==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN/TOXIN REPRESSOR 17-DEC-08 2KC8 . COMPND 2 MOLECULE: TOXIN RELE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.LI,Y.ZHANG,M.INOUYE,M.IKURA . 128 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.6 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 . 1 0.8 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 . 13 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 1 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A M 0 0 123 0, 0.0 34,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 131.5 5.4 13.0 -7.0 2 2 A A + 0 0 52 32,-1.5 2,-0.4 1,-0.1 33,-0.2 0.909 360.0 41.2 -80.5 -48.2 8.9 12.3 -5.7 3 3 A Y S S- 0 0 29 31,-2.7 69,-0.3 1,-0.1 -1,-0.1 -0.762 92.0-126.0 -94.9 142.4 8.4 8.6 -5.6 4 4 A F E -a 72 0A 103 67,-2.5 69,-2.5 -2,-0.4 2,-0.5 -0.299 24.9-110.6 -80.0 173.9 6.6 7.0 -8.5 5 5 A L E +aB 73 124A 2 119,-1.2 119,-2.9 67,-0.2 2,-0.3 -0.924 35.6 171.5-116.0 129.2 3.6 4.8 -8.0 6 6 A D E -aB 74 123A 12 67,-2.4 69,-2.6 -2,-0.5 2,-0.4 -0.969 9.7-164.7-130.8 148.8 3.5 1.1 -8.6 7 7 A F E -aB 75 122A 6 115,-1.2 115,-2.0 -2,-0.3 69,-0.2 -0.998 24.8-116.2-136.6 137.4 0.8 -1.5 -7.9 8 8 A D E > - B 0 121A 0 67,-2.3 4,-1.7 -2,-0.4 112,-0.2 -0.485 32.2-121.1 -61.6 137.5 0.7 -5.3 -7.7 9 9 A E H > S+ 0 0 76 110,-1.6 4,-1.2 111,-0.7 5,-0.1 0.854 115.9 49.5 -53.0 -37.7 -1.6 -6.7 -10.4 10 10 A R H > S+ 0 0 93 109,-0.4 4,-1.7 1,-0.2 3,-0.5 0.934 107.0 56.0 -69.1 -42.0 -3.7 -8.4 -7.7 11 11 A A H > S+ 0 0 0 65,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.784 99.7 60.4 -59.4 -32.9 -3.9 -5.1 -5.9 12 12 A L H X S+ 0 0 25 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.936 109.5 41.9 -59.0 -42.1 -5.3 -3.4 -9.0 13 13 A K H X S+ 0 0 107 -4,-1.2 4,-1.2 -3,-0.5 -2,-0.2 0.805 108.6 63.1 -77.8 -26.7 -8.2 -5.7 -8.9 14 14 A E H < S+ 0 0 36 -4,-1.7 4,-0.4 1,-0.2 3,-0.3 0.881 102.1 47.6 -64.6 -42.2 -8.3 -5.3 -5.1 15 15 A W H >< S+ 0 0 19 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.813 108.9 56.3 -72.7 -22.4 -9.1 -1.6 -5.3 16 16 A R H 3< S+ 0 0 161 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.782 104.0 53.2 -75.9 -26.9 -11.8 -2.4 -7.9 17 17 A K T 3< S+ 0 0 143 -4,-1.2 2,-0.2 -3,-0.3 -1,-0.2 0.468 104.0 68.6 -89.0 -1.6 -13.6 -4.8 -5.5 18 18 A L S < S- 0 0 14 -3,-0.6 5,-0.1 -4,-0.4 