==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAY-11 2YL6 . COMPND 2 MOLECULE: BETA-N-ACETYLHEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR B.PLUVINAGE,M.A.HIGGINS,D.W.ABBOTT,C.ROBB,A.B.DALIA,L.DENG, . 434 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 3.9 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 31 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 1 0 3 0 0 1 2 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 1 1 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 PARALLEL BRIDGES PER LADDER . 4 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 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 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 1 181 A N > 0 0 155 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -47.8 29.2 47.2 1.8 2 182 A E T 4 + 0 0 130 2,-0.2 4,-0.4 1,-0.2 362,-0.0 0.824 360.0 47.8 -64.9 -34.6 29.2 43.5 2.9 3 183 A K T >4 S+ 0 0 77 2,-0.2 3,-1.3 1,-0.2 -1,-0.2 0.950 113.3 44.8 -72.3 -51.2 29.0 44.4 6.6 4 184 A L T 34 S+ 0 0 43 1,-0.3 -2,-0.2 359,-0.1 -1,-0.2 0.802 105.6 63.7 -63.1 -29.0 26.1 46.9 6.4 5 185 A A T 3< S+ 0 0 84 -4,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.661 83.6 101.9 -70.3 -17.2 24.2 44.5 4.0 6 186 A K S < S- 0 0 50 -3,-1.3 2,-0.3 -4,-0.4 325,-0.3 -0.281 81.4-109.5 -64.0 152.3 24.0 41.9 6.8 7 187 A K E -a 331 0A 49 323,-2.5 325,-2.0 30,-0.1 2,-0.5 -0.651 27.7-163.7 -75.5 136.6 20.7 41.5 8.8 8 188 A K E -a 332 0A 2 -2,-0.3 29,-3.0 323,-0.2 30,-1.7 -0.985 18.8-175.2-123.1 120.7 20.9 42.7 12.4 9 189 A I E -ab 333 38A 2 323,-2.6 325,-2.2 -2,-0.5 2,-0.5 -0.899 25.8-155.7-127.6 138.7 18.0 41.3 14.3 10 190 A V E -ab 334 39A 0 28,-1.8 30,-3.0 -2,-0.4 2,-0.4 -0.968 20.7-151.9-108.8 130.7 16.6 41.6 17.8 11 191 A S E -ab 335 40A 0 323,-2.8 325,-2.8 -2,-0.5 2,-0.4 -0.881 8.8-167.3-107.0 134.5 14.5 38.6 18.9 12 192 A I E -ab 336 41A 2 28,-2.9 30,-2.2 -2,-0.4 2,-1.7 -0.984 19.9-138.2-124.7 124.9 11.7 38.9 21.5 13 193 A D E > + b 0 42A 2 323,-1.5 4,-0.8 -2,-0.4 30,-0.1 -0.589 40.1 153.7 -80.6 79.4 10.0 35.9 23.2 14 194 A A T 4 + 0 0 5 -2,-1.7 5,-0.2 28,-1.2 35,-0.2 -0.001 61.9 73.8 -95.3 25.6 6.4 37.0 23.0 15 195 A G T 4 S+ 0 0 0 29,-0.1 -1,-0.1 33,-0.1 30,-0.1 0.809 103.4 32.6 -95.8 -51.7 5.3 33.4 23.1 16 196 A R T 4 S+ 0 0 18 1,-0.1 2,-0.3 30,-0.1 -2,-0.2 0.864 130.2 32.8 -69.8 -35.4 6.0 32.7 26.7 17 197 A K S < S- 0 0 7 -4,-0.8 2,-0.3 30,-0.1 -1,-0.1 -0.931 84.9-110.8-131.2 142.4 5.1 36.2 27.8 18 198 A Y - 0 0 29 -2,-0.3 2,-0.4 68,-0.2 -3,-0.1 -0.543 28.8-175.5 -72.5 133.6 2.7 38.9 26.6 19 199 A F - 0 0 7 -2,-0.3 -5,-0.0 -5,-0.2 -7,-0.0 -0.998 20.5-132.6-124.8 134.2 4.0 42.0 24.9 20 200 A S > - 0 0 19 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.362 