==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-AUG-12 4GT1 . COMPND 2 MOLECULE: PROBABLE GTPASE RV1496/MT1543; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 302 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 0 0.0 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 . 12 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 47.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 0 1 0 0 0 2 0 0 0 3 1 0 2 1 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 10 A T > 0 0 158 0, 0.0 4,-3.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -9.1 25.6 4.6 7.3 2 11 A V H > + 0 0 43 2,-0.2 4,-2.7 3,-0.2 5,-0.1 0.893 360.0 42.5 -60.1 -47.9 22.5 6.2 5.8 3 12 A D H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.888 115.1 50.6 -59.1 -42.3 21.9 6.8 9.5 4 13 A G H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.946 110.6 46.8 -61.1 -51.9 25.6 7.7 9.7 5 14 A L H X S+ 0 0 24 -4,-3.4 4,-2.9 1,-0.2 -2,-0.2 0.932 111.8 52.2 -55.9 -47.0 25.4 10.1 6.8 6 15 A A H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.830 109.4 49.0 -60.1 -37.2 22.2 11.7 8.4 7 16 A T H X S+ 0 0 90 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.911 112.9 48.0 -66.8 -43.5 24.0 12.2 11.7 8 17 A A H X>S+ 0 0 23 -4,-2.2 5,-2.0 2,-0.2 4,-0.7 0.928 112.3 47.9 -63.0 -49.4 27.0 13.8 9.9 9 18 A V H ><5S+ 0 0 1 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.962 114.6 44.5 -57.3 -53.5 24.9 16.2 7.8 10 19 A R H 3<5S+ 0 0 106 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.665 109.7 58.3 -69.2 -16.8 22.7 17.4 10.7 11 20 A G H 3<5S- 0 0 69 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.548 120.6-106.6 -86.1 -11.6 25.8 17.8 12.9 12 21 A G T <<5 + 0 0 44 -3,-1.4 2,-0.2 -4,-0.7 -3,-0.2 0.421 57.4 164.0 103.8 0.4 27.4 20.2 10.4 13 22 A D >< - 0 0 75 -5,-2.0 4,-1.2 -6,-0.2 -1,-0.3 -0.334 26.1-156.5 -54.6 114.3 30.1 18.0 8.9 14 23 A R T 4 S+ 0 0 84 -2,-0.2 -1,-0.2 1,-0.2 -5,-0.0 0.727 88.3 53.9 -71.0 -24.1 31.0 19.9 5.8 15 24 A A T > S+ 0 0 58 2,-0.1 4,-0.9 1,-0.1 -1,-0.2 0.819 102.5 57.4 -79.0 -33.3 32.3 16.8 3.9 16 25 A A H > S+ 0 0 0 -3,-0.2 4,-2.6 1,-0.2 3,-0.4 0.917 96.7 63.6 -61.4 -44.1 29.1 14.8 4.4 17 26 A L H X S+ 0 0 11 -4,-1.2 4,-2.7 1,-0.2 5,-0.2 0.880 101.0 46.7 -55.3 -51.2 26.9 17.4 2.7 18 27 A P H > S+ 0 0 46 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.864 113.7 50.9 -58.0 -36.2 28.4 17.2 -0.9 19 28 A R H X S+ 0 0 142 -4,-0.9 4,-2.9 -3,-0.4 -2,-0.2 0.903 110.1 48.5 -69.4 -42.5 28.3 13.4 -0.7 20 29 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.916 111.1 51.0 -61.2 -42.0 24.6 13.4 0.4 21 30 A I H X S+ 0 0 7 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.903 110.3 49.4 -63.6 -39.3 23.9 15.8 -2.5 22 31 A T H X S+ 0 0 90 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.940 110.6 49.8 -63.2 -47.9 25.7 13.4 -4.9 23 32 A L H >< S+ 0 0 31 -4,-2.9 3,-0.6 1,-0.2 12,-0.2 0.914 113.3 47.7 -50.6 -46.3 23.6 10.5 -3.5 24 33 A V H 3< S+ 0 0 10 