==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAR-09 3GTX . COMPND 2 MOLECULE: ORGANOPHOSPHORUS HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR R.HAWWA,S.LARSEN,K.RATIA,A.MESECAR . 333 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 17 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.6 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 1 0 2 2 1 1 1 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 91 A S 0 0 133 0, 0.0 2,-0.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 83.8 4.1 31.6 -4.2 2 92 A S + 0 0 101 2,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.704 360.0 11.4 -98.1 148.8 1.6 34.2 -5.4 3 93 A G S S- 0 0 65 -2,-0.3 2,-1.0 2,-0.1 0, 0.0 -0.569 117.7 -8.5 89.8-153.8 -0.6 36.3 -3.1 4 94 A L - 0 0 62 -2,-0.2 -2,-0.1 227,-0.1 -1,-0.0 -0.717 69.0-168.0 -86.8 99.5 -0.1 36.8 0.7 5 95 A V - 0 0 52 -2,-1.0 203,-0.1 -4,-0.2 204,-0.1 -0.714 6.6-151.2 -89.9 136.5 2.6 34.2 1.7 6 96 A P + 0 0 11 0, 0.0 -1,-0.2 0, 0.0 203,-0.1 0.810 45.5 100.6 -68.3-114.5 3.1 33.6 5.5 7 97 A R + 0 0 89 3,-0.3 201,-0.1 173,-0.2 173,-0.1 0.511 3.7 141.8 45.2 171.5 6.4 32.5 6.8 8 98 A G S S+ 0 0 67 171,-0.1 172,-0.1 2,-0.1 -1,-0.1 0.371 95.4 17.8 128.6 26.9 9.2 34.3 8.6 9 99 A S S S+ 0 0 61 1,-0.2 2,-0.3 170,-0.1 171,-0.2 -0.214 118.1 20.6-174.5 -83.5 9.8 31.3 10.8 10 100 A H - 0 0 71 169,-0.3 -3,-0.3 1,-0.1 -1,-0.2 -0.828 42.9-164.7-115.4 151.7 8.5 27.8 10.1 11 101 A M + 0 0 95 -2,-0.3 11,-0.5 -4,-0.1 2,-0.3 0.186 62.6 55.6-121.0 18.0 7.4 26.0 6.8 12 102 A T S S- 0 0 48 9,-0.1 9,-0.2 10,-0.1 2,-0.2 -0.996 75.4-104.7-149.4 155.7 5.5 22.8 7.8 13 103 A A E -A 20 0A 2 7,-1.6 7,-2.7 -2,-0.3 2,-0.6 -0.503 22.7-141.7 -80.7 143.9 2.5 21.6 9.8 14 104 A Q E -A 19 0A 31 5,-0.2 88,-0.3 -2,-0.2 5,-0.2 -0.928 26.0-177.6-105.6 116.7 2.9 19.7 13.1 15 105 A T E > -A 18 0A 1 3,-3.0 3,-1.5 -2,-0.6 133,-0.4 -0.562 44.6 -98.2-105.8 175.9 0.3 16.9 13.5 16 106 A V T 3 S+ 0 0 3 84,-2.9 85,-0.1 1,-0.3 3,-0.1 0.722 127.7 45.6 -70.4 -13.1 -0.2 14.6 16.4 17 107 A T T 3 S- 0 0 68 1,-0.4 -1,-0.3 83,-0.3 2,-0.2 0.374 126.0 -88.7-106.8 6.2 1.9 12.0 14.5 18 108 A G E < -A 15 0A 19 -3,-1.5 -3,-3.0 130,-0.2 -1,-0.4 -0.746 68.6 -12.2 125.5-172.9 4.6 14.4 13.6 19 109 A A E -A 14 0A 67 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.394 54.1-172.2 -68.1 140.7 5.7 16.9 11.0 20 110 A V E -A 13 0A 13 -7,-2.7 -7,-1.6 -2,-0.1 5,-0.1 -1.000 23.5-114.9-140.0 138.5 4.0 17.0 7.7 21 111 A A >> - 0 0 43 -2,-0.3 3,-1.9 -9,-0.2 4,-0.6 -0.345 27.3-116.9 -70.0 150.9 4.8 18.9 4.4 22 112 A A G >4 S+ 0 0 33 -11,-0.5 3,-0.9 311,-0.4 4,-0.3 