==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 07-DEC-07 3BKT . COMPND 2 MOLECULE: NICKEL-RESPONSIVE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.M.PHILLIPS,E.R.SCHREITER,C.L.DRENNAN . 327 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 82.6 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 . 128 39.1 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 . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 34 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 25.4 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+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 0 0 5 2 0 0 0 0 0 0 0 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 2 0 0 0 7 1 0 1 3 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 2 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 50 A T 0 0 120 0, 0.0 55,-3.1 0, 0.0 56,-0.3 0.000 360.0 360.0 360.0 115.4 9.5 58.3 33.1 2 51 A Q E +A 55 0A 108 53,-0.3 80,-3.2 54,-0.1 2,-0.3 -0.498 360.0 113.1 -89.6 167.8 10.1 54.6 32.4 3 52 A G E -AB 54 81A 8 51,-1.1 51,-2.6 78,-0.3 2,-0.3 -0.994 54.2 -74.8 168.3-160.6 12.0 53.3 29.4 4 53 A F E -AB 53 80A 24 76,-2.3 76,-3.1 -2,-0.3 2,-0.3 -0.783 32.7-167.9-122.6 165.7 15.0 51.6 28.0 5 54 A A E -AB 52 79A 0 47,-2.0 47,-2.8 -2,-0.3 2,-0.5 -0.985 18.7-137.6-152.7 157.6 18.6 52.6 27.4 6 55 A V E -AB 51 78A 6 72,-2.3 72,-2.3 -2,-0.3 2,-0.5 -0.983 21.9-173.2-118.2 116.6 21.8 51.5 25.6 7 56 A L E +AB 50 77A 0 43,-2.9 43,-3.0 -2,-0.5 2,-0.3 -0.953 6.9 179.3-112.2 125.4 25.0 51.9 27.7 8 57 A S E +AB 49 76A 2 68,-2.6 68,-2.5 -2,-0.5 2,-0.3 -0.927 7.7 153.4-129.2 154.1 28.3 51.2 25.9 9 58 A Y E -A 48 0A 0 39,-1.8 39,-2.7 -2,-0.3 2,-0.3 -0.972 29.5-131.9-171.0 160.6 31.9 51.4 27.2 10 59 A V E +AB 47 73A 4 63,-2.6 63,-3.2 -2,-0.3 2,-0.3 -0.945 28.2 160.6-126.3 142.6 35.4 50.0 26.6 11 60 A Y E -A 46 0A 12 35,-1.8 35,-3.1 -2,-0.3 2,-0.5 -0.974 43.5 -97.3-156.0 161.3 37.9 48.7 29.3 12 61 A E E > -A 45 0A 74 59,-0.4 3,-1.9 -2,-0.3 33,-0.2 -0.738 25.8-144.7 -83.1 125.0 41.0 46.6 29.6 13 62 A H T 3 S+ 0 0 26 31,-1.8 6,-0.1 -2,-0.5 -1,-0.1 0.788 95.6 70.8 -63.0 -25.5 40.1 43.0 30.6 14 63 A E T 3 S+ 0 0 75 30,-0.4 2,-1.7 1,-0.2 -1,-0.3 0.596 75.4 87.7 -66.9 -11.8 43.3 42.8 32.7 15 64 A K <> + 0 0 75 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 -0.622 60.1 172.0 -84.0 78.9 41.7 45.3 35.1 16 65 A R H > + 0 0 51 -2,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.802 69.5 51.6 -69.0 -31.0 40.1 42.5 37.0 17 66 A D H > S+ 0 0 99 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.919 111.8 48.1 -73.2 -40.6 38.7 44.5 39.9 18 67 A L H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.960 112.9 48.6 -56.6 -53.1 37.1 46.9 37.5 19 68 A A