==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 01-APR-12 3VQW . COMPND 2 MOLECULE: PYRROLYSINE--TRNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA MAZEI; . AUTHOR T.YANAGISAWA,T.SUMIDA,R.ISHII,S.YOKOYAMA,RIKEN STRUCTURAL . 258 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 18.2 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 . 2 0.8 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 . 1 0.4 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 . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 0 0 1 1 0 0 1 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 . 0 3 1 0 1 0 2 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 1 188 A P 0 0 188 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-105.4 -16.1 25.3 57.4 2 189 A A - 0 0 82 1,-0.1 2,-0.1 23,-0.0 24,-0.1 -0.759 360.0-108.9 -96.0 143.1 -12.6 24.1 56.7 3 190 A L - 0 0 65 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.438 33.2-124.6 -69.0 144.1 -9.8 26.7 56.6 4 191 A T > - 0 0 70 -2,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.360 25.1-106.8 -82.1 170.9 -8.4 27.3 53.2 5 192 A K H > S+ 0 0 144 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.938 121.3 51.9 -64.0 -40.4 -4.7 26.8 52.6 6 193 A S H > S+ 0 0 89 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.852 108.3 48.7 -63.1 -39.7 -4.3 30.6 52.3 7 194 A Q H > S+ 0 0 53 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.859 111.1 52.5 -69.9 -32.7 -6.1 31.3 55.6 8 195 A T H X S+ 0 0 40 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.965 107.7 49.4 -65.4 -51.6 -3.9 28.7 57.2 9 196 A D H X S+ 0 0 68 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.845 112.9 50.2 -53.3 -38.9 -0.7 30.3 55.9 10 197 A R H X S+ 0 0 63 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.930 109.7 47.7 -66.9 -48.9 -2.0 33.6 57.3 11 198 A L H < S+ 0 0 17 -4,-2.7 4,-0.2 1,-0.2 -2,-0.2 0.808 108.8 56.2 -64.4 -29.0 -2.8 32.2 60.7 12 199 A E H >< S+ 0 0 84 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.889 101.0 57.3 -69.8 -39.6 0.7 30.6 60.8 13 200 A V H 3< S+ 0 0 40 -4,-1.5 244,-0.3 1,-0.3 -1,-0.2 0.794 112.0 41.8 -58.9 -29.3 2.3 34.0 60.2 14 201 A L T 3< S+ 0 0 1 -4,-0.9 2,-0.5 -3,-0.2 -1,-0.3 0.423 97.3 102.1 -96.9 -2.1 0.5 35.2 63.4 15 202 A L < - 0 0 67 -3,-1.1 -3,-0.0 -4,-0.2 18,-0.0 -0.732 59.6-154.1 -91.7 122.5 1.3 32.0 65.2 16 203 A N > - 0 0 31 -2,-0.5 3,-1.9 1,-0.1 -2,-0.1 -0.618 27.3-113.0 -92.1 154.1 4.1 32.0 67.7 17 204 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 222,-0.1 0.890 115.6 51.8 -48.6 -47.1 6.1 28.9 68.7 18 205 A K T 3 S+ 0 0 200 2,-0.0 221,-0.0 -3,-0.0 -3,-0.0 0.475 86.4 110.6 -73.2 -4.7 4.8 28.9 72.2 19 206 A D < 0 0 35 -3,-1.9 -4,-0.0 1,-0.1 0, 0.0 -0.234 360.0 360.0 -68.6 162.9 1.1 29.1 71.2 20 207 A E 0 0 232 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.033 360.0 360.0-147.8 360.0 -1.3 26.1 71.7 21 ! 