0.864 117.3 57.6 -54.3 -34.6 2.4 21.6 3.2 23 113 A A G 34 S+ 0 0 100 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.631 99.3 58.9 -71.4 -16.5 1.9 19.4 0.1 24 114 A Q G <4 S+ 0 0 103 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.551 81.4 84.0 -90.5 -9.5 0.7 16.4 2.2 25 115 A L << + 0 0 2 -3,-0.9 47,-0.4 -4,-0.6 -1,-0.2 0.817 66.0 179.3 -66.4 -31.1 -2.2 18.1 3.8 26 116 A G - 0 0 13 -4,-0.3 2,-0.1 -3,-0.3 45,-0.1 -0.110 56.0 -8.6 57.8-168.1 -4.6 17.4 1.0 27 117 A A E S-b 71 0B 21 43,-0.7 45,-2.0 1,-0.1 46,-1.5 -0.393 82.7-157.3 -64.0 136.0 -8.3 18.7 1.4 28 118 A T E -b 73 0B 7 296,-2.5 243,-0.3 43,-0.2 46,-0.2 -0.881 28.1-148.7-125.3 144.7 -8.7 19.8 5.0 29 119 A L E -b 74 0B 5 44,-2.1 46,-2.8 -2,-0.3 3,-0.2 -0.942 23.9-164.8-107.2 106.4 -11.5 20.4 7.6 30 120 A P E + 0 0 0 0, 0.0 2,-0.2 0, 0.0 242,-0.1 0.469 69.3 33.3 -74.5 -3.7 -10.1 23.3 9.6 31 121 A H E S+ 0 0 0 240,-0.2 243,-1.9 45,-0.1 242,-0.4 -0.679 75.5 125.7-157.9 100.9 -12.3 23.3 12.6 32 122 A E E -b 76 0B 0 43,-1.9 45,-2.1 -2,-0.2 2,-0.4 -0.860 45.7-131.6-144.8 168.2 -13.7 20.0 14.0 33 123 A H E -d 276 0C 2 242,-1.6 244,-2.3 -2,-0.2 245,-0.3 -0.909 9.3-170.1-131.8 109.9 -13.6 18.2 17.4 34 124 A V E S+ 0 0 0 -2,-0.4 244,-0.9 1,-0.2 243,-0.4 0.993 88.0 2.1 -60.9 -58.3 -12.7 14.4 17.6 35 125 A I E S+d 278 0C 6 242,-0.2 2,-0.3 241,-0.1 -1,-0.2 -0.918 78.8 176.8-123.1 149.3 -13.8 14.3 21.2 36 126 A F E +d 279 0C 4 242,-1.4 244,-2.8 -2,-0.4 2,-0.4 -0.951 10.7 176.3-153.5 138.8 -15.3 17.3 23.1 37 127 A G - 0 0 0 45,-2.0 47,-0.1 -2,-0.3 244,-0.1 -0.998 34.2-117.0-138.9 135.6 -16.8 17.9 26.6 38 128 A Y > - 0 0 122 -2,-0.4 3,-2.4 242,-0.3 4,-0.2 -0.483 55.1 -83.0 -67.4 143.9 -18.0 21.2 28.1 39 129 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 43,-0.1 -0.265 122.1 42.2 -52.0 126.1 -15.9 22.2 31.1 40 130 A G T > S+ 0 0 62 41,-0.2 3,-1.8 -3,-0.1 4,-0.5 0.020 77.7 109.8 119.6 -14.9 -17.3 20.3 34.0 41 131 A Y G X S+ 0 0 73 -3,-2.4 3,-1.7 1,-0.3 7,-0.1 0.863 73.4 60.5 -58.5 -39.5 -17.8 16.9 32.2 42 132 A A G > S+ 0 0 65 1,-0.3 3,-0.8 -4,-0.2 -1,-0.3 0.749 97.3 59.0 -64.0 -14.2 -14.9 15.4 34.2 43 133 A G G < S+ 0 0 72 -3,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.615 100.5 57.0 -87.4 -10.9 -16.8 16.0 37.4 44 134 A D G <> S+ 0 0 48 -3,-1.7 4,-1.6 -4,-0.5 -1,-0.3 -0.131 72.2 120.1-101.4 29.2 -19.7 13.9 36.0 45 135 A V T <4 + 0 0 84 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.1 0.742 59.4 66.2 -67.6 -29.3 -17.3 11.0 35.6 46 136 A T T 4 S+ 0 0 125 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.962 121.4 18.7 -57.8 -53.7 -19.2 8.6 