==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-APR-13 4K6X . COMPND 2 MOLECULE: DISULFIDE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.PREMKUMAR,J.L.MARTIN . 398 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 2 0.5 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 . 36 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.5 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 1 3 2 0 0 0 1 4 2 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 57 A P > 0 0 96 0, 0.0 2,-0.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -6.5 -45.2 -30.1 6.8 2 58 A G T 3 + 0 0 70 1,-0.2 4,-0.1 2,-0.0 0, 0.0 -0.573 360.0 7.6 80.7-113.4 -45.4 -33.9 6.8 3 59 A D T 3 S+ 0 0 67 -2,-0.6 59,-0.3 2,-0.1 -1,-0.2 0.256 112.9 95.2 -89.8 7.8 -42.9 -35.7 9.0 4 60 A A S < S- 0 0 15 -3,-0.5 2,-0.6 57,-0.1 57,-0.2 -0.633 77.6-121.7 -98.5 159.4 -41.7 -32.4 10.5 5 61 A V E -A 60 0A 10 55,-2.9 55,-2.9 -2,-0.2 2,-0.6 -0.918 31.5-146.5 -96.6 119.7 -42.6 -30.6 13.7 6 62 A R E -A 59 0A 77 -2,-0.6 2,-0.5 53,-0.2 53,-0.2 -0.803 12.1-165.3 -94.7 122.8 -43.8 -27.2 12.6 7 63 A V E +A 58 0A 2 51,-3.2 51,-2.5 -2,-0.6 2,-0.3 -0.924 23.7 145.1-110.3 119.8 -43.1 -24.3 15.0 8 64 A T - 0 0 56 -2,-0.5 2,-0.3 49,-0.2 49,-0.1 -0.914 33.4-135.6-143.2 170.4 -44.9 -21.1 14.5 9 65 A S > - 0 0 24 42,-0.5 3,-2.0 -2,-0.3 43,-0.0 -0.789 37.6 -96.0-124.3 170.5 -46.4 -18.2 16.5 10 66 A S T 3 S+ 0 0 134 1,-0.3 42,-0.1 -2,-0.3 43,-0.1 0.648 121.1 61.0 -57.9 -18.7 -49.6 -16.3 16.4 11 67 A K T 3 S+ 0 0 152 41,-0.3 -1,-0.3 40,-0.2 41,-0.1 0.490 72.1 144.2 -90.8 -4.6 -47.9 -13.6 14.4 12 68 A L < - 0 0 40 -3,-2.0 2,-0.4 1,-0.1 43,-0.2 -0.008 46.1-135.9 -39.0 123.9 -46.9 -15.9 11.4 13 69 A V - 0 0 38 41,-2.9 9,-2.3 10,-0.1 10,-0.5 -0.749 26.2-166.2 -88.1 136.6 -47.1 -14.0 8.1 14 70 A T B -E 21 0B 52 -2,-0.4 3,-0.1 7,-0.3 5,-0.1 -0.781 27.9 -88.6-122.5 159.9 -48.8 -16.0 5.4 15 71 A Q > - 0 0 86 5,-2.9 3,-2.2 -2,-0.3 5,-0.3 -0.442 62.1 -85.5 -67.0 141.4 -49.1 -15.8 1.6 16 72 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.206 113.3 11.6 -49.8 130.2 -52.1 -13.7 0.5 17 73 A G T 3 S+ 0 0 92 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.349 121.9 69.7 86.2 -5.1 -55.3 -15.6 0.3 18 74 A T S < S- 0 0 61 -3,-2.2 -1,-0.3 2,-0.2 -4,-0.1 -0.764 77.8-125.7-135.2 177.0 -53.9 -18.6 2.1 19 75 A S S S+ 0 0 102 -2,-0.2 3,-0.0 -3,-0.1 -2,-0.0 0.004 70.0 123.5-111.9 20.8 -52.6 -19.8 5.5 20 76 A N S S- 0 0 