==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-MAY-06 2GXQ . COMPND 2 MOLECULE: HEAT RESISTANT RNA DEPENDENT ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS HB27; . AUTHOR M.G.RUDOLPH,D.KLOSTERMEIER . 206 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 14 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 1 0 0 3 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 4 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 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 1 A M 0 0 146 0, 0.0 2,-0.2 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 144.3 -6.6 12.6 17.6 2 2 A E > - 0 0 63 21,-0.2 3,-2.1 1,-0.1 21,-0.3 -0.532 360.0-100.4 -96.5 166.2 -4.7 14.0 14.6 3 3 A F G > S+ 0 0 6 19,-2.8 3,-2.2 1,-0.3 5,-0.2 0.887 122.1 61.8 -56.1 -38.3 -1.0 13.8 14.0 4 4 A K G 3 S+ 0 0 139 18,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.642 93.4 65.4 -63.5 -12.7 -0.6 17.4 15.2 5 5 A D G < S+ 0 0 81 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.452 93.2 73.8 -85.1 -3.6 -1.9 16.2 18.6 6 6 A F S < S- 0 0 14 -3,-2.2 2,-2.3 -4,-0.2 23,-0.0 -0.750 102.6 -94.5-106.0 159.0 1.1 14.0 19.1 7 7 A P + 0 0 88 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.458 69.8 144.1 -78.9 81.9 4.6 15.2 19.9 8 8 A L - 0 0 13 -2,-2.3 -2,-0.0 -5,-0.2 5,-0.0 -0.969 47.3-118.1-121.9 135.9 5.9 15.4 16.4 9 9 A K >> - 0 0 33 -2,-0.4 4,-2.3 1,-0.1 3,-0.9 -0.083 30.6-100.1 -76.5 163.2 8.3 18.1 15.2 10 10 A P H 3> S+ 0 0 83 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.869 117.6 54.5 -57.8 -38.2 7.6 20.6 12.5 11 11 A E H 3> S+ 0 0 61 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.846 111.9 47.0 -70.1 -25.3 9.4 19.0 9.7 12 12 A I H <> S+ 0 0 0 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.923 112.3 46.5 -78.7 -46.1 7.5 15.8 10.3 13 13 A L H X S+ 0 0 49 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.918 113.5 51.3 -61.3 -36.8 4.0 17.4 10.6 14 14 A E H X S+ 0 0 134 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.920 111.1 47.7 -65.8 -43.4 4.9 19.5 7.4 15 15 A A H X S+ 0 0 20 -4,-1.5 4,-0.7 -5,-0.3 -1,-0.2 0.913 112.9 48.6 -63.9 -43.6 5.9 16.3 5.6 16 16 A L H ><>S+ 0 0 2 -4,-2.7 5,-2.5 1,-0.2 3,-1.5 0.969 111.6 48.8 -61.4 -47.4 2.7 14.5 6.7 17 17 A H H ><5S+ 0 0 144 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.884 104.0 61.3 -58.9 -39.9 0.5 17.4 5.7 18 18 A G H 3<5S+ 0 0 63 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.694 109.3 41.9 -62.7 -21.1 2.2 17.5 2.3 19 19 A R T <<5S- 0 0 105 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.259 119.3-107.8-106.4 8.7 1.1 14.0 1.6 20 20 A G T < 5 + 0 0 57 -3,-1.9 2,-0.7 -4,-0.3 -3,-0.2 