37.9 47 137 A L T 4 S+ 0 0 113 1,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.537 133.4 44.4 -96.4 -5.4 -22.1 8.4 35.6 48 138 A G S < S+ 0 0 8 -4,-1.6 233,-0.7 -7,-0.1 -1,-0.2 -0.262 74.5 163.5-137.1 55.8 -20.5 9.7 32.4 49 139 A P - 0 0 80 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.235 45.4-100.6 -68.5 155.1 -17.1 7.9 32.1 50 140 A F - 0 0 81 230,-0.1 2,-1.0 1,-0.1 3,-0.1 -0.659 25.2-152.1 -81.4 127.6 -15.1 7.8 28.9 51 141 A D > - 0 0 96 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 -0.829 12.7-171.0-100.2 93.2 -15.5 4.4 27.1 52 142 A H H > S+ 0 0 74 -2,-1.0 4,-3.0 1,-0.2 5,-0.2 0.889 80.5 49.8 -55.0 -43.7 -12.2 4.4 25.3 53 143 A A H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 114.0 43.9 -63.7 -43.5 -13.0 1.3 23.2 54 144 A A H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.884 115.8 50.0 -67.7 -38.3 -16.3 2.7 22.0 55 145 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.932 110.6 47.8 -63.5 -51.4 -14.7 6.2 21.4 56 146 A L H X S+ 0 0 43 -4,-3.0 4,-2.2 -5,-0.2 5,-0.2 0.887 114.7 46.9 -59.8 -40.1 -11.8 4.8 19.4 57 147 A A H X S+ 0 0 54 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.915 115.6 43.7 -68.6 -44.7 -14.1 2.7 17.2 58 148 A S H X S+ 0 0 50 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.943 116.5 47.4 -65.9 -46.4 -16.6 5.5 16.6 59 149 A C H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.893 112.3 48.2 -64.2 -41.0 -13.8 8.1 15.9 60 150 A T H X S+ 0 0 8 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.919 109.6 54.0 -68.1 -37.4 -11.9 5.8 13.6 61 151 A E H X S+ 0 0 113 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.915 110.7 45.2 -63.6 -36.9 -15.1 5.0 11.7 62 152 A T H X S+ 0 0 33 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.906 111.3 53.8 -71.3 -36.9 -15.7 8.7 11.2 63 153 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.878 108.3 50.6 -62.0 -41.5 -12.1 9.2 10.2 64 154 A R H X S+ 0 0 107 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.892 106.8 53.1 -65.3 -38.1 -12.5 6.4 7.6 65 155 A A H X S+ 0 0 26 -4,-1.8 4,-1.1 -5,-0.2 -2,-0.2 0.943 110.1 49.5 -61.6 -44.6 -15.6 8.1 6.2 66 156 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 3,-1.0 0.943 108.5 50.6 -59.0 -48.9 -13.6 11.4 5.8 67 157 A L H ><5S+ 0 0 56 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.864 104.5 59.5 -58.9 -34.5 -10.7 9.7 4.0 68 158 A A H 3<5S+ 0 0 82 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.856 103.1 52.1 -62.9 -29.0 -13.2 8.1 1.6 69 159 A R T <<5S- 0 0 87 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.448 125.6-105.0 -85.0 1.0 -14.3 11.7 0.7 70 160 A G T < 5S+ 0 0 38 -3,-1.9 -43,-0.7 1,-0.3 2,-0.5 0.517 75.1 142.1 88.9 1.1 -10.7 12.5 -0.0 71 161 A I E < +b 27 0B 9 -5,-2.0 -1,-0.3 -6,-0.2 -43,-0.2 -0.652 21.1 174.1 -77.7 126.0 -10.3 14.6 3.2 72 162 A Q E + 0 0 94 -45,-2.0 27,-2.4 -2,-0.5 2,-0.4 0.577 56.5 42.2-110.1 -9.5 -6.8 13.9 4.4 73 163 A T E -bc 28 99B 0 -46,-1.5 -44,-2.1 25,-0.2 2,-0.4 -0.996 52.7-170.6-144.4 142.0 -6.5 16.3 7.3 74 164 A V E -bc 29 100B 0 25,-2.4 27,-2.1 -2,-0.4 2,-0.7 -0.996 16.6-145.1-129.1 137.9 -8.5 17.6 10.2 75 165 A V E - c 0 101B 0 -46,-2.8 -43,-1.9 -2,-0.4 2,-0.7 -0.897 16.4-149.0-100.8 111.3 -7.7 20.4 12.5 76 166 A D E -b 32 0B 2 25,-2.9 27,-0.4 -2,-0.7 -43,-0.2 -0.763 12.0-171.4 -84.0 113.4 -9.0 19.6 15.9 77 167 A A + 0 0 0 -45,-2.1 -44,-0.1 -2,-0.7 -1,-0.1 0.213 31.4 142.1 -90.9 10.9 -9.9 23.0 17.5 78 168 A T - 0 0 1 -46,-0.4 25,-0.4 -43,-0.1 5,-0.1 -0.401 47.1-129.9 -64.4 120.8 -10.6 21.6 21.0 79 169 A P > > - 0 0 0 0, 0.0 3,-2.2 0, 0.0 5,-1.2 -0.139 26.6-100.1 -67.9 158.7 -9.4 24.0 23.8 80 170 A N T 3 5S+ 0 0 31 25,-3.0 3,-0.3 1,-0.3 26,-0.1 0.720 121.4 38.1 -49.3 -36.2 -7.2 22.8 26.7 81 171 A G T 3 5S+ 0 0 23 24,-0.2 -1,-0.3 1,-0.2 -41,-0.2 0.162 101.1 77.6-105.9 15.3 -10.1 22.5 29.2 82 172 A C T < 5S- 0 0 0 -3,-2.2 -45,-2.0 -43,-0.1 -1,-0.2 -0.028 124.6 -71.4-113.8 28.6 -12.7 21.1 26.8 83 173 A G T 5 + 0 0 5 -3,-0.3 -3,-0.1 1,-0.2 -2,-0.1 0.445 69.7 172.6 101.2 -0.7 -11.5 17.5 26.5 84 174 A R < + 0 0 43 -5,-1.2 -1,-0.2 -47,-0.1 -48,-0.1 -0.152 0.9 171.0 -44.3 132.3 -8.3 18.0 24.6 85 175 A N > - 0 0 60 -50,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.724 16.7-179.2-150.5 91.3 -6.5 14.7 24.4 86 176 A P H > S+ 0 0 10 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.851 84.7 55.9 -62.0 -34.7 -3.4 14.5 22.1 87 177 A A H > S+ 0 0 43 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.946 109.4 46.8 -63.1 -48.0 -2.7 10.8 23.0 88 178 A F H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.935 111.0 50.3 -58.6 -52.7 -6.2 9.8 21.9 89 179 A L H X S+ 0 0 3 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.842 108.4 54.9 -53.4 -38.8 -6.1 11.8 18.7 90 180 A R H X S+ 0 0 84 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.915 105.2 51.5 -63.9 -43.8 -2.8 10.1 17.9 91 181 A E H X S+ 0 0 67 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.935 111.0 48.8 -56.1 -50.0 -4.3 6.7 18.3 92 182 A V H X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 6,-0.4 0.843 114.7 44.9 -57.3 -36.6 -7.1 7.7 15.9 93 183 A S H X S+ 0 0 5 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.873 