83 -5,-0.3 -5,-2.9 1,-0.1 -2,-0.2 -0.709 70.4-111.5 -81.9 132.2 -49.3 -20.9 4.0 21 77 A P B -E 14 0B 8 0, 0.0 -7,-0.3 0, 0.0 3,-0.2 -0.335 14.0-136.2 -58.9 144.1 -46.3 -19.3 5.7 22 78 A K S S+ 0 0 75 -9,-2.3 2,-0.4 1,-0.2 -8,-0.1 0.859 93.2 28.5 -64.0 -36.0 -44.5 -16.8 3.5 23 79 A A - 0 0 0 -10,-0.5 34,-2.2 32,-0.3 2,-0.5 -0.979 66.2-174.2-135.7 123.5 -41.2 -18.4 4.6 24 80 A V E -b 57 0A 21 -2,-0.4 140,-3.2 32,-0.2 2,-0.6 -0.967 7.6-162.5-116.8 123.1 -40.5 -21.9 5.8 25 81 A V E -bC 58 163A 2 32,-2.8 34,-2.8 -2,-0.5 2,-0.5 -0.942 13.5-158.4-103.8 117.4 -37.1 -22.8 7.2 26 82 A S E -bC 59 162A 16 136,-2.4 136,-2.4 -2,-0.6 2,-0.4 -0.878 6.5-168.0 -99.8 127.6 -36.7 -26.6 7.1 27 83 A F E -bC 60 161A 1 32,-3.0 34,-2.7 -2,-0.5 2,-0.5 -0.959 9.0-169.1-116.8 130.6 -34.1 -28.3 9.4 28 84 A Y E +bC 61 160A 29 132,-2.3 132,-2.1 -2,-0.4 2,-0.3 -0.991 28.2 162.1-119.2 118.8 -33.1 -31.9 9.1 29 85 A E E -b 62 0A 1 32,-2.2 34,-2.0 -2,-0.5 2,-0.4 -0.897 36.4-147.3-142.3 157.0 -31.0 -32.8 12.2 30 86 A D > - 0 0 0 -2,-0.3 3,-1.5 32,-0.2 6,-0.2 -0.999 20.9-138.6-129.1 127.5 -29.7 -35.8 14.3 31 87 A F T 3 S+ 0 0 0 32,-0.5 33,-0.1 -2,-0.4 44,-0.1 0.687 104.1 49.2 -67.4 -13.8 -29.5 -35.3 18.0 32 88 A L T 3 S+ 0 0 1 74,-0.1 -1,-0.3 4,-0.0 77,-0.1 0.579 83.3 107.8 -96.6 -9.0 -26.1 -37.1 18.1 33 89 A a X> - 0 0 8 -3,-1.5 4,-1.2 1,-0.2 3,-1.1 -0.564 60.0-151.7 -77.0 112.1 -24.6 -35.1 15.2 34 90 A P H 3> S+ 0 0 62 0, 0.0 4,-2.2 0, 0.0 3,-0.5 0.862 94.7 53.2 -53.7 -40.8 -21.9 -32.7 16.6 35 91 A A H 3> S+ 0 0 28 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.833 105.1 56.0 -62.9 -31.1 -22.3 -30.2 13.8 36 92 A a H <> S+ 0 0 0 -3,-1.1 4,-2.0 2,-0.2 -1,-0.3 0.787 105.7 52.2 -72.2 -28.9 -26.0 -30.1 14.5 37 93 A G H X S+ 0 0 0 -4,-1.2 4,-2.4 -3,-0.5 -2,-0.2 0.939 112.3 43.9 -68.7 -48.1 -25.2 -29.2 18.1 38 94 A I H X S+ 0 0 20 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.941 114.3 51.3 -63.1 -45.6 -22.9 -26.3 17.1 39 95 A F H X S+ 0 0 3 -4,-2.7 4,-2.7 1,-0.2 5,-0.4 0.929 112.7 44.0 -56.8 -48.1 -25.4 -25.1 14.5 40 96 A E H X S+ 0 0 12 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.874 111.9 51.8 -72.2 -35.7 -28.3 -25.1 16.9 41 97 A R H < S+ 0 0 45 -4,-2.4 -1,-0.2 60,-0.2 -2,-0.2 0.827 118.7 40.0 -65.2 -27.6 -26.4 -23.4 19.7 42 98 A G H < S+ 0 0 9 -4,-1.8 -2,-0.2 -5,-0.2 4,-0.2 0.795 129.5 24.5 -91.6 -28.6 -25.4 -20.8 17.1 43 99 A F H X S+ 0 0 7 -4,-2.7 4,-2.8 -5,-0.2 3,-0.3 0.609 