0.749 69.5 146.9 73.5 23.3 -2.4 14.5 3.0 21 21 A L < + 0 0 53 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.845 5.6 139.4 -98.3 115.9 -1.7 12.4 6.1 22 22 A T + 0 0 66 -2,-0.7 -19,-2.8 1,-0.2 -18,-0.3 0.653 51.6 50.7-124.9 -30.8 -3.6 13.8 9.0 23 23 A T S S- 0 0 71 -21,-0.3 -1,-0.2 -20,-0.1 -21,-0.2 -0.972 75.5-123.2-131.1 116.4 -5.1 11.1 11.2 24 24 A P - 0 0 14 0, 0.0 26,-0.1 0, 0.0 -3,-0.0 -0.258 23.9-123.4 -58.0 142.9 -3.4 8.2 12.7 25 25 A T > - 0 0 43 25,-0.1 4,-3.1 1,-0.1 5,-0.3 -0.297 41.3 -90.4 -71.6 168.7 -4.7 4.8 12.0 26 26 A P H > S+ 0 0 100 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.912 128.2 47.0 -56.0 -42.6 -5.5 2.6 15.0 27 27 A I H > S+ 0 0 1 22,-0.5 4,-2.0 1,-0.2 5,-0.2 0.900 115.3 47.7 -69.1 -33.0 -2.1 1.1 15.4 28 28 A Q H > S+ 0 0 8 21,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.917 110.8 51.0 -67.2 -43.4 -0.5 4.5 15.0 29 29 A A H < S+ 0 0 40 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.900 116.5 39.7 -62.8 -40.0 -2.8 6.1 17.5 30 30 A A H X S+ 0 0 49 -4,-2.4 4,-0.5 -5,-0.3 -1,-0.2 0.830 119.9 45.2 -77.1 -33.6 -2.1 3.5 20.1 31 31 A A H X S+ 0 0 2 -4,-2.0 4,-3.4 -5,-0.3 5,-0.3 0.855 97.0 71.1 -80.8 -37.1 1.6 3.2 19.4 32 32 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.865 92.8 50.5 -59.8 -45.8 2.6 6.8 19.1 33 33 A P H > S+ 0 0 61 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.961 120.4 39.3 -58.0 -40.0 2.4 8.0 22.7 34 34 A L H ><>S+ 0 0 41 -4,-0.5 5,-2.2 -3,-0.2 3,-0.8 0.936 120.1 43.9 -66.9 -55.5 4.5 4.9 23.7 35 35 A A H ><5S+ 0 0 2 -4,-3.4 3,-1.6 1,-0.3 -3,-0.2 0.873 110.8 53.9 -65.5 -38.7 6.9 4.9 20.8 36 36 A L H 3<5S+ 0 0 34 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.725 105.0 56.6 -67.9 -16.9 7.4 8.7 20.9 37 37 A E T <<5S- 0 0 121 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.330 124.7-104.3 -94.1 8.8 8.4 8.4 24.5 38 38 A G T < 5S+ 0 0 30 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.555 71.9 144.5 89.0 5.9 11.1 5.9 23.6 39 39 A K < - 0 0 119 -5,-2.2 -1,-0.3 -6,-0.1 2,-0.2 -0.458 51.5-109.8 -85.4 155.9 9.3 2.8 24.7 40 40 A D - 0 0 4 158,-0.5 161,-1.6 -2,-0.2 2,-0.3 -0.523 38.3-175.0 -83.8 147.7 9.5 -0.6 23.1 41 41 A L E -ab 179 201A 4 137,-1.2 139,-2.4 159,-0.3 2,-0.5 -0.998 25.3-148.8-144.5 143.0 6.4 -2.0 21.3 42 42 A I E -ab 180 202A 15 159,-2.8 161,-2.9 -2,-0.3 2,-0.7 -0.974 19.0-162.7-109.0 123.5 5.2 -5.1 19.6 43 43 A G E -ab 181 203A 3 137,-2.9 139,-2.3 -2,-0.5 2,-1.0 -0.937 4.2-163.1-108.7 110.5 2.8 -4.2 16.8 44 44 A Q E + b 0 204A 36 159,-3.1 161,-2.5 -2,-0.7 162,-0.5 -0.816 46.7 116.1 -95.6 101.1 0.8 -7.2 15.8 45 45 A A - 0 0 2 -2,-1.0 2,-0.3 159,-0.2 139,-0.1 -0.982 