==== 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 1TFO . COMPND 2 MOLECULE: COLICIN D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.YAJIMA,K.NAKANISHI,K.TAKAHASHI,T.OGAWA,Y.KEZUKA,M.HIDAKA, . 189 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 9 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 1 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 0 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 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 1 595 A L 0 0 26 0, 0.0 2,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -61.3 47.3 47.7 32.3 2 596 A D + 0 0 84 3,-0.1 2,-0.3 5,-0.0 5,-0.2 -0.400 360.0 115.7 -63.9 81.1 43.7 46.8 31.8 3 597 A S S S- 0 0 79 -2,-2.1 2,-0.4 4,-0.1 3,-0.3 -0.897 71.7 -11.2-154.7 118.7 43.0 49.1 28.9 4 598 A G S S- 0 0 77 -2,-0.3 -2,-0.0 1,-0.2 76,-0.0 -0.773 131.7 -10.4 96.1-137.5 42.1 48.1 25.3 5 599 A R S S+ 0 0 101 -2,-0.4 76,-3.6 75,-0.1 2,-0.3 0.408 126.9 80.6 -78.9 3.9 42.4 44.5 24.2 6 600 A F - 0 0 11 -3,-0.3 2,-0.3 -5,-0.2 3,-0.1 -0.717 54.9-173.7-112.7 161.4 44.2 44.0 27.5 7 601 A S > - 0 0 34 -2,-0.3 4,-1.7 -5,-0.2 5,-0.1 -0.953 32.7-125.1-144.6 154.4 43.3 43.5 31.2 8 602 A R H > S+ 0 0 104 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.906 109.9 54.5 -70.2 -38.8 45.5 43.3 34.2 9 603 A K H > S+ 0 0 141 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.967 110.1 42.5 -58.0 -59.5 44.0 40.0 35.2 10 604 A Q H > S+ 0 0 33 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.922 114.3 52.2 -55.7 -46.9 44.7 38.2 31.9 11 605 A L H X S+ 0 0 0 -4,-1.7 4,-0.7 1,-0.2 3,-0.5 0.894 109.0 51.8 -56.3 -41.3 48.2 39.7 31.6 12 606 A D H >< S+ 0 0 62 -4,-2.3 3,-1.0 1,-0.2 4,-0.3 0.945 109.5 46.8 -61.7 -50.4 48.9 38.5 35.1 13 607 A K H 3< S+ 0 0 50 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.620 118.6 43.3 -70.4 -10.0 47.9 34.9 34.5 14 608 A K H >< S+ 0 0 6 -4,-1.0 3,-2.9 -3,-0.5 4,-0.3 0.408 77.4 102.8-114.5 0.6 49.9 34.9 31.2 15 609 A Y G X< + 0 0 20 -3,-1.0 3,-2.1 -4,-0.7 4,-0.5 0.767 65.5 80.3 -54.6 -25.0 53.0 36.6 32.4 16 610 A K G 3 S+ 0 0 31 -4,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.669 93.7 49.8 -55.8 -15.8 54.5 33.1 32.5 17 611 A H G X S+ 0 0 0 -3,-2.9 3,-2.4 1,-0.1 4,-0.3 0.552 80.8 94.1-100.2 -11.6 54.9 33.7 28.7 18 612 A A G X >S+ 0 0 0 -3,-2.1 3,-2.5 -4,-0.3 5,-1.6 0.820 73.8 68.6 -51.3 -35.1 56.6 37.1 28.9 19 613 A G G > 5S+ 0 0 24 -4,-0.5 3,-0.8 1,-0.3 -1,-0.3 0.769 92.9 59.4 -57.5 -24.1 60.0 35.5 28.7 20 614 A D G < 5S+ 0 0 11 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.594 101.5 56.5 -78.9 -11.3 59.2 34.5 25.1 21 615 