.2 30.1 18.6 51 654 A G T 3 S+ 0 0 34 1,-0.3 -1,-0.3 16,-0.1 -4,-0.1 0.296 90.5 138.4 107.7 -7.3 38.4 33.3 16.6 52 655 A S < - 0 0 3 -3,-2.6 2,-0.4 -6,-0.4 -1,-0.3 -0.279 41.6-145.6 -68.4 156.1 41.8 34.5 17.9 53 656 A K E - B 0 66A 92 13,-2.7 13,-2.6 -8,-0.2 2,-0.4 -0.988 7.4-151.7-125.9 134.3 44.4 36.0 15.6 54 657 A V E - B 0 65A 0 -10,-1.9 -11,-3.1 -2,-0.4 2,-0.5 -0.839 2.2-150.7-108.6 144.7 48.1 35.5 16.0 55 658 A Y E -AB 42 64A 63 9,-2.2 9,-1.1 -2,-0.4 2,-0.3 -0.968 17.9-163.8-117.8 116.5 50.8 38.0 14.9 56 659 A F E -AB 41 63A 15 -15,-2.6 -15,-2.4 -2,-0.5 7,-0.2 -0.739 15.9-159.5-105.1 145.0 54.1 36.5 14.0 57 660 A N > - 0 0 2 5,-1.8 4,-2.2 -2,-0.3 5,-0.5 -0.967 6.7-159.8-122.9 110.3 57.6 38.0 13.5 58 661 A P T 4 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 0.616 88.7 56.7 -65.2 -12.2 59.9 35.7 11.4 59 662 A N T 4 S+ 0 0 108 -20,-0.1 -19,-0.0 3,-0.1 -2,-0.0 0.954 121.4 21.8 -82.6 -59.7 63.0 37.5 12.8 60 663 A T T 4 S- 0 0 60 2,-0.1 3,-0.1 1,-0.0 -1,-0.1 0.652 98.6-134.6 -81.2 -17.2 62.5 37.0 16.6 61 664 A M < + 0 0 38 -4,-2.2 17,-3.6 1,-0.2 2,-0.2 0.649 55.3 144.9 69.9 17.8 60.2 34.0 15.9 62 665 A N E - C 0 77A 6 -5,-0.5 -5,-1.8 15,-0.3 2,-0.3 -0.597 33.2-162.9 -89.4 149.3 57.7 35.4 18.4 63 666 A V E -BC 56 76A 0 13,-2.5 13,-1.4 -2,-0.2 2,-0.4 -0.928 2.9-162.1-125.3 150.1 53.9 35.1 18.2 64 667 A V E -BC 55 75A 0 -9,-1.1 -9,-2.2 -2,-0.3 2,-0.5 -0.997 14.1-142.9-133.7 128.9 51.4 37.1 20.2 65 668 A I E -BC 54 74A 0 9,-3.3 8,-2.9 -2,-0.4 9,-0.9 -0.818 13.9-168.9 -98.0 130.9 47.8 35.9 20.4 66 669 A I E -BC 53 72A 24 -13,-2.6 -13,-2.7 -2,-0.5 6,-0.2 -0.957 19.4-127.0-119.3 135.0 44.9 38.3 20.3 67 670 A K > - 0 0 61 4,-3.1 3,-2.5 -2,-0.4 -16,-0.1 -0.262 33.2 -99.6 -73.7 166.7 41.3 37.3 21.1 68 671 A S T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -18,-0.2 -17,-0.1 0.812 126.5 55.4 -55.5 -32.0 38.4 38.0 18.8 69 672 A N T 3 S- 0 0 93 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.383 122.9-107.5 -83.3 3.5 37.6 41.0 20.9 70 673 A G S < S+ 0 0 52 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.482 72.6 139.7 86.6 1.0 41.1 42.4 20.5 71 674 A E - 0 0 122 1,-0.1 -4,-3.1 -5,-0.1 -1,-0.3 -0.577 60.3-105.2 -82.6 144.7 42.4 41.6 24.0 72 675 A F E +C 66 0A 42 -2,-0.2 -6,-0.2 -6,-0.2 3,-0.1 -0.480 40.0 173.1 -66.1 127.6 45.9 40.3 24.5 73 676 A L E - 0 0 11 -8,-2.9 2,-0.3 1,-0.4 -1,-0.2 0.849 51.4 -59.3-101.3 -58.7 45.8 36.6 25.4 74 677 A S E -C 65 0A 0 -9,-0.9 -9,-3.3 2,-0.0 -1,-0.4 -0.938 43.8-159.3-169.5-172.6 49.4 35.4 25.4 75 678 A G E +C 64 0A 1 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.929 12.3 160.9-179.0 156.3 52.6 35.0 23.4 76 679 A W E -C 63 0A 6 -13,-1.4 -13,-2.5 -2,-0.3 2,-0.4 -0.967 44.0 -72.1-170.8 176.1 55.9 33.2 23.2 77 680 A K E -C 62 0A 40 -2,-0.3 -15,-0.3 -15,-0.2 2,-0.3 -0.727 42.0-130.1 -91.1 131.8 