==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATION 26-APR-99 3GWX . COMPND 2 MOLECULE: PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.E.XU,M.H.LAMBERT,V.G.MONTANA,D.J.PARKS,S.G.BLANCHARD, . 541 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 19 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 1 2 1 2 2 1 2 0 2 0 1 0 0 0 2 0 1 0 0 2 0 1 1 1 0 1 0 RESIDUES PER ALPHA HELIX . 0 1 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 207 A Q 0 0 201 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.1 10.6 12.0 91.8 2 208 A V + 0 0 102 3,-0.1 3,-0.4 2,-0.1 4,-0.1 0.846 360.0 56.8 -57.7 -34.7 11.1 8.4 90.4 3 209 A A S S+ 0 0 56 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.349 95.1 43.1 -88.5 174.8 7.9 9.0 88.5 4 210 A D S S+ 0 0 111 1,-0.1 4,-0.4 -2,-0.1 -1,-0.2 0.769 93.7 96.2 58.1 20.7 7.3 11.9 86.1 5 211 A L S > S+ 0 0 17 -3,-0.4 4,-0.9 2,-0.2 -2,-0.1 0.609 70.6 60.7-108.5 -27.0 10.8 10.8 85.0 6 212 A K H > S+ 0 0 165 2,-0.2 4,-1.2 1,-0.2 -3,-0.1 0.615 101.3 58.3 -74.2 -14.8 9.5 8.7 82.2 7 213 A A H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.932 102.1 49.4 -78.0 -52.4 8.0 11.9 80.9 8 214 A F H > S+ 0 0 48 -4,-0.4 4,-1.3 1,-0.3 -2,-0.2 0.771 111.6 54.1 -56.7 -24.7 11.4 13.7 80.7 9 215 A S H X S+ 0 0 6 -4,-0.9 4,-1.7 2,-0.2 -1,-0.3 0.869 104.7 50.7 -78.9 -39.0 12.5 10.6 78.9 10 216 A K H X S+ 0 0 135 -4,-1.2 4,-1.4 -3,-0.3 -2,-0.2 0.798 107.0 55.4 -68.7 -29.9 9.7 10.8 76.3 11 217 A H H X S+ 0 0 100 -4,-1.9 4,-2.1 2,-0.2 3,-0.3 0.920 107.6 48.6 -68.9 -41.8 10.6 14.4 75.6 12 218 A I H X S+ 0 0 4 -4,-1.3 4,-1.2 1,-0.2 -2,-0.2 0.877 110.1 53.2 -63.0 -36.0 14.1 13.3 74.8 13 219 A Y H X S+ 0 0 74 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.775 108.0 49.4 -68.6 -28.9 12.6 10.6 72.6 14 220 A N H X S+ 0 0 78 -4,-1.4 4,-1.9 -3,-0.3 -1,-0.2 0.845 107.8 54.5 -77.3 -35.0 10.6 13.2 70.7 15 221 A A H X S+ 0 0 3 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.790 109.8 48.2 -67.8 -26.8 13.7 15.3 70.3 16 222 A Y H X S+ 0 0 1 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.860 111.7 47.5 -80.7 -38.4 15.4 12.2 68.7 17 223 A L H < S+ 0 0 77 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.806 113.6 48.0 -72.9 -30.4 12.5 11.4 66.3 18 224 A K H < S+ 0 0 169 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.665 118.7 37.7 -84.0 -15.7 12.2 15.0 65.2 19 225 A N H < S+ 0 0 24 -4,-0.5 2,-0.5 -3,-0.2 -2,-0.2 0.666 95.7 73.9-115.5 -18.7 15.9 15.6 64.5 20 226 A F < - 0 0 15 -4,-1.5 -1,-0.1 1,-0.1 66,-0.0 -0.881 59.1-153.2-102.2 126.4 17.6 12.5 63.1 21 227 A N S S+ 0 0 95 -2,-0.5 2,-0.4 1,-0.1 -1,-0.1 0.603 84.7 41.6 -72.4 -8.3 16.9 11.6 59.4 22 228 A M - 0 0 38 116,-0.0 2,-0.2 4,-0.0 -1,-0.1 -0.977 67.1-173.9-144.0 126.8 17.6 8.0 60.1 23 229 A T > - 0 0 18 -2,-0.4 4,-1.6 1,-0.1 5,-0.1 -0.708 