==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 07-OCT-10 3P4X . COMPND 2 MOLECULE: REVERSE GYRASE HELICASE-LIKE DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.G.RUDOLPH,D.KLOSTERMEIER . 809 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 613 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 117 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 68 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 312 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 5 0 2 0 1 3 4 4 3 5 3 4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 5 6 8 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 59 A E 0 0 92 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -60.7 -11.6 -36.5 10.1 2 60 A F > + 0 0 117 2,-0.1 4,-1.8 3,-0.1 5,-0.1 0.779 360.0 51.6-109.2 -39.1 -9.3 -39.5 10.2 3 61 A W H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.846 106.5 57.7 -67.1 -33.3 -9.8 -41.3 6.9 4 62 A N H > S+ 0 0 109 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.933 105.8 48.5 -63.6 -47.0 -9.2 -38.0 5.1 5 63 A E H > S+ 0 0 73 -4,-0.3 4,-2.3 2,-0.2 5,-0.2 0.936 109.3 52.7 -55.9 -51.4 -5.8 -37.5 6.6 6 64 A Y H X S+ 0 0 8 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.918 111.5 46.6 -51.4 -48.0 -4.8 -41.1 5.7 7 65 A E H X S+ 0 0 55 -4,-2.2 4,-3.5 2,-0.2 5,-0.3 0.912 105.9 57.1 -66.1 -43.6 -5.8 -40.5 2.1 8 66 A D H X S+ 0 0 72 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.925 113.1 42.8 -48.0 -46.3 -4.0 -37.2 1.9 9 67 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.939 111.6 54.7 -64.6 -48.9 -0.9 -39.2 2.9 10 68 A R H X S+ 0 0 12 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.921 112.6 42.5 -47.7 -54.5 -1.9 -42.0 0.5 11 69 A S H X S+ 0 0 67 -4,-3.5 4,-2.7 1,-0.2 -1,-0.2 0.929 112.8 53.3 -59.7 -49.5 -2.1 -39.6 -2.4 12 70 A F H X S+ 0 0 10 -4,-2.3 4,-2.8 -5,-0.3 5,-0.3 0.896 110.4 47.1 -54.2 -47.6 1.1 -37.7 -1.4 13 71 A F H X>S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 5,-0.7 0.971 111.1 50.2 -59.4 -58.6 3.1 -40.9 -1.2 14 72 A K H X5S+ 0 0 110 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.930 115.6 44.6 -41.3 -56.2 1.9 -42.2 -4.6 15 73 A K H <5S+ 0 0 171 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.931 119.4 37.1 -59.1 -55.8 2.7 -38.9 -6.2 16 74 A K H <5S+ 0 0 54 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.911 123.8 39.2 -69.1 -44.2 6.2 -38.3 -4.7 17 75 A F H <5S- 0 0 79 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.912 100.4-126.6 -76.6 -42.0 7.5 -41.8 -4.7 18 76 A G S < - 0 0 51 -2,-0.3 4,-1.9 24,-0.1 5,-0.2 -0.364 30.1 -98.0 -77.0 166.6 2.6 -51.7 0.2 23 81 A G H > S+ 0 0 13 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.934 128.6 44.8 -47.8 -49.3 0.4 -53.7 2.5 24 82 A Y H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.941 110.8 51.4 -64.7 -47.5 2.9 -52.9 5.2 25 83 A Q H > S+ 0 0 10 21,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.708 108.7 54.1 -62.9 -20.2 3.3 -49.2 4.4 26 84 A R H X S+ 0 0 11 -4,-1.9 4,-1.6 -3,-0.4 -1,-0.2 0.901 107.7 47.5 -80.7 -42.0 -0.5 -48.8 4.5 27 85 A L H X S+ 0 0 18 -4,-1.7 4,-1.4 -5,-0.2 -2,-0.2 0.925 115.3 47.3 -59.9 -46.7 -0.9 -50.3 8.0 28 86 A W H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.866 106.9 56.2 -61.1 -44.1 1.9 -48.1 9.2 29 87 A A H X S+ 0 0 0 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.855 104.0 52.8 -63.0 -40.3 0.6 -44.9 7.6 30 88 A K H X S+ 0 0 57 -4,-1.6 4,-1.8 2,-0.2 3,-0.3 0.915 109.1 51.2 -60.4 -44.5 -2.8 -45.2 9.4 31 89 A R H ><>S+ 0 0 47 -4,-1.4 5,-2.4 1,-0.2 3,-0.5 0.957 107.6 51.1 -54.5 -52.8 -0.9 -45.5 12.7 32 90 A I H ><5S+ 0 0 8 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.741 106.5 56.6 -65.1 -21.0 1.1 -42.4 11.9 33 91 A V H 3<5S+ 0 0 34 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.869 107.5 46.0 -74.3 -39.6 -2.2 -40.6 11.2 34 92 A Q T <<5S- 0 0 62 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.2 0.187 121.4-114.9 -84.7 17.4 -3.5 -41.4 14.6 35 93 A G T < 5 + 0 0 29 -3,-0.6 2,-0.3 1,-0.2 -3,-0.2 0.852 59.8 162.2 53.2 42.1 -0.1 -40.3 15.8 36 94 A K < - 0 0 15 -5,-2.4 2,-0.3 -6,-0.1 182,-0.2 -0.716 34.5-138.3 -96.4 141.2 0.9 -43.7 17.1 37 95 A S B +a 218 0A 2 180,-3.2 182,-0.7 -2,-0.3 2,-0.3 -0.727 34.6 169.6 -89.4 144.7 4.4 -44.8 17.8 38 96 A F E -b 196 0B 1 157,-0.9 159,-1.7 -2,-0.3 2,-0.5 -0.962 37.6-114.9-151.5 172.2 5.4 -48.3 16.7 39 97 A T E -b 197 0B 37 -2,-0.3 2,-0.8 157,-0.2 159,-0.2 -0.953 29.9-137.2-108.7 123.0 7.9 -51.0 16.1 40 98 A M E +b 198 0B 0 157,-3.3 159,-2.6 -2,-0.5 2,-0.5 -0.725 26.1 175.5 -80.0 110.0 8.4 -52.0 12.5 41 99 A V E +b 199 0B 70 -2,-0.8 159,-0.1 157,-0.2 -2,-0.0 -0.983 26.7 116.9-114.5 124.3 8.7 -55.8 12.3 42 100 A A - 0 0 9 157,-0.6 710,-0.1 -2,-0.5 160,-0.1 -0.906 66.3 -87.9-177.4 147.3 9.0 -57.1 8.8 43 101 A P > - 0 0 48 0, 0.0 3,-1.4 0, 0.0 2,-0.8 -0.296 61.4 -85.0 -63.9 158.4 11.5 -58.9 6.6 44 102 A T T 3 S+ 0 0 142 1,-0.2 156,-0.0 2,-0.1 0, 0.0 -0.555 115.1 41.0 -78.1 107.5 14.0 -56.8 4.7 45 103 A G T 3 S+ 0 0 73 -2,-0.8 -1,-0.2 -3,-0.1 0, 0.0 0.055 77.6 107.7 147.0 -20.4 12.6 -55.5 1.5 46 104 A V S < S- 0 0 25 -3,-1.4 -21,-0.3 1,-0.1 -22,-0.2 