A F G < 5S- 0 0 22 -3,-2.5 -1,-0.2 -4,-0.3 -2,-0.2 -0.138 128.1 -90.2-112.8 36.8 58.8 38.2 24.3 22 616 A G T < 5S+ 0 0 74 -3,-0.8 2,-0.7 1,-0.1 -3,-0.2 0.596 92.3 120.8 69.9 12.4 62.2 39.4 25.4 23 617 A I < + 0 0 5 -5,-1.6 -2,-0.2 1,-0.1 -1,-0.1 -0.864 26.6 166.7-114.1 100.1 61.2 40.1 29.0 24 618 A S + 0 0 104 -2,-0.7 2,-0.3 -5,-0.1 -1,-0.1 0.483 27.7 133.7 -87.7 -6.1 63.3 38.0 31.4 25 619 A D - 0 0 55 1,-0.2 -7,-0.1 -7,-0.1 -6,-0.1 -0.288 44.1-158.4 -52.0 108.9 62.3 39.9 34.5 26 620 A T + 0 0 134 -2,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.601 65.6 90.6 -67.2 -12.4 61.5 37.1 36.9 27 621 A K - 0 0 126 1,-0.0 2,-0.6 2,-0.0 -2,-0.0 -0.641 66.7-148.6 -89.3 144.8 59.4 39.4 39.1 28 622 A K + 0 0 97 -2,-0.3 2,-0.3 4,-0.1 -2,-0.1 -0.884 43.4 125.2-116.2 99.6 55.7 39.8 38.5 29 623 A N S >> S- 0 0 63 -2,-0.6 4,-2.8 1,-0.0 3,-0.9 -0.864 75.8 -81.1-142.9 174.7 54.5 43.3 39.4 30 624 A R H 3> S+ 0 0 133 -2,-0.3 4,-1.2 1,-0.3 5,-0.1 0.838 127.5 51.5 -49.4 -38.6 52.6 46.2 37.8 31 625 A E H 3> S+ 0 0 139 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.825 112.4 43.9 -71.6 -33.0 55.8 47.3 36.1 32 626 A T H <> S+ 0 0 2 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.897 109.4 54.5 -78.5 -41.7 56.6 44.0 34.6 33 627 A L H X S+ 0 0 3 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.852 107.1 56.3 -57.7 -31.7 53.1 43.2 33.4 34 628 A T H X S+ 0 0 43 -4,-1.2 4,-2.8 -5,-0.3 -1,-0.2 0.907 104.6 48.1 -66.3 -44.3 53.4 46.6 31.7 35 629 A K H X S+ 0 0 85 -4,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.843 113.7 50.4 -64.9 -31.1 56.5 45.5 29.8 36 630 A F H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.958 109.3 48.8 -68.9 -52.5 54.5 42.4 28.9 37 631 A R H X S+ 0 0 49 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.903 115.6 46.2 -53.4 -43.6 51.6 44.5 27.7 38 632 A D H X S+ 0 0 72 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.918 107.9 53.4 -67.3 -46.5 54.0 46.6 25.7 39 633 A A H X S+ 0 0 16 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.804 110.1 51.6 -59.2 -29.4 55.9 43.7 24.2 40 634 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.939 110.7 44.8 -72.9 -49.4 52.6 42.3 23.0 41 635 A E H X S+ 0 0 66 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.929 112.1 52.7 -60.4 -44.4 51.4 45.5 21.3 42 636 A E H X S+ 0 0 113 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.867 110.0 51.0 -59.7 -33.8 54.8 45.9 19.7 43 637 A H H < S+ 0 0 2 -4,-1.2 3,-0.3 -5,-0.3 -2,-0.2 0.975 111.5 44.4 -65.2 -56.1 54.4 42.4 18.4 44 638 A L H < S+ 0 0 34 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.843 