==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 01-JUL-13 4BWA . COMPND 2 MOLECULE: PYRROLYSINE--TRNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA MAZEI; . AUTHOR S.SCHNEIDER,M.VRABEL,M.J.GATTNER,V.FLUEGEL,V.LOPEZ-CARILLO,T . 260 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 17.3 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 0 0 1 0 1 1 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 2 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 1 187 A A 0 0 114 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 87.8 21.5 87.8 -7.8 2 188 A P - 0 0 125 0, 0.0 3,-0.1 0, 0.0 25,-0.1 -0.463 360.0-102.5 -67.7 142.3 22.5 89.3 -11.2 3 189 A A - 0 0 90 1,-0.1 2,-0.2 -2,-0.1 22,-0.1 -0.195 44.6 -95.3 -56.4 153.0 25.4 91.8 -11.0 4 190 A L - 0 0 39 20,-0.2 -1,-0.1 -3,-0.1 2,-0.1 -0.532 39.9-122.1 -68.5 143.0 24.4 95.5 -11.1 5 191 A T > - 0 0 72 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.356 24.8-107.7 -75.2 165.8 24.6 97.0 -14.6 6 192 A K H > S+ 0 0 147 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.894 120.6 49.1 -64.4 -39.1 26.8 100.0 -15.2 7 193 A S H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 110.6 52.2 -68.5 -36.3 23.7 102.4 -15.5 8 194 A Q H > S+ 0 0 55 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.944 110.1 46.6 -63.5 -45.4 22.3 101.0 -12.3 9 195 A T H X S+ 0 0 30 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.884 110.4 54.0 -67.2 -37.7 25.5 101.6 -10.4 10 196 A D H X S+ 0 0 72 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.903 108.9 50.0 -55.0 -43.6 25.6 105.1 -11.9 11 197 A R H X S+ 0 0 62 -4,-2.2 4,-1.0 1,-0.2 3,-0.3 0.917 110.7 48.3 -62.7 -43.1 22.1 105.6 -10.6 12 198 A L H X S+ 0 0 0 -4,-2.4 4,-0.8 1,-0.2 3,-0.3 0.850 105.4 59.0 -67.5 -29.9 23.0 104.4 -7.1 13 199 A E H < S+ 0 0 93 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.796 99.5 57.7 -73.8 -25.1 26.1 106.7 -7.1 14 200 A V H < S+ 0 0 41 -4,-1.3 245,-0.5 -3,-0.3 -1,-0.2 0.866 112.6 40.5 -64.6 -36.7 23.9 109.7 -7.5 15 201 A L H < S+ 0 0 0 -4,-1.0 2,-0.2 -3,-0.3 -2,-0.2 0.530 96.0 107.9 -91.2 -9.2 22.1 108.7 -4.3 16 202 A L < - 0 0 43 -4,-0.8 243,-0.1 -5,-0.1 3,-0.0 -0.507 50.8-161.6 -77.0 135.8 25.3 107.7 -2.5 17 203 A N > - 0 0 37 -2,-0.2 3,-1.7 1,-0.1 4,-0.3 -0.874 28.0-118.5-108.4 151.1 26.7 109.8 0.3 18 204 A P G > S+ 0 0 71 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.904 112.3 47.0 -54.7 -47.9 30.3 109.4 1.6 19 205 A K G 3 S+ 0 0 88 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 0.121 82.7 105.0 -81.4 21.6 29.4 108.3 5.1 20 206 A D G < - 0 0 17 -3,-1.7 -1,-0.2 2,-0.1 3,-0.1 0.906 67.0-149.1 -71.1 -43.2 26.9 105.7 4.0 21 207 A E < + 