61,-0.0 -0.685 99.9 -64.5-114.0 169.1 -13.8 -2.3 -2.8 19 19 A G > - 0 0 36 -2,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.179 38.2-129.3 -56.2 139.9 -15.8 0.9 -2.3 20 20 A S H > S+ 0 0 91 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.868 109.9 46.4 -57.6 -41.3 -15.1 3.9 -4.6 21 21 A T H > S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.800 107.7 59.7 -75.5 -25.4 -14.7 6.4 -1.8 22 22 A V H > S+ 0 0 19 -3,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.931 104.4 47.9 -66.9 -43.9 -12.5 3.9 0.0 23 23 A R H X S+ 0 0 47 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.851 108.3 55.7 -67.9 -32.7 -10.0 3.8 -2.8 24 24 A E H X S+ 0 0 62 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.849 104.6 52.7 -70.2 -34.2 -9.9 7.6 -3.0 25 25 A Q H X S+ 0 0 65 -4,-1.6 4,-1.6 2,-0.2 3,-0.3 0.944 109.9 48.6 -62.2 -46.3 -9.0 7.8 0.7 26 26 A L H X S+ 0 0 5 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.901 107.0 57.2 -59.7 -41.9 -6.1 5.4 0.1 27 27 A K H X S+ 0 0 20 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.856 106.8 47.8 -58.8 -38.8 -5.0 7.5 -2.9 28 28 A K H X S+ 0 0 128 -4,-1.6 4,-1.1 -3,-0.3 -1,-0.2 0.813 108.5 53.1 -77.8 -25.6 -4.7 10.7 -0.8 29 29 A K H X S+ 0 0 64 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.723 109.2 53.4 -76.0 -17.9 -2.7 8.8 1.8 30 30 A L H X S+ 0 0 1 -4,-1.1 4,-2.2 -5,-0.2 -2,-0.2 0.854 98.8 59.6 -83.9 -35.7 -0.6 7.8 -1.1 31 31 A V H < S+ 0 0 63 -4,-1.7 4,-0.2 1,-0.2 -2,-0.2 0.880 106.9 48.8 -62.9 -34.1 0.1 11.3 -2.4 32 32 A E H >X S+ 0 0 100 -4,-1.1 4,-1.8 1,-0.2 3,-1.0 0.878 111.9 47.4 -73.0 -34.6 1.6 12.2 1.0 33 33 A V H 3< S+ 0 0 0 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.840 100.6 66.7 -75.3 -26.5 3.9 9.1 1.0 34 34 A L T 3< S+ 0 0 1 -4,-2.2 -31,-2.7 1,-0.2 -32,-1.5 0.615 107.1 42.1 -68.5 -10.6 4.9 9.8 -2.5 35 35 A E T <4 S- 0 0 130 -3,-1.0 -2,-0.2 -4,-0.2 -1,-0.2 0.820 142.7 -1.2 -94.2 -50.2 6.6 12.8 -1.0 36 36 A S < + 0 0 81 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 -0.863 68.4 173.5-147.1 96.2 8.0 11.1 2.1 37 37 A P + 0 0 4 0, 0.0 2,-1.7 0, 0.0 -4,-0.1 0.512 52.0 96.7 -89.7 -5.2 7.1 7.3 2.3 38 38 A R + 0 0 140 -5,-0.1 2,-1.1 1,-0.1 3,-0.1 -0.622 42.8 163.4 -90.2 82.2 9.2 6.3 5.3 39 39 A I > - 0 0 37 -2,-1.7 3,-1.7 1,-0.2 -1,-0.1 -0.768 13.9-176.2-102.8 83.9 6.6 6.6 