97.2 88.0-110.4 -21.9 -28.7 -20.3 15.2 44 100 A G H X S+ 0 0 11 -4,-1.9 4,-2.8 -5,-0.4 5,-0.2 0.897 88.5 50.0 -51.7 -49.7 -31.3 -21.4 17.6 45 101 A P H > S+ 0 0 8 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.904 113.7 46.3 -59.2 -38.9 -31.8 -18.0 19.3 46 102 A T H > S+ 0 0 1 -3,-0.3 4,-2.5 150,-0.2 -2,-0.2 0.918 112.7 48.9 -67.4 -43.2 -32.2 -16.3 15.9 47 103 A V H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.906 109.4 53.6 -65.3 -37.5 -34.6 -18.9 14.6 48 104 A S H X S+ 0 0 30 -4,-2.8 4,-2.8 -5,-0.3 -1,-0.2 0.931 110.5 45.9 -62.8 -43.0 -36.6 -18.6 17.8 49 105 A K H X S+ 0 0 76 -4,-1.9 4,-2.5 -5,-0.2 6,-0.3 0.909 110.7 53.9 -65.0 -40.1 -36.9 -14.8 17.4 50 106 A L H <>S+ 0 0 1 -4,-2.5 5,-1.7 2,-0.2 6,-1.3 0.895 111.8 45.7 -59.3 -41.6 -37.8 -15.3 13.7 51 107 A V H ><5S+ 0 0 2 -4,-2.4 3,-1.4 4,-0.2 -42,-0.5 0.954 112.9 49.4 -63.1 -52.4 -40.6 -17.6 14.7 52 108 A D H 3<5S+ 0 0 69 -4,-2.8 -41,-0.3 1,-0.3 -2,-0.2 0.837 109.0 49.8 -65.7 -32.8 -41.9 -15.4 17.4 53 109 A I T 3<5S- 0 0 18 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.537 116.8-115.6 -78.4 -6.1 -42.0 -12.2 15.3 54 110 A G T < 5S+ 0 0 0 -3,-1.4 -41,-2.9 -4,-0.3 -3,-0.2 0.537 79.9 125.4 90.8 7.5 -43.9 -14.3 12.7 55 111 A A S + 0 0 11 82,-0.7 3,-1.8 -34,-0.1 12,-0.2 -0.216 47.0 140.0-134.4 41.1 -31.6 -40.9 13.3 65 121 A I T 3 S+ 0 0 68 1,-0.3 -1,-0.1 10,-0.1 -35,-0.0 0.812 74.4 50.5 -57.3 -35.1 -28.9 -41.5 10.8 66 122 A L T 3 S+ 0 0 51 -3,-0.1 -1,-0.3 2,-0.0 9,-0.1 0.470 81.0 131.6 -84.4 0.1 -26.2 -41.9 13.5 67 123 A D < + 0 0 34 -3,-1.8 2,-0.3 6,-0.1 3,-0.1 -0.211 26.0 147.5 -61.7 135.2 -28.2 -44.5 15.5 68 124 A S > > - 0 0 48 1,-0.1 5,-2.6 3,-0.0 3,-0.9 -0.989 61.2-112.0-159.6 161.5 -26.3 -47.6 16.5 69 125 A A G > 5S+ 0 0 73 -2,-0.3 3,-2.0 1,-0.2 -1,-0.1 0.860 116.1 65.7 -61.7 -33.4 -26.0 -50.2 19.2 70 126 A S G 3 5S+ 0 0 96 1,-0.3 -1,-0.2 2,-0.1 -3,-0.1 0.733 104.8 42.8 -63.8 -24.0 -22.6 -48.6 20.0 71 127 A N G X 5S- 0 0 8 -3,-0.9 3,-1.9 -5,-0.1 -1,-0.3 0.054 119.5-108.4-107.1 26.5 -24.4 -45.4 21.1 72 128 A Q T < 5 - 0 0 85 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.851 67.2 -71.4 53.0 34.9 -27.1 -47.3 23.0 73 129 A H T 3> + 0 0 0 -3,-1.9 4,-3.0 -6,-0.3 5,-0.3 0.884 62.3 58.0 -62.4 -42.3 -29.4 -42.6 21.4 75 131 A S H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -44,-0.3 0.942 114.3 37.3 -58.5 -47.4 -30.0 -41.0 18.0 76 132 A S H > S+ 0 0 2 -12,-0.2 4,-2.9 2,-0.2 