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 22 212 A S 0 0 189 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.4 -10.5 22.9 65.8 23 213 A G + 0 0 75 1,-0.5 0, 0.0 0, 0.0 0, 0.0 -0.208 360.0 68.0 167.0 -71.8 -13.7 24.9 66.3 24 214 A K S S- 0 0 124 1,-0.1 -1,-0.5 2,-0.1 2,-0.0 -0.293 76.5-100.6 -80.3 165.1 -14.1 28.6 65.4 25 215 A P > - 0 0 80 0, 0.0 4,-1.9 0, 0.0 3,-0.2 -0.175 38.3 -96.9 -76.0 176.2 -14.0 30.2 61.9 26 216 A F H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.905 117.1 59.5 -58.8 -47.8 -11.1 32.0 60.3 27 217 A R H > S+ 0 0 183 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.849 111.2 39.2 -52.3 -44.1 -12.2 35.6 61.3 28 218 A E H > S+ 0 0 78 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.927 114.3 51.6 -76.6 -45.6 -12.1 34.9 65.0 29 219 A L H X S+ 0 0 56 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.870 113.3 47.9 -57.2 -37.1 -9.0 32.7 65.1 30 220 A E H X S+ 0 0 31 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.953 111.6 49.4 -67.5 -49.4 -7.3 35.5 63.2 31 221 A S H X S+ 0 0 61 -4,-2.0 4,-1.2 -5,-0.3 -2,-0.2 0.787 109.0 53.0 -60.0 -29.6 -8.6 38.1 65.6 32 222 A E H X S+ 0 0 73 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.947 112.8 42.8 -71.2 -49.5 -7.5 36.1 68.6 33 223 A L H X S+ 0 0 13 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.878 108.9 59.3 -62.7 -41.7 -3.9 35.8 67.3 34 224 A L H X S+ 0 0 26 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.866 108.1 44.8 -58.2 -36.1 -3.8 39.5 66.2 35 225 A S H X S+ 0 0 60 -4,-1.2 4,-2.1 -3,-0.2 -1,-0.2 0.867 111.5 53.7 -78.0 -32.0 -4.5 40.6 69.7 36 226 A R H X S+ 0 0 100 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.965 111.2 44.8 -62.9 -52.0 -2.0 38.2 71.1 37 227 A R H X S+ 0 0 6 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.898 111.5 52.7 -58.9 -42.3 0.7 39.5 68.8 38 228 A K H X S+ 0 0 93 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.885 109.5 50.6 -61.1 -37.2 -0.2 43.1 69.5 39 229 A K H X S+ 0 0 109 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.901 108.2 51.5 -68.6 -40.3 0.1 42.3 73.2 40 230 A D H X S+ 0 0 53 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.947 110.6 47.5 -61.4 -50.0 3.6 40.7 72.8 41 231 A L H X S+ 0 0 45 