7.9 40 40 A E G > S+ 0 0 131 -2,-1.1 3,-1.4 1,-0.3 -1,-0.2 0.736 79.3 64.9 -54.5 -28.8 8.3 4.6 10.7 41 41 A A G 3 S+ 0 0 46 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.886 106.3 43.8 -60.8 -35.7 5.3 5.0 12.9 42 42 A N G < S+ 0 0 54 -3,-1.7 10,-2.4 59,-0.0 -1,-0.3 0.193 87.3 141.9 -96.4 14.7 3.3 2.9 10.3 43 43 A K B < -C 51 0A 77 -3,-1.4 8,-0.3 8,-0.2 2,-0.1 -0.178 51.5-117.3 -58.6 149.6 6.1 0.3 9.9 44 44 A L - 0 0 0 6,-2.4 2,-1.1 3,-0.7 -1,-0.1 -0.383 26.8-107.2 -82.5 165.6 5.2 -3.3 9.5 45 45 A R S S+ 0 0 126 1,-0.1 64,-0.1 -2,-0.1 -1,-0.1 -0.760 102.8 2.7-100.6 85.5 6.3 -6.0 12.0 46 46 A G S S+ 0 0 63 -2,-1.1 -1,-0.1 4,-0.1 3,-0.1 -0.207 117.6 73.7 134.6 -41.9 9.0 -7.9 10.2 47 47 A M > - 0 0 48 1,-0.1 3,-1.2 3,-0.1 -3,-0.7 -0.891 55.4-172.6-106.1 105.0 9.4 -6.2 6.9 48 48 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.659 85.8 57.8 -71.5 -14.1 11.2 -2.9 7.5 49 49 A D T 3 S+ 0 0 82 -3,-0.1 17,-2.6 16,-0.1 2,-0.4 0.503 99.0 73.8 -91.4 -7.0 10.6 -1.9 3.9 50 50 A C E < - D 0 65A 2 -3,-1.2 -6,-2.4 15,-0.2 2,-0.3 -0.855 56.1-179.2-116.5 145.6 6.9 -2.2 4.3 51 51 A Y E -CD 43 64A 23 13,-2.2 13,-2.0 -2,-0.4 2,-0.5 -0.919 17.9-135.3-136.5 160.1 4.4 0.0 6.0 52 52 A K E - D 0 63A 11 -10,-2.4 2,-0.4 -2,-0.3 11,-0.2 -0.979 11.9-168.6-124.4 129.9 0.6 -0.1 6.5 53 53 A I E - D 0 62A 4 9,-2.6 9,-2.3 -2,-0.5 2,-0.3 -0.880 13.9-172.3-109.2 147.5 -1.8 2.7 6.1 54 54 A K E - D 0 61A 92 -2,-0.4 2,-0.6 7,-0.2 7,-0.2 -0.973 26.7-118.7-143.1 153.1 -5.3 2.2 7.3 55 55 A L > - 0 0 11 5,-2.6 4,-2.2 -2,-0.3 5,-0.1 -0.870 20.0-149.0 -97.6 118.7 -8.5 4.0 7.2 56 56 A R T 4 S+ 0 0 248 -2,-0.6 -1,-0.2 1,-0.2 0, 0.0 0.882 93.7 18.5 -55.3 -49.3 -9.8 5.0 10.7 57 57 A S T 4 S+ 0 0 108 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.849 123.9 54.0 -94.6 -39.2 -13.4 4.8 9.9 58 58 A S T 4 S- 0 0 38 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.828 89.1-141.9 -71.0 -33.2 -13.6 2.7 6.7 59 59 A G < + 0 0 35 -4,-2.2 2,-0.2 1,-0.3 -3,-0.1 0.472 58.6 121.6 86.8 0.2 -11.6 -0.2 8.1 60 60 A Y - 0 0 68 20,-0.1 -5,-2.6 -5,-0.1 -1,-0.3 -0.548 41.4-166.6 -92.6 163.2 -9.7 -0.9 4.9 61 61 A R E -DE 54 79A 15 18,-2.2 18,-2.4 -7,-0.2 2,-0.3 -0.897 15.0-148.8-145.1 172.4 -6.0 -0.8 4.6 62 62 A L E -DE 53 78A 2 -9,-2.3 -9,-2.6 -2,-0.3 2,-0.4 -0.990 7.7-155.6-147.0 139.1 -3.1 -0.7 2.2 63 63 A V