23.2-110.3 -80.5 161.9 1.6 44.8 24.0 21 201 A P H > S+ 0 0 14 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.920 121.7 52.2 -54.6 -42.8 1.5 46.6 20.6 22 202 A E H > S+ 0 0 141 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.912 109.9 47.3 -57.2 -49.0 2.9 49.7 22.4 23 203 A Q H > S+ 0 0 56 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.898 113.6 48.2 -59.8 -42.7 5.8 47.8 23.9 24 204 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.894 108.9 53.0 -70.0 -37.1 6.6 46.2 20.6 25 205 A K H X S+ 0 0 49 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.895 107.7 52.0 -62.4 -40.1 6.5 49.6 18.7 26 206 A E H X S+ 0 0 78 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.873 109.2 49.8 -62.4 -39.7 8.9 51.0 21.3 27 207 A I H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.933 110.3 50.6 -63.6 -44.8 11.2 48.0 20.6 28 208 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.894 107.9 53.4 -57.9 -42.9 10.9 48.7 16.8 29 209 A D H X S+ 0 0 55 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.928 112.0 44.3 -59.2 -47.9 11.8 52.4 17.4 30 210 A K H X S+ 0 0 70 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.897 111.1 54.5 -62.5 -41.9 15.0 51.4 19.3 31 211 A A H X>S+ 0 0 0 -4,-2.8 5,-2.8 2,-0.2 4,-0.6 0.953 111.5 44.6 -58.0 -50.3 15.8 48.8 16.7 32 212 A K H ><5S+ 0 0 83 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.958 114.1 50.2 -56.4 -52.6 15.6 51.4 13.9 33 213 A H H 3<5S+ 0 0 64 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.863 110.9 47.6 -53.2 -45.2 17.6 53.9 16.0 34 214 A Y H 3<5S- 0 0 14 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.466 122.5-101.5 -84.0 -1.4 20.4 51.5 16.8 35 215 A G T <<5 + 0 0 3 -3,-1.4 331,-1.5 -4,-0.6 -3,-0.2 0.667 68.1 150.2 94.4 19.7 20.8 50.4 13.1 36 216 A Y < - 0 0 8 -5,-2.8 -1,-0.2 -6,-0.2 -27,-0.2 -0.336 35.8-156.3 -76.8 162.8 18.9 47.0 13.2 37 217 A T + 0 0 38 -29,-3.0 70,-2.7 1,-0.3 2,-0.3 0.614 66.7 25.1-110.2 -23.8 17.1 45.6 10.1 38 218 A D E -bc 9 107A 10 -30,-1.7 -28,-1.8 68,-0.3 2,-0.5 -0.986 53.0-140.8-148.0 151.3 14.5 43.2 11.7 39 219 A L E -bc 10 108A 0 68,-2.8 70,-3.0 -2,-0.3 2,-0.8 -0.982 18.5-155.5-107.7 123.5 12.4 42.3 14.7 40 220 A H E -bc 11 109A 0 -30,-3.0 -28,-2.9 -2,-0.5 2,-0.7 -0.887 17.0-170.3 -99.6 104.5 12.2 38.5 15.3 41 221 A L E -bc 12 110A 0 68,-2.0 70,-1.5 -2,-0.8 2,-0.5 -0.864 12.3-155.7-105.4 104.4 9.0 38.1 17.2 42 222 A L E +bc 13 111A 0 -30,-2.2 -28,-1.2 -2,-0.7 3,-0.2 -0.671 24.1 162.7 -71.5 124.8 8.3 34.7 18.6 43 223 A V E S+ 0 0 1 68,-2.6 6,-2.8 -2,-0.5 2,-0.6 0.581 70.9 48.2-112.8 -24.3 4.5 34.4 19.0 44 224 A G E +Dc 48 112A 2 67,-2.2 69,-2.5 4,-0.2 -1,-0.3 -0.954 69.9 126.5-116.1 104.5 4.3 30.6 19.4 45 225 A N S S- 0 0 3 2,-3.1 2,-2.0 -2,-0.6 