H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.902 111.2 49.8 -53.3 -46.6 35.6 44.0 35.5 20 69 A S H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.893 110.6 50.2 -63.3 -38.6 34.3 42.4 38.7 21 70 A R H X S+ 0 0 114 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.887 107.7 53.6 -66.4 -40.1 32.7 45.6 39.9 22 71 A I H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.964 115.0 39.6 -59.9 -52.3 30.9 46.1 36.5 23 72 A V H X S+ 0 0 23 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.897 114.9 53.1 -65.8 -39.7 29.3 42.7 36.5 24 73 A S H X S+ 0 0 37 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.918 108.8 49.8 -64.5 -39.7 28.6 42.9 40.3 25 74 A T H X S+ 0 0 34 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.910 108.4 53.1 -64.1 -40.9 26.8 46.2 39.9 26 75 A Q H < S+ 0 0 5 -4,-1.9 7,-0.4 1,-0.2 -2,-0.2 0.910 112.1 45.2 -58.5 -42.2 24.7 44.8 37.0 27 76 A H H >< S+ 0 0 5 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.830 110.2 54.2 -71.2 -31.8 23.7 41.9 39.3 28 77 A H H 3< S+ 0 0 133 -4,-2.2 2,-0.5 1,-0.3 3,-0.2 0.924 116.8 38.1 -63.9 -43.9 23.0 44.4 42.2 29 78 A H T >X S+ 0 0 59 -4,-2.6 4,-1.3 1,-0.2 3,-1.3 -0.412 77.1 148.9-101.2 56.0 20.7 46.3 39.8 30 79 A H T <4 + 0 0 108 -3,-0.9 -1,-0.2 -2,-0.5 177,-0.1 0.816 66.6 59.5 -66.2 -30.5 19.3 43.1 38.2 31 80 A D T 34 S+ 0 0 112 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.780 108.6 45.9 -63.1 -31.1 15.9 44.8 37.5 32 81 A L T <4 S+ 0 0 8 -3,-1.3 21,-2.5 -6,-0.2 2,-0.6 0.751 99.1 78.0 -83.9 -27.3 17.7 47.4 35.4 33 82 A S E < +C 52 0A 12 -4,-1.3 19,-0.2 -7,-0.4 174,-0.2 -0.761 45.9 170.5 -96.2 116.1 19.9 45.1 33.4 34 83 A V E - 0 0 27 17,-2.8 2,-0.3 -2,-0.6 173,-0.2 0.943 65.0 -42.8 -83.6 -58.6 18.3 43.2 30.5 35 84 A A E -C 51 0A 0 16,-0.9 16,-2.7 171,-0.1 -1,-0.4 -0.956 50.4-136.5-167.8 160.4 21.4 41.7 28.8 36 85 A T E -CD 50 205A 1 169,-2.3 169,-3.2 -2,-0.3 2,-0.5 -0.993 6.1-149.3-134.8 135.9 24.9 42.7 27.7 37 86 A L E -CD 49 204A 0 12,-2.6 12,-2.5 -2,-0.4 2,-0.4 -0.910 16.1-164.8-104.2 132.5 26.8 42.1 24.5 38 87 A H E -CD 48 203A 11 165,-2.8 165,-2.4 -2,-0.5 2,-0.5 -0.961 7.2-170.9-122.2 131.5 30.6 41.8 24.8 39 88 A V E -C 47 0A 6 8,-2.7 8,-2.4 -2,-0.4 2,-1.4 -0.994 20.1-144.0-122.3 126.3 33.0 42.0 22.0 40 89 A H E -C 46 0A 12 -2,-0.5 6,-0.2 6,-0.2 160,-0.1 -0.747 25.6-178.4 -84.2 90.1 36.7 41.1 22.6 41 90 A I - 0 0 30 -2,-1.4 2,-0.2 4,-0.9 -1,-0.2 0.808 59.6 -19.2 -73.7 -27.5 37.9 43.8 20.2 42 91 A N S S- 0 0 54 3,-1.2 -1,-0.0 -3,-0.1 153,-0.0 -0.864 86.6 -72.8-156.5-170.4 41.6 43.0 20.6 43 92 A H S S+ 0 0 98 -2,-0.2 151,-0.1 1,-0.2 -30,-0.1 0.832 128.4 27.7 -61.1 -30.9 43.9 41.2 23.0 44 93 A D S S+ 0 0 100 -31,-0.1 -31,-1.8 -32,-0.1 -30,-0.4 