0.771 96.5 -93.8 -53.4 -36.9 9.0 -54.6 2.6 47 105 A G S > S+ 0 0 15 -23,-0.1 4,-1.6 -5,-0.1 5,-0.1 0.631 74.5 139.1 124.8 28.7 9.5 -50.8 2.5 48 106 A K H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.974 75.1 40.0 -66.6 -60.1 10.6 -49.6 6.0 49 107 A T H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.897 115.0 52.9 -57.2 -42.1 13.3 -47.1 5.2 50 108 A T H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 110.5 48.6 -65.2 -40.2 11.4 -45.6 2.2 51 109 A F H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.859 108.2 52.7 -61.5 -43.9 8.4 -45.2 4.4 52 110 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.889 112.5 47.1 -62.6 -38.4 10.3 -43.5 7.2 53 111 A M H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.917 112.5 47.0 -68.8 -45.2 11.7 -41.0 4.7 54 112 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.868 109.2 55.6 -67.4 -38.5 8.3 -40.3 3.0 55 113 A T H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.973 106.4 50.7 -53.7 -56.5 6.7 -39.8 6.4 56 114 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.921 111.3 49.9 -45.1 -49.8 9.4 -37.2 7.2 57 115 A L H < S+ 0 0 6 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.917 110.6 46.9 -59.1 -51.1 8.6 -35.5 3.9 58 116 A W H >X S+ 0 0 7 -4,-2.7 3,-1.5 1,-0.2 4,-0.8 0.918 112.2 50.4 -58.6 -46.5 4.9 -35.4 4.4 59 117 A L H 3<>S+ 0 0 5 -4,-2.9 5,-2.4 1,-0.3 3,-0.3 0.812 101.0 63.3 -63.6 -31.5 5.2 -34.0 8.0 60 118 A A T ><5S+ 0 0 9 -4,-1.9 3,-0.6 -5,-0.3 -1,-0.3 0.666 93.4 64.8 -65.0 -16.2 7.5 -31.3 6.7 61 119 A R T <45S+ 0 0 146 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.918 102.2 46.2 -70.5 -43.2 4.5 -30.1 4.7 62 120 A K T 3<5S- 0 0 83 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.296 125.7-108.4 -77.7 7.8 2.8 -29.3 8.0 63 121 A G T < 5S+ 0 0 38 -3,-0.6 -3,-0.2 1,-0.3 2,-0.1 0.548 71.8 148.8 77.1 6.5 6.1 -27.7 9.1 64 122 A K < - 0 0 83 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.3 -0.447 43.2-125.3 -76.7 147.1 6.7 -30.5 11.5 65 123 A K - 0 0 45 -2,-0.1 75,-1.6 73,-0.1 76,-1.0 -0.685 25.7-173.7-100.1 144.8 10.3 -31.6 12.2 66 124 A S E -cd 119 141B 0 52,-2.9 54,-1.8 -2,-0.3 2,-0.4 -0.919 13.8-157.0-131.9 159.3 11.8 -35.1 11.8 67 125 A A E -cd 120 142B 0 74,-1.8 76,-2.2 -2,-0.3 2,-0.5 -0.991 9.9-159.0-135.0 127.5 15.1 -36.8 12.5 68 126 A L E -cd 121 143B 1 52,-3.0 54,-2.7 -2,-0.4 2,-0.5 -0.943 8.0-164.3-114.9 129.6 16.2 -40.0 10.7 69 127 A V E +cd 122 144B 0 74,-2.7 76,-3.3 -2,-0.5 77,-0.4 -0.917 8.0 179.9-125.1 114.5 18.8 -42.3 12.3 70 128 A F E -c 123 0B 2 52,-2.1 54,-1.4 -2,-0.5 6,-0.0 -0.759 