39.0-111.4-112.9 166.7 16.5 5.8 63.0 24 230 A K H > S+ 0 0 18 -2,-0.2 4,-4.1 2,-0.2 5,-0.3 0.916 116.8 56.9 -64.6 -40.3 17.4 2.2 63.8 25 231 A K H > S+ 0 0 142 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.946 109.7 42.4 -53.6 -55.2 13.8 1.2 63.1 26 232 A K H > S+ 0 0 70 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.810 119.2 48.5 -60.9 -31.4 13.9 2.5 59.6 27 233 A A H >X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 3,-0.9 0.912 108.3 49.0 -76.0 -48.4 17.3 1.1 59.2 28 234 A R H 3< S+ 0 0 84 -4,-4.1 -2,-0.2 1,-0.3 -1,-0.2 0.780 108.5 58.2 -64.2 -24.5 16.7 -2.4 60.5 29 235 A S H >< S+ 0 0 63 -4,-1.6 3,-0.7 -5,-0.3 -1,-0.3 0.748 102.3 52.7 -76.7 -25.4 13.7 -2.5 58.2 30 236 A I H << S+ 0 0 19 -3,-0.9 9,-0.5 -4,-0.5 2,-0.4 0.863 103.9 55.3 -77.8 -36.7 15.8 -1.9 55.1 31 237 A L T 3< S+ 0 0 51 -4,-1.6 -1,-0.2 8,-0.1 -2,-0.1 -0.113 89.8 130.9 -87.3 39.4 18.2 -4.8 55.9 32 238 A T < - 0 0 57 -3,-0.7 6,-0.2 -2,-0.4 7,-0.1 -0.291 66.2-108.8 -85.8 173.8 15.1 -7.0 56.0 33 239 A G - 0 0 58 2,-0.1 -1,-0.1 -2,-0.1 3,-0.1 0.990 63.4 -73.3 -67.2 -82.9 14.6 -10.4 54.3 34 240 A K S > S+ 0 0 156 3,-0.1 3,-3.3 1,-0.0 2,-0.4 0.401 89.3 117.4-151.5 -35.0 12.1 -9.9 51.4 35 241 A A T 3 S- 0 0 67 1,-0.3 -2,-0.1 2,-0.0 -1,-0.0 -0.263 110.6 -15.6 -50.0 102.1 8.6 -9.5 52.9 36 242 A S T 3 S- 0 0 124 -2,-0.4 -1,-0.3 -3,-0.1 -4,-0.1 0.884 104.9-176.0 63.6 39.4 7.8 -6.0 51.6 37 243 A H < - 0 0 45 -3,-3.3 -3,-0.1 1,-0.1 -6,-0.1 0.317 30.8-168.4 -54.0-173.6 11.5 -5.6 50.9 38 244 A T - 0 0 38 -8,-0.3 235,-1.0 234,-0.2 236,-0.7 0.323 17.2-159.2-147.9 -44.2 13.3 -2.5 49.6 39 245 A A - 0 0 19 -9,-0.5 235,-1.8 234,-0.2 236,-0.1 0.940 15.1-134.0 50.2 97.1 16.8 -3.7 48.7 40 246 A P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 100,-0.2 -0.405 29.8 -90.0 -76.7 152.8 19.3 -0.7 48.6 41 247 A F E -a 140 0A 50 98,-2.4 100,-2.2 -2,-0.1 2,-0.3 -0.471 47.8-131.8 -65.9 123.9 21.7 -0.2 45.8 42 248 A V E -a 141 0A 76 -2,-0.3 2,-0.5 98,-0.2 100,-0.2 -0.576 17.8-165.0 -83.7 139.0 25.0 -2.0 46.7 43 249 A I E +a 142 0A 2 98,-2.7 100,-2.0 -2,-0.3 103,-0.2 -0.967 30.5 141.6-121.8 111.1 28.5 -0.5 46.4 44 250 A H + 0 0 70 -2,-0.5 2,-0.3 98,-0.2 -1,-0.1 0.383 63.9 19.0-131.3 0.4 31.3 -3.1 46.6 45 251 A D S > S- 0 0 83 1,-0.1 4,-1.3 101,-0.0 5,-0.1 -0.881 88.9 -85.0-153.8-175.1 33.9 -1.9 44.1 46 252 A I H > S+ 0 0 101 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.878 123.6 53.2 -69.1 -37.7 35.1 1.1 42.1 47 253 A E H >> S+ 0 0 120 2,-0.2 4,-2.7 1,-0.2 3,-0.7 0.994 111.3 42.3 -61.4 -63.6 32.5 0.5 39.4 48 254 A T H 3> S+ 0 0 21 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.763 112.5 56.8 -54.1 -27.8 29.4 0.3 41.6 49 255 A L H 3X S+ 0 0 14 -4,-1.3 4,-2.8 2,-0.2 -1,-0.3 0.900 109.1 45.3 -70.3 -40.8 30.9 3.3 43.5 50 256 A W H S+ 0 0 1 -4,-2.1 5,-3.6 -5,-0.3 -2,-0.2 