0.824 109.4 66.2 -99.0 -39.1 43.6 44.0 25.6 45 94 A D E -A 12 0A 21 -33,-0.2 -3,-1.2 -32,-0.1 -4,-0.9 -0.675 51.3-161.2-107.8 145.6 40.3 45.7 25.2 46 95 A C E -AC 11 40A 0 -35,-3.1 -35,-1.8 -2,-0.3 2,-0.5 -0.949 5.8-156.4-117.0 140.7 36.6 44.8 25.7 47 96 A L E -AC 10 39A 0 -8,-2.4 -8,-2.7 -2,-0.4 2,-0.4 -0.970 17.3-173.8-109.8 127.6 33.6 46.6 24.2 48 97 A E E -AC 9 38A 24 -39,-2.7 -39,-1.8 -2,-0.5 2,-0.5 -0.963 13.3-166.9-126.7 140.6 30.4 46.1 26.2 49 98 A I E -AC 8 37A 0 -12,-2.5 -12,-2.6 -2,-0.4 2,-0.5 -0.957 11.4-166.1-127.0 109.6 26.9 47.2 25.3 50 99 A A E -AC 7 36A 0 -43,-3.0 -43,-2.9 -2,-0.5 2,-0.5 -0.850 10.8-148.4-100.2 124.2 24.4 46.9 28.1 51 100 A V E -AC 6 35A 0 -16,-2.7 -17,-2.8 -2,-0.5 -16,-0.9 -0.848 22.3-167.2 -88.6 126.9 20.7 47.2 27.5 52 101 A L E -AC 5 33A 0 -47,-2.8 -47,-2.0 -2,-0.5 2,-0.4 -0.829 9.9-167.6-116.4 151.6 19.0 48.7 30.5 53 102 A K E +A 4 0A 111 -21,-2.5 2,-0.3 -2,-0.3 -49,-0.2 -0.996 40.4 55.9-141.6 132.3 15.3 49.0 31.5 54 103 A G E S-A 3 0A 10 -51,-2.6 -51,-1.1 -2,-0.4 2,-0.2 -0.978 86.3 -5.7 153.6-161.0 13.5 51.1 34.1 55 104 A D E > -A 2 0A 51 -2,-0.3 4,-2.6 -53,-0.2 -53,-0.3 -0.473 61.8-129.6 -61.3 135.4 13.0 54.6 35.5 56 105 A M H > S+ 0 0 14 -55,-3.1 4,-2.2 1,-0.2 5,-0.2 0.804 106.9 54.7 -65.5 -27.8 15.2 57.0 33.5 57 106 A G H > S+ 0 0 40 -56,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.946 111.7 44.2 -64.3 -47.8 16.6 58.6 36.7 58 107 A D H > S+ 0 0 91 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.933 114.3 49.9 -60.5 -45.0 17.7 55.1 37.9 59 108 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.927 112.6 46.3 -63.9 -44.8 19.1 54.1 34.5 60 109 A Q H X S+ 0 0 91 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.857 111.2 51.6 -67.2 -35.0 21.1 57.4 34.2 61 110 A H H X S+ 0 0 117 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.922 111.5 48.5 -67.1 -41.4 22.4 57.1 37.8 62 111 A F H X S+ 0 0 4 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.952 112.1 48.1 -61.7 -50.1 23.5 53.6 37.0 63 112 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.917 108.5 54.5 -57.5 -45.6 25.2 54.6 33.8 64 113 A D H X S+ 0 0 102 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.905 107.4 51.1 -52.3 -44.1 27.0 57.5 35.4 65 114 A D H < S+ 0 0 74 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.889 111.0 46.8 -67.6 -40.4 28.5 55.2 38.0 66 115 A V H >< S+ 0 0 6 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.968 115.3 45.8 -61.7 -52.1 29.8 52.8 35.4 67 116 A I H 3< S+ 0 0 60 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.796 104.7 64.1 -64.0 -26.6 31.3 55.6 33.3 68 117 A A T 3< S+ 0 0 75 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.3 0.562 77.9 105.8 -75.9 -10.9 