52.5-135.9-165.2 151.0 -0.4 -5.9 12.5 46 46 A R > - 0 0 127 -2,-0.3 3,-1.5 1,-0.1 5,-0.3 -0.721 48.6 -68.1-111.9 166.2 -0.3 -6.6 8.8 47 47 A T T 3 S+ 0 0 122 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.252 117.1 49.9 -50.2 141.7 0.2 -4.2 5.9 48 48 A G T 3 S+ 0 0 78 -3,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.124 90.4 83.5 107.0 -17.4 -2.8 -2.0 5.4 49 49 A T S < S- 0 0 33 -3,-1.5 -22,-0.5 -24,-0.1 -21,-0.4 0.524 106.1-107.5 -87.8 -13.4 -3.0 -1.0 9.1 50 50 A G > + 0 0 23 -4,-0.1 4,-1.2 -23,-0.1 3,-0.2 0.709 67.5 148.5 86.2 25.0 -0.4 1.8 8.8 51 51 A K H > + 0 0 5 -5,-0.3 4,-0.9 1,-0.2 5,-0.2 0.848 61.5 64.8 -63.4 -29.5 2.2 -0.1 10.7 52 52 A T H >> S+ 0 0 32 1,-0.3 4,-2.8 2,-0.2 3,-1.3 0.946 104.3 43.4 -61.3 -49.3 5.0 1.5 8.7 53 53 A L H 3> S+ 0 0 8 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.780 100.5 71.5 -67.6 -24.4 4.4 5.0 10.0 54 54 A A H 3< S+ 0 0 1 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.794 116.4 23.2 -59.1 -28.7 3.9 3.5 13.5 55 55 A F H S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.903 112.7 48.2 -54.6 -42.7 9.2 7.5 16.0 59 59 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.958 112.7 48.5 -60.9 -50.3 12.5 7.2 14.1 60 60 A A H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.2 0.874 114.7 45.7 -56.7 -44.9 11.8 10.5 12.4 61 61 A E H < S+ 0 0 49 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.902 114.0 45.6 -71.5 -42.1 11.0 12.2 15.6 62 62 A R H < S+ 0 0 97 -4,-2.4 2,-0.7 -5,-0.2 -2,-0.2 0.828 100.5 74.0 -72.2 -32.0 13.9 10.9 17.7 63 63 A L < - 0 0 0 -4,-2.1 35,-0.1 -5,-0.2 -1,-0.1 -0.761 65.7-158.9 -94.7 117.0 16.6 11.4 15.2 64 64 A A - 0 0 52 -2,-0.7 -2,-0.0 1,-0.1 -3,-0.0 -0.516 37.0 -88.8 -77.8 155.3 17.8 14.9 14.6 65 65 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.260 43.1-172.4 -64.4 156.5 19.6 15.6 11.4 66 66 A S - 0 0 28 32,-0.4 34,-0.1 -3,-0.1 5,-0.0 -0.987 22.5-166.8-144.8 144.5 23.4 15.2 11.1 67 67 A Q + 0 0 158 -2,-0.3 -1,-0.1 2,-0.1 4,-0.0 0.410 41.3 140.2-109.4 4.7 25.6 16.1 8.3 68 68 A E > - 0 0 71 1,-0.1 3,-1.5 2,-0.1 2,-0.1 -0.209 54.7-124.8 -52.9 119.4 28.6 14.1 9.7 69 69 A R T 3 S+ 0 0 189 1,-0.3 51,-0.2 51,-0.1 50,-0.1 -0.419 92.2 12.1 -68.2 140.5 30.3 12.4 6.7 70 70 A G T 3 S+ 0 0 21 49,-2.5 50,-0.4 1,-0.2 -1,-0.3 0.546 91.6 166.9 72.4 9.3 30.6 8.7 7.1 71 71 A R < - 0 0 27 -3,-1.5 50,-1.9 48,-0.4 -1,-0.2 -0.158 35.1-119.2 -62.5 149.2 28.2 8.7 10.1 72 72 A K - 0 0 79 48,-0.2 70,-0.1 1,-0.1 -1,-0.1 -0.612 36.7 -94.1 -88.0 147.4 26.8 5.5 11.3 73 73 A P - 0 0 5 0, 0.0 71,-0.4 0, 0.0 49,-0.2 -0.279 22.6-162.2 -68.8 146.9 23.1 4.9 11.3 74 74 A R S S+ 0 0 37 48,-2.2 72,-3.1 71,-0.2 73,-1.3 