E +DE 52 77A 1 14,-2.5 13,-2.2 -2,-0.3 14,-1.5 -0.985 18.6 176.5-121.0 129.4 0.4 -2.1 2.4 64 64 A Y E -DE 51 75A 0 -13,-2.0 -13,-2.2 -2,-0.4 2,-0.4 -0.906 21.3-141.6-132.4 160.5 3.2 -0.7 0.5 65 65 A Q E -DE 50 74A 30 9,-2.0 9,-2.5 -2,-0.3 2,-0.8 -0.951 18.2-132.3-121.0 139.8 6.9 -1.2 0.2 66 66 A V E - E 0 73A 6 -17,-2.6 2,-0.8 -2,-0.4 7,-0.2 -0.840 19.0-168.3 -98.2 108.7 9.4 1.6 -0.3 67 67 A I E > - E 0 72A 34 5,-2.5 5,-2.3 -2,-0.8 4,-0.5 -0.870 7.6-179.7 -98.5 108.9 11.8 0.8 -3.1 68 68 A D T 5S+ 0 0 77 -2,-0.8 -1,-0.2 3,-0.2 3,-0.1 0.874 77.2 58.2 -77.0 -37.8 14.6 3.3 -3.0 69 69 A E T 5S+ 0 0 157 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.891 120.7 27.3 -60.1 -42.7 16.6 2.0 -5.9 70 70 A K T 5S- 0 0 115 2,-0.1 -1,-0.2 -66,-0.0 -66,-0.2 0.467 106.5-129.6 -98.7 -2.9 13.6 2.4 -8.4 71 71 A V T 5 + 0 0 53 -4,-0.5 -67,-2.5 1,-0.2 2,-0.3 0.977 60.8 129.0 50.8 68.5 12.2 5.3 -6.3 72 72 A V E < -aE 4 67A 2 -5,-2.3 -5,-2.5 -69,-0.3 2,-0.9 -0.996 62.4-130.6-155.4 141.5 8.8 4.0 -6.1 73 73 A V E -aE 5 66A 0 -69,-2.5 -67,-2.4 -2,-0.3 2,-0.9 -0.869 29.8-162.6 -91.2 107.4 6.0 3.2 -3.7 74 74 A F E -aE 6 65A 8 -9,-2.5 -9,-2.0 -2,-0.9 2,-0.5 -0.841 4.8-152.7-100.7 101.5 5.0 -0.3 -4.6 75 75 A V E +aE 7 64A 0 -69,-2.6 -67,-2.3 -2,-0.9 -11,-0.3 -0.633 18.9 173.9 -75.2 123.4 1.7 -1.1 -3.1 76 76 A I E + 0 0 0 -13,-2.2 2,-0.4 -2,-0.5 -65,-0.3 0.787 60.4 27.1-101.8 -38.3 1.5 -4.8 -2.6 77 77 A S E + E 0 63A 6 -14,-1.5 -14,-2.5 -67,-0.1 2,-0.4 -0.978 55.7 177.8-135.1 143.4 -1.8 -5.4 -0.8 78 78 A V E + E 0 62A 7 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.2 -0.992 46.0 41.4-143.2 129.5 -5.1 -3.5 -0.7 79 79 A G E S- E 0 61A 10 -18,-2.4 -18,-2.2 -2,-0.4 2,-0.5 -0.940 92.4 -24.2 138.6-154.0 -8.3 -4.4 1.1 80 80 A K + 0 0 131 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.1 -0.874 57.8 146.0-104.1 128.2 -9.3 -5.7 4.5 81 81 A A + 0 0 14 -2,-0.5 2,-0.2 30,-0.0 -2,-0.1 -0.909 21.3 159.4-145.3 155.3 -6.9 -7.8 6.5 82 82 A E - 0 0 60 -2,-0.3 25,-0.2 22,-0.1 26,-0.1 -0.731 46.2-115.3-158.4-162.3 -6.9 -7.7 10.2 83 83 A A S > S+ 0 0 13 -2,-0.2 4,-1.1 24,-0.1 5,-0.2 0.611 96.4 61.4-120.1 -43.6 -6.0 -9.2 13.5 84 84 A S H >> S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 3,-1.5 0.966 109.9 32.4 -56.0 -70.6 -9.3 -9.9 15.1 85 85 A E H 3>>S+ 0 0 94 1,-0.3 4,-2.3 2,-0.2 5,-0.8 