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.874 111.2 53.0 -56.3 -39.8 4.9 43.8 70.9 42 232 A Q H X S+ 0 0 105 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.879 110.4 46.6 -64.9 -38.8 3.4 46.0 73.7 43 233 A Q H X S+ 0 0 82 -4,-2.1 4,-2.5 2,-0.2 5,-0.5 0.939 110.9 51.5 -68.5 -47.9 5.2 44.0 76.3 44 234 A I H <>S+ 0 0 16 -4,-2.9 5,-1.4 1,-0.2 -2,-0.2 0.927 114.2 45.5 -52.2 -47.7 8.5 44.1 74.4 45 235 A Y H <5S+ 0 0 177 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.777 112.0 51.0 -69.2 -29.9 8.1 47.9 74.1 46 236 A A H <5S+ 0 0 70 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.858 130.6 4.3 -77.3 -37.2 7.1 48.4 77.8 47 237 A E T <5S+ 0 0 112 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.1 0.798 130.4 24.9-114.5 -68.7 10.0 46.5 79.3 48 238 A E T 5 + 0 0 92 -5,-0.5 -3,-0.2 1,-0.1 -4,-0.1 0.999 55.2 178.8 -68.3 -70.7 12.8 45.1 77.1 49 239 A R < + 0 0 146 -5,-1.4 2,-0.4 1,-0.2 -4,-0.1 0.480 40.0 127.5 77.6 5.8 13.0 47.1 73.9 50 240 A E - 0 0 75 -6,-0.2 2,-0.3 4,-0.0 -1,-0.2 -0.749 58.5-126.2-100.3 139.2 15.9 45.1 72.6 51 241 A N > - 0 0 60 -2,-0.4 4,-3.2 1,-0.1 5,-0.2 -0.600 16.6-130.7 -82.0 139.4 16.2 43.4 69.2 52 242 A Y H > S+ 0 0 61 -2,-0.3 4,-3.3 2,-0.2 5,-0.3 0.959 105.9 47.0 -53.5 -59.7 17.0 39.6 69.2 53 243 A L H > S+ 0 0 14 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.933 117.3 43.9 -47.0 -55.6 19.8 39.8 66.7 54 244 A G H > S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 113.2 51.3 -58.1 -43.6 21.4 42.8 68.4 55 245 A K H X S+ 0 0 74 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.945 112.8 45.6 -59.4 -49.2 20.9 41.2 71.8 56 246 A L H >X S+ 0 0 5 -4,-3.3 4,-3.8 1,-0.2 3,-0.5 0.974 109.5 53.8 -60.2 -54.5 22.6 38.0 70.7 57 247 A E H 3X S+ 0 0 44 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.874 111.2 48.4 -47.4 -37.8 25.4 39.8 69.0 58 248 A R H 3X S+ 0 0 127 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.3 0.860 113.0 45.4 -74.0 -34.4 26.0 41.5 72.3 59 249 A E H S+ 0 0 0 -4,-1.9 5,-3.3 2,-0.2 -2,-0.2 0.901 117.3 54.1 -71.7 -41.1 34.5 36.0 73.5 65 255 A V H ><5S+ 0 0 63 -4,-2.3 3,-1.4 -5,-0.2 -2,-0.2 0.938 110.8 47.7 -58.6 -42.9 35.8 39.3 74.9 66 256 A D H 3<5S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.867 108.7 54.2 -63.9 -36.4 35.7 37.8 78.4 67 257 A R T 3<5S- 0 0 96 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.179 130.3 -94.4 -82.8 14.9 37.4 34.6 77.2 68 258 A G T < 5S+ 0 0 45 -3,-1.4 2,-0.3 1,-0.2 63,-0.3 0.578 76.7 140.5 87.4 9.4 40.3 36.8 75.8 69 259 A F < - 0 0 10 -5,-3.3 2,-0.4 -6,-0.1 63,-0.3 -0.661 