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.865 111.3 49.4 -66.7 -39.3 20.5 12.7 -4.0 25 34 A E H 3< S+ 0 0 116 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.2 0.594 85.9 114.0 -76.6 -11.7 21.6 13.6 -7.6 26 35 A S << - 0 0 27 -4,-1.1 9,-0.1 -3,-0.6 -3,-0.0 -0.471 49.1-166.5 -65.9 122.3 22.2 9.9 -8.5 27 36 A T + 0 0 100 -2,-0.3 -1,-0.2 4,-0.1 -4,-0.0 0.562 54.6 117.9 -79.8 -11.8 19.8 8.6 -11.1 28 37 A R S >> S- 0 0 39 1,-0.1 4,-1.8 2,-0.1 3,-1.5 -0.448 71.3-133.0 -60.7 115.4 21.0 5.0 -10.2 29 38 A P H 3> S+ 0 0 114 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.678 104.4 53.5 -46.0 -29.6 17.9 3.2 -8.9 30 39 A D H 3> S+ 0 0 113 2,-0.2 4,-1.3 1,-0.1 5,-0.1 0.847 108.7 48.8 -74.3 -35.8 19.7 1.8 -5.9 31 40 A H H <> S+ 0 0 81 -3,-1.5 4,-3.5 1,-0.2 5,-0.2 0.891 103.5 61.6 -68.2 -38.8 20.9 5.3 -4.8 32 41 A R H X S+ 0 0 45 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.876 104.5 49.3 -52.8 -38.4 17.4 6.7 -5.2 33 42 A E H X S+ 0 0 116 -4,-0.9 4,-1.2 2,-0.2 -1,-0.2 0.856 113.6 43.5 -73.0 -39.1 16.3 4.3 -2.5 34 43 A Q H X S+ 0 0 26 -4,-1.3 4,-2.5 2,-0.2 3,-0.5 0.937 111.6 55.7 -66.5 -47.6 19.1 5.2 -0.1 35 44 A A H X S+ 0 0 2 -4,-3.5 4,-2.8 1,-0.3 5,-0.2 0.904 106.0 52.0 -51.1 -44.8 18.5 8.9 -0.9 36 45 A Q H X S+ 0 0 86 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.3 0.856 109.5 47.3 -63.9 -36.4 14.8 8.5 0.1 37 46 A Q H X S+ 0 0 86 -4,-1.2 4,-1.8 -3,-0.5 -1,-0.2 0.849 112.4 50.7 -71.6 -37.8 15.7 7.0 3.5 38 47 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.945 111.8 46.5 -62.5 -49.6 18.2 9.7 4.1 39 48 A L H X S+ 0 0 11 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.906 109.5 55.0 -61.5 -40.5 15.7 12.5 3.3 40 49 A L H < S+ 0 0 111 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.901 110.5 46.4 -58.3 -39.8 13.1 10.7 5.4 41 50 A R H < S+ 0 0 33 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 118.9 40.0 -71.7 -32.8 15.6 10.9 8.3 42 51 A L H >< S+ 0 0 0 -4,-1.9 3,-2.1 1,-0.2 4,-0.5 0.679 89.1 90.8 -92.4 -20.2 16.5 14.6 7.7 43 52 A L G >< S+ 0 0 78 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.857 84.7 53.9 -41.5 -47.3 13.0 15.8 6.9 44 53 A P G 3 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.698 106.5 52.3 -68.1 -18.9 12.3 16.7 10.5 45 54 A D G < S+ 0 0 66 -3,-2.1 3,-0.3 -4,-0.1 76,-0.2 0.378 101.4 80.4 -90.8 0.7 15.5 18.9 10.7 46 55 A S < + 0 0 23 -3,-1.6 69,-0.1 -4,-0.5 70,-0.1 -0.327 57.8 62.8-100.5-179.4 14.5 20.9 7.6 47 56 A G + 0 0 18 67,-0.2 2,-1.7 1,-0.1 -1,-0.2 0.220 63.9 115.6 91.9 -15.1 12.1 23.8 7.0 48 57 A N + 0 0 139 -3,-0.3 2,-0.3 74,-0.1 -1,-0.1 -0.398 63.4 74.8 -86.6 63.0 13.9 26.3 9.2 49 58 A A S S- 0 0 4 -2,-1.7 2,-0.6 2,-0.0 75,-0.2 -0.971 79.3-112.0-162.7 161.3 14.8 28.6 6.3 50 59 A H E -a 124 0A 13 73,-2.3 75,-2.5 -2,-0.3 2,-0.5 -0.959 29.7-154.9-108.8 119.3 13.6 31.2 3.9 51 60 A R E -a 125 0A 32 -2,-0.6 93,-2.3 73,-0.2 94,-1.6 -0.883 13.9-173.6 -96.8 124.2 13.6 29.9 0.3 52 61 A V E -ab 126 145A 2 73,-3.1 75,-3.1 -2,-0.5 2,-0.3 -0.979 12.0-152.0-126.9 124.8 13.8 32.6 -2.3 53 62 A G E -ab 127 146A 0 92,-2.6 94,-3.1 -2,-0.5 2,-0.4 -0.750 10.4-165.9 -93.2 144.3 13.6 32.2 -6.0 54 63 A I E +ab 128 147A 9 73,-2.3 75,-2.3 -2,-0.3 2,-0.3 -0.993 15.7 160.1-136.0 120.1 15.3 34.7 -8.4 55 64 A T E + b 0 148A 2 92,-2.5 94,-2.5 -2,-0.4 2,-0.2 -0.883 7.3 124.7-135.5 172.5 14.7 35.0 -12.1 56 65 A G - 0 0 2 73,-0.5 75,-0.2 -2,-0.3 94,-0.1 -0.744 58.4 -56.1 151.3 166.0 15.0 37.3 -15.0 57 66 A V > - 0 0 28 92,-0.4 3,-2.4 -2,-0.2 4,-0.3 -0.188 68.2 -79.1 -68.6 154.8 16.6 37.4 -18.5 58 67 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 72,-0.0 -0.264 120.4 18.0 -48.3 132.1 20.2 36.7 -19.3 59 68 A G T 3 S+ 0 0 58 -3,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.384 86.6 114.9 80.1 -0.2 22.3 39.8 -18.5 60 69 A V S < S- 0 0 1 -3,-2.4 90,-0.1 89,-0.1 -3,-0.1 0.782 94.1 -99.7 -68.6 -26.8 19.6 41.4 -16.2 61 70 A G S > S+ 0 0 12 -4,-0.3 4,-2.6 -5,-0.1 5,-0.2 0.655 72.4 144.0 119.3 26.5 22.0 41.0 -13.3 62 71 A K H > S+ 0 0 13 -5,-0.3 4,-2.8 2,-0.2 5,-0.2 0.925 76.5 43.7 -58.6 -49.3 21.0 37.9 -11.4 63 72 A S H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 114.0 51.0 -74.2 -32.8 24.4 36.6 -10.4 64 73 A T H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 113.4 45.1 -60.1 -49.6 25.6 40.1 -9.5 65 74 A A H X S+ 0 0 6 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.920 112.7 51.9 -59.8 -43.7 22.6 40.6 -7.2 66 75 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.898 109.2 48.7 -62.3 -44.5 22.9 37.1 -5.7 67 76 A E H X S+ 0 0 24 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.933 115.8 44.7 -60.2 -46.3 26.6 37.6 -4.8 68 77 A A H X S+ 0 0 29 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.923 115.5 46.2 -65.4 -43.7 25.7 41.0 -3.2 69 78 A L H X S+ 0 0 4 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.910 110.0 54.7 -64.9 -43.6 22.7 39.7 -1.4 70 79 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.896 110.9 44.8 -60.7 -39.0 24.6 36.6 -0.2 71 80 A M H X S+ 0 0 48 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.933 109.7 55.5 -71.2 -43.8 27.3 38.9 1.4 72 81 A H H X S+ 0 0 24 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.947 114.3 42.6 -45.3 -47.9 24.6 41.2 2.9 73 82 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-0.8 0.877 109.3 53.3 -74.9 -44.8 23.2 38.1 4.5 74 83 A I H ><5S+ 0 0 11 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.879 106.3 55.4 -54.2 -39.7 26.4 36.4 5.7 75 84 A E H 3<5S+ 0 0 142 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.653 104.8 55.1 -73.0 -15.8 27.3 39.7 7.4 76 85 A R T <<5S- 0 0 145 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.184 127.8 -95.6 -98.4 11.6 24.0 39.5 9.3 77 86 A G T < 5S+ 0 0 62 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.532 79.4 134.7 93.7 6.0 24.7 36.0 10.6 78 87 A H < - 0 0 36 -5,-2.2 2,-0.5 -8,-0.1 -1,-0.3 -0.523 52.1-135.1 -83.4 158.8 22.9 33.9 8.0 79 88 A R - 0 0 77 42,-0.2 45,-1.7 -2,-0.2 44,-1.5 -0.978 