113.9 48.4 -78.2 -40.4 -4.5 9.0 13.4 94 184 A E H < S+ 0 0 129 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.917 110.9 51.4 -66.2 -41.1 -2.3 6.0 13.7 95 185 A A H < S+ 0 0 59 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.823 127.7 18.9 -65.2 -28.4 -5.2 3.6 13.3 96 186 A T H < S- 0 0 24 -4,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.642 91.4-119.3-118.4 -22.3 -6.4 5.3 10.1 97 187 A G < + 0 0 54 -4,-2.8 2,-0.3 1,-0.4 -4,-0.1 0.469 65.0 139.1 88.1 -2.4 -3.8 7.5 8.4 98 188 A L - 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0 0 10 -5,-3.1 2,-0.4 4,-0.1 7,-0.2 -0.839 32.3 -86.5 157.2 167.4 5.0 19.1 23.4 142 232 A I S > S- 0 0 3 5,-2.2 3,-2.2 -2,-0.2 5,-0.4 -0.855 98.8 -15.3-105.9 130.5 1.8 18.8 25.4 143 233 A A T 3 S- 0 0 93 -2,-0.4 -1,-0.2 1,-0.3 -6,-0.0 0.785 120.5 -61.8 47.6 40.0 1.8 17.1 28.9 144 234 A G T 3 S+ 0 0 85 -3,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.681 112.0 114.2 65.2 18.4 5.2 15.5 28.4 145 235 A T S < S- 0 0 55 -3,-2.2 -2,-0.1 2,-0.2 3,-0.1 0.596 79.0-125.4 -95.4 -14.8 4.0 13.4 25.4 146 236 A G S S+ 0 0 50 1,-0.3 2,-0.6 -4,-0.2 -3,-0.1 0.399 70.5 128.3 85.0 -10.0 6.1 14.9 22.7 147 237 A I - 0 0 3 -5,-0.4 -5,-2.2 -130,-0.0 -1,-0.3 -0.740 48.2-152.4 -83.8 124.4 2.9 15.6 20.7 148 238 A R - 0 0 70 -2,-0.6 -46,-0.5 -133,-0.4 2,-0.3 -0.729 15.3-111.3-100.8 150.6 2.9 19.2 19.7 149 239 A A - 0 0 2 -12,-2.1 -46,-0.2 -2,-0.3 -134,-0.1 -0.571 19.7-162.0 -75.4 137.4 0.1 21.6 19.0 150 240 A G S S+ 0 0 5 -48,-2.6 2,-0.3 -2,-0.3 -47,-0.2 0.464 73.3 25.1 -96.7 -9.5 -0.2 22.6 15.3 151 241 A V E S-e 103 0D 0 -49,-1.1 -47,-0.8 30,-0.1 2,-0.5 -0.967 72.3-126.7-147.0 157.6 -2.4 25.6 15.9 152 242 A I E -ef 104 183D 0 30,-1.9 32,-2.8 -2,-0.3 2,-0.5 -0.924 27.7-146.5-106.8 129.8 -3.1 28.1 18.7 153 243 A X E - f 0 184D 0 -49,-3.3 2,-0.3 -2,-0.5 -47,-0.3 -0.942 19.5-179.8-102.0 126.1 -6.8 28.3 19.4 154 244 A L E - f 0 185D 2 30,-2.4 32,-1.5 -2,-0.5 2,-0.3 -0.884 2.3-175.0-120.3 154.5 -8.3 31.7 20.6 155 245 A A E - f 0 186D 5 -2,-0.3 2,-0.3 -49,-0.3 -46,-0.2 -0.996 5.3-165.0-152.4 142.5 -11.8 32.7 21.5 156 246 A S - 0 0 0 30,-1.7 -48,-0.2 -2,-0.3 5,-0.2 -0.795 22.6-110.0-124.4 165.7 -13.7 35.8 22.4 157 247 A S - 0 0 22 3,-0.7 31,-0.4 -2,-0.3 -1,-0.1 -0.256 33.4-104.9 -84.6 173.6 -17.1 36.7 24.0 158 248 A R S S+ 0 0 88 1,-0.2 3,-0.1 29,-0.1 34,-0.1 0.937 111.4 38.5 -67.9 -50.7 -20.1 38.3 22.3 159 249 A D S S- 0 0 118 1,-0.2 2,-0.3 32,-0.1 -1,-0.2 0.575 129.3 -22.0 -81.2 -12.2 -20.1 41.8 23.6 160 250 A A - 0 0 45 31,-0.1 2,-1.0 2,-0.0 -3,-0.7 -0.951 69.3 -89.7-179.8 166.9 -16.3 42.4 