0.491 79.0 47.1-102.5 -3.1 21.1 5.7 14.4 75 75 A A E -cd 123 147A 0 47,-1.3 49,-2.3 70,-0.2 2,-0.4 -0.998 62.2-170.7-138.0 140.5 18.1 3.6 13.2 76 76 A L E -cd 124 148A 1 71,-2.2 73,-2.8 -2,-0.4 2,-0.5 -0.998 1.3-174.0-129.5 125.4 18.0 0.1 11.8 77 77 A V E -cd 125 149A 0 47,-2.8 49,-3.0 -2,-0.4 2,-0.4 -0.989 9.4-158.5-117.7 124.4 14.9 -1.4 10.2 78 78 A L E +cd 126 150A 1 71,-3.0 73,-3.0 -2,-0.5 49,-0.2 -0.897 13.5 177.4-103.3 137.0 15.0 -5.0 9.2 79 79 A T - 0 0 0 47,-2.2 73,-0.1 -2,-0.4 6,-0.1 -0.936 33.7-126.6-131.8 154.9 12.6 -6.3 6.6 80 80 A P S S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 47,-0.1 0.762 86.5 36.8 -72.5 -27.8 12.3 -9.8 5.0 81 81 A T S > S- 0 0 50 1,-0.1 4,-2.4 45,-0.1 5,-0.1 -0.892 72.4-123.6-130.1 156.2 12.4 -8.7 1.5 82 82 A R H > S+ 0 0 102 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.889 113.2 57.7 -56.5 -44.5 14.0 -6.2 -0.9 83 83 A E H > S+ 0 0 134 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 110.0 41.4 -59.3 -47.0 10.5 -5.1 -1.9 84 84 A L H > S+ 0 0 16 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.879 111.5 56.6 -72.2 -34.6 9.6 -4.2 1.7 85 85 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.938 111.2 44.0 -57.9 -45.8 13.0 -2.6 2.4 86 86 A L H X S+ 0 0 72 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.908 115.2 47.5 -66.1 -41.5 12.5 -0.3 -0.6 87 87 A Q H X S+ 0 0 107 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.934 114.8 45.5 -65.0 -46.9 9.0 0.5 0.4 88 88 A V H X S+ 0 0 1 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.919 112.0 52.3 -65.8 -42.2 9.8 1.2 4.0 89 89 A A H X S+ 0 0 10 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.921 109.3 50.2 -58.6 -43.7 12.8 3.2 3.1 90 90 A S H X S+ 0 0 79 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.915 112.3 46.7 -60.9 -43.7 10.7 5.3 0.8 91 91 A E H X S+ 0 0 47 -4,-2.2 4,-1.7 2,-0.2 5,-0.2 0.934 112.6 48.4 -67.1 -43.7 8.2 5.9 3.5 92 92 A L H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 3,-0.3 0.932 110.6 52.1 -63.4 -41.4 10.7 6.8 6.1 93 93 A T H < S+ 0 0 70 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.903 108.6 52.8 -57.3 -39.9 12.4 9.1 3.7 94 94 A A H < S+ 0 0 33 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.805 116.0 36.3 -69.9 -31.9 9.1 10.8 3.1 95 95 A V H < S+ 0 0 0 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.570 120.4 49.4 -98.7 -5.3 8.3 11.4 6.7 96 96 A A >< + 0 0 0 -4,-1.6 3,-2.4 -5,-0.2 -1,-0.2 -0.569 57.2 160.1-129.9 67.8 11.8 12.2 7.7 97 97 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.726 76.6 62.4 -60.6 -22.6 13.2 14.7 5.2 98 98 A H T 3 S+ 0 0 31 -3,-0.1 -32,-0.4 -35,-0.1 2,-0.3 0.481 97.4 73.9 -79.9 -3.6 15.8 15.6 7.7 99 99 A L S < S- 0 0 15 -3,-2.4 2,-0.6 -6,-0.2 -3,-0.1 -0.835 73.1-133.3-117.0 147.6 17.3 12.1 7.6 100 100 A K - 0 0 102 -2,-0.3 22,-2.7 -34,-0.1 23,-2.0 -0.898 27.2-166.2 -95.3 117.0 19.4 10.1 5.1 101 101 A V E -e 123 0A 8 -2,-0.6 2,-0.5 21,-0.2 23,-0.2 -0.911 3.7-165.4-106.7 129.9 17.9 6.7 4.7 102 102 A V E -e 124 0A 7 21,-2.7 23,-2.2 -2,-0.5 2,-0.4 -0.977 9.2-147.3-117.0 127.4 19.8 3.9 3.0 103 103 A A E -e 125 0A 19 -2,-0.5 2,-0.4 21,-0.2 23,-0.2 -0.764 12.9-167.6 -90.2 134.9 18.2 0.7 1.8 104 104 A V E +e 126 0A 0 21,-2.8 23,-1.8 -2,-0.4 2,-0.3 -0.986 22.4 138.3-125.5 132.6 20.2 -2.5 1.9 105 105 A Y - 0 0 45 -2,-0.4 3,-0.1 21,-0.2 8,-0.1 -0.978 39.9-112.4-167.8 162.1 19.1 -5.7 0.1 106 106 A G S S+ 0 0 22 -2,-0.3 3,-0.1 1,-0.1 -25,-0.0 -0.070 75.8 80.3 -92.6-164.7 20.3 -8.6 -1.9 107 107 A G S S+ 0 0 76 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.772 96.1 65.1 72.7 21.3 19.7 -9.7 -5.5 108 108 A T S S- 0 0 70 -3,-0.1 -1,-0.3 1,-0.0 -3,-0.0 -0.950 94.5 -73.7-157.5 171.3 22.3 -7.2 -6.6 109 109 A G - 0 0 50 -2,-0.3 4,-0.3 -3,-0.1 3,-0.0 -0.164 36.4-124.0 -69.2 171.5 26.0 -6.4 -6.2 110 110 A Y S > S+ 0 0 79 1,-0.1 4,-1.9 2,-0.1 5,-0.2 0.672 89.1 79.4 -91.6 -21.4 27.6 -5.1 -3.0 111 111 A G H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.870 87.4 48.4 -61.5 -47.9 29.2 -1.9 -4.3 112 112 A K H > S+ 0 0 186 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 116.5 42.0 -65.0 -47.2 26.5 0.7 -4.6 113 113 A Q H > S+ 0 0 14 -4,-0.3 4,-2.7 2,-0.2 5,-0.2 0.889 112.2 55.8 -68.3 -35.5 25.0 0.1 -1.1 114 114 A K H X S+ 0 0 64 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.936 108.9 46.7 -61.0 -43.6 28.5 -0.2 0.4 115 115 A E H X S+ 0 0 95 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.918 110.8 52.0 -69.2 -35.1 29.4 3.2 -1.0 116 116 A A H X S+ 0 0 16 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.925 111.5 47.5 -61.6 -46.4 26.1 4.7 0.3 117 117 A L H >< S+ 0 0 11 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.917 110.0 52.0 -61.6 -42.3 26.7 3.3 3.8 118 118 A L H 3< S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.857 103.1 58.9 -69.6 -26.4 30.3 4.6 3.8 119 119 A R H 3< S- 0 0 162 -4,-1.8 -49,-2.5 -5,-0.2 -48,-0.4 0.816 123.6 -94.8 -67.1 -25.8 29.0 8.1 2.8 120 120 A G << - 0 0 5 -4,-1.0 2,-0.3 -3,-0.7 -48,-0.2 -0.134 41.6-158.6 119.7 144.8 26.9 8.1 5.9 121 121 A A - 0 0 1 -50,-1.9 -20,-0.2 -4,-0.2 3,-0.1 -0.997 19.2-158.9-151.4 150.1 23.4 7.3 6.8 122 122 A D S S+ 0 0 1 -22,-2.7 -48,-2.2 1,-0.4 -47,-1.3 0.771 88.0 19.8 -95.1 -34.8 20.9 8.1 9.6 123 123 A A E -ce 75 101A 0 -23,-2.0 -21,-2.7 -50,-0.2 2,-0.4 -0.998 64.1-159.3-137.4 