115.5 50.7 -57.2 -35.4 51.0 43.0 17.0 45 639 A S H < S+ 0 0 98 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.804 81.4 112.5 -74.2 -32.6 52.2 46.3 15.5 46 640 A D >< - 0 0 48 -4,-1.9 3,-0.7 -3,-0.3 -3,-0.0 -0.095 68.8-136.6 -44.9 137.6 55.3 44.8 13.9 47 641 A K T 3 S+ 0 0 178 1,-0.2 -1,-0.2 3,-0.0 -4,-0.0 0.797 105.4 56.4 -68.1 -28.7 55.0 45.0 10.1 48 642 A D T 3 S+ 0 0 62 2,-0.0 2,-0.4 18,-0.0 -1,-0.2 0.643 87.7 94.0 -78.1 -15.0 56.4 41.5 9.9 49 643 A T < + 0 0 14 -3,-0.7 2,-0.3 -6,-0.2 17,-0.2 -0.667 54.9 169.1 -81.7 130.2 53.6 40.2 12.1 50 644 A V E -A 65 0A 81 15,-2.5 15,-2.7 -2,-0.4 2,-0.1 -0.961 40.7 -89.6-139.5 155.5 50.6 38.9 10.2 51 645 A E E +A 64 0A 105 -2,-0.3 2,-0.3 13,-0.3 13,-0.3 -0.400 48.3 168.9 -65.2 135.8 47.5 36.9 11.0 52 646 A K - 0 0 58 11,-3.7 49,-0.1 1,-0.3 -2,-0.0 -0.787 44.5 -45.6-155.6 109.2 48.0 33.2 10.7 53 647 A G - 0 0 29 -2,-0.3 10,-1.8 9,-0.1 2,-0.3 -0.151 62.6-100.1 73.1-161.0 45.6 30.5 11.8 54 648 A T B -d 102 0B 32 47,-2.0 49,-2.8 8,-0.2 2,-1.0 -0.956 20.6-105.5-157.8 168.7 43.7 30.2 15.1 55 649 A Y > - 0 0 3 3,-0.3 3,-1.8 -2,-0.3 6,-0.3 -0.830 35.5-156.1-102.4 85.2 43.6 28.5 18.5 56 650 A R T 3 S+ 0 0 169 -2,-1.0 -1,-0.2 1,-0.3 5,-0.1 0.791 87.4 64.0 -30.6 -50.2 40.8 26.1 17.6 57 651 A R T 3 S+ 0 0 108 1,-0.2 2,-1.3 -3,-0.1 -1,-0.3 0.902 94.9 62.4 -44.3 -52.7 39.8 25.8 21.3 58 652 A E S X S- 0 0 33 -3,-1.8 3,-3.0 1,-0.1 -3,-0.3 -0.664 99.0-126.7 -84.1 93.7 38.9 29.5 21.4 59 653 A K T 3 S+ 0 0 188 -2,-1.3 -1,-0.1 1,-0.3 17,-0.0 0.485 89.0 0.9 1.2 -89.8 36.0 29.7 18.9 60 654 A G T 3 S+ 0 0 35 -3,-0.1 -1,-0.3 2,-0.0 -4,-0.1 -0.030 89.6 150.5-109.2 33.2 36.9 32.4 16.5 61 655 A S < - 0 0 4 -3,-3.0 2,-0.4 -6,-0.3 15,-0.2 -0.279 32.6-149.7 -64.0 148.0 40.2 33.4 17.8 62 656 A K E - B 0 75A 97 13,-2.2 13,-2.7 -8,-0.2 2,-0.4 -0.947 6.5-149.0-118.8 141.5 42.8 34.8 15.4 63 657 A V E - B 0 74A 0 -10,-1.8 -11,-3.7 -2,-0.4 2,-0.6 -0.919 1.8-148.7-115.7 138.8 46.5 34.4 15.9 64 658 A Y E -AB 51 73A 59 9,-2.4 9,-1.3 -2,-0.4 2,-0.4 -0.924 16.9-163.6-109.9 119.3 49.2 36.8 14.8 65 659 A F E -AB 50 72A 18 -15,-2.7 -15,-2.5 -2,-0.6 7,-0.2 -0.801 13.0-160.1-105.6 141.2 52.5 35.3 13.9 66 660 A N E >> - B 0 71A 2 5,-2.0 4,-2.5 -2,-0.4 5,-0.6 -0.968 7.3-157.5-121.5 112.2 55.9 36.9 13.5 67 661 A P T 45S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 0.625 90.4 55.1 -61.3 -18.6 58.4 34.8 11.4 68 662 A N T 45S+ 0 0 105 1,-0.1 -19,-0.0 3,-0.1 -2,-0.0 0.957 122.0 22.9 -81.8 -57.6 61.3 36.6 13.0 69 663 A T T 45S- 0 0 57 2,-0.1 3,-0.1 1,-0.0 -1,-0.1 0.655 96.1-136.0 -82.6 -16.6 60.6 36.0 16.7 70 664 A M T <5 + 0 0 36 -4,-2.5 17,-3.9 1,-0.2 2,-0.1 0.635 56.0 145.2 68.3 15.2 58.5 32.9 15.9 71 665 A N E < -BC 66 86A 5 -5,-0.6 -5,-2.0 15,-0.3 2,-0.3 -0.419 35.1-160.0 -83.2 159.2 56.0 34.3 18.4 72 666 A V E -BC 65 85A 0 13,-2.4 13,-1.9 -7,-0.2 2,-0.4 -0.987 3.8-163.4-138.2 143.4 52.2 34.1 18.3 73 667 A V E -BC 64 84A 0 -9,-1.3 -9,-2.4 -2,-0.3 2,-0.5 -0.999 14.5-144.1-129.0 129.7 49.7 36.1 20.1 74 668 A I E -BC 63 83A 0 9,-4.2 8,-3.2 -2,-0.4 9,-1.0 -0.842 13.3-169.6-100.9 128.5 46.1 34.9 20.3 75 669 A I E -BC 62 81A 12 -13,-2.7 -13,-2.2 -2,-0.5 6,-0.2 -0.950 21.0-125.8-115.6 135.9 43.2 37.4 20.2 76 670 A K > - 0 0 48 4,-3.4 3,-2.5 -2,-0.4 -14,-0.1 -0.239 35.0 -95.0 -73.8 168.6 39.7 36.3 21.0 77 671 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.1 2,-0.1 -16,-0.0 0.823 128.0 53.4 -51.7 -33.5 36.8 36.9 18.7 78 672 A N T 3 S- 0 0 99 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.147 122.9-103.3 -90.7 18.9 36.1 40.1 20.6 79 673 A G S < S+ 0 0 29 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.500 74.7 143.0 75.8 1.1 39.6 41.5 20.2 80 674 A E - 0 0 89 1,-0.1 -4,-3.4 -5,-0.1 -1,-0.3 -0.588 59.0-111.5 -77.7 136.7 40.5 40.6 23.8 81 675 A F E +C 75 0A 3 -76,-3.6 -6,-0.2 -2,-0.3 3,-0.1 -0.497 40.2 173.4 -65.1 127.5 44.1 39.4 24.3 82 676 A L E - 0 0 9 -8,-3.2 2,-0.3 1,-0.4 -1,-0.2 0.842 50.3 -55.4-101.0 -60.4 44.0 35.7 25.2 83 677 A S E -C 74 0A 0 -9,-1.0 -9,-4.2 2,-0.0 -1,-0.4 -0.939 45.3-162.6-167.0-175.6 47.6 34.4 25.3 84 678 A G E +C 73 0A 2 -11,-0.3 2,-0.3 -2,-0.3 -11,-0.2 -0.935 12.1 157.1-177.9 156.1 50.8 34.1 23.3 85 679 A W E -C 72 0A 4 -13,-1.9 -13,-2.4 -2,-0.3 2,-0.4 -0.967 44.9 -69.7-172.6 177.8 54.1 32.3 23.1 86 680 A K E -C 71 0A 38 -2,-0.3 -15,-0.3 -15,-0.2 2,-0.3 -0.736 42.0-130.2 -92.9 130.2 57.0 31.3 20.8 87 681 A I - 0 0 5 -17,-3.9 3,-0.1 -2,-0.4 -1,-0.0 -0.541 11.6-146.0 -76.6 134.9 56.5 28.6 18.2 88 682 A N > - 0 0 9 -2,-0.3 3,-1.4 1,-0.1 6,-0.6 -0.891 8.9-168.1-105.9 106.4 59.0 25.8 18.1 89 683 A P T 3 S+ 0 0 50 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.667 86.0 60.0 -65.5 -18.0 59.5 24.7 14.4 90 684 A D T 3 S+ 0 0 120 4,-0.1 2,-0.4 -3,-0.1 58,-0.1 0.533 93.7 79.0 -88.4 -6.6 61.4 21.6 15.5 91 685 A A S X> S- 0 0 0 -3,-1.4 4,-2.3 1,-0.1 3,-0.5 -0.832 87.3-123.8-103.5 140.5 58.4 20.3 17.5 92 686 A D H 3> S+ 0 0 69 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.858 112.4 54.4 -48.4 -42.1 55.5 18.6 15.7 93 687 A N H 3> S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 110.0 47.3 -60.3 -42.9 53.1 21.2 17.3 94 688 A G H <> S+ 0 0 2 -6,-0.6 4,-2.4 -3,-0.5 3,-0.2 0.977 114.2 44.3 -62.7 -56.9 55.1 24.0 15.9 95 