0.988 105.4 53.4 -65.8 -60.2 26.4 5.1 42.9 53 259 A E H <5S+ 0 0 18 -4,-2.8 5,-0.4 1,-0.2 -1,-0.2 0.815 119.6 36.6 -43.9 -37.2 27.8 8.6 42.5 54 260 A K H <5S+ 0 0 124 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.852 132.9 23.6 -87.6 -36.9 25.8 8.8 39.3 55 261 A G T <5S+ 0 0 51 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.911 134.5 26.5 -89.9 -80.4 22.7 6.9 40.3 56 262 A L T 5S+ 0 0 28 -5,-0.3 -3,-0.2 83,-0.1 -4,-0.1 0.808 99.9 174.0 -52.2 -32.3 22.2 6.9 44.1 57 263 A V < - 0 0 62 -5,-3.6 -3,-0.1 -6,-0.2 -4,-0.1 0.416 32.6-159.0 42.8 176.3 24.1 10.1 44.0 58 264 A W - 0 0 58 -5,-0.4 2,-0.2 1,-0.2 4,-0.1 0.289 37.0-108.7-147.3 -65.9 24.9 12.5 46.9 59 265 A K S S+ 0 0 158 2,-0.2 -1,-0.2 -6,-0.1 -2,-0.0 -0.807 76.2 11.3 166.5-118.5 25.8 16.0 45.6 60 266 A Q S S+ 0 0 146 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.981 98.5 77.9 -53.6 -82.7 29.0 18.0 45.5 61 267 A L + 0 0 10 1,-0.2 -2,-0.2 16,-0.1 -1,-0.1 -0.081 47.3 120.3 -41.2 90.3 31.9 15.7 46.3 62 268 A V + 0 0 80 -2,-0.4 -1,-0.2 -4,-0.1 -2,-0.1 -0.005 39.7 159.5-140.0 19.0 32.4 13.8 43.1 63 269 A N - 0 0 77 11,-0.1 11,-0.0 2,-0.0 -2,-0.0 0.006 45.3 -98.2 -45.5 149.1 36.0 15.0 42.8 64 270 A G - 0 0 38 1,-0.1 10,-0.0 3,-0.0 -1,-0.0 0.418 26.7-131.8 -53.8-158.7 38.3 12.9 40.6 65 271 A L S S+ 0 0 56 8,-0.0 4,-0.4 9,-0.0 8,-0.1 0.599 91.2 48.1-131.8 -52.4 40.7 10.4 41.9 66 272 A P S S+ 0 0 125 0, 0.0 2,-0.5 0, 0.0 4,-0.1 0.926 102.1 74.2 -62.8 -37.5 44.2 10.6 40.6 67 273 A P S S- 0 0 63 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.655 124.1 -46.1 -86.3 123.3 44.4 14.4 41.2 68 274 A Y S S+ 0 0 181 -2,-0.5 2,-0.2 189,-0.0 -3,-0.0 0.530 136.7 46.4 38.2 10.1 44.8 15.9 44.8 69 275 A K S S- 0 0 1 -4,-0.4 2,-0.1 188,-0.1 188,-0.0 -0.768 71.1-178.2-176.3 126.2 42.0 13.4 45.7 70 276 A E > - 0 0 42 -2,-0.2 4,-1.3 -4,-0.1 5,-0.1 -0.324 46.2 -74.5-115.4-164.2 41.7 9.7 44.9 71 277 A I H >> S+ 0 0 34 2,-0.2 4,-1.7 1,-0.2 3,-0.7 0.981 128.0 41.9 -62.6 -62.6 39.3 6.8 45.5 72 278 A S H 3> S+ 0 0 4 1,-0.3 4,-2.4 2,-0.2 3,-0.2 0.893 117.0 50.4 -52.8 -43.4 40.0 6.0 49.1 73 279 A V H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.779 104.7 57.9 -65.5 -30.0 40.1 9.8 49.8 74 280 A H H < S+ 0 0 0 -4,-3.1 3,-1.2 1,-0.2 -2,-0.2 0.962 110.5 44.8 -53.3 -56.0 18.8 17.2 69.1 94 300 A A H >< S+ 0 0 1 -4,-2.2 3,-1.6 1,-0.3 7,-0.3 0.863 109.5 55.4 -57.3 -40.3 20.6 18.6 72.2 95 301 A K H 3< S+ 0 0 76 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.664 96.6 65.0 -70.6 -14.1 19.0 22.0 71.8 96 302 A S T << S+ 0 0 30 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.328 86.2 85.5 -87.7 8.1 15.6 20.3 72.0 97 303 A I S X> S- 0 0 7 -3,-1.6 4,-2.0 1,-0.2 3,-1.7 -0.885 71.8-156.3-111.4 98.3 16.6 19.4 75.5 98 304 A P H 3> S+ 0 0 79 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.832 