==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-FEB-08 2VP8 . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.GENGENBACHER,T.XU,P.NIYOMWATTANAKIT,G.SPRAGGON,T.DICK . 469 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20135.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.7 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 0.4 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 . 32 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.3 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 1 0 4 0 2 0 2 1 2 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 8 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 27 A A 0 0 128 0, 0.0 3,-0.1 0, 0.0 11,-0.0 0.000 360.0 360.0 360.0 114.2 -37.5 19.3 16.9 2 28 A G + 0 0 69 1,-0.1 2,-0.1 0, 0.0 11,-0.0 -0.501 360.0 130.2 -97.3 70.6 -37.2 22.1 17.3 3 29 A H - 0 0 114 9,-0.1 2,-0.2 10,-0.1 9,-0.2 -0.410 39.8-157.3 -74.7 150.5 -34.8 21.7 14.3 4 30 A S E -A 11 0A 53 7,-2.1 7,-2.2 -2,-0.1 2,-0.4 -0.637 24.2-105.9-115.2-175.4 -34.9 23.9 11.3 5 31 A T E -A 10 0A 93 -2,-0.2 2,-0.4 5,-0.2 7,-0.0 -0.911 26.3-179.0-127.1 138.2 -33.6 23.0 7.9 6 32 A L E > S-A 9 0A 17 3,-2.3 3,-2.2 -2,-0.4 147,-0.1 -0.999 85.6 -7.5-128.5 132.6 -30.6 23.7 5.6 7 33 A C T 3 S- 0 0 16 -2,-0.4 -1,-0.1 145,-0.3 107,-0.1 0.855 130.4 -59.3 50.3 37.8 -30.4 22.1 2.1 8 34 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 63,-0.0 -3,-0.0 0.463 115.0 115.0 76.2 3.9 -33.4 20.0 3.2 9 35 A R E < S-A 6 0A 54 -3,-2.2 -3,-2.3 1,-0.1 -1,-0.2 -0.825 74.6 -97.8-114.6 145.3 -31.5 18.5 6.2 10 36 A P E +A 5 0A 65 0, 0.0 61,-0.3 0, 0.0 2,-0.3 -0.286 47.7 173.3 -62.5 142.5 -32.2 18.9 9.9 11 37 A V E -A 4 0A 0 -7,-2.2 -7,-2.1 59,-0.1 29,-0.1 -0.973 45.5 -73.0-151.5 146.9 -30.0 21.5 11.5 12 38 A A - 0 0 7 -2,-0.3 3,-0.2 -9,-0.2 -9,-0.1 -0.220 42.4-168.0 -48.2 128.1 -29.9 23.0 15.0 13 39 A G S S+ 0 0 33 1,-0.1 -1,-0.2 3,-0.0 -10,-0.1 0.465 76.6 51.0-102.8 -2.5 -32.9 25.3 15.2 14 40 A D S S+ 0 0 58 2,-0.1 2,-0.3 -10,-0.1 -1,-0.1 0.078 111.1 24.9-128.7 24.3 -32.0 27.1 18.4 15 41 A R S S- 0 0 27 -3,-0.2 210,-0.1 218,-0.1 -1,-0.1 -0.950 93.5 -70.9-166.2 166.3 -28.4 28.4 17.8 16 42 A A - 0 0 13 -2,-0.3 195,-0.2 208,-0.2 194,-0.1 -0.256 62.3-102.6 -57.3 155.3 -26.0 29.3 15.0 17 43 A L E -b 211 0B 0 193,-3.6 195,-1.7 192,-0.1 2,-0.5 -0.416 22.5-138.8 -89.1 156.9 -24.7 26.3 13.1 18 44 A I E -b 212 0B 0 21,-0.3 24,-2.0 193,-0.2 23,-1.6 -0.964 6.0-162.4-116.6 131.1 -21.4 24.4 13.1 19 45 A M E -bc 213 42B 0 193,-3.3 195,-3.0 -2,-0.5 