31.8-158.6-111.2 121.1 24.2 30.7 6.4 80 89 A V E -cd 97 124A 0 16,-1.9 18,-2.1 -2,-0.5 2,-0.4 -0.854 14.9-168.4-114.7 125.4 23.4 31.0 2.7 81 90 A A E -cd 98 125A 0 43,-3.0 45,-3.6 -2,-0.4 2,-0.5 -0.896 5.6-160.1-112.3 143.1 23.0 28.5 -0.1 82 91 A V E +cd 99 126A 4 16,-2.8 18,-2.4 -2,-0.4 2,-0.3 -0.982 13.9 173.9-122.1 119.2 22.8 29.2 -3.8 83 92 A L E - d 0 127A 8 43,-2.8 45,-3.0 -2,-0.5 2,-0.4 -0.868 16.1-148.4-119.5 158.6 21.4 26.7 -6.2 84 93 A A E - d 0 128A 56 16,-0.6 2,-0.5 -2,-0.3 45,-0.2 -0.980 5.0-160.5-131.1 136.6 20.6 27.0 -9.9 85 94 A V E d 0 129A 3 43,-2.9 45,-0.6 -2,-0.4 54,-0.1 -0.852 360.0 360.0-116.1 92.3 17.9 25.4 -12.0 86 95 A D 0 0 105 -2,-0.5 43,-0.1 43,-0.1 45,-0.1 -0.754 360.0 360.0 -97.7 360.0 18.8 25.5 -15.7 87 ! 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 88 112 A M > 0 0 69 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 41.0 30.0 34.6 -7.3 89 113 A A H > + 0 0 81 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.883 360.0 54.9 -76.3 -41.5 33.7 34.2 -6.2 90 114 A R H 4 S+ 0 0 78 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.925 116.9 42.3 -54.8 -40.1 33.6 36.6 -3.2 91 115 A L H >4 S+ 0 0 1 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.921 107.9 55.3 -74.1 -47.7 30.7 34.5 -2.0 92 116 A A H 3< S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.713 101.9 60.0 -63.9 -21.2 31.9 31.0 -2.7 93 117 A V T 3< S+ 0 0 87 -4,-1.5 -1,-0.3 -3,-0.1 -2,-0.2 0.731 84.8 96.0 -75.4 -23.0 35.1 31.5 -0.7 94 118 A H S X S- 0 0 62 -3,-1.4 3,-1.6 -4,-0.4 -3,-0.0 -0.490 73.5-138.8 -76.7 135.3 33.1 32.3 2.5 95 119 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.685 101.4 56.5 -65.4 -19.6 32.6 29.3 4.9 96 120 A N T 3 S+ 0 0 60 -5,-0.1 -16,-1.9 -18,-0.1 2,-0.3 0.299 99.0 74.7 -95.3 5.5 28.9 30.3 5.7 97 121 A A E < -c 80 0A 11 -3,-1.6 2,-0.4 -18,-0.2 -16,-0.2 -0.867 58.6-167.7-107.1 150.4 28.0 30.1 1.9 98 122 A Y E -c 81 0A 56 -18,-2.1 -16,-2.8 -2,-0.3 2,-0.4 -0.959 6.1-171.0-134.7 120.9 27.5 27.0 -0.2 99 123 A I E c 82 0A 57 -2,-0.4 -16,-0.2 -18,-0.2 -18,-0.0 -0.952 360.0 360.0-111.8 130.4 27.2 27.5 -4.0 100 124 A R 0 0 69 -18,-2.4 -16,-0.6 -2,-0.4 -2,-0.0 -0.982 360.0 360.0-127.9 360.0 26.2 24.5 -6.3 101 ! 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 0.0 102 131 A T > 0 0 112 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 138.7 15.2 16.9 -17.7 103 132 A L H > + 0 0 64 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.909 360.0 52.4 -56.9 -41.1 13.3 19.7 -15.9 104 133 A G H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 112.2 45.6 -58.3 -44.5 11.6 17.0 -13.9 105 134 A G H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.903 116.4 42.0 -68.3 -47.4 15.0 15.5 -13.0 106 135 A V H X S+ 0 0 51 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.859 114.6 53.0 -68.2 -36.5 16.7 18.8 -12.1 107 136 A T H X S+ 0 0 7 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.945 111.4 46.6 -61.6 -47.7 13.5 20.0 -10.2 108 137 A R H X S+ 