140.7 18.7 5.1 9.0 124 124 A V E -ce 76 102A 0 -49,-2.3 -47,-2.8 -2,-0.4 2,-0.5 -0.985 0.5-166.6-118.3 131.0 19.3 1.8 7.3 125 125 A V E +ce 77 103A 0 -23,-2.2 -21,-2.8 -2,-0.4 2,-0.3 -0.987 31.0 164.1-116.3 115.7 16.4 -0.3 6.1 126 126 A A E -ce 78 104A 0 -49,-3.0 -47,-2.2 -2,-0.5 -21,-0.2 -0.969 46.3-121.9-138.9 149.6 17.8 -3.7 5.3 127 127 A T > - 0 0 12 -23,-1.8 4,-2.1 -2,-0.3 5,-0.2 -0.629 43.7-117.8 -82.0 151.5 17.2 -7.3 4.6 128 128 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.833 103.8 52.8 -71.6 -33.7 19.1 -9.3 7.2 129 129 A G H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.959 115.0 41.0 -65.9 -50.6 21.5 -11.4 5.1 130 130 A R H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 114.4 53.3 -66.6 -39.7 22.9 -8.4 3.3 131 131 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.939 109.1 48.4 -59.9 -44.7 22.9 -6.3 6.5 132 132 A L H X S+ 0 0 11 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.905 108.5 55.1 -67.4 -34.7 24.9 -9.0 8.3 133 133 A D H X S+ 0 0 42 -4,-2.2 4,-1.9 1,-0.2 6,-0.2 0.962 110.3 45.3 -62.3 -46.9 27.4 -9.2 5.5 134 134 A Y H X>S+ 0 0 0 -4,-2.5 5,-1.7 1,-0.2 6,-1.7 0.863 111.9 51.8 -61.7 -36.8 28.0 -5.5 5.7 135 135 A L H ><5S+ 0 0 43 -4,-2.2 3,-1.1 4,-0.2 -1,-0.2 0.944 112.0 47.0 -60.0 -50.3 28.3 -5.7 9.5 136 136 A R H 3<5S+ 0 0 188 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.792 110.3 52.5 -61.5 -34.4 30.8 -8.5 9.1 137 137 A Q H 3<5S- 0 0 92 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.561 114.5-117.8 -77.8 -13.3 32.7 -6.6 6.5 138 138 A G T <<5S+ 0 0 61 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.525 89.3 108.8 84.7 7.4 32.9 -3.6 8.8 139 139 A V S + 0 0 2 -2,-0.5 3,-1.6 29,-0.2 -1,-0.1 0.257 51.4 105.7-108.8 10.2 25.4 -0.6 14.3 143 143 A S T 3 S+ 0 0 64 1,-0.3 -1,-0.1 29,-0.2 -69,-0.1 0.574 82.6 47.7 -71.0 -13.5 27.1 0.7 17.4 144 144 A R T 3 S+ 0 0 137 -71,-0.4 -1,-0.3 -3,-0.2 2,-0.3 0.236 77.0 135.2-107.9 7.5 25.1 3.9 17.3 145 145 A V < + 0 0 2 -3,-1.6 -70,-0.2 26,-0.2 -71,-0.2 -0.454 21.8 171.0 -64.1 127.3 21.7 2.5 16.7 146 146 A E S S+ 0 0 62 -72,-3.1 31,-2.8 1,-0.3 2,-0.4 0.541 70.9 34.3-104.0 -26.0 19.1 4.1 18.9 147 147 A V E -df 75 177A 0 -73,-1.3 -71,-2.2 29,-0.2 2,-0.4 -0.966 65.0-175.1-137.7 123.0 16.0 2.6 17.3 148 148 A A E -df 76 178A 0 29,-2.8 31,-2.7 -2,-0.4 2,-0.4 -0.972 6.5-167.6-117.3 138.7 15.8 -0.9 15.9 149 149 A V E -df 77 179A 1 -73,-2.8 -71,-3.0 -2,-0.4 2,-0.6 -0.981 14.2-158.9-129.3 128.5 12.8 -2.1 14.1 150 150 A L E -df 78 180A 2 29,-2.5 31,-3.4 -2,-0.4 2,-0.7 -0.957 16.5-165.5 -99.8 114.6 11.9 -5.6 13.1 151 151 A D E S- f 0 181A 0 -73,-3.0 31,-0.2 -2,-0.6 29,-0.1 -0.884 73.0 -1.9-112.0 