32.6-130.3-116.2 154.2 20.8 -45.0 10.6 71 129 A P S S+ 0 0 40 0, 0.0 2,-0.3 0, 0.0 52,-0.1 0.640 88.1 44.0 -74.8 -16.0 23.4 -47.5 11.8 72 130 A T S > S- 0 0 60 50,-0.1 4,-0.9 1,-0.1 -2,-0.1 -0.920 76.0-123.2-136.1 153.8 25.9 -46.7 8.9 73 131 A V H > S+ 0 0 51 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.792 109.5 59.5 -63.0 -30.5 27.4 -43.8 7.0 74 132 A T H > S+ 0 0 80 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.937 103.1 50.4 -68.4 -45.0 26.2 -45.2 3.7 75 133 A L H > S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.781 108.8 53.7 -61.7 -25.2 22.5 -45.1 4.7 76 134 A V H X S+ 0 0 0 -4,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.947 113.6 41.0 -77.0 -45.7 23.0 -41.5 5.8 77 135 A K H X S+ 0 0 88 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.970 116.9 49.2 -58.4 -59.4 24.4 -40.5 2.4 78 136 A Q H X S+ 0 0 107 -4,-3.4 4,-2.4 1,-0.2 5,-0.2 0.925 115.4 42.0 -47.5 -56.7 21.8 -42.6 0.5 79 137 A T H X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.929 114.1 52.4 -61.5 -45.5 18.8 -41.3 2.4 80 138 A L H X S+ 0 0 12 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.933 111.1 48.7 -52.9 -48.8 20.2 -37.7 2.3 81 139 A E H >X S+ 0 0 139 -4,-3.2 4,-1.5 1,-0.2 3,-1.2 0.985 112.8 44.8 -54.8 -65.7 20.6 -38.0 -1.5 82 140 A R H 3X S+ 0 0 62 -4,-2.4 4,-1.6 1,-0.3 3,-0.4 0.873 111.3 56.3 -42.5 -47.8 17.1 -39.4 -2.2 83 141 A L H 3X S+ 0 0 0 -4,-2.7 4,-1.0 -5,-0.2 -1,-0.3 0.814 106.3 48.1 -61.3 -33.1 15.6 -36.8 0.2 84 142 A Q H << S+ 0 0 109 -4,-1.5 -1,-0.2 -3,-1.2 -2,-0.2 0.744 111.3 48.8 -87.2 -21.0 17.1 -33.9 -1.7 85 143 A K H < S+ 0 0 154 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.763 116.6 45.0 -78.5 -29.4 16.0 -35.0 -5.1 86 144 A L H < S+ 0 0 25 -4,-1.6 -2,-0.2 -5,-0.3 2,-0.2 0.635 95.5 93.8 -90.4 -17.9 12.5 -35.7 -3.8 87 145 A A S < S- 0 0 19 -4,-1.0 2,-0.5 -5,-0.2 6,-0.0 -0.459 79.7-114.0 -86.3 148.7 11.9 -32.5 -1.8 88 146 A D > - 0 0 84 -2,-0.2 3,-3.8 1,-0.1 -1,-0.1 -0.695 41.1-116.3 -68.3 127.2 10.3 -29.2 -2.7 89 147 A E T 3 S+ 0 0 190 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.658 113.2 71.8 -43.5 -20.9 13.3 -26.9 -2.6 90 148 A K T 3 S+ 0 0 170 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.714 77.1 96.0 -69.2 -21.2 11.4 -25.1 0.2 91 149 A V S < S- 0 0 31 -3,-3.8 2,-0.9 1,-0.1 -4,-0.1 -0.610 72.9-138.6 -79.2 121.5 12.1 -28.1 2.6 92 150 A K + 0 0 81 -2,-0.5 26,-3.1 -32,-0.1 27,-2.1 -0.688 30.3 171.6 -85.5 103.6 15.2 -27.7 4.8 93 151 A I E +e 119 0B 12 -2,-0.9 2,-0.4 25,-0.2 27,-0.2 -0.935 3.6 173.6-121.2 111.8 17.0 -31.0 4.9 94 152 