0 0 23 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.917 113.7 46.9 -62.4 -46.3 13.5 16.8 -8.2 109 138 A A H X S+ 0 0 20 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.861 112.6 50.1 -67.3 -35.6 17.2 17.0 -7.4 110 139 A T H X S+ 0 0 14 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.937 110.6 49.4 -66.8 -46.4 17.0 20.7 -6.4 111 140 A R H X S+ 0 0 27 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.867 113.8 45.3 -60.5 -43.1 14.0 20.1 -4.1 112 141 A E H X S+ 0 0 43 -4,-2.1 4,-1.6 -5,-0.2 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261 A R H X S+ 0 0 94 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.892 114.8 51.0 -61.1 -41.7 7.3 36.1 5.2 233 262 A Q H X S+ 0 0 129 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.937 112.7 45.4 -64.8 -46.2 6.0 38.2 8.1 234 263 A V H X S+ 0 0 44 -4,-3.2 4,-1.2 2,-0.2 6,-0.2 0.964 117.0 43.6 -60.9 -50.7 2.8 39.1 6.3 235 264 A L H <>S+ 0 0 16 -4,-2.8 5,-2.8 -5,-0.3 6,-0.9 0.886 113.5 51.9 -64.0 -39.1 2.1 35.6 5.0 236 265 A T H ><5S+ 0 0 75 -4,-2.7 3,-1.9 -5,-0.2 -1,-0.2 0.930 105.3 54.9 -63.9 -44.8 3.0 34.1 8.4 237 266 A G H 3<5S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.774 111.2 46.0 -59.3 -27.3 0.6 36.4 10.2 238 267 A A T 3<5S- 0 0 47 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.332 114.6-116.3 -92.4 5.9 -2.2 35.2 7.9 239 268 A G T <>5S+ 0 0 49 -3,-1.9 4,-0.7 -4,-0.1 -3,-0.2 0.680 86.9 113.6 63.7 20.3 -1.2 31.5 8.3 240 269 A E H >< + 0 0 95 -5,-2.8 4,-2.3 -6,-0.2 -4,-0.2 0.627 54.9 70.0 -97.1 -15.4 -0.4 31.3 4.6 241 270 A F H > S+ 0 0 7 -6,-0.9 4,-1.7 2,-0.2 -5,-0.1 0.974 109.1 36.5 -67.1 -52.6 3.4 30.8 4.8 242 271 A D H > 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101 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.922 110.5 49.4 -58.1 -45.8 -5.5 5.3 -28.5 295 324 A Q H X S+ 0 0 24 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.853 109.6 52.5 -62.7 -35.3 -2.9 4.1 -31.0 296 325 A I H X S+ 0 0 52 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.936 113.1 43.5 -64.4 -45.7 -0.1 5.6 -28.8 297 326 A L H X S+ 0 0 106 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.923 113.8 51.2 -67.4 -45.2 -1.5 3.8 -25.7 298 327 A E H X S+ 0 0 102 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.932 112.2 46.7 -56.0 -48.8 -1.9 0.5 -27.7 299 328 A I H X S+ 0 0 45 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.898 112.0 49.4 -64.5 -43.2 1.6 0.7 -29.0 300 329 A A H < S+ 0 0 7 -4,-2.3 3,-0.3 1,-0.2 4,-0.3 0.906 112.0 49.9 -56.9 -45.6 3.1 1.5 -25.6 301 330 A N H < S+ 0 0 132 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.818 108.3 52.9 -63.3 -34.5 1.2 -1.5 -24.1 302 331 A L H < S+ 0 0 141 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.759 117.4 36.5 -72.7 -28.2 2.4 -3.9 -26.8 303 332 A T < 0 0 64 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.179 360.0 360.0-115.8 12.6 6.0 -3.0 -26.2 304 333 A D 0 0 153 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