0 0 184 -3,-0.5 2,-0.4 -4,-0.3 -2,-0.1 0.958 48.6 134.3 67.5 54.2 28.9 102.5 4.6 22 208 A I - 0 0 65 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.924 39.8-162.4-139.5 109.8 27.2 100.6 1.8 23 209 A S - 0 0 90 -2,-0.4 3,-0.0 1,-0.1 0, 0.0 -0.780 14.0-145.6 -90.7 139.8 29.2 98.5 -0.8 24 210 A L S S+ 0 0 34 -2,-0.4 2,-0.9 1,-0.2 3,-0.2 0.514 83.7 71.1 -95.3 -10.5 27.2 97.7 -3.9 25 211 A N + 0 0 106 1,-0.2 -1,-0.2 -22,-0.1 -22,-0.1 -0.683 69.6 111.5 -99.1 76.7 28.4 94.2 -4.9 26 212 A S S S- 0 0 92 -2,-0.9 2,-0.2 2,-0.2 -1,-0.2 0.243 87.3 -95.0-139.3 11.4 26.6 92.6 -1.9 27 213 A G S S+ 0 0 52 1,-0.2 -3,-0.1 -3,-0.2 -2,-0.0 -0.296 81.0 112.8 109.7 -49.1 23.6 90.4 -3.2 28 214 A K - 0 0 119 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.2 -0.269 69.9-101.1 -69.0 145.1 20.4 92.6 -3.0 29 215 A P >> - 0 0 55 0, 0.0 4,-2.2 0, 0.0 3,-0.5 -0.199 29.3-110.3 -59.1 152.2 18.6 93.7 -6.2 30 216 A F H 3> S+ 0 0 36 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.892 115.7 58.9 -38.1 -55.0 18.9 97.2 -7.6 31 217 A R H 3> S+ 0 0 185 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.848 108.4 44.2 -58.0 -38.3 15.4 98.1 -6.6 32 218 A E H <> S+ 0 0 111 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.911 114.4 48.8 -71.2 -43.8 16.0 97.4 -2.9 33 219 A L H X S+ 0 0 16 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.931 114.6 46.8 -59.2 -43.3 19.4 99.2 -3.0 34 220 A E H X S+ 0 0 49 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.901 112.4 49.5 -62.8 -41.9 17.7 102.2 -4.7 35 221 A S H X S+ 0 0 73 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.888 109.3 51.7 -70.3 -39.3 14.8 102.2 -2.3 36 222 A E H X S+ 0 0 89 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.933 112.2 46.1 -59.4 -47.5 17.1 102.1 0.7 37 223 A L H X S+ 0 0 3 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.837 109.9 52.9 -71.7 -34.5 19.1 105.1 -0.6 38 224 A L H X S+ 0 0 31 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.929 107.8 52.3 -60.8 -46.2 16.1 107.2 -1.5 39 225 A S H X S+ 0 0 63 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.914 112.1 45.5 -58.4 -42.6 14.7 106.7 2.0 40 226 A R H X S+ 0 0 72 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.846 112.3 49.9 -68.9 -38.6 17.9 107.9 3.5 41 227 A R H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.906 108.2 52.7 -73.8 -37.8 18.3 110.9 1.2 42 228 A K H X S+ 0 0 97 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.923 110.1 49.8 -55.5 -47.3 14.7 112.0 1.9 43 229 A K H X S+ 0 0 136 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.891 107.3 54.8 -56.4 -45.7 15.5 111.9 5.6 44 230 A D H X S+ 0 0 51 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.932 