105.1 9.3 -5.3 10.4 152 152 A E S > S+ 0 0 42 29,-2.2 4,-2.0 -2,-0.7 3,-0.4 0.890 71.4 177.9 77.4 61.8 7.6 -8.6 9.7 153 153 A A H > S+ 0 0 0 28,-2.2 4,-2.4 -3,-0.4 29,-0.2 0.864 77.4 56.5 -62.3 -40.3 9.4 -10.7 12.2 154 154 A D H > S+ 0 0 14 30,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.887 107.9 47.7 -60.8 -40.3 7.3 -13.8 11.3 155 155 A E H > S+ 0 0 79 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.849 107.8 54.4 -66.2 -38.4 8.3 -13.5 7.7 156 156 A M H <>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 6,-0.3 0.929 111.5 47.2 -64.2 -36.9 11.9 -13.1 8.6 157 157 A L H ><5S+ 0 0 40 -4,-2.4 3,-2.0 3,-0.2 5,-0.3 0.945 109.7 51.7 -61.8 -51.3 11.6 -16.4 10.6 158 158 A S H 3<5S+ 0 0 100 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.854 109.3 51.3 -59.0 -34.7 9.8 -18.1 7.7 159 159 A M T 3<5S- 0 0 92 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.487 119.2-111.7 -86.5 6.6 12.6 -17.1 5.4 160 160 A G T < 5S+ 0 0 41 -3,-2.0 3,-0.3 -4,-0.2 -3,-0.2 0.773 75.9 131.8 74.8 31.0 15.2 -18.5 7.8 161 161 A F >< + 0 0 37 -5,-2.8 4,-2.9 1,-0.2 5,-0.3 0.184 29.8 114.1 -97.2 16.8 16.8 -15.2 8.9 162 162 A E H > S+ 0 0 63 -5,-0.3 4,-2.4 -6,-0.3 -1,-0.2 0.902 77.7 44.2 -55.7 -48.4 16.7 -15.9 12.6 163 163 A E H > S+ 0 0 151 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.879 114.8 49.9 -67.7 -36.3 20.4 -16.0 13.1 164 164 A E H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.931 111.2 48.4 -66.1 -46.8 21.0 -12.9 11.0 165 165 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.933 113.3 47.4 -59.8 -46.2 18.3 -11.0 12.8 166 166 A E H X S+ 0 0 58 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.902 111.6 50.1 -62.2 -42.1 19.7 -12.0 16.2 167 167 A A H X S+ 0 0 39 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.913 112.4 48.5 -63.1 -40.6 23.3 -11.1 15.1 168 168 A L H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 4,-0.4 0.947 113.0 45.9 -67.4 -47.2 22.2 -7.7 13.9 169 169 A L H >< S+ 0 0 2 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.901 108.5 57.1 -60.1 -39.8 20.3 -7.0 17.0 170 170 A S H 3< S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.748 101.7 57.9 -63.5 -23.2 23.2 -8.2 19.1 171 171 A A T << S+ 0 0 36 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.519 94.3 80.9 -82.1 -10.8 25.4 -5.6 17.4 172 172 A T S < S- 0 0 6 -3,-1.5 -29,-0.2 -4,-0.4 -26,-0.1 -0.674 94.1 -97.2 -94.0 154.4 23.2 -2.7 18.5 173 173 A P > - 0 0 31 0, 0.0 3,-2.3 0, 0.0 -2,-0.1 -0.484 23.0-133.2 -70.2 138.1 23.4 -1.2 21.9 174 174 A P T 3 S+ 0 0 99 0, 0.0 4,-0.1 0, 0.0 -28,-0.0 0.695 101.2 75.8 -67.5 -11.0 20.8 -2.4 24.4 175 175 A S T 3 S+ 0 0 93 -30,-0.1 -29,-0.1 2,-0.1 -3,-0.0 0.658 80.2 105.9 -67.4 -14.1 20.1 1.1 25.3 176 176 A R S < S- 0 0 12 -3,-2.3 2,-0.4 -31,-0.2 -29,-0.2 -0.097 77.2-113.2 -60.0 164.4 18.2 1.3 22.1 177 177 A Q E - f 0 147A 3 -31,-2.8 -29,-2.8 -138,-0.1 2,-0.4 -0.799 33.3-158.3 -88.2 138.5 14.5 1.4 21.6 178 178 A T E - f 0 148A 2 -2,-0.4 -137,-1.2 -31,-0.2 2,-0.4 -0.987 11.0-172.7-127.0 133.2 13.2 -1.7 19.8 179 179 A L E -af 41 149A 0 -31,-2.7 -29,-2.5 -2,-0.4 2,-0.5 -0.984 6.0-166.1-123.1 133.1 10.0 -2.0 17.9 180 180 A L E -af 42 150A 2 -139,-2.4 -137,-2.9 -2,-0.4 2,-0.5 -0.988 2.8-171.3-125.9 124.2 8.8 -5.4 16.6 181 181 A F E +af 43 151A 2 -31,-3.4 -28,-2.2 -2,-0.5 -29,-2.2 -0.955 20.0 143.9-117.8 135.6 6.1 -5.8 14.0 182 182 A S - 0 0 0 -139,-2.3 -137,-0.1 -2,-0.5 -136,-0.1 -0.937 45.1-142.9-167.8 137.5 4.6 -9.0 13.1 183 183 A A S S+ 0 0 7 -2,-0.3 2,-0.3 -139,-0.2 -137,-0.1 0.888 95.5 29.1 -69.4 -42.5 1.2 -10.3 12.2 184 184 A T S S- 0 0 61 -139,-0.1 -30,-0.3 -3,-0.1 -139,-0.1 -0.851 72.4-141.7-118.6 157.0 1.9 -13.5 14.1 185 185 A L - 0 0 28 -2,-0.3 5,-0.1 -32,-0.1 -141,-0.0 -0.674 22.4-176.6-121.4 74.2 4.0 -14.2 17.1 186 186 A P >> - 0 0 36 0, 0.0 4,-2.2 0, 0.0 3,-0.6 -0.227 46.3 -96.6 -64.1 163.5 5.7 -17.6 16.7 187 187 A S H 3> S+ 0 0 77 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.838 124.3 57.2 -58.7 -34.3 7.8 -18.7 19.7 188 188 A W H 3> S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.902 108.6 47.1 -59.7 -43.9 11.1 -17.4 18.1 189 189 A A H <> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.884 111.0 51.5 -65.6 -36.2 9.5 -13.9 17.8 190 190 A K H X S+ 0 0 110 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.923 112.2 46.1 -64.6 -43.2 8.3 -14.2 21.4 191 191 A R H X S+ 0 0 134 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.884 109.8 54.8 -62.7 -38.5 11.8 -15.1 22.5 192 192 A L H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.922 109.8 47.3 -62.9 -41.9 13.3 -12.4 20.4 193 193 A A H X S+ 0 0 9 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.906 111.7 49.5 -64.6 -43.5 11.0 -10.0 22.2 194 194 A E H < S+ 0 0 151 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.893 119.5 37.4 -63.2 -41.0 11.9 -11.3 25.6 195 195 A R H < S+ 0 0 181 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.881 127.9 29.7 -78.6 -40.3 15.7 -11.1 24.9 196 196 A Y H < S+ 0 0 24 -4,-2.9 2,-0.3 -5,-0.2 -3,-0.2 0.342 107.6 69.7-109.7 1.7 15.9 -7.9 22.9 197 197 A M < - 0 0 18 -4,-1.4 2,-0.7 -5,-0.2 -20,-0.1 -0.859 69.6-128.9-125.8 159.6 13.1 -5.7 24.1 198 198 A K S S- 0 0 95 -2,-0.3 -158,-0.5 -20,-0.2 -20,-0.1 -0.890 76.3 -49.1-111.1 96.8 12.4 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