73,-0.2 -0.608 96.7 -44.6-162.9 93.8 6.9 29.5 22.0 46 226 A D S S+ 0 0 4 71,-2.5 74,-2.9 -2,-0.2 75,-0.3 -0.588 141.8 49.3 66.7 -73.7 5.5 27.4 24.8 47 227 A G S S- 0 0 1 -2,-2.0 -2,-3.1 72,-0.2 2,-0.4 -0.418 83.4-139.8 -77.6 162.0 2.6 29.9 24.9 48 228 A L B +D 44 0A 1 25,-0.3 -4,-0.2 -4,-0.2 29,-0.2 -0.964 25.5 170.9-127.2 113.6 0.8 30.9 21.7 49 229 A R + 0 0 3 -6,-2.8 40,-2.2 -2,-0.4 2,-0.3 -0.279 46.6 81.1-127.6 43.4 -0.0 34.7 21.7 50 230 A F E -k 89 0B 1 38,-0.2 2,-0.5 -7,-0.1 40,-0.2 -0.906 52.6-168.5-151.1 121.2 -1.3 35.6 18.2 51 231 A M E -k 90 0B 9 38,-2.6 40,-0.7 -2,-0.3 2,-0.1 -0.943 11.1-146.2-118.0 120.8 -4.9 35.0 17.0 52 232 A L - 0 0 6 -2,-0.5 3,-0.2 38,-0.2 112,-0.0 -0.436 26.8-117.6 -71.0 155.2 -6.0 35.3 13.5 53 233 A D S S+ 0 0 94 1,-0.3 2,-0.6 -2,-0.1 -1,-0.1 0.887 112.1 40.7 -59.4 -42.6 -9.5 36.6 12.7 54 234 A D + 0 0 73 1,-0.1 -1,-0.3 109,-0.1 -2,-0.1 -0.941 64.6 164.5-109.0 109.7 -10.3 33.2 11.1 55 235 A M + 0 0 0 -2,-0.6 -1,-0.1 -3,-0.2 9,-0.1 0.161 26.4 137.1-106.1 15.5 -8.7 30.4 13.2 56 236 A S - 0 0 26 13,-0.1 2,-0.5 7,-0.1 9,-0.2 -0.384 37.5-159.6 -64.4 136.6 -10.7 27.5 11.6 57 237 A I E -L 64 0C 2 7,-2.1 7,-3.3 -2,-0.1 2,-0.7 -0.982 10.5-154.1-126.8 126.7 -8.5 24.5 10.9 58 238 A T E +L 63 0C 100 -2,-0.5 2,-0.3 5,-0.3 5,-0.2 -0.897 44.0 116.5-102.0 115.2 -9.2 21.8 8.4 59 239 A A E > +L 62 0C 12 3,-1.6 3,-1.3 -2,-0.7 97,-0.1 -0.948 53.4 38.8-163.1 162.1 -7.4 18.5 9.3 60 240 A N T 3 S- 0 0 39 -2,-0.3 3,-0.1 1,-0.3 92,-0.1 0.817 128.3 -58.9 60.7 34.8 -8.3 14.9 10.3 61 241 A G T 3 S+ 0 0 90 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.661 123.8 63.1 71.2 19.3 -11.3 14.7 7.8 62 242 A K E < S-L 59 0C 109 -3,-1.3 -3,-1.6 -5,-0.0 2,-0.4 -0.885 79.4-108.5-152.0-179.8 -13.0 17.7 9.5 63 243 A T E -L 58 0C 80 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.3 -0.995 21.0-142.9-120.8 132.0 -12.9 21.4 10.2 64 244 A Y E -L 57 0C 22 -7,-3.3 -7,-2.1 -2,-0.4 5,-0.0 -0.873 36.6-110.4 -89.7 122.3 -12.3 22.6 13.8 65 245 A A > - 0 0 47 -2,-0.6 4,-2.6 -9,-0.2 3,-0.2 -0.221 16.8-124.4 -59.9 142.6 -14.4 25.8 14.1 66 246 A S H > S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.903 110.4 48.4 -52.0 -51.5 -12.6 29.1 14.4 67 247 A D H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.844 112.6 48.7 -65.5 -32.4 -14.3 30.1 17.7 68 248 A D H > S+ 0 0 98 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 111.9 48.9 -70.0 -42.0 -13.5 26.7 19.2 69 249 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.919 111.7 50.4 -62.6 -43.6 -9.9 26.9 18.1 70 250 A K H X S+ 0 0 53 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.924 112.7 45.3 -58.7 -46.3 -9.6 30.4 19.5 71 251 A R H X S+ 0 0 196 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.860 