58.7 32.2 20.9 78 681 A I - 0 0 4 -17,-3.6 3,-0.1 -2,-0.4 -1,-0.0 -0.555 10.8-146.2 -77.7 136.4 58.2 29.6 18.2 79 682 A N > - 0 0 7 -2,-0.3 3,-1.6 1,-0.1 6,-0.4 -0.875 6.7-165.0-105.6 104.1 60.7 26.7 17.9 80 683 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.700 86.0 60.0 -59.6 -20.6 61.0 25.8 14.2 81 684 A D T 3 S+ 0 0 119 4,-0.1 2,-0.2 -3,-0.1 58,-0.1 0.639 92.0 79.6 -84.6 -14.5 62.7 22.5 15.1 82 685 A A S <> S- 0 0 0 -3,-1.6 4,-2.9 1,-0.1 5,-0.2 -0.635 86.5-120.3 -93.2 151.6 59.8 21.2 17.2 83 686 A D H > S+ 0 0 69 -2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.928 113.3 52.9 -55.3 -48.2 56.7 19.6 15.6 84 687 A N H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 113.1 44.9 -54.1 -45.9 54.4 22.2 17.1 85 688 A G H > S+ 0 0 3 -6,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.940 114.1 47.3 -64.5 -47.8 56.5 25.0 15.7 86 689 A R H X S+ 0 0 100 -4,-2.9 4,-2.5 -7,-0.3 5,-0.2 0.918 111.6 52.2 -60.1 -43.8 56.9 23.4 12.3 87 690 A I H X>S+ 0 0 69 -4,-3.3 4,-2.8 -5,-0.2 6,-0.6 0.905 110.2 48.4 -59.5 -42.7 53.1 22.7 12.2 88 691 A Y H X5S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.911 111.1 49.9 -64.3 -43.4 52.4 26.3 13.0 89 692 A L H <5S+ 0 0 54 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.914 118.2 38.8 -61.6 -43.6 54.8 27.6 10.3 90 693 A E H <5S+ 0 0 138 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.848 135.1 16.4 -77.3 -37.1 53.3 25.3 7.6 91 694 A T H <5S- 0 0 86 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.596 90.6-122.6-114.5 -15.9 49.6 25.5 8.5 92 695 A G << + 0 0 5 -4,-2.3 -47,-1.8 -5,-0.5 2,-0.7 0.462 65.9 136.4 85.4 -0.6 49.1 28.5 10.8 93 696 A E B d 45 0B 69 -6,-0.6 -1,-0.3 -49,-0.2 -2,-0.2 -0.749 360.0 360.0 -86.9 115.2 47.6 26.3 13.5 94 697 A L 0 0 41 -49,-2.4 -48,-0.2 -2,-0.7 -1,-0.2 0.812 360.0 360.0 -97.9 360.0 49.1 27.3 16.9 95 !* 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 96 3 B K 0 0 136 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-155.8 69.0 17.7 28.8 97 4 B M > + 0 0 62 1,-0.2 4,-3.3 2,-0.1 5,-0.3 0.156 360.0 117.4-103.5 15.7 66.1 16.1 30.7 98 5 B A H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 77.8 44.4 -51.2 -47.1 65.4 19.3 32.8 99 6 B M H > S+ 0 0 12 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 115.4 48.8 -67.7 -38.7 61.9 19.7 31.4 100 7 B I H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.918 111.4 49.1 -66.1 -44.5 61.1 16.0 31.8 101 8 B D H X S+ 0 0 60 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.873 109.2 52.8 -63.9 -36.9 62.4 16.0 35.4 102 9 B L H X S+ 0 0 15 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.924 108.0 51.8 -64.3 -40.9 60.4 19.1 36.2 103 10 B A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.927 110.8 47.7 -60.2 -43.8 57.3 17.2 34.9 104 11 B K H X S+ 0 0 83 