689 A R H X S+ 0 0 92 -4,-2.3 4,-2.8 -7,-0.4 5,-0.2 0.858 111.4 55.0 -57.8 -36.5 55.4 22.6 12.4 96 690 A I H X S+ 0 0 64 -4,-2.6 4,-2.5 -5,-0.3 6,-0.5 0.909 108.5 48.1 -64.0 -40.9 51.8 21.6 12.3 97 691 A Y H X S+ 0 0 0 -4,-2.0 4,-3.3 -3,-0.2 -2,-0.2 0.924 112.7 49.6 -63.7 -42.2 50.8 25.2 13.1 98 692 A L H < S+ 0 0 56 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.902 117.0 39.9 -61.7 -43.7 53.1 26.4 10.4 99 693 A E H < S+ 0 0 129 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.803 136.4 15.3 -77.3 -31.0 51.7 24.0 7.8 100 694 A T H < S- 0 0 78 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.537 89.1-124.9-123.5 -10.8 48.1 24.3 8.8 101 695 A G < + 0 0 4 -4,-3.3 -47,-2.0 -5,-0.4 2,-0.7 0.418 64.9 136.5 79.2 -4.5 47.7 27.4 11.0 102 696 A E B d 54 0B 70 -6,-0.5 -1,-0.3 -49,-0.2 -47,-0.2 -0.701 360.0 360.0 -81.2 116.7 46.1 25.2 13.7 103 697 A L 0 0 41 -49,-2.8 -48,-0.2 -2,-0.7 -1,-0.2 0.887 360.0 360.0 -94.0 360.0 47.5 26.3 17.0 104 !* 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 0.0 105 3 B K 0 0 136 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-166.5 67.7 17.3 29.8 106 4 B M > + 0 0 66 1,-0.1 4,-3.4 2,-0.1 5,-0.3 -0.073 360.0 133.7-119.8 34.4 64.3 16.2 31.1 107 5 B A H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.858 78.6 46.7 -50.7 -39.0 63.5 19.1 33.3 108 6 B M H > S+ 0 0 13 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.912 112.2 47.2 -73.7 -42.5 60.0 19.2 31.8 109 7 B I H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.917 113.9 50.6 -63.2 -39.7 59.4 15.5 32.1 110 8 B D H X S+ 0 0 80 -4,-3.4 4,-2.5 2,-0.2 -2,-0.2 0.907 108.1 51.2 -61.9 -45.2 60.7 15.8 35.7 111 9 B L H X S+ 0 0 14 -4,-2.1 4,-2.9 -5,-0.3 -1,-0.2 0.913 109.1 52.4 -57.8 -44.5 58.4 18.7 36.5 112 10 B A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.900 110.6 45.9 -60.4 -43.9 55.5 16.6 35.1 113 11 B K H X S+ 0 0 96 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.884 111.6 52.4 -68.0 -36.4 56.3 13.7 37.4 114 12 B L H <>S+ 0 0 68 -4,-2.5 5,-2.3 2,-0.2 6,-0.8 0.927 112.6 46.3 -62.9 -42.8 56.7 16.1 40.3 115 13 B F H ><5S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.915 111.4 49.6 -65.3 -46.3 53.3 17.5 39.5 116 14 B L H 3<5S+ 0 0 28 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.803 107.8 55.3 -64.7 -27.1 51.7 14.0 39.1 117 15 B A T 3<5S- 0 0 55 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.498 112.3-126.3 -81.6 -3.0 53.3 13.1 42.5 118 16 B S T < 5S+ 0 0 78 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.711 75.1 127.9 63.7 21.5 51.4 16.2 43.8 119 17 B K S - 0 0 69 -2,-0.3 4,-3.2 1,-0.1 