0.597 107.3 72.4 -74.5 -5.2 -11.2 -12.3 12.9 86 86 A V H 345S+ 0 0 51 3,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.848 108.8 34.2 -71.8 -32.7 -7.9 -13.9 11.9 87 87 A Y H <<5S+ 0 0 203 -3,-1.5 -2,-0.2 -4,-1.1 4,-0.2 0.885 119.6 51.7 -84.7 -43.5 -7.9 -15.4 15.3 88 88 A S H <5S+ 0 0 66 -4,-2.0 3,-0.2 1,-0.2 -2,-0.2 0.956 125.9 23.0 -60.0 -57.3 -11.7 -15.8 15.6 89 89 A E T <5S+ 0 0 144 -4,-2.3 2,-1.4 1,-0.2 -3,-0.2 0.907 87.3 160.0 -76.8 -41.0 -12.2 -17.6 12.3 90 90 A A < + 0 0 66 -5,-0.8 2,-0.3 -4,-0.4 -1,-0.2 -0.406 55.3 2.6 60.6 -84.6 -8.6 -18.8 12.2 91 91 A V - 0 0 76 -2,-1.4 4,-0.0 -3,-0.2 -4,-0.0 -0.773 39.2-167.8-131.7 167.0 -8.8 -21.8 9.9 92 92 A K S S+ 0 0 209 -2,-0.3 3,-0.1 2,-0.0 -1,-0.1 0.208 86.4 50.9-137.8 6.7 -11.2 -23.6 7.7 93 93 A R S S+ 0 0 221 1,-0.3 2,-0.6 2,-0.0 -2,-0.0 0.761 112.2 19.7-110.6 -75.2 -9.1 -26.7 7.0 94 94 A I 0 0 130 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 -0.900 360.0 360.0-109.9 118.9 -7.7 -28.4 10.1 95 95 A L 0 0 208 -2,-0.6 -1,-0.2 -3,-0.1 -2,-0.0 0.911 360.0 360.0 -89.7 360.0 -9.3 -27.6 13.4 96 !* 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 97 47 B K 0 0 256 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.4 5.3 2.1 25.6 98 48 B Q - 0 0 184 2,-0.0 2,-0.1 0, 0.0 3,-0.0 0.381 360.0 -84.9 77.0 140.7 3.5 -0.7 23.6 99 49 B T - 0 0 95 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.427 15.9-143.8 -79.8 147.5 4.1 -1.1 20.0 100 50 B L S S+ 0 0 135 -2,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.829 91.8 71.9 -74.2 -33.3 2.2 0.7 17.3 101 51 B L S S+ 0 0 25 -57,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.467 70.9 169.7 -76.4 155.0 2.4 -2.4 15.3 102 52 B S - 0 0 50 -2,-0.1 4,-0.4 -57,-0.0 3,-0.2 -0.476 50.7 -56.7-145.4-155.6 0.2 -5.2 16.5 103 53 B D S S+ 0 0 93 1,-0.2 4,-0.4 2,-0.2 -21,-0.1 0.533 121.4 70.2 -80.4 -9.9 -1.2 -8.7 15.7 104 54 B E S >> S+ 0 0 14 1,-0.2 3,-2.3 2,-0.2 4,-1.8 0.927 91.3 59.5 -66.4 -43.2 -2.6 -7.4 12.5 105 55 B D H 3> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.775 91.4 68.5 -57.4 -31.3 1.0 -7.1 11.2 106 56 B A H 34 S+ 0 0 55 -4,-0.4 4,-0.5 1,-0.2 -1,-0.3 0.775 107.3 39.0 -61.0 -27.0 1.3 -10.8 11.7 107 57 B E H X> S+ 0 0 39 -3,-2.3 4,-1.6 -4,-0.4 3,-0.6 0.855 111.0 56.5 -90.4 -39.9 -1.1 -11.3 8.9 108 58 B L H 