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.875 108.2 54.2 -65.6 -37.7 58.1 14.2 37.2 105 12 B L H <>S+ 0 0 71 -4,-2.5 5,-2.6 1,-0.2 6,-0.8 0.892 110.8 47.7 -62.6 -38.7 58.6 16.5 40.1 106 13 B F H ><5S+ 0 0 3 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.892 108.9 51.6 -69.6 -42.0 55.1 17.9 39.5 107 14 B L H 3<5S+ 0 0 28 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.810 108.4 53.1 -65.4 -28.1 53.5 14.5 39.1 108 15 B A T 3<5S- 0 0 55 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.441 114.2-123.7 -84.9 0.0 55.1 13.6 42.4 109 16 B S T < 5S+ 0 0 82 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.745 75.6 128.3 62.7 25.4 53.5 16.7 43.8 110 17 B K S - 0 0 73 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.196 28.1-106.0 -78.3 173.2 52.7 22.9 42.5 113 20 B A H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.915 123.2 49.1 -64.0 -43.5 50.9 23.4 39.2 114 21 B I H > S+ 0 0 79 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.935 112.0 48.1 -62.3 -45.7 51.7 27.1 39.4 115 22 B E H > S+ 0 0 75 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.914 114.3 46.8 -60.8 -44.5 55.4 26.4 40.1 116 23 B F H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.934 109.4 52.9 -63.8 -47.1 55.5 23.9 37.3 117 24 B S H < S+ 0 0 6 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.812 116.0 41.5 -60.4 -29.1 53.8 26.2 34.8 118 25 B E H >X S+ 0 0 93 -4,-1.7 4,-1.2 -5,-0.2 3,-0.8 0.925 116.1 44.9 -85.4 -46.8 56.4 28.9 35.6 119 26 B R H 3X S+ 0 0 96 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.829 103.5 64.9 -66.6 -31.5 59.6 26.9 35.7 120 27 B I H 3X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.825 101.8 51.7 -61.2 -27.8 58.7 25.0 32.6 121 28 B C H <> S+ 0 0 3 -3,-0.8 4,-1.9 -4,-0.4 -1,-0.2 0.891 109.0 48.9 -74.5 -39.6 59.0 28.3 30.8 122 29 B V H X S+ 0 0 68 -4,-1.2 4,-1.5 1,-0.2 -2,-0.2 0.930 115.1 44.5 -64.4 -45.8 62.4 29.0 32.3 123 30 B E H X S+ 0 0 32 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.897 109.7 54.4 -67.4 -41.4 63.6 25.5 31.3 124 31 B R H X S+ 0 0 8 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.931 109.0 49.1 -57.7 -45.6 62.1 25.6 27.8 125 32 B R H < S+ 0 0 77 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.841 108.3 54.4 -62.8 -35.0 64.0 28.8 27.1 126 33 B R H < S+ 0 0 158 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.905 113.9 39.9 -66.3 -42.3 67.2 27.4 28.3 127 34 B L H >< S+ 0 0 17 -4,-2.1 3,-1.1 2,-0.1 2,-0.3 0.535 86.5 120.7 -85.1 -7.8 67.0 24.4 26.0 128 35 B Y T 3< S- 0 0 63 -4,-1.0 3,-0.1 1,-0.3 -3,-0.0 -0.418 90.2 -0.9 -62.2 118.5 65.7 26.4 23.0 129 36 B G T 3 S+ 0 0 52 -2,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.152 88.5 149.5 88.9 -20.8 68.1 26.1 20.2 130 37 B V < - 0 0 69 -3,-1.1 -1,-0.3 -4,-0.1 3,-0.1 -0.291 45.5-129.9 -52.1 111.4 70.5 23.9 22.1 131 38 B K S