32.8 57.2 36.4 69 118 A Q S X S- 0 0 58 -3,-1.6 3,-1.9 -4,-0.4 2,-0.2 -0.545 80.9-114.3 -71.1 130.6 35.1 54.3 37.1 70 119 A R T 3 S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.482 104.7 34.7 -60.7 132.8 38.7 55.0 36.2 71 120 A G T 3 S+ 0 0 20 1,-0.4 2,-0.6 -2,-0.2 -59,-0.4 0.183 86.8 115.0 101.3 -16.4 39.7 52.7 33.3 72 121 A V < - 0 0 19 -3,-1.9 -1,-0.4 -5,-0.2 2,-0.3 -0.796 47.6-174.6 -85.8 124.8 36.2 52.9 31.6 73 122 A R E +B 10 0A 54 -63,-3.2 -63,-2.6 -2,-0.6 -4,-0.0 -0.839 53.6 17.5-120.6 155.7 36.6 54.6 28.3 74 123 A H E S- 0 0 75 -2,-0.3 -1,-0.2 -65,-0.2 -66,-0.1 0.769 75.1-175.9 57.9 30.1 34.3 55.8 25.6 75 124 A G E + 0 0 31 -3,-0.2 2,-0.3 -8,-0.2 -66,-0.2 -0.331 5.8 175.0 -60.2 133.5 31.3 55.6 27.9 76 125 A H E -B 8 0A 48 -68,-2.5 -68,-2.6 -2,-0.1 2,-0.4 -0.999 17.1-164.2-147.3 138.6 28.1 56.4 26.0 77 126 A L E -B 7 0A 45 -2,-0.3 2,-0.5 -70,-0.2 -70,-0.2 -0.986 4.7-170.5-129.7 133.4 24.4 56.4 26.9 78 127 A Q E -B 6 0A 16 -72,-2.3 -72,-2.3 -2,-0.4 2,-0.5 -0.979 18.6-151.2-117.9 115.7 21.4 56.5 24.6 79 128 A C E -B 5 0A 48 -2,-0.5 -74,-0.2 -74,-0.2 -2,-0.0 -0.757 13.2-173.3 -94.1 133.3 18.1 57.0 26.5 80 129 A L E -B 4 0A 14 -76,-3.1 -76,-2.3 -2,-0.5 3,-0.1 -0.687 12.5-166.4-123.0 77.8 14.9 55.6 25.1 81 130 A P E -B 3 0A 57 0, 0.0 -78,-0.3 0, 0.0 -26,-0.1 -0.254 40.1 -80.0 -68.1 151.5 12.0 56.9 27.3 82 131 A K 0 0 158 -80,-3.2 -79,-0.0 1,-0.1 -80,-0.0 -0.232 360.0 360.0 -52.9 132.3 8.6 55.2 27.0 83 132 A E 0 0 135 -3,-0.1 -1,-0.1 0, 0.0 -3,-0.0 -0.604 360.0 360.0 -90.3 360.0 6.7 56.6 24.0 84 !* 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 85 50 B T 0 0 124 0, 0.0 55,-2.6 0, 0.0 56,-0.4 0.000 360.0 360.0 360.0 128.7 40.5 55.4 9.5 86 51 B Q E +H 139 0B 108 53,-0.3 80,-2.7 54,-0.1 2,-0.3 -0.627 360.0 114.3 -98.4 161.9 39.3 52.0 10.9 87 52 B G E -HI 138 165B 8 51,-2.0 51,-2.4 78,-0.3 2,-0.3 -0.988 53.0 -74.3 173.6-159.1 37.4 51.3 14.0 88 53 B F E -HI 137 164B 27 76,-2.5 76,-3.2 -2,-0.3 2,-0.3 -0.796 34.7-172.3-120.2 161.7 34.2 49.9 15.6 89 54 B A E -HI 136 163B 0 47,-2.1 47,-3.0 -2,-0.3 2,-0.5 -0.993 19.9-138.1-152.5 157.3 30.8 51.4 15.9 90 55 B V E -HI 135 162B 4 72,-2.6 72,-2.7 -2,-0.3 2,-0.5 -0.981 19.4-170.9-119.7 115.4 27.4 50.7 17.6 91 56 B L E +HI 134 161B 0 43,-2.9 43,-3.5 -2,-0.5 2,-0.3 -0.947 10.2 178.3-108.3 122.5 24.3 51.4 15.5 92 57 B S E +HI 133 160B 2 68,-2.6 68,-2.4 -2,-0.5 2,-0.3 -0.909 6.9 154.7-125.5 153.7 21.0 51.2 17.3 93 58 B Y E -H 132 0B 0 39,-2.0 39,-2.7 -2,-0.3 2,-0.4 -0.980 30.6-129.4-167.6 164.5 17.5 51.7 16.2 94 59 B V E +HI 131 157B 4 63,-2.9 63,-3.0 -2,-0.3 2,-0.3 -0.962 29.8 166.2-124.4 136.0 13.9 50.9 17.0 95 60 B Y E -H 130 0B 7 35,-2.0 35,-2.8 -2,-0.4 2,-0.6 -0.980 40.3-105.0-145.3 