110.6 44.3 -55.9 -51.3 18.7 113.9 5.0 45 231 A L H X S+ 0 0 49 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.843 110.9 55.1 -63.2 -36.0 16.7 116.7 3.3 46 232 A Q H X S+ 0 0 113 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.913 107.7 49.3 -63.2 -42.6 14.0 116.6 6.0 47 233 A Q H X>S+ 0 0 114 -4,-2.5 4,-2.4 2,-0.2 5,-0.6 0.904 111.3 49.2 -61.0 -43.7 16.7 117.1 8.7 48 234 A I H <>S+ 0 0 23 -4,-2.0 5,-0.7 1,-0.2 -2,-0.2 0.930 113.7 46.5 -62.0 -45.3 18.1 120.1 6.8 49 235 A Y H <5S+ 0 0 177 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.854 116.6 44.3 -67.3 -33.9 14.7 121.5 6.4 50 236 A A H <5S+ 0 0 71 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.815 132.3 9.8 -78.1 -31.8 13.8 120.9 10.1 51 237 A E T <5S+ 0 0 126 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.801 128.7 19.7-120.0 -64.9 17.1 122.2 11.6 52 238 A E T < + 0 0 84 -5,-0.6 -3,-0.1 1,-0.1 -4,-0.1 0.992 55.9 177.6 -80.8 -70.0 19.8 124.0 9.5 53 239 A R < + 0 0 139 -5,-0.7 2,-0.3 1,-0.3 -1,-0.1 0.366 39.0 123.6 80.3 -1.7 18.2 125.4 6.3 54 240 A E - 0 0 66 -6,-0.1 2,-0.3 1,-0.0 -1,-0.3 -0.654 63.0-122.9 -92.0 143.2 21.4 127.1 5.0 55 241 A N > - 0 0 64 -2,-0.3 4,-3.2 1,-0.1 5,-0.2 -0.674 18.4-131.0 -81.8 137.6 22.9 126.4 1.7 56 242 A Y H > S+ 0 0 75 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.874 106.1 47.7 -58.4 -38.6 26.5 125.2 1.9 57 243 A L H > S+ 0 0 16 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.867 115.1 44.0 -74.9 -38.7 27.7 127.6 -0.7 58 244 A G H > S+ 0 0 18 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.918 114.6 51.5 -68.1 -43.2 26.0 130.6 0.8 59 245 A K H X S+ 0 0 56 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.918 109.7 48.6 -62.0 -42.0 27.1 129.5 4.3 60 246 A L H X S+ 0 0 6 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.926 108.0 54.1 -65.7 -43.2 30.7 129.2 3.2 61 247 A E H X S+ 0 0 51 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.889 110.4 47.8 -55.2 -40.7 30.7 132.6 1.5 62 248 A R H X S+ 0 0 124 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.861 110.9 49.8 -73.1 -34.4 29.5 134.1 4.8 63 249 A E H X S+ 0 0 62 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.929 112.9 46.8 -68.4 -41.6 32.1 132.3 6.9 64 250 A I H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.895 110.9 53.2 -66.2 -37.6 34.9 133.4 4.6 65 251 A T H X S+ 0 0 14 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.916 108.4 49.1 -63.8 -44.3 33.5 137.0 4.6 66 252 A R H X S+ 0 0 134 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.920 109.9 53.2 -63.9 -41.7 33.5 137.1 8.4 67 253 A F H X S+ 0 0 27 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.936 