2,-0.5 -0.953 17.5-150.2-107.5 113.7 -19.5 23.2 10.1 20 46 A A E -bc 214 43B 2 22,-3.5 24,-2.9 -2,-0.6 2,-0.5 -0.749 7.8-136.3 -89.7 125.3 -17.0 20.5 11.2 21 47 A I E + c 0 44B 34 193,-2.8 2,-0.4 -2,-0.5 24,-0.2 -0.688 26.8 174.0 -78.8 121.0 -13.8 20.2 9.1 22 48 A V E c 0 45B 7 22,-3.1 24,-1.9 -2,-0.5 6,-0.1 -0.997 360.0 360.0-125.6 127.6 -12.8 16.6 8.4 23 49 A N 0 0 146 -2,-0.4 5,-0.1 22,-0.2 22,-0.1 0.231 360.0 360.0-121.6 360.0 -9.9 16.0 6.1 24 ! 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 25 64 A D > 0 0 150 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -67.9 -9.3 6.8 6.7 26 65 A A H > + 0 0 50 2,-0.2 4,-2.4 1,-0.2 3,-0.2 0.962 360.0 45.9 -70.8 -55.9 -10.1 5.2 10.0 27 66 A A H > S+ 0 0 73 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.681 110.9 58.1 -60.9 -19.1 -9.2 8.4 12.1 28 67 A A H > S+ 0 0 17 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.915 105.7 45.8 -74.4 -48.2 -11.2 10.2 9.4 29 68 A R H X S+ 0 0 90 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.894 112.6 52.6 -60.0 -41.0 -14.4 8.1 10.1 30 69 A D H X S+ 0 0 88 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.887 103.7 56.3 -61.1 -41.4 -13.8 8.7 13.9 31 70 A A H X S+ 0 0 22 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.857 108.1 48.4 -59.7 -36.9 -13.5 12.4 13.3 32 71 A V H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.927 110.5 50.8 -68.6 -46.3 -17.0 12.3 11.8 33 72 A H H X S+ 0 0 67 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.932 113.9 44.8 -53.7 -48.7 -18.3 10.2 14.7 34 73 A R H X S+ 0 0 145 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.923 113.9 49.2 -64.4 -44.9 -16.9 12.7 17.1 35 74 A A H <>S+ 0 0 9 -4,-2.5 5,-3.1 -5,-0.2 -2,-0.2 0.896 112.5 46.8 -60.9 -43.4 -18.2 15.8 15.2 36 75 A V H ><5S+ 0 0 32 -4,-2.8 3,-1.4 3,-0.2 -1,-0.2 0.912 112.4 49.6 -67.3 -43.7 -21.7 14.4 14.8 37 76 A A H 3<5S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.861 108.8 53.6 -61.7 -36.8 -21.9 13.4 18.5 38 77 A D T 3<5S- 0 0 61 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.438 127.6-101.7 -78.9 -0.5 -20.7 16.9 19.4 39 78 A G T < 5 + 0 0 23 -3,-1.4 -21,-0.3 1,-0.2 2,-0.2 0.738 53.7 174.9 88.3 25.4 -23.5 18.3 17.3 40 79 A A < - 0 0 5 -5,-3.1 -1,-0.2 1,-0.2 -21,-0.2 -0.480 16.8-161.5 -59.2 125.5 -21.8 19.3 14.1 41 80 A D S S+ 0 0 13 -23,-1.6 30,-0.7 1,-0.2 2,-0.4 0.764 76.8 27.3 -82.2 -28.5 -24.6 20.5 11.7 42 81 A V E -cd 19 71B 0 -24,-2.0 -22,-3.5 28,-0.1 2,-0.7 -0.998 68.3-147.9-134.6 135.8 -22.4 20.1 8.6 43 82 