113.3 50.9 -69.4 -34.4 -11.0 29.3 22.9 72 252 A A H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.892 112.8 45.3 -66.3 -42.8 -8.8 26.3 22.9 73 253 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -25,-0.3 0.937 113.2 49.5 -70.6 -43.1 -5.7 28.4 22.2 74 254 A E H X S+ 0 0 75 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.927 116.2 42.6 -58.9 -46.3 -6.6 31.0 24.7 75 255 A K H X S+ 0 0 100 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.916 114.5 52.1 -62.7 -43.6 -7.2 28.4 27.4 76 256 A G H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.876 110.0 46.8 -64.7 -41.2 -4.1 26.5 26.3 77 257 A T H >X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 3,-0.6 0.928 111.4 52.2 -65.3 -47.0 -1.8 29.5 26.6 78 258 A N H 3< S+ 0 0 38 -4,-2.1 4,-0.4 -5,-0.3 -2,-0.2 0.828 104.2 57.3 -58.0 -34.1 -3.3 30.4 30.0 79 259 A D H 3< S+ 0 0 100 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.816 111.0 43.1 -68.3 -31.4 -2.6 26.9 31.2 80 260 A Y H << S- 0 0 54 -4,-1.1 2,-0.3 -3,-0.6 -2,-0.2 0.955 144.1 -21.0 -70.9 -57.8 1.1 27.5 30.3 81 261 A Y < - 0 0 48 -4,-3.1 2,-1.3 -5,-0.1 -1,-0.2 -0.849 55.3-148.3-157.5 117.4 1.1 31.0 31.8 82 262 A N - 0 0 102 -4,-0.4 -4,-0.1 -2,-0.3 5,-0.1 -0.726 26.1-154.9 -88.0 92.9 -1.9 33.2 32.5 83 263 A D > - 0 0 5 -2,-1.3 3,-1.4 3,-0.3 259,-0.1 -0.546 13.1-151.0 -76.6 119.1 -0.2 36.6 32.0 84 264 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.763 95.4 60.6 -60.3 -21.5 -2.0 39.5 33.8 85 265 A N T 3 S- 0 0 103 1,-0.3 2,-0.2 -67,-0.1 -2,-0.0 0.692 122.7 -54.5 -78.5 -19.3 -0.8 41.9 31.1 86 266 A G < - 0 0 23 -3,-1.4 -3,-0.3 1,-0.1 -1,-0.3 -0.845 32.4-127.6 156.4 163.1 -2.6 40.1 28.2 87 267 A N S S- 0 0 17 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.825 76.9 -13.2-103.8 -49.4 -3.2 36.8 26.4 88 268 A H - 0 0 43 -70,-0.1 -1,-0.3 -37,-0.0 2,-0.3 -0.988 55.8-110.2-153.6 156.4 -2.6 37.5 22.7 89 269 A L E -k 50 0B 5 -40,-2.2 -38,-2.6 -2,-0.3 2,-0.1 -0.703 39.0-131.7 -82.4 146.3 -2.2 40.0 19.9 90 270 A T E > -k 51 0B 49 -2,-0.3 4,-2.6 -40,-0.2 -38,-0.2 -0.449 23.1-105.8 -91.5 170.0 -5.1 40.2 17.4 91 271 A E H > S+ 0 0 46 -40,-0.7 4,-2.7 1,-0.2 5,-0.2 0.904 121.4 52.3 -63.7 -42.5 -4.8 40.1 13.6 92 272 A S H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 110.7 48.0 -57.2 -43.4 -5.5 43.9 13.4 93 273 A Q H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.930 112.7 48.2 -66.5 -42.5 -2.8 44.6 15.9 94 274 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.918 111.7 49.0 -62.6 -44.9 -0.3 42.4 14.1 95 275 A T H X S+ 0 0 43 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.921 113.6 47.1 -62.6 -43.0 -1.1 43.9 10.7 96 276 A D H X S+ 0 0 76 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.903 111.9 50.9 -64.2 -40.7 -0.7 47.4 12.2 97 277 A L H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.925 110.8 47.5 -63.4 -47.3 2.6 46.4 13.9 98 278 A I H X S+ 0 0 7 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.900 113.9 48.1 -60.6 -42.6 4.1 45.0 10.7 99 279 A N H X S+ 0 0 89 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.918 110.9 51.1 -61.4 -46.2 3.0 48.1 8.8 100 280 A Y H X S+ 0 0 69 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.917 113.7 44.6 -57.7 -46.6 4.5 50.3 11.5 101 281 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 3,-1.0 0.926 111.5 53.1 -64.6 -43.7 7.8 48.4 11.3 102 282 A K H ><5S+ 0 0 115 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.885 102.8 57.2 -61.6 -39.7 7.8 48.5 7.5 103 283 A D H 3<5S+ 0 0 145 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.746 109.6 47.5 -62.6 -22.9 7.4 52.3 7.4 104 284 A K T <<5S- 0 0 55 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.369 122.4-105.4 -97.0 4.1 10.6 52.5 9.5 105 285 A G T < 5S+ 0 0 48 -3,-1.8 2,-0.5 1,-0.3 -3,-0.2 0.757 79.2 132.2 74.7 26.8 12.5 50.0 7.3 106 286 A I < - 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0 0 8 41,-2.6 2,-0.6 42,-0.1 43,-0.2 -0.269 31.4-104.2 -70.4 165.3 24.1 55.0 11.3 368 548 A D + 0 0 17 1,-0.1 4,-0.2 41,-0.1 3,-0.1 -0.861 40.5 166.3 -99.7 116.4 21.3 57.2 12.7 369 549 A Y > + 0 0 48 -2,-0.6 4,-2.6 2,-0.1 5,-0.2 0.428 51.7 99.9-104.7 -2.6 20.1 59.9 10.3 370 550 A E H > S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.890 86.3 42.7 -49.6 -52.5 16.9 60.7 12.3 371 551 A S H > S+ 0 0 70 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.786 111.7 54.5 -69.5 -31.3 18.3 63.8 14.0 372 552 A A H > S+ 0 0 4 2,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.911 109.8 47.9 -66.1 -42.5 20.0 65.0 10.7 373 553 A E H X S+ 0 0 120 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.923 113.1 48.0 -59.9 -47.7 16.6 64.8 9.0 374 554 A Q H X S+ 0 0 94 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.915 108.8 53.7 -60.8 -45.3 15.0 66.7 11.9 375 555 A A H < S+ 0 0 7 -4,-2.5 4,-0.3 1,-0.2 3,-0.3 0.876 107.7 50.9 -58.6 -40.1 17.8 69.4 11.8 376 556 A L H >< S+ 0 0 26 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.889 108.0 52.5 -64.6 -38.0 17.1 70.0 8.1 377 557 A N H 3< S+ 0 0 125 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.734 106.4 55.7 -66.9 -23.5 13.4 70.4 8.9 378 558 A E T 3< S+ 0 0 123 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.439 79.3 110.3 -92.5 -2.6 14.2 73.0 11.5 379 559 A V S < S- 0 0 18 -3,-1.0 2,-0.2 -4,-0.3 45,-0.0 -0.520 84.1-102.5 -69.3 136.6 16.3 75.3 9.2 380 560 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.471 28.7-144.3 -62.0 133.4 14.5 78.6 8.5 381 561 A K S S+ 0 0 178 -2,-0.2 2,-0.5 1,-0.1 -2,-0.0 0.823 82.3 50.9 -71.8 -35.0 13.0 78.3 5.0 382 562 A D + 0 0 121 1,-0.1 3,-0.2 2,-0.0 -1,-0.1 -0.927 53.8 170.2-111.2 122.8 13.4 81.9 3.9 383 563 A L > + 0 0 21 -2,-0.5 3,-2.1 1,-0.1 -1,-0.1 0.361 44.6 109.5-112.4 3.5 16.9 83.5 4.3 384 564 A N T 3 S+ 0 0 140 1,-0.3 -1,-0.1 7,-0.0 49,-0.1 0.774 72.7 59.7 -52.2 -34.6 16.4 86.8 2.4 385 565 A R T 3 S+ 0 0 191 -3,-0.2 48,-2.2 47,-0.1 -1,-0.3 0.469 95.4 81.2 -78.6 -1.3 16.5 89.0 5.5 386 566 A Y B < S-P 432 0G 67 -3,-2.1 46,-0.3 46,-0.3 44,-0.1 -0.675 91.7 -86.0-105.6 161.5 20.0 87.8 6.5 387 567 A T > - 0 0 37 44,-2.8 4,-2.5 -2,-0.2 5,-0.2 -0.253 34.7-119.3 -64.2 147.7 23.4 88.9 5.2 388 568 A A H > S+ 0 0 78 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.896 113.8 52.2 -52.3 -44.4 24.8 87.2 2.1 389 569 A E H > S+ 0 0 169 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.914 111.9 43.9 -62.3 -45.0 27.8 85.9 4.1 390 570 A S H > S+ 0 0 13 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.851 114.1 51.7 -71.8 -30.4 25.7 84.3 6.9 391 571 A V H X S+ 0 0 33 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.928 106.6 53.1 -67.4 -47.1 23.3 82.9 4.2 392 572 A T H X S+ 0 0 81 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.898 106.2 54.0 -54.6 -44.2 26.1 81.3 2.3 393 573 A A H X S+ 0 0 37 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.903 109.8 47.0 -60.3 -42.6 27.4 79.5 5.5 394 574 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 32,-0.2 -2,-0.2 0.947 111.4 49.9 -63.1 -48.3 23.9 78.0 6.1 395 575 A K H X S+ 0 0 102 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.886 111.8 49.5 -60.9 -39.7 23.5 76.8 2.5 396 576 A E H X S+ 0 0 107 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.910 111.4 48.2 -62.8 -44.4 27.0 75.2 2.7 397 577 A A H X S+ 0 0 3 -4,-2.2 4,-1.4 2,-0.2 26,-0.2 0.880 112.0 49.9 -63.6 -39.9 26.2 73.5 6.0 398 578 A E H X S+ 0 0 19 -4,-2.7 4,-2.3 2,-0.2 3,-0.3 0.923 110.6 49.5 -63.0 -48.0 22.9 72.2 4.5 399 579 A K H X S+ 0 0 128 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.874 106.6 57.1 -56.3 -41.4 24.7 70.9 1.4 400 580 A A H < S+ 0 0 51 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.845 108.7 45.1 -62.6 -38.0 27.2 69.1 3.6 401 581 A I H >< S+ 0 0 11 -4,-1.4 3,-1.0 -3,-0.3 -1,-0.2 0.908 113.9 47.6 -71.0 -45.7 24.5 67.2 5.4 402 582 A R H 3< S+ 0 0 154 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.731 108.6 58.8 -68.0 -19.1 22.7 66.2 2.2 403 583 A S T 3< S+ 0 0 94 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.605 79.6 117.3 -83.1 -17.3 26.1 65.2 0.8 404 584 A L S < S- 0 0 33 -3,-1.0 2,-0.1 -4,-0.4 -3,-0.1 -0.248 82.2 -97.9 -49.8 136.0 26.7 62.7 3.6 405 585 A D > - 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