A F E -e 120 0B 46 25,-2.0 27,-1.6 -2,-0.5 2,-0.3 -0.927 6.0-172.6-120.2 142.7 20.5 -31.4 6.6 95 153 A G E -e 121 0B 5 -2,-0.4 2,-0.3 25,-0.2 27,-0.2 -0.792 5.1-156.7-124.4 167.7 22.6 -34.5 7.2 96 154 A F + 0 0 43 25,-1.6 27,-0.4 -2,-0.3 2,-0.3 -0.989 17.9 155.8-150.3 137.5 25.8 -35.3 9.1 97 155 A Y > - 0 0 42 -2,-0.3 3,-1.4 25,-0.1 8,-0.1 -0.945 48.1-111.1-158.1 146.2 28.6 -37.9 9.1 98 156 A S T 3 S+ 0 0 66 -2,-0.3 2,-0.2 1,-0.3 -1,-0.1 0.802 113.7 55.1 -45.2 -43.1 32.2 -37.9 10.2 99 157 A S T 3 S+ 0 0 83 -3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.001 87.3 126.4 -85.4 32.7 33.6 -38.1 6.6 100 158 A M S < S- 0 0 24 -3,-1.4 2,-0.3 -2,-0.2 -4,-0.0 -0.428 70.8 -89.9 -92.3 162.6 31.7 -35.0 5.5 101 159 A K >> - 0 0 133 1,-0.1 4,-2.6 -2,-0.1 3,-0.9 -0.556 32.4-128.0 -69.5 129.9 33.0 -31.8 3.8 102 160 A K H 3> S+ 0 0 161 -2,-0.3 4,-1.9 1,-0.3 5,-0.2 0.806 112.0 52.3 -45.5 -35.9 33.9 -29.2 6.4 103 161 A E H 3> S+ 0 0 134 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.872 109.9 46.9 -70.4 -38.3 31.6 -26.8 4.5 104 162 A E H <> S+ 0 0 67 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.862 110.5 53.5 -72.9 -37.8 28.7 -29.2 4.6 105 163 A K H X S+ 0 0 59 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.978 107.3 48.4 -56.7 -60.3 29.2 -29.9 8.3 106 164 A E H X S+ 0 0 100 -4,-1.9 4,-2.8 1,-0.3 5,-0.2 0.837 109.0 56.6 -53.4 -33.4 29.1 -26.2 9.4 107 165 A K H X S+ 0 0 118 -4,-1.2 4,-2.1 2,-0.2 -1,-0.3 0.948 112.1 40.7 -62.8 -50.0 26.0 -25.9 7.3 108 166 A F H X S+ 0 0 4 -4,-2.1 4,-3.1 -3,-0.3 -2,-0.2 0.989 116.2 49.7 -54.9 -61.7 24.4 -28.7 9.3 109 167 A E H X S+ 0 0 89 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.816 111.2 49.8 -52.0 -39.4 25.8 -27.4 12.6 110 168 A K H X S+ 0 0 132 -4,-2.8 4,-1.6 -5,-0.3 3,-0.3 0.936 114.8 42.4 -64.7 -51.5 24.5 -23.9 11.8 111 169 A S H X>S+ 0 0 3 -4,-2.1 5,-1.3 1,-0.2 4,-0.8 0.841 110.0 59.9 -63.8 -34.1 21.0 -25.0 11.0 112 170 A F H <5S+ 0 0 7 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.830 110.5 39.4 -66.5 -32.6 21.0 -27.4 13.9 113 171 A E H <5S+ 0 0 122 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.758 115.6 50.4 -89.0 -27.5 21.6 -24.6 16.5 114 172 A E H <5S- 0 0 113 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.510 103.3-130.1 -85.5 -5.7 19.3 -22.1 14.8 115 173 A D T <5 + 0 0 75 -4,-0.8 2,-1.2 1,-0.2 -3,-0.2 0.775 61.5 143.3 59.5 24.7 16.5 -24.7 14.6 116 174 A D < + 0 0 73 -5,-1.3 2,-0.3 -6,-0.2 -1,-0.2 -0.663 39.7 91.8 -93.5 74.3 16.2 -23.7 11.0 117 175 A Y - 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