23.5 161 251 A I - 0 0 14 -2,-0.3 -5,-0.1 -5,-0.2 5,-0.1 -0.877 62.6-134.4 -92.2 103.8 -13.0 40.6 23.6 162 252 A T > - 0 0 23 -2,-1.0 4,-3.5 1,-0.1 5,-0.2 -0.114 13.8-110.7 -64.4 155.8 -12.7 40.6 27.4 163 253 A P H > S+ 0 0 108 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.911 122.9 52.0 -51.1 -41.4 -9.6 41.6 29.4 164 254 A Y H >> S+ 0 0 12 1,-0.2 3,-1.2 2,-0.2 4,-0.7 0.946 111.5 45.7 -59.5 -49.9 -9.4 37.9 30.4 165 255 A E H >> S+ 0 0 2 1,-0.3 4,-1.7 2,-0.2 3,-0.9 0.877 104.5 62.3 -62.8 -37.8 -9.5 36.9 26.7 166 256 A Q H 3X S+ 0 0 61 -4,-3.5 4,-2.2 1,-0.2 -1,-0.3 0.739 90.5 67.4 -63.1 -18.0 -7.0 39.5 25.7 167 257 A L H S- 0 0 26 3,-0.5 3,-0.8 -31,-0.4 5,-0.1 -0.862 76.1 -18.7-105.7 123.4 -19.4 34.2 19.8 189 279 A E T 3 S- 0 0 81 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.851 120.2 -59.6 53.5 41.9 -22.8 34.8 18.2 190 280 A G T 3 S+ 0 0 4 24,-0.3 2,-0.3 -3,-0.3 -1,-0.2 0.817 107.8 115.3 61.9 33.9 -21.4 36.4 15.1 191 281 A Q < + 0 0 81 -3,-0.8 -3,-0.5 -35,-0.1 -1,-0.2 -0.921 54.1 27.9-133.9 160.3 -19.6 39.3 16.8 192 282 A Q > + 0 0 23 -2,-0.3 4,-3.0 -5,-0.1 5,-0.2 0.432 69.7 124.5 76.0 3.0 -16.0 40.5 17.2 193 283 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.960 80.5 42.8 -58.1 -48.2 -14.5 39.1 14.0 194 284 A P H > S+ 0 0 5 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.924 114.4 50.6 -64.2 -42.0 -13.3 42.5 12.9 195 285 A Q H > S+ 0 0 88 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.873 111.2 50.4 -61.7 -40.5 -12.1 43.4 16.4 196 286 A Q H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.903 111.3 45.9 -60.3 -45.7 -10.3 40.1 16.5 197 287 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.939 114.8 49.5 -63.2 -49.6 -8.5 40.6 13.1 198 288 A E H X S+ 0 0 107 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.930 112.7 45.8 -56.8 -51.8 -7.6 44.2 14.1 199 289 A L H X S+ 0 0 28 -4,-2.8 4,-1.6 1,-0.2 6,-0.2 0.925 113.1 48.1 -64.2 -44.6 -6.2 43.2 17.5 200 290 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 -5,-0.2 -1,-0.2 0.932 117.6 40.4 -64.7 -40.8 -4.1 40.2 16.3 201 291 A T H ><5S+ 0 0 38 -4,-2.3 3,-3.3 1,-0.2 -2,-0.2 0.930 111.0 56.2 -71.9 -43.0 -2.6 42.1 13.3 202 292 A S H 3<5S+ 0 0 73 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.843 106.4 54.9 -56.9 -29.7 -2.0 45.3 15.4 203 293 A L T 3<5S- 0 0 56 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.404 125.4-103.6 -84.9 5.1 -0.1 43.0 17.7 204 294 A G T < 5 + 0 0 43 -3,-3.3 -3,-0.2 1,-0.3 -2,-0.1 0.560 68.1 148.8 91.0 3.7 2.2 41.8 14.9 205 295 A A < - 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