49.8-124.3 -89.7 148.0 39.3 37.3 72.2 70 260 A L E -a 132 0A 83 61,-2.7 63,-2.6 -2,-0.3 2,-0.6 -0.738 25.4-123.1 -88.6 132.6 39.9 40.7 70.4 71 261 A E E -a 133 0A 99 -2,-0.4 2,-0.3 61,-0.2 63,-0.2 -0.649 28.8-165.6 -82.3 116.2 36.8 42.2 68.8 72 262 A I E -a 134 0A 5 61,-3.3 63,-0.5 -2,-0.6 2,-0.4 -0.795 17.0-174.8-103.7 142.7 37.1 43.0 65.1 73 263 A K + 0 0 114 -2,-0.3 3,-0.1 61,-0.1 61,-0.1 -0.850 23.3 169.5-130.6 92.8 34.9 45.2 63.0 74 264 A S - 0 0 13 -2,-0.4 41,-0.0 1,-0.2 -2,-0.0 -0.492 41.0 -69.9-100.5 177.3 36.1 44.8 59.4 75 265 A P - 0 0 80 0, 0.0 -1,-0.2 0, 0.0 39,-0.1 -0.264 25.9-158.9 -67.0 152.3 34.6 46.0 56.1 76 266 A I S S+ 0 0 67 1,-0.2 32,-2.4 -3,-0.1 2,-1.0 0.655 86.1 66.3 -98.8 -25.9 31.5 44.3 54.7 77 267 A L E S-G 107 0B 86 30,-0.2 30,-0.2 28,-0.1 -1,-0.2 -0.829 79.5-178.6 -98.6 98.1 32.2 45.6 51.2 78 268 A I E -G 106 0B 1 28,-1.3 28,-1.5 -2,-1.0 2,-0.1 -0.573 34.6 -90.1-102.3 162.5 35.3 43.7 50.3 79 269 A P E > -G 105 0B 31 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.471 33.0-129.6 -65.7 137.1 37.6 43.7 47.2 80 270 A L T >> S+ 0 0 31 24,-2.6 3,-1.7 1,-0.3 4,-1.0 0.797 103.7 74.0 -57.4 -28.8 36.5 41.0 44.8 81 271 A E H 3> S+ 0 0 89 23,-0.4 4,-2.7 1,-0.3 3,-0.5 0.861 84.2 65.0 -52.1 -41.8 40.1 39.8 44.8 82 272 A Y H <4 S+ 0 0 46 -3,-1.3 4,-0.3 1,-0.3 -1,-0.3 0.750 96.8 56.4 -56.2 -26.5 39.6 38.3 48.2 83 273 A I H X4>S+ 0 0 11 -3,-1.7 5,-1.0 -4,-0.4 3,-0.5 0.916 110.3 43.0 -74.0 -40.3 37.1 35.9 46.8 84 274 A E H >X5S+ 0 0 127 -4,-1.0 3,-2.6 -3,-0.5 4,-0.8 0.981 113.9 51.6 -64.9 -54.3 39.6 34.5 44.3 85 275 A R T 3<5S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.525 98.9 66.7 -59.9 -8.1 42.3 34.4 46.9 86 276 A X T <45S- 0 0 26 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.414 121.3-105.5 -93.5 2.1 40.0 32.5 49.2 87 277 A G T <45S+ 0 0 53 -3,-2.6 2,-0.6 1,-0.2 -2,-0.2 0.914 73.5 142.3 76.2 46.0 40.2 29.6 46.7 88 278 A I << + 0 0 18 -5,-1.0 2,-0.2 -4,-0.8 -1,-0.2 -0.861 16.3 153.5-124.9 95.2 36.7 30.1 45.3 89 279 A D > - 0 0 98 -2,-0.6 3,-2.8 -3,-0.1 6,-0.3 -0.626 69.5 -78.9-112.1 174.4 36.6 29.4 41.6 90 280 A N T 3 S+ 0 0 150 1,-0.3 6,-0.1 -2,-0.2 -2,-0.0 0.483 122.9 82.4 -52.5 2.2 33.8 28.3 39.3 91 281 A D T 3 S+ 0 0 154 4,-0.0 -1,-0.3 3,-0.0 2,-0.1 0.857 88.3 52.7 -74.9 -40.3 34.8 25.0 40.9 92 282 A T S X S- 0 0 54 -3,-2.8 3,-0.9 1,-0.1 4,-0.2 -0.452 87.4-114.6 -97.0 168.5 32.8 25.6 44.1 93 283 A E G >> S+ 0 0 145 1,-0.2 3,-1.0 -2,-0.1 4,-0.9 0.855 110.1 67.8 -69.1 -37.4 29.1 26.5 44.8 94 284 A L G 34 S+ 0 0 22 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.612 