114.6 38.9 -61.2 -48.2 37.1 135.8 8.4 68 254 A F H <>S+ 0 0 0 -4,-2.4 5,-3.0 2,-0.2 -2,-0.2 0.882 114.3 52.6 -74.4 -35.6 38.5 138.5 6.0 69 255 A V H ><5S+ 0 0 51 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.951 109.8 50.3 -62.0 -45.9 36.5 141.3 7.4 70 256 A D H 3<5S+ 0 0 113 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.762 107.4 54.8 -63.6 -23.9 37.7 140.5 10.9 71 257 A R T 3<5S- 0 0 80 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.267 129.6 -91.5 -96.4 11.5 41.3 140.4 9.7 72 258 A G T < 5S+ 0 0 49 -3,-1.8 2,-0.4 1,-0.3 62,-0.3 0.563 79.7 137.8 95.7 9.6 41.1 144.0 8.2 73 259 A F < - 0 0 8 -5,-3.0 2,-0.4 -6,-0.1 62,-0.3 -0.739 49.5-128.7 -95.8 138.2 39.9 143.3 4.6 74 260 A L E -a 135 0A 81 60,-2.5 62,-2.4 -2,-0.4 2,-0.4 -0.716 22.9-125.1 -87.4 129.6 37.2 145.4 2.8 75 261 A E E -a 136 0A 89 -2,-0.4 2,-0.4 60,-0.2 62,-0.2 -0.580 27.5-163.2 -78.9 121.4 34.4 143.4 1.2 76 262 A I E -a 137 0A 5 60,-3.0 62,-0.6 -2,-0.4 2,-0.3 -0.822 17.7-175.3-106.1 143.1 33.9 144.2 -2.5 77 263 A K + 0 0 113 -2,-0.4 3,-0.1 60,-0.1 60,-0.1 -0.844 24.3 166.6-131.4 100.5 30.9 143.5 -4.7 78 264 A S - 0 0 14 -2,-0.3 40,-0.0 1,-0.2 39,-0.0 -0.582 44.1 -63.8-110.7 169.5 31.7 144.5 -8.2 79 265 A P - 0 0 84 0, 0.0 -1,-0.2 0, 0.0 38,-0.1 -0.179 29.7-160.0 -59.3 142.1 30.0 143.7 -11.6 80 266 A I S S+ 0 0 65 1,-0.1 31,-2.5 -3,-0.1 2,-0.7 0.826 85.2 63.3 -85.0 -36.8 29.8 140.1 -12.8 81 267 A L E S+G 110 0B 84 29,-0.2 29,-0.2 27,-0.0 -1,-0.1 -0.807 78.8 172.0 -91.2 113.9 29.2 141.2 -16.3 82 268 A I E -G 109 0B 2 27,-2.6 27,-2.7 -2,-0.7 2,-0.2 -0.730 35.9 -85.5-125.1 167.9 32.4 143.1 -17.5 83 269 A P E > -G 108 0B 34 0, 0.0 3,-1.2 0, 0.0 4,-0.5 -0.521 28.3-133.6 -73.2 140.9 34.0 144.6 -20.6 84 270 A L T >> S+ 0 0 17 23,-2.6 4,-2.1 1,-0.2 3,-1.7 0.827 103.1 72.3 -57.5 -34.1 36.1 142.4 -22.8 85 271 A E H 3> S+ 0 0 83 22,-0.4 4,-3.4 1,-0.3 -1,-0.2 0.818 88.1 60.6 -52.6 -35.6 38.8 145.1 -22.8 86 272 A Y H <4 S+ 0 0 53 -3,-1.2 4,-0.5 2,-0.2 -1,-0.3 0.785 107.8 45.9 -63.8 -27.7 39.6 144.2 -19.1 87 273 A I H X4>S+ 0 0 7 -3,-1.7 5,-0.9 -4,-0.5 3,-0.5 0.897 112.1 48.1 -80.7 -45.6 40.5 140.7 -20.4 88 274 A E H ><5S+ 0 0 98 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.963 110.1 54.8 -52.2 -52.4 42.5 141.9 -23.3 89 275 A R T 3<5S+ 0 0 50 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.737 94.6 70.4 -50.8 -28.4 44.2 144.2 -20.8 90 276 A M T < 5S- 0 0 67 -3,-0.5 -1,-0.3 -4,-0.5 2,-0.2 -0.055 128.2 -89.0 -85.1 32.5 45.1 141.2 -18.7 91 277 A G T < 5S+ 0 0 45 -3,-0.9 -3,-0.1 1,-0.2 -2,-0.1 -0.137 93.3 119.0 92.2 -37.3 47.7 140.0 -21.3 92 278 A I < - 0 0 48 -5,-0.9 2,-0.2 -2,-0.2 -1,-0.2 -0.192 41.7-166.5 -72.5 149.3 45.2 137.9 -23.4 93 279 A D - 0 0 112 -3,-0.1 5,-0.2 2,-0.1 -1,-0.0 -0.759 45.0 -91.4-119.9 175.4 44.3 138.4 -27.1 94 280 A N 0 0 115 -2,-0.2 -2,-0.0 1,-0.1 -6,-0.0 0.417 360.0 360.0 -69.7 2.4 41.5 137.0 -29.2 95 281 A D 0 0 182 3,-0.0 3,-0.5 4,-0.0 4,-0.2 0.227 360.0 360.0-140.2 360.0 43.9 134.2 -30.1 96 ! 