5,-0.3 0.932 117.3 49.8 -71.6 -46.1 -33.3 -42.8 17.5 77 133 A R H X S+ 0 0 34 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.898 113.3 47.4 -60.2 -38.6 -34.4 -42.7 21.2 78 134 A A H X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.2 0.935 114.3 45.2 -69.1 -47.7 -33.7 -38.9 21.3 79 135 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.944 114.6 48.5 -59.5 -48.3 -35.5 -38.1 18.0 80 136 A A H X S+ 0 0 5 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.912 109.0 53.9 -60.4 -42.9 -38.4 -40.3 19.0 81 137 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.881 105.8 54.2 -55.3 -39.6 -38.6 -38.6 22.4 82 138 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.907 107.4 48.7 -65.4 -41.5 -38.7 -35.2 20.6 83 139 A Y H X S+ 0 0 10 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.882 109.9 53.3 -63.5 -36.1 -41.7 -36.3 18.6 84 140 A b H X S+ 0 0 2 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.915 109.7 48.4 -61.5 -45.7 -43.4 -37.6 21.8 85 141 A V H >X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 3,-1.1 0.918 107.5 54.6 -59.8 -44.4 -42.8 -34.1 23.4 86 142 A A H 3< S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.818 99.9 61.1 -65.1 -31.1 -44.3 -32.3 20.3 87 143 A D H 3< S+ 0 0 93 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.815 112.6 38.6 -59.2 -31.9 -47.5 -34.4 20.6 88 144 A E H << S- 0 0 80 -3,-1.1 2,-0.3 -4,-0.8 -2,-0.2 0.884 135.3 -11.9 -87.1 -42.3 -47.9 -32.9 24.1 89 145 A S X - 0 0 32 -4,-2.6 4,-2.4 1,-0.1 -1,-0.3 -0.859 39.8-152.5-166.1 124.9 -46.8 -29.3 23.4 90 146 A I H > S+ 0 0 67 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.885 104.1 55.5 -63.0 -38.1 -45.0 -27.4 20.6 91 147 A E H > S+ 0 0 133 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.933 109.8 45.8 -62.2 -43.0 -43.7 -24.9 23.2 92 148 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.905 108.3 57.1 -66.7 -39.9 -42.2 -27.7 25.2 93 149 A F H X S+ 0 0 1 -4,-2.4 4,-3.1 -8,-0.3 5,-0.3 0.910 102.8 54.7 -55.0 -43.0 -40.8 -29.2 22.0 94 150 A R H X S+ 0 0 59 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.942 113.8 41.1 -56.3 -44.4 -38.9 -25.9 21.3 95 151 A R H X S+ 0 0 122 -4,-1.5 4,-2.7 32,-0.2 -2,-0.2 0.885 116.9 47.9 -71.2 -40.0 -37.3 -26.1 24.8 96 152 A F H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.927 111.2 49.9 -68.8 -47.9 -36.6 -29.9 24.6 97 153 A H H X S+ 0 0 6 -4,-3.1 4,-0.9 -5,-0.2 -1,-0.2 0.916 114.6 45.1 -57.1 -44.2 -35.1 -29.6 21.1 98 154 A A H >< S+ 0 0 39 -4,-1.9 3,-0.7 -5,-0.3 4,-0.4 0.928 111.5 53.8 -65.3 -44.3 -32.8 -26.8 22.2 99 155 A A H >< S+ 0 0 32 -4,-2.7 3,-1.6 1,-0.2 6,-0.4 0.908 102.9 55.3 -59.3 -43.3 -31.9 -28.6 25.5 100 156 A L H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.791 110.3 47.2 -65.1 -21.9 -30.8 -31.8 23.7 101 157 A F T << S+ 0 0 2 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.381 89.0 113.1 -98.1 3.0 -28.3 -29.7 21.6 102 158 A S S <> S- 0 0 33 -3,-1.6 4,-2.9 -4,-0.4 3,-0.5 -0.374 79.8-114.9 -70.5 160.1 -27.0 -27.8 24.6 103 159 A K T 4 S+ 0 0 112 1,-0.2 -1,-0.1 2,-0.2 -4,-0.0 0.858 114.1 55.1 -64.3 -36.5 -23.4 -28.3 25.6 104 160 A D T 4 S+ 0 0 158 1,-0.1 -1,-0.2 -5,-0.0 -4,-0.1 0.841 120.7 26.7 -64.8 -34.7 -24.4 -29.8 29.0 105 161 A I T 4 S+ 0 0 25 -3,-0.5 -2,-0.2 -6,-0.4 -1,-0.1 0.830 87.2 98.7-103.7 -40.5 -26.6 -32.5 27.4 106 162 A Q S < S- 0 0 31 -4,-2.9 -5,-0.1 -7,-0.2 -74,-0.1 -0.334 70.8-132.1 -62.6 122.2 -25.5 -33.5 23.9 107 163 A P - 0 0 19 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.364 21.6 -94.9 -77.0 154.7 -23.5 -36.7 24.3 108 164 A A > - 0 0 72 5,-0.2 3,-2.0 1,-0.1 5,-0.2 -0.473 35.5-129.6 -59.5 128.7 -20.1 -37.4 22.7 109 165 A E T 3 S+ 0 0 80 1,-0.3 -1,-0.1 -2,-0.2 -76,-0.0 0.888 105.9 32.0 -52.1 -44.4 -20.7 -39.3 19.5 110 166 A L T 3 S+ 0 0 139 -39,-0.0 -1,-0.3 2,-0.0 -2,-0.1 0.011 96.1 127.2-103.1 25.3 -18.3 -42.1 20.4 111 167 A G < - 0 0 23 -3,-2.0 3,-0.1 2,-0.1 0, 0.0 -0.076 65.0-120.8 -79.6-174.4 -18.7 -42.0 24.1 112 168 A K S S+ 0 0 182 1,-0.1 2,-0.3 -41,-0.1 -1,-0.1 0.260 90.0 41.4-113.2 3.7 -19.6 -44.8 26.5 113 169 A D - 0 0 125 -5,-0.2 -5,-0.2 -42,-0.0 -1,-0.1 -0.980 58.6-179.4-152.7 149.2 -22.7 -43.5 28.0 114 170 A F - 0 0 3 -2,-0.3 -8,-0.1 -7,-0.1 -42,-0.0 -0.962 46.3 -77.7-143.9 150.1 -25.8 -41.7 26.6 115 171 A P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 -37,-0.1 -0.286 51.1-144.1 -49.0 125.6 -29.0 -40.4 28.2 116 172 A D > - 0 0 95 1,-0.1 4,-2.3 -39,-0.0 5,-0.2 -0.282 32.3 -89.8 -83.7 179.3 -31.3 -43.3 28.8 117 173 A N H > S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 127.9 55.1 -59.3 -39.5 -35.1 -43.1 28.5 118 174 A A H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 109.3 48.5 -57.2 -42.1 -35.5 -42.1 32.1 119 175 A R H > S+ 0 0 95 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.912 109.6 51.3 -67.3 -42.2 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5.8