75.9 95.1 -59.4 -11.0 30.0 29.9 46.2 95 285 A S G <4 S+ 0 0 42 -3,-0.9 3,-0.3 -6,-0.3 -1,-0.2 0.893 101.7 15.9 -48.5 -53.7 31.1 30.9 42.7 96 286 A K T <4 S+ 0 0 108 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.642 104.5 88.9 -97.8 -16.8 27.8 32.6 41.7 97 287 A Q S < S+ 0 0 14 -4,-0.9 44,-2.4 43,-0.1 2,-0.4 0.450 72.0 109.2 -58.4 4.2 26.4 32.9 45.2 98 288 A I - 0 0 4 -3,-0.3 2,-1.1 -4,-0.2 42,-0.1 -0.741 66.0-143.3 -99.0 131.0 28.2 36.2 45.2 99 289 A F - 0 0 47 -2,-0.4 8,-1.6 8,-0.3 2,-0.2 -0.744 25.3-152.4 -86.6 98.2 26.6 39.7 45.1 100 290 A R E -H 106 0B 129 -2,-1.1 2,-0.5 6,-0.2 6,-0.3 -0.504 8.3-162.9 -75.9 136.5 29.0 41.7 42.9 101 291 A V E > -H 105 0B 43 4,-1.7 4,-1.6 -2,-0.2 3,-0.2 -0.990 61.5 -35.5-120.6 123.4 29.2 45.5 43.6 102 292 A D T 4 S- 0 0 124 -2,-0.5 -1,-0.0 1,-0.2 0, 0.0 -0.076 96.1 -65.7 54.5-162.4 30.8 47.5 40.8 103 293 A K T 4 S+ 0 0 162 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.696 132.3 38.7 -95.4 -17.5 33.6 45.7 39.0 104 294 A N T 4 S+ 0 0 99 -3,-0.2 -24,-2.6 -24,-0.1 -23,-0.4 0.447 110.3 56.7-111.7 -1.9 36.1 45.6 41.8 105 295 A F E < +GH 79 101B 77 -4,-1.6 -4,-1.7 -26,-0.3 2,-0.3 -0.678 47.2 170.8-127.4 179.4 34.0 44.8 44.8 106 296 A C E -GH 78 100B 0 -28,-1.5 -28,-1.3 -6,-0.3 2,-0.7 -0.970 43.2 -81.4-169.0 175.0 31.5 42.5 46.3 107 297 A L E -G 77 0B 39 -8,-1.6 -8,-0.3 -2,-0.3 32,-0.2 -0.838 54.2-107.3 -95.8 114.8 29.6 41.7 49.5 108 298 A R - 0 0 4 -32,-2.4 31,-1.8 -2,-0.7 3,-0.1 -0.096 28.4-166.0 -40.3 111.9 31.7 39.6 51.9 109 299 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.551 73.8 2.8 -81.9 -3.1 30.1 36.1 51.7 110 300 A X S S- 0 0 23 27,-0.1 29,-0.1 1,-0.1 46,-0.0 -0.963 70.9-112.5-164.4 175.5 32.1 35.3 54.8 111 301 A L S >> S+ 0 0 2 -2,-0.3 4,-1.5 1,-0.1 3,-0.5 0.668 85.7 92.4 -94.5 -19.0 34.5 36.6 57.4 112 302 A A H >> S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 3,-0.7 0.872 75.8 60.3 -43.3 -59.4 37.7 34.7 56.6 113 303 A P H 3> S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.883 114.2 34.9 -40.6 -53.8 39.4 37.1 54.2 114 304 A N H <> S+ 0 0 17 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.710 114.6 55.6 -79.7 -19.5 39.7 40.0 56.8 115 305 A L H X S+ 0 0 92 -4,-2.5 4,-0.5 1,-0.2 3,-0.5 0.981 118.2 41.8 -57.8 -54.7 49.0 38.4 59.8 121 311 A K H >< S+ 0 0 130 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.899 113.2 50.8 -59.6 -46.0 49.1 42.0 60.9 122 312 A L H >X S+ 0 0 30 -4,-2.8 3,-2.2 1,-0.2 4,-1.9 0.720 93.2 73.8 -66.7 -22.7 48.5 41.4 64.6 123 313 A D H << S+ 0 0 64 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.820 