A I E -cd 20 72B 0 28,-1.8 30,-2.0 -2,-0.4 2,-0.7 -0.906 16.1-152.5-103.2 105.7 -19.5 17.8 8.0 44 83 A D E -cd 21 73B 1 -24,-2.9 -22,-3.1 -2,-0.7 2,-0.5 -0.698 14.2-161.4 -80.6 113.0 -17.0 19.6 5.6 45 84 A V E cd 22 74B 5 28,-3.7 30,-3.2 -2,-0.7 -22,-0.2 -0.851 360.0 360.0-106.0 122.4 -15.2 16.8 3.8 46 85 A G 0 0 52 -24,-1.9 -1,-0.1 -2,-0.5 30,-0.1 -0.553 360.0 360.0 175.0 360.0 -11.9 17.6 2.0 47 ! 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 48 96 A D > 0 0 122 0, 0.0 4,-1.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 152.4 -5.2 15.0 -10.5 49 97 A V H > + 0 0 34 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.839 360.0 62.6 -61.9 -35.7 -9.0 14.8 -10.3 50 98 A D H > S+ 0 0 104 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.907 106.8 40.6 -59.8 -48.5 -9.0 11.0 -10.5 51 99 A T H > S+ 0 0 81 -3,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.842 116.1 50.7 -72.4 -33.7 -7.1 10.3 -7.3 52 100 A E H X S+ 0 0 63 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.889 115.7 43.6 -67.8 -39.9 -8.9 13.0 -5.4 53 101 A I H X S+ 0 0 31 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.942 108.4 54.2 -71.0 -50.7 -12.2 11.7 -6.5 54 102 A T H < S+ 0 0 104 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.682 116.0 42.6 -63.4 -17.2 -11.6 8.0 -6.0 55 103 A R H X S+ 0 0 190 -4,-0.7 4,-0.8 -5,-0.2 -1,-0.2 0.855 118.3 44.1 -88.9 -46.2 -10.6 8.8 -2.4 56 104 A L H X S+ 0 0 18 -4,-2.0 4,-1.8 2,-0.1 3,-0.4 0.929 104.8 58.7 -64.9 -53.3 -13.5 11.3 -1.8 57 105 A V H X S+ 0 0 28 -4,-2.9 4,-2.4 1,-0.2 3,-0.5 0.906 103.6 48.1 -50.2 -57.1 -16.5 9.5 -3.3 58 106 A P H > S+ 0 0 70 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.852 111.2 53.4 -57.8 -33.8 -16.5 6.3 -1.2 59 107 A F H X S+ 0 0 28 -4,-0.8 4,-2.8 -3,-0.4 -2,-0.2 0.885 110.3 45.0 -66.0 -42.7 -16.1 8.4 2.0 60 108 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 -3,-0.5 -1,-0.2 0.821 112.3 52.7 -70.8 -32.6 -19.2 10.6 1.2 61 109 A E H X S+ 0 0 111 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.828 112.0 46.9 -68.9 -32.4 -21.1 7.4 0.3 62 110 A W H X S+ 0 0 77 -4,-1.7 4,-3.0 -5,-0.3 5,-0.2 0.936 111.4 49.5 -71.2 -49.3 -20.1 6.1 3.6 63 111 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.915 111.3 50.2 -53.7 -48.5 -21.0 9.2 5.5 64 112 A R H < S+ 0 0 39 -4,-2.4 -1,-0.2 1,-0.2 6,-0.2 0.926 114.7 43.4 -59.0 -47.7 -24.4 9.3 3.8 65 113 A G H < S+ 0 0 59 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.856 117.1 45.6 -66.2 -38.9 -25.1 5.7 4.7 66 114 A A