S+ 0 0 163 -2,-0.2 -1,-0.1 1,-0.2 0, 0.0 0.118 81.2 37.7 -56.3 174.8 72.0 21.7 19.4 132 39 B D S S+ 0 0 144 1,-0.2 2,-0.5 0, 0.0 -1,-0.2 0.887 79.7 158.6 42.5 56.2 72.2 17.9 19.5 133 40 B L - 0 0 41 -3,-0.1 -1,-0.2 -4,-0.1 -4,-0.0 -0.927 47.3-112.3-114.1 129.3 68.8 17.5 21.1 134 41 B S > - 0 0 54 -2,-0.5 4,-3.0 1,-0.2 3,-0.4 -0.352 19.8-141.3 -57.6 121.8 66.7 14.3 21.0 135 42 B P H > S+ 0 0 92 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.872 103.1 54.1 -52.5 -39.7 63.6 14.9 18.9 136 43 B N H > S+ 0 0 64 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.896 112.6 42.9 -63.0 -41.1 61.6 12.8 21.3 137 44 B I H > S+ 0 0 36 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.903 114.5 49.7 -72.0 -43.2 62.8 14.9 24.2 138 45 B L H X S+ 0 0 25 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.952 113.9 44.6 -60.7 -51.7 62.3 18.2 22.4 139 46 B N H X S+ 0 0 15 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.860 110.9 54.0 -63.7 -35.6 58.8 17.4 21.3 140 47 B C H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.956 109.0 49.5 -63.1 -47.4 57.8 16.1 24.7 141 48 B G H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.913 108.0 53.6 -56.0 -45.7 59.0 19.3 26.3 142 49 B E H X S+ 0 0 9 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.870 109.1 48.0 -58.8 -40.0 57.0 21.4 23.8 143 50 B E H X S+ 0 0 43 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.854 110.7 51.4 -71.0 -32.5 53.8 19.5 24.6 144 51 B L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.919 109.2 52.2 -66.5 -42.0 54.5 20.0 28.3 145 52 B F H X S+ 0 0 4 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.910 111.9 44.5 -59.0 -45.2 54.9 23.7 27.6 146 53 B M H X S+ 0 0 17 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.849 110.2 54.9 -71.3 -32.3 51.6 23.9 25.8 147 54 B A H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 4,-0.5 0.925 109.2 48.2 -65.0 -43.1 49.8 21.8 28.5 148 55 B A H >< S+ 0 0 1 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.848 103.4 61.7 -64.9 -34.4 51.1 24.3 31.1 149 56 B E H 3< S+ 0 0 9 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.817 102.5 52.4 -62.2 -28.2 49.9 27.2 28.9 150 57 B R T << S+ 0 0 26 -4,-1.0 12,-2.6 -3,-0.6 2,-0.3 0.594 86.1 107.2 -83.3 -11.5 46.3 25.8 29.2 151 58 B F B < +e 162 0C 10 -3,-1.2 12,-0.2 -4,-0.5 13,-0.1 -0.530 39.2 167.6 -73.3 128.3 46.6 25.7 33.1 152 59 B E - 0 0 11 10,-2.7 5,-0.2 -2,-0.3 12,-0.1 -0.904 23.1-162.2-143.1 109.9 44.5 28.4 34.8 153 60 B P + 0 0 63 0, 0.0 11,-0.1 0, 0.0 -1,-0.1 0.753 62.4 100.4 -64.3 -24.4 43.9 28.1 38.6 154 61 B D S > S- 0 0 78 1,-0.1 3,-1.5 2,-0.1 -2,-0.1 -0.348 76.2-130.4 -69.1 143.1 40.9 30.5 38.6 155 62 B A T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.1 8,-0.0 0.675 105.7 61.1 -63.9 -19.0 37.4 29.2 38.7 156 63 B D T 3 S+ 0 0 133 