88.7 63.7 -60.3 -29.2 51.2 38.8 64.9 124 314 A R T << S+ 0 0 233 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.367 119.7 20.2 -75.5 4.1 53.7 41.6 64.6 125 315 A A T <4 S+ 0 0 83 -3,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.491 105.6 79.8-149.1 -8.6 52.5 43.1 67.8 126 316 A L < - 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0 0 12 -5,-0.6 -1,-0.2 -6,-0.3 3,-0.1 -0.430 31.5-140.5 -67.1 140.0 11.0 29.4 64.9 241 435 A K S S+ 0 0 168 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.882 86.3 37.0 -70.3 -36.4 9.8 27.2 62.0 242 436 A N S > S- 0 0 43 1,-0.1 3,-2.2 -95,-0.0 4,-0.2 -0.962 76.2-130.0-126.5 138.5 11.4 29.4 59.4 243 437 A I G > S+ 0 0 2 -97,-1.2 3,-1.3 -2,-0.4 4,-0.5 0.620 99.3 79.2 -53.0 -18.7 14.8 31.3 59.4 244 438 A K G > S+ 0 0 108 -99,-0.3 3,-0.5 1,-0.2 -1,-0.3 0.767 81.1 65.8 -63.8 -27.3 12.9 34.4 58.3 245 439 A R G < S+ 0 0 28 -3,-2.2 10,-0.9 1,-0.2 -1,-0.2 0.588 106.2 40.0 -73.0 -11.2 11.7 35.1 61.8 246 440 A A G < S+ 0 0 7 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.409 98.2 103.1-115.1 -2.1 15.2 35.8 63.1 247 441 A A S < S- 0 0 13 -3,-0.5 2,-0.3 -4,-0.5 8,-0.2 -0.306 88.0 -91.6 -81.9 162.8 16.4 37.8 60.1 248 442 A R S S+ 0 0 133 -97,-0.3 2,-0.3 -2,-0.1 -1,-0.1 -0.578 74.0 148.1 -65.2 132.8 16.8 41.5 59.6 249 443 A S - 0 0 55 -2,-0.3 -4,-0.0 3,-0.2 -5,-0.0 -0.996 65.8-139.1-167.7 163.8 13.4 42.3 58.2 250 444 A G S S+ 0 0 67 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.331 105.1 62.0-107.1 1.2 10.5 44.6 57.8 251 445 A S S S+ 0 0 53 1,-0.2 7,-1.7 -7,-0.1 8,-0.4 0.579 106.4 27.3-102.4 -19.7 8.2 41.6 58.3 252 446 A Y E -I 257 0C 44 5,-0.2 2,-0.5 -5,-0.2 5,-0.2 -0.997 52.7-160.6-147.6 146.3 9.0 40.3 61.8 253 447 A Y E > S-I 256 0C 75 3,-2.7 3,-2.7 -2,-0.3 -7,-0.1 -0.987 87.3 -21.3-125.8 118.2 10.3 41.8 65.1 254 448 A N T 3 S- 0 0 12 -2,-0.5 -8,-0.1 1,-0.3 -1,-0.1 0.904 129.4 -52.4 47.9 42.8 11.8 39.2 67.5 255 449 A G T 3 S+ 0 0 0 -10,-0.9 2,-0.4 1,-0.2 -1,-0.3 0.403 113.4 120.6 77.8 -5.3 9.8 36.6 65.7 256 450 A I E < -I 253 0C 7 -3,-2.7 -3,-2.7 -11,-0.1 -1,-0.2 -0.771 68.7-114.7 -93.2 135.3 6.5 38.5 66.0 257 451 A S E -I 252 0C 0 -2,-0.4 -5,-0.2 -244,-0.3 -6,-0.1 -0.443 14.7-154.6 -69.3 143.5 4.8 39.4 62.7 258 452 A T S S+ 0 0 59 -7,-1.7 2,-1.0 1,-0.1 -1,-0.1 0.287 74.6 92.1 -99.3 6.0 4.6 43.2 62.0 259 453 A N 0 0 91 -8,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.705 360.0 360.0-103.6 78.7 1.6 42.7 59.7 260 454 A L 0 0 82 -2,-1.0 -1,-0.1 -223,-0.0 -222,-0.0 -0.133 360.0 360.0-105.3 360.0 -1.2 43.2 62.3