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 97 284 A L > 0 0 94 0, 0.0 3,-1.4 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 -56.9 42.8 130.6 -23.2 98 285 A S G > + 0 0 15 -3,-0.5 3,-1.2 1,-0.3 -4,-0.0 0.653 360.0 67.1 -74.3 -21.4 40.4 133.0 -25.0 99 286 A K G 3 S+ 0 0 93 1,-0.2 -1,-0.3 -4,-0.2 -5,-0.0 0.491 90.7 72.2 -74.0 -2.8 37.9 130.4 -26.4 100 287 A Q G < S+ 0 0 69 -3,-1.4 44,-2.4 43,-0.1 2,-0.4 0.476 76.0 100.4 -85.2 -6.2 37.0 129.9 -22.6 101 288 A I < - 0 0 15 -3,-1.2 2,-1.0 42,-0.2 42,-0.1 -0.689 68.6-137.3 -89.7 135.5 35.2 133.3 -22.3 102 289 A F - 0 0 46 8,-0.5 8,-2.3 -2,-0.4 2,-0.2 -0.765 24.7-157.4 -84.9 99.5 31.4 133.6 -22.3 103 290 A R B -H 109 0B 108 -2,-1.0 6,-0.3 6,-0.2 3,-0.1 -0.563 16.2-178.4 -73.3 141.4 30.9 136.7 -24.5 104 291 A V - 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0 0 7 -5,-2.4 -1,-0.2 2,-0.0 -2,-0.1 -0.971 47.5-130.4-119.9 123.8 41.0 121.9 5.3 186 373 A D + 0 0 129 -2,-0.5 2,-0.3 52,-0.1 52,-0.0 -0.389 39.7 158.2 -67.9 145.7 44.4 120.2 4.9 187 374 A F - 0 0 38 13,-0.1 2,-0.3 -2,-0.1 13,-0.2 -0.988 31.9-150.8-160.1 160.1 46.8 121.7 2.3 188 375 A K E -D 199 0A 121 11,-2.0 11,-2.9 -2,-0.3 2,-0.5 -0.974 22.1-130.5-133.4 154.4 50.3 122.1 1.2 189 376 A I E +D 198 0A 36 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.896 37.0 152.5-107.2 129.9 51.9 125.1 -0.7 190 377 A V - 0 0 75 7,-3.2 -1,-0.1 -2,-0.5 8,-0.1 0.670 33.8-125.9-120.4 -89.9 53.9 124.5 -3.8 191 378 A G 0 0 32 1,-0.1 5,-0.2 3,-0.1 16,-0.0 -0.035 360.0 360.0 125.8 124.6 54.4 126.9 -6.8 192 379 A D 0 0 105 -2,-0.1 4,-0.1 0, 0.0 -1,-0.1 -0.506 360.0 360.0-136.2 360.0 53.9 126.6 -10.6 193 ! 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 0.0 194 386 A D 0 0 103 0, 0.0 16,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.5 56.9 134.4 -6.8 195 387 A T E - E 0 209A 65 14,-0.2 2,-0.3 -5,-0.1 14,-0.2 -0.976 360.0-172.4-118.6 132.3 53.9 132.1 -7.9 196 388 A L E - 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F 0 226A 15 -16,-2.1 16,-0.2 -2,-0.4 -41,-0.1 -0.986 48.4-128.4-114.3 117.4 53.4 138.1 -4.8 211 403 A G S S+ 0 0 13 14,-2.4 2,-0.1 -2,-0.5 16,-0.0 -0.056 75.5 105.0 -78.7-174.2 53.9 141.1 -7.0 212 404 A P - 0 0 89 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 0.498 49.2-179.1 -81.3 158.2 54.9 143.2 -8.6 213 405 A R > - 0 0 92 -2,-0.1 3,-1.8 1,-0.1 