5,-0.2 -0.305 28.8-107.3 -82.8 168.0 50.6 22.3 42.5 122 20 B A H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.895 122.9 51.3 -61.2 -41.2 49.0 22.8 39.1 123 21 B I H > S+ 0 0 79 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.944 112.4 45.9 -62.1 -45.8 49.7 26.5 39.3 124 22 B E H > S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.939 114.4 47.8 -61.2 -47.8 53.3 25.8 40.2 125 23 B F H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.893 108.6 54.5 -60.1 -43.0 53.6 23.2 37.4 126 24 B S H < S+ 0 0 7 -4,-2.9 4,-0.3 -5,-0.2 -1,-0.2 0.789 114.7 39.9 -64.1 -29.9 52.0 25.5 34.9 127 25 B E H >X S+ 0 0 91 -4,-1.5 3,-1.4 -3,-0.4 4,-1.4 0.931 115.0 47.6 -85.0 -51.9 54.5 28.3 35.6 128 26 B R H 3X S+ 0 0 100 -4,-2.6 4,-2.9 1,-0.3 5,-0.2 0.810 103.4 64.6 -60.4 -29.3 57.7 26.3 35.9 129 27 B I H 3X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.3 0.817 101.8 50.2 -64.0 -29.0 56.9 24.4 32.8 130 28 B C H <> S+ 0 0 4 -3,-1.4 4,-2.1 -4,-0.3 -1,-0.2 0.867 109.5 49.9 -75.8 -37.7 57.2 27.7 30.9 131 29 B V H X S+ 0 0 66 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.937 113.6 46.2 -65.2 -44.9 60.5 28.5 32.4 132 30 B E H X S+ 0 0 26 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.882 111.1 50.9 -67.8 -36.2 61.8 25.0 31.5 133 31 B R H X S+ 0 0 7 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.919 110.9 49.2 -65.3 -43.2 60.4 25.1 28.0 134 32 B R H >< S+ 0 0 68 -4,-2.1 3,-0.8 2,-0.2 -2,-0.2 0.938 111.9 49.7 -59.6 -48.1 62.2 28.5 27.4 135 33 B R H 3< S+ 0 0 157 -4,-2.3 4,-0.2 1,-0.2 -2,-0.2 0.967 116.0 40.0 -55.6 -58.1 65.4 27.1 28.8 136 34 B L H 3< S+ 0 0 24 -4,-2.6 3,-0.5 -5,-0.1 2,-0.3 0.470 89.1 120.4 -73.0 -1.9 65.4 24.0 26.6 137 35 B Y S << S+ 0 0 67 -3,-0.8 3,-0.1 -4,-0.8 -3,-0.0 -0.498 86.4 0.3 -70.2 124.3 64.1 25.9 23.6 138 36 B G S S+ 0 0 48 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.051 91.9 142.0 89.1 -27.4 66.5 25.7 20.7 139 37 B V - 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0 0 12 10,-2.8 5,-0.2 -2,-0.3 12,-0.1 -0.936 24.5-159.4-143.2 114.5 42.7 27.6 34.8 162 60 B P + 0 0 59 0, 0.0 2,-0.2 0, 0.0 11,-0.1 0.782 64.4 99.5 -64.8 -27.6 42.1 27.5 38.6 163 61 B D S > S- 0 0 73 1,-0.1 3,-1.8 2,-0.1 -2,-0.1 -0.402 75.3-132.9 -67.6 134.0 39.0 29.8 38.5 164 62 B A T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.2 8,-0.0 0.743 104.3 61.8 -54.6 -28.3 35.6 28.1 38.6 165 63 B D T 3 S+ 0 0 132 3,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.142 77.1 142.4 -88.1 21.3 34.4 30.2 35.7 166 64 B R < - 0 0 62 -3,-1.8 6,-0.1 -5,-0.2 -6,-0.0 -0.132 59.2 -89.3 -59.6 159.1 37.0 28.9 33.3 167 