H < S+ 0 0 42 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.781 129.5 24.3 -77.5 -29.9 -23.8 6.0 8.3 67 115 A Y S >< S- 0 0 61 -4,-2.7 3,-1.8 -5,-0.2 -1,-0.3 -0.719 70.1-178.7-136.4 84.0 -25.7 9.3 8.9 68 116 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.780 83.2 42.6 -57.0 -31.7 -28.7 9.4 6.5 69 117 A D T 3 S+ 0 0 110 2,-0.1 2,-0.5 -60,-0.1 -5,-0.1 0.155 86.3 120.0-103.9 19.9 -29.8 12.9 7.7 70 118 A Q < - 0 0 22 -3,-1.8 2,-0.3 -6,-0.2 -28,-0.1 -0.707 63.2-128.2 -90.9 128.3 -26.4 14.6 8.0 71 119 A L E -d 42 0B 0 -30,-0.7 -28,-1.8 -2,-0.5 2,-0.4 -0.575 30.9-162.5 -69.2 130.1 -25.7 17.7 5.9 72 120 A I E -d 43 0B 0 -2,-0.3 20,-2.2 17,-0.2 19,-2.1 -0.976 8.8-167.3-122.5 128.9 -22.5 17.1 4.0 73 121 A S E -de 44 92B 0 -30,-2.0 -28,-3.7 -2,-0.4 2,-0.5 -0.906 12.7-141.1-114.7 145.2 -20.3 19.6 2.4 74 122 A V E -de 45 93B 0 18,-2.2 20,-2.7 -2,-0.4 2,-1.1 -0.902 5.9-147.7-104.9 127.6 -17.4 19.1 -0.0 75 123 A D E + e 0 94B 36 -30,-3.2 2,-0.3 -2,-0.5 20,-0.2 -0.807 52.6 115.9 -93.7 94.2 -14.3 21.1 0.2 76 124 A T - 0 0 3 -2,-1.1 20,-0.4 18,-0.7 21,-0.2 -0.977 52.5-152.7-154.6 159.2 -13.1 21.4 -3.4 77 125 A W S S+ 0 0 80 -2,-0.3 24,-0.6 18,-0.2 2,-0.5 0.505 72.7 84.7-112.0 -12.1 -12.5 24.1 -6.0 78 126 A R > - 0 0 67 1,-0.1 4,-2.4 22,-0.1 3,-0.2 -0.835 68.3-143.2 -99.8 133.0 -13.0 22.0 -9.2 79 127 A A H > S+ 0 0 10 -2,-0.5 4,-3.8 1,-0.2 5,-0.3 0.904 100.3 58.5 -52.6 -49.9 -16.4 21.3 -10.7 80 128 A Q H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 110.0 42.1 -47.3 -52.6 -15.5 17.8 -11.7 81 129 A V H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.936 116.3 49.1 -64.6 -46.4 -14.6 16.8 -8.1 82 130 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.891 109.0 53.1 -56.1 -44.9 -17.7 18.6 -6.8 83 131 A K H X S+ 0 0 88 -4,-3.8 4,-1.7 1,-0.2 -1,-0.2 0.894 110.4 47.0 -60.6 -43.0 -19.9 16.9 -9.3 84 132 A A H X S+ 0 0 24 -4,-2.0 4,-0.9 -5,-0.3 -1,-0.2 0.787 112.0 52.3 -67.3 -28.8 -18.6 13.5 -8.3 85 133 A A H X>S+ 0 0 0 -4,-1.6 5,-2.5 2,-0.2 4,-1.2 0.887 108.6 47.8 -76.4 -41.1 -19.2 14.5 -4.6 86 134 A C H <5S+ 0 0 10 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.846 109.0 55.2 -67.2 -34.9 -22.8 15.6 -5.1 87 135 A A H <5S+ 0 0 67 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.797 107.0 51.4 -64.9 -30.0 -23.4 12.3 -7.0 88 136 A A H <5S- 0 0 11 -4,-0.9 -2,-0.2 -5,-0.1 -1,-0.2 0.760 137.2 -82.1 -78.3 -27.4 -22.0 10.5 -3.9 89 137 A G T <5S+ 0 0 17 -4,-1.2 -17,-0.2 1,-0.2 -3,-0.2 0.365 72.3 154.0 144.3 -1.7 -24.4 12.4 -1.6 90 138 A