4,-0.2 -0.892 37.0-115.9-115.8 151.2 54.1 141.9 -12.1 214 406 A P G > S+ 0 0 120 0, 0.0 3,-1.2 0, 0.0 4,-0.1 0.891 111.3 58.0 -60.6 -39.0 55.0 143.8 -15.2 215 407 A L G > S+ 0 0 87 1,-0.3 3,-1.1 2,-0.1 4,-0.3 0.390 75.3 100.2 -75.8 6.8 51.4 144.4 -16.4 216 408 A D G X >S+ 0 0 20 -3,-1.8 3,-2.2 1,-0.2 5,-2.1 0.853 71.4 65.8 -49.9 -38.8 50.6 146.1 -13.1 217 409 A R G X 5S+ 0 0 98 -3,-1.2 3,-1.3 1,-0.3 -1,-0.2 0.767 86.7 69.3 -64.6 -23.9 51.0 149.5 -14.9 218 410 A E G < 5S+ 0 0 109 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.652 106.3 39.6 -65.2 -16.2 47.9 148.7 -17.1 219 411 A W G < 5S- 0 0 18 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.193 121.3-105.7-114.0 11.9 45.8 149.1 -13.9 220 412 A G T < 5S+ 0 0 43 -3,-1.3 2,-0.5 1,-0.3 -3,-0.2 0.755 74.1 145.4 68.0 26.2 47.7 152.1 -12.6 221 413 A I < + 0 0 14 -5,-2.1 -1,-0.3 -6,-0.1 -2,-0.2 -0.856 12.8 152.3 -98.9 123.7 49.4 149.9 -10.0 222 414 A D + 0 0 141 -2,-0.5 -1,-0.1 -3,-0.1 -5,-0.1 0.093 48.1 87.5-136.7 24.0 53.0 150.7 -9.0 223 415 A K S S- 0 0 63 1,-0.1 2,-0.1 -7,-0.1 -58,-0.1 -0.673 86.0 -85.5-111.6 168.7 53.2 149.4 -5.4 224 416 A P + 0 0 68 0, 0.0 -60,-2.8 0, 0.0 2,-0.3 -0.485 54.9 171.0 -67.5 148.2 54.0 146.0 -3.9 225 417 A W E -C 163 0A 39 -62,-0.2 -14,-2.4 -58,-0.2 2,-0.3 -0.963 24.6-159.1-152.8 164.9 51.1 143.6 -3.6 226 418 A I E +CF 162 210A 0 -64,-1.8 -64,-2.4 -2,-0.3 2,-0.3 -0.976 19.8 167.6-145.6 146.5 50.1 140.0 -2.8 227 419 A G E -CF 161 209A 5 -18,-2.4 -18,-2.6 -2,-0.3 2,-0.3 -0.986 14.6-167.0-156.8 162.5 46.9 138.2 -3.8 228 420 A A E -CF 160 208A 2 -68,-1.8 -68,-2.2 -2,-0.3 2,-0.4 -0.958 9.2-151.1-157.2 138.5 45.3 134.8 -4.0 229 421 A G E -CF 159 207A 17 -22,-2.4 -22,-1.1 -2,-0.3 2,-0.4 -0.940 14.4-173.9-112.4 136.3 42.2 133.2 -5.6 230 422 A F E -CF 158 206A 1 -72,-3.0 -72,-2.8 -2,-0.4 2,-0.6 -0.980 22.3-131.1-127.3 140.6 40.3 130.2 -4.1 231 423 A G E > -C 157 0A 12 -26,-1.6 4,-2.1 -2,-0.4 -74,-0.2 -0.789 10.6-156.3 -91.9 118.8 37.4 128.2 -5.6 232 424 A L H > S+ 0 0 0 -76,-2.7 4,-2.4 -2,-0.6 5,-0.2 0.882 93.6 53.4 -61.8 -39.6 34.6 127.8 -3.0 233 425 A E H > S+ 0 0 3 -77,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.876 107.6 51.4 -64.0 -37.6 33.2 124.7 -4.7 234 426 A R H > S+ 0 0 42 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.943 109.7 50.6 -61.3 -46.6 36.7 123.1 -4.6 235 427 A L H X S+ 0 0 2 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.909 111.5 48.1 -56.6 -43.3 36.8 123.9 -0.9 236 428 A L H X S+ 0 0 4 -4,-2.4 4,-3.2 2,-0.2 6,-0.3 0.918 106.2 56.8 -64.4 -42.8 33.4 122.3 -0.4 237 429 A K H <>S+ 0 0 32 -4,-2.5 5,-1.9 1,-0.2 4,-0.3 0.874 115.1 38.8 -54.7 -41.2 34.3 119.2 -2.3 238 430 A V