164.1 11.3 49.5 14.5 96 61 B E E -H 129 0B 77 59,-0.4 7,-0.2 -2,-0.3 33,-0.2 -0.808 23.3-152.8 -90.0 116.6 7.9 47.9 14.3 97 62 B H S S+ 0 0 7 31,-1.3 176,-0.2 -2,-0.6 6,-0.2 0.750 94.1 53.3 -65.6 -24.5 8.3 44.2 13.5 98 63 B E S S+ 0 0 123 30,-0.5 2,-2.5 1,-0.2 -1,-0.2 0.934 96.3 64.9 -71.4 -50.8 4.8 44.1 11.8 99 64 B K S S+ 0 0 114 1,-0.2 -3,-0.2 2,-0.1 -1,-0.2 -0.500 84.6 143.5 -68.2 77.4 5.5 47.0 9.5 100 65 B R > + 0 0 15 -2,-2.5 4,-0.8 2,-0.2 -1,-0.2 -0.199 32.3 93.2-147.7 45.6 8.1 44.7 8.1 101 66 B D H > S+ 0 0 87 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.395 105.0 59.5 -72.4 -19.4 9.0 44.5 4.5 102 67 B L H > S+ 0 0 17 2,-0.2 4,-3.2 3,-0.2 -2,-0.2 0.928 97.9 50.9 -65.4 -52.5 11.2 46.9 6.5 103 68 B A H > S+ 0 0 5 -7,-0.2 4,-2.1 1,-0.2 5,-0.3 0.932 112.2 48.5 -49.5 -50.2 12.3 44.1 8.8 104 69 B S H X S+ 0 0 48 -4,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.898 113.1 47.7 -57.5 -42.2 13.2 42.1 5.7 105 70 B R H X S+ 0 0 37 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.878 108.5 53.6 -68.5 -39.0 15.0 45.2 4.3 106 71 B I H X S+ 0 0 4 -4,-3.2 4,-1.7 2,-0.2 -2,-0.2 0.941 114.5 40.5 -61.4 -48.1 17.0 45.9 7.5 107 72 B V H X S+ 0 0 14 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.918 112.6 57.5 -68.9 -38.2 18.3 42.3 7.6 108 73 B S H X S+ 0 0 28 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.911 107.6 45.4 -58.4 -47.6 18.9 42.3 3.9 109 74 B T H X S+ 0 0 23 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.905 108.9 56.1 -68.4 -35.9 21.2 45.4 3.9 110 75 B Q H < S+ 0 0 3 -4,-1.7 7,-0.3 -5,-0.2 -1,-0.2 0.927 110.5 46.5 -58.1 -39.0 23.2 44.0 6.8 111 76 B H H >< S+ 0 0 3 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.883 107.3 54.6 -72.3 -35.7 23.8 40.9 4.8 112 77 B H H 3< S+ 0 0 123 -4,-2.2 -1,-0.2 1,-0.3 3,-0.2 0.843 120.7 35.0 -61.2 -33.1 24.8 42.9 1.7 113 78 B H T >X S+ 0 0 74 -4,-2.0 3,-2.2 -5,-0.2 4,-0.6 -0.120 76.3 138.2-108.7 35.7 27.3 44.6 3.9 114 79 B H G X4 + 0 0 54 -3,-1.5 3,-0.6 1,-0.3 -1,-0.1 0.739 60.4 72.0 -67.8 -13.1 28.1 41.6 6.1 115 80 B D G 34 S+ 0 0 123 1,-0.2 -1,-0.3 -3,-0.2 22,-0.1 0.828 101.3 47.7 -60.9 -27.8 31.9 42.5 6.1 116 81 B L G <4 S+ 0 0 7 -3,-2.2 21,-2.7 -6,-0.2 2,-0.3 0.675 96.2 92.6 -82.7 -22.4 31.0 45.4 8.3 117 82 B S E << +J 136 0B 23 -4,-0.6 19,-0.2 -3,-0.6 3,-0.1 -0.625 37.3 167.7 -86.3 133.3 28.8 43.4 10.7 118 83 B V E - 0 0 22 17,-2.9 2,-0.3 1,-0.4 171,-0.2 0.815 68.0 -46.5 -95.2 -69.1 30.1 41.8 13.9 119 84 B A E -J 135 0B 0 16,-0.8 16,-2.8 169,-0.1 2,-0.4 -0.965 47.9-134.1-160.3 159.3 26.9 40.8 15.6 120 85 B T E -JK 134 287B 2 167,-2.7 167,-3.0 -2,-0.3 2,-0.4 -0.975 8.5-151.2-122.6 137.2 23.4 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