A < - 0 0 7 -5,-2.5 -1,-0.2 1,-0.1 -17,-0.2 -0.269 22.7-168.6 -60.3 133.6 -22.9 15.9 -0.8 91 139 A D + 0 0 20 -19,-2.1 23,-2.8 1,-0.2 2,-0.4 0.745 69.1 34.7 -91.8 -27.6 -25.5 18.5 0.0 92 140 A L E -ef 73 114B 0 -20,-2.2 -18,-2.2 21,-0.2 2,-0.7 -0.992 66.7-141.3-139.7 126.6 -23.3 21.6 -0.1 93 141 A I E -ef 74 115B 0 21,-2.5 23,-2.6 -2,-0.4 2,-1.2 -0.823 13.4-158.6 -87.5 115.0 -20.4 22.6 -2.2 94 142 A N E -ef 75 116B 0 -20,-2.7 2,-1.5 -2,-0.7 -18,-0.7 -0.713 6.4-163.9 -92.9 82.8 -17.9 24.5 -0.1 95 143 A D E > - f 0 117B 8 -2,-1.2 3,-1.2 21,-0.6 23,-0.6 -0.532 10.5-179.5 -70.1 91.4 -16.1 26.4 -2.8 96 144 A T T 3 S+ 0 0 17 -2,-1.5 -1,-0.2 -20,-0.4 -19,-0.1 0.565 72.8 56.0 -77.9 -9.7 -13.1 27.2 -0.6 97 145 A W T 3 S- 0 0 159 -21,-0.2 -1,-0.3 -3,-0.1 23,-0.1 0.183 111.7-111.8-109.1 14.3 -11.2 29.2 -3.4 98 146 A G S < S- 0 0 33 -3,-1.2 -2,-0.1 1,-0.2 22,-0.1 0.728 76.3 -39.8 67.7 27.9 -14.0 31.6 -4.2 99 147 A G S S+ 0 0 41 20,-0.0 -1,-0.2 -22,-0.0 -22,-0.1 0.873 75.2 151.4 92.4 43.0 -15.1 30.5 -7.7 100 148 A V S S+ 0 0 86 1,-0.1 -22,-0.1 -23,-0.1 -2,-0.1 0.896 72.0 59.7 -66.2 -41.9 -11.9 29.6 -9.6 101 149 A D S > S- 0 0 41 -24,-0.6 3,-1.4 1,-0.1 -1,-0.1 -0.825 75.5-157.7 -91.1 116.4 -13.9 27.1 -11.7 102 150 A P T 3 S+ 0 0 110 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.649 89.0 62.3 -70.1 -17.2 -16.7 29.0 -13.5 103 151 A A T >> S+ 0 0 31 1,-0.2 4,-1.8 2,-0.1 3,-0.6 0.492 75.5 97.8 -84.9 -5.3 -18.8 25.9 -13.9 104 152 A M H <> S+ 0 0 0 -3,-1.4 4,-1.9 1,-0.2 3,-0.4 0.912 81.7 47.6 -51.3 -52.7 -19.1 25.5 -10.1 105 153 A P H 3> S+ 0 0 23 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.788 108.1 57.2 -63.5 -26.8 -22.6 27.1 -9.8 106 154 A E H <> S+ 0 0 125 -3,-0.6 4,-2.7 -4,-0.2 -2,-0.2 0.889 106.3 49.3 -66.7 -40.4 -23.8 25.0 -12.7 107 155 A V H X S+ 0 0 11 -4,-1.8 4,-1.9 -3,-0.4 6,-0.3 0.901 111.9 48.1 -65.2 -42.8 -22.9 21.8 -10.8 108 156 A A H X>S+ 0 0 0 -4,-1.9 5,-2.6 2,-0.2 4,-1.4 0.907 113.5 47.5 -62.5 -44.3 -24.7 23.0 -7.7 109 157 A A H <5S+ 0 0 27 -4,-2.2 3,-0.3 3,-0.2 -2,-0.2 0.932 107.7 56.5 -63.1 -48.5 -27.8 23.9 -9.7 110 158 A E H <5S+ 0 0 132 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.927 117.9 32.3 -46.8 -55.2 -27.8 20.6 -11.5 111 159 A F H <5S- 0 0 83 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.633 108.8-116.6 -81.7 -14.7 -27.9 18.6 -8.2 112 160 A G T <5 + 0 0 34 -4,-1.4 -3,-0.2 -3,-0.3 2,-0.2 0.786 63.8 156.9 76.6 29.6 -29.9 21.1 -6.3 113 161 A A < - 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