H ><5S+ 0 0 26 -4,-1.8 3,-0.5 3,-0.2 -2,-0.2 0.904 115.1 51.4 -77.5 -45.9 37.2 118.7 0.1 239 431 A K H 3<5S+ 0 0 101 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.923 122.8 31.0 -57.0 -43.8 35.4 119.7 3.2 240 432 A H T 3<5S- 0 0 39 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.331 106.3-122.5-103.6 4.1 32.4 117.4 2.6 241 433 A D T < 5 + 0 0 117 -3,-0.5 2,-0.2 -4,-0.3 -3,-0.2 0.876 43.4 179.3 62.2 41.1 34.4 114.7 0.8 242 434 A F < - 0 0 18 -5,-1.9 -1,-0.2 -6,-0.3 3,-0.1 -0.571 29.1-148.0 -75.1 138.6 32.4 114.8 -2.4 243 435 A K S S+ 0 0 143 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.894 88.0 36.2 -69.3 -41.5 33.4 112.5 -5.3 244 436 A N S > S- 0 0 70 1,-0.1 3,-2.1 -3,-0.0 -1,-0.2 -0.960 71.6-142.3-121.4 129.9 32.2 115.0 -7.9 245 437 A I G > S+ 0 0 4 -96,-0.5 3,-2.5 -2,-0.4 4,-0.5 0.732 94.6 79.9 -59.9 -24.8 32.5 118.8 -7.7 246 438 A K G > S+ 0 0 114 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.764 84.8 64.4 -48.4 -27.8 29.1 119.1 -9.4 247 439 A R G < S+ 0 0 26 -3,-2.1 10,-0.8 1,-0.2 -1,-0.3 0.648 101.5 48.4 -71.0 -18.6 27.7 118.3 -5.9 248 440 A A G < S+ 0 0 5 -3,-2.5 -1,-0.2 -4,-0.2 -2,-0.2 0.448 99.1 92.5 -98.0 -8.8 29.2 121.6 -4.6 249 441 A A S < S- 0 0 19 -3,-0.7 2,-0.3 -4,-0.5 8,-0.2 -0.372 91.7 -83.5 -89.2 163.3 27.9 123.8 -7.3 250 442 A R S S+ 0 0 139 -96,-0.3 2,-0.3 -2,-0.1 -1,-0.1 -0.499 73.7 154.7 -51.1 125.2 24.8 126.0 -8.0 251 443 A S - 0 0 56 -2,-0.3 -4,-0.0 3,-0.2 -5,-0.0 -0.995 61.3-148.6-161.8 152.0 22.5 123.3 -9.2 252 444 A E S S+ 0 0 189 -2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.393 104.6 57.0 -95.9 -6.0 19.0 122.1 -9.7 253 445 A S S S+ 0 0 51 1,-0.2 7,-2.2 -7,-0.1 8,-0.4 0.620 108.4 37.0-100.2 -21.1 20.3 118.5 -9.3 254 446 A Y E -I 259 0C 45 5,-0.3 2,-0.4 -5,-0.2 -3,-0.2 -0.997 54.6-165.3-135.6 140.8 21.9 118.7 -5.8 255 447 A Y E > S-I 258 0C 68 3,-2.3 3,-2.0 -2,-0.4 -5,-0.1 -0.981 88.1 -22.8-121.7 117.6 21.1 120.5 -2.6 256 448 A N T 3 S- 0 0 15 -2,-0.4 -8,-0.1 1,-0.3 -1,-0.1 0.898 129.8 -51.0 47.5 43.0 24.0 120.6 -0.1 257 449 A G T 3 S+ 0 0 1 -10,-0.8 2,-0.5 1,-0.2 -1,-0.3 0.486 113.5 120.0 78.5 3.6 25.4 117.5 -2.0 258 450 A I E < S-I 255 0C 9 -3,-2.0 -3,-2.3 -11,-0.1 -1,-0.2 -0.893 70.3-111.3-106.8 125.3 22.1 115.5 -1.8 259 451 A S E -I 254 0C 0 -2,-0.5 -5,-0.3 -245,-0.5 -6,-0.1 -0.222 18.4-160.1 -53.0 138.4 20.4 114.5 -5.1 260 452 A T S S+ 0 0 57 -7,-2.2 2,-1.1 1,-0.1 -1,-0.1 0.313 74.1 88.9 -98.8 1.7 17.2 116.3 -5.7 261 453 A N 0 0 92 -8,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.718 360.0 360.0 -99.2 79.5 16.0 113.6 -8.2 262 454 A L 0 0 81 -2,-1.1 -1,-0.1 -221,-0.0 -220,-0.0 -0.155 360.0 360.0-110.9 360.0 14.4 111.4 -5.6