3X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.839 101.5 58.8 -63.1 -30.3 0.1 -8.5 6.7 109 59 B V H 3X S+ 0 0 29 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.867 106.8 46.7 -67.3 -34.1 3.6 -10.0 6.7 110 60 B E H <> S+ 0 0 118 -3,-0.6 4,-0.9 -4,-0.5 -1,-0.2 0.800 114.2 47.9 -79.1 -27.3 2.3 -13.2 5.2 111 61 B I H X S+ 0 0 33 -4,-1.6 4,-2.1 2,-0.2 5,-0.3 0.930 112.3 47.7 -75.4 -46.5 0.3 -11.4 2.6 112 62 B V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.936 113.2 46.7 -62.9 -46.0 3.0 -9.1 1.5 113 63 B K H X S+ 0 0 101 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.796 109.3 58.5 -69.0 -27.2 5.7 -11.8 1.1 114 64 B E H < S+ 0 0 107 -4,-0.9 3,-0.4 2,-0.2 4,-0.2 0.958 115.5 31.5 -64.3 -53.5 3.2 -13.9 -0.8 115 65 B R H >< S+ 0 0 19 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.864 107.5 73.4 -75.5 -32.5 2.6 -11.4 -3.5 116 66 B L H 3< S+ 0 0 62 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.765 87.7 61.6 -55.1 -33.3 6.1 -10.0 -3.4 117 67 B R T 3< S- 0 0 184 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.1 0.692 131.4 -1.2 -71.4 -18.3 7.6 -13.1 -5.0 118 68 B N S < S+ 0 0 84 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 -0.301 80.1 135.9-169.7 73.1 5.5 -12.5 -8.2 119 69 B P - 0 0 16 0, 0.0 -110,-1.6 0, 0.0 -109,-0.4 0.836 53.0-134.6 -92.1 -35.5 3.2 -9.5 -8.1 120 70 B K - 0 0 107 -112,-0.2 -111,-0.7 -4,-0.1 2,-0.2 0.954 21.8-138.3 69.1 81.8 3.7 -7.8 -11.5 121 71 B P E -B 8 0A 76 0, 0.0 2,-0.5 0, 0.0 -113,-0.2 -0.526 12.0-155.6 -72.4 134.4 4.0 -4.1 -10.7 122 72 B V E -B 7 0A 51 -115,-2.0 -115,-1.2 -2,-0.2 2,-0.5 -0.967 17.0-129.2-113.2 120.6 2.3 -1.6 -13.0 123 73 B R E +B 6 0A 115 -2,-0.5 -117,-0.2 -117,-0.2 2,-0.2 -0.598 47.9 144.3 -75.6 116.9 3.7 1.9 -13.1 124 74 B V E -B 5 0A 14 -119,-2.9 -119,-1.2 -2,-0.5 2,-0.3 -0.689 40.0-129.1-138.2-175.6 0.9 4.4 -12.5 125 75 B T - 0 0 62 -2,-0.2 4,-0.3 -121,-0.1 -121,-0.1 -0.841 28.6-114.7-132.7 172.0 0.0 7.7 -11.0 126 76 B L S S+ 0 0 10 -2,-0.3 3,-0.4 1,-0.2 -99,-0.1 0.775 110.7 62.2 -84.1 -25.5 -2.9 8.7 -8.7 127 77 B D S S+ 0 0 156 1,-0.2 -1,-0.2 -100,-0.0 -100,-0.0 0.835 104.3 48.0 -69.1 -31.5 -4.5 11.0 -11.2 128 78 B E 0 0 112 1,-0.0 -1,-0.2 0, 0.0 -2,-0.2 0.608 360.0 360.0 -87.2 -12.5 -5.0 8.1 -13.6 129 79 B L 0 0 35 -3,-0.4 -102,-0.0 -4,-0.3 -1,-0.0 -0.650 360.0 360.0 -75.1 360.0 -6.5 5.9 -10.9