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.101 76.6 144.8 -96.7 22.8 36.4 31.3 35.7 157 64 B R < - 0 0 79 -3,-1.5 6,-0.1 -5,-0.2 -6,-0.0 -0.168 56.4 -92.6 -59.3 155.1 38.9 29.7 33.4 158 65 B A > - 0 0 33 1,-0.1 3,-1.1 4,-0.1 -1,-0.1 -0.138 36.0-103.8 -65.2 164.5 38.0 29.3 29.7 159 66 B N T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -111,-0.1 -2,-0.1 0.748 123.2 46.8 -62.3 -26.4 36.4 26.1 28.4 160 67 B Y T 3 S+ 0 0 29 -112,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.529 97.4 91.5 -94.0 -6.4 39.7 25.0 26.9 161 68 B E < - 0 0 30 -3,-1.1 2,-0.3 -113,-0.1 -10,-0.2 -0.452 65.2-143.6 -85.6 162.4 41.7 25.8 30.0 162 69 B I B -e 151 0C 24 -12,-2.6 -10,-2.7 -15,-0.2 4,-0.1 -0.901 2.0-133.2-128.9 155.9 42.4 23.2 32.8 163 70 B D > - 0 0 56 -2,-0.3 4,-1.5 2,-0.3 5,-0.2 -0.227 49.3 -76.0 -92.9-174.3 42.7 23.2 36.6 164 71 B D H > S+ 0 0 74 2,-0.2 4,-2.1 3,-0.1 3,-0.5 0.928 126.2 53.5 -46.6 -60.1 45.4 21.6 38.8 165 72 B N H 4 S+ 0 0 109 1,-0.2 2,-1.0 2,-0.2 -2,-0.3 -0.454 110.0 41.1 -67.6 156.1 44.0 18.1 38.3 166 73 B G H > S+ 0 0 17 1,-0.2 4,-2.7 -4,-0.1 -1,-0.2 -0.275 108.5 60.4 95.1 -57.2 43.9 17.8 34.5 167 74 B L H X S+ 0 0 0 -4,-1.5 4,-3.0 -2,-1.0 5,-0.3 0.936 107.7 48.9 -68.5 -41.5 47.2 19.5 34.2 168 75 B K H X S+ 0 0 52 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.910 113.8 44.2 -59.7 -43.6 48.4 16.5 36.2 169 76 B V H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.893 115.4 47.5 -71.2 -38.1 46.6 14.1 34.0 170 77 B E H X S+ 0 0 52 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.911 110.9 51.0 -69.1 -41.6 47.8 15.8 30.8 171 78 B V H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.930 113.2 45.6 -61.2 -43.9 51.4 16.0 31.9 172 79 B R H X S+ 0 0 125 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.924 112.4 51.4 -65.3 -42.2 51.3 12.3 32.8 173 80 B S H X S+ 0 0 70 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.898 109.9 50.4 -60.2 -41.0 49.6 11.5 29.5 174 81 B I H X S+ 0 0 11 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.913 109.6 48.7 -65.5 -44.2 52.3 13.5 27.7 175 82 B L H <>S+ 0 0 3 -4,-2.4 5,-3.0 1,-0.2 4,-0.2 0.898 113.4 48.7 -63.2 -37.4 55.2 11.7 29.4 176 83 B E H ><5S+ 0 0 94 -4,-2.3 3,-1.2 3,-0.2 -2,-0.2 0.903 104.9 58.5 -68.2 -40.3 53.6 8.4 28.6 177 84 B K H 3<5S+ 0 0 130 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.898 114.4 36.7 -55.6 -43.6 53.1 9.4 24.9 178 85 B F T 3<5S- 0 0 22 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.387 111.8-121.7 -91.4 5.2 56.8 9.9 24.5 179 86 B K T < 5S+ 0 0 176 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.917 71.3 131.9 55.8 47.5 57.6 7.0 26.7 180 87 B L < 0 0 26 -5,-3.0 -4,-0.2 -6,-0.1 -1,-0.1 -0.308 360.0 360.0-122.6 47.1 59.6 9.2 29.1 181 88 B H 0 0 143 -6,-0.2 -77,-0.1 -5,-0.1 -9,-0.0 0.137 360.0 360.0 -60.3 360.0 58.1 8.0 32.4