65 B A > - 0 0 34 1,-0.1 3,-0.6 4,-0.1 -1,-0.1 -0.128 37.9-105.7 -64.1 167.1 36.1 28.2 29.7 168 66 B N T 3 S+ 0 0 161 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.791 121.4 47.5 -67.9 -28.8 34.6 24.9 28.6 169 67 B Y T 3 S+ 0 0 30 -112,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.588 97.7 90.7 -87.9 -11.2 37.9 23.8 26.9 170 68 B E < - 0 0 33 -3,-0.6 2,-0.3 -113,-0.1 -10,-0.2 -0.428 66.4-147.6 -81.2 160.5 39.9 24.9 29.9 171 69 B I B -e 160 0C 33 -12,-2.6 -10,-2.8 -15,-0.2 4,-0.1 -0.865 2.2-132.9-129.4 161.2 40.6 22.4 32.7 172 70 B D > - 0 0 57 2,-0.5 4,-1.9 -2,-0.3 5,-0.2 -0.306 50.2 -72.0 -99.6-172.9 41.1 22.4 36.5 173 71 B D H > S+ 0 0 76 2,-0.2 4,-2.1 3,-0.2 3,-0.4 0.927 129.4 48.4 -41.1 -64.3 43.8 20.8 38.8 174 72 B N H 4 S+ 0 0 106 1,-0.2 2,-0.7 2,-0.2 -2,-0.5 -0.534 110.7 44.6 -71.2 152.6 42.4 17.3 38.2 175 73 B G H > S+ 0 0 24 -2,-0.2 4,-2.8 -4,-0.1 -1,-0.2 -0.371 110.3 57.1 101.1 -58.2 42.0 17.2 34.5 176 74 B L H X S+ 0 0 0 -4,-1.9 4,-3.3 -2,-0.7 5,-0.2 0.924 108.3 48.2 -71.2 -41.0 45.5 18.8 34.1 177 75 B K H X S+ 0 0 43 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.943 114.5 44.7 -60.8 -47.8 46.7 15.8 36.2 178 76 B V H > S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.937 115.5 48.0 -61.0 -47.5 44.8 13.4 33.9 179 77 B E H X S+ 0 0 65 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.925 113.3 47.7 -58.4 -48.4 45.9 15.2 30.8 180 78 B V H X S+ 0 0 0 -4,-3.3 4,-2.5 2,-0.2 5,-0.2 0.916 111.9 48.1 -62.1 -46.6 49.6 15.2 32.0 181 79 B R H X S+ 0 0 104 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.933 111.8 51.4 -60.9 -43.6 49.7 11.6 33.0 182 80 B S H X S+ 0 0 60 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.905 109.3 50.7 -59.3 -42.3 48.1 10.7 29.6 183 81 B I H X S+ 0 0 5 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.921 109.8 48.7 -64.0 -44.3 50.8 12.8 27.8 184 82 B L H <>S+ 0 0 2 -4,-2.5 5,-2.6 2,-0.2 6,-0.4 0.911 114.2 46.8 -62.0 -41.7 53.7 11.1 29.6 185 83 B E H ><5S+ 0 0 93 -4,-2.4 3,-3.1 3,-0.2 -2,-0.2 0.960 105.1 59.6 -64.2 -50.6 52.2 7.7 28.8 186 84 B K H 3<5S+ 0 0 116 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.859 115.3 35.9 -44.5 -42.0 51.6 8.6 25.2 187 85 B F T 3<5S- 0 0 20 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.306 115.7-117.8 -96.9 9.2 55.3 9.2 24.9 188 86 B K T < 5S+ 0 0 168 -3,-3.1 -3,-0.2 -5,-0.1 -2,-0.1 0.954 77.0 123.4 54.5 59.7 56.2 6.3 27.2 189 87 B L < 0 0 30 -5,-2.6 -4,-0.2 -6,-0.1 -5,-0.1 0.145 360.0 360.0-132.4 15.9 57.9 8.4 29.9 190 88 B H 0 0 153 -6,-0.4 -77,-0.0 -5,-0.1 -9,-0.0 -0.168 360.0 360.0 -86.5 360.0 55.8 7.4 33.0