94.0 56.2 -38.2 -49.4 15.6 22.4 77.8 99 305 A S H 3> S+ 0 0 33 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.870 110.0 46.4 -54.5 -40.5 18.2 21.3 80.3 100 306 A F H X4 S+ 0 0 0 -3,-1.7 3,-0.7 -6,-0.3 -1,-0.2 0.946 110.8 50.1 -67.6 -50.7 20.8 21.5 77.6 101 307 A S H 3< S+ 0 0 49 -4,-2.0 -1,-0.2 -7,-0.3 -2,-0.2 0.588 97.9 71.2 -67.1 -10.2 19.7 24.9 76.2 102 308 A S H 3< S+ 0 0 76 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.939 85.4 81.2 -67.5 -49.7 19.7 26.3 79.8 103 309 A L S << S- 0 0 13 -4,-0.8 2,-0.2 -3,-0.7 -3,-0.0 0.042 98.2 -88.1 -50.9 162.3 23.5 26.3 79.9 104 310 A F >> - 0 0 146 1,-0.1 4,-2.2 4,-0.0 3,-0.7 -0.500 36.1-116.1 -76.3 146.4 25.6 29.0 78.2 105 311 A L H 3> S+ 0 0 114 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.837 114.5 59.9 -51.2 -39.1 26.4 28.5 74.6 106 312 A N H 3> S+ 0 0 85 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.930 109.2 43.2 -58.1 -43.4 30.1 28.3 75.3 107 313 A D H <> S+ 0 0 2 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.888 110.8 56.1 -67.8 -38.6 29.4 25.3 77.5 108 314 A Q H X S+ 0 0 10 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.921 107.8 49.2 -58.7 -44.0 27.0 23.8 75.0 109 315 A V H X S+ 0 0 87 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.886 106.8 54.0 -64.6 -38.9 29.8 24.0 72.4 110 316 A T H X S+ 0 0 28 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.892 111.3 47.2 -65.2 -34.9 32.3 22.3 74.6 111 317 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 5,-0.3 0.936 113.7 45.3 -70.5 -46.8 29.8 19.5 75.1 112 318 A L H X S+ 0 0 19 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.897 112.7 55.9 -64.5 -33.1 29.0 19.1 71.4 113 319 A K H < S+ 0 0 40 -4,-2.9 4,-0.2 -5,-0.2 -2,-0.2 0.879 117.1 29.5 -66.3 -41.2 32.8 19.3 70.8 114 320 A Y H < S+ 0 0 25 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.583 128.1 40.3 -98.3 -8.2 33.9 16.4 73.0 115 321 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 3,-0.3 0.665 88.4 83.5-111.2 -20.5 30.8 14.3 72.7 116 322 A V H X S+ 0 0 1 -4,-1.9 4,-1.9 -5,-0.3 -3,-0.1 0.828 93.7 48.3 -55.7 -37.2 29.6 14.5 69.1 117 323 A H H > S+ 0 0 5 -4,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.857 109.2 52.7 -72.3 -35.5 32.0 11.8 67.8 118 324 A E H > S+ 0 0 3 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.898 112.6 45.3 -64.3 -42.4 31.0 9.4 70.6 119 325 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.878 109.5 56.5 -68.6 -36.4 27.4 9.8 69.7 120 326 A I H X S+ 0 0 15 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.812 108.8 46.3 -65.0 -29.8 28.2 9.4 66.0 121 327 A F H X S+ 0 0 14 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.816 109.2 52.9 -84.4 -29.7 29.8 6.1 66.7 122 328 A A H >< S+ 0 0 0 -4,-1.6 3,-0.8 1,-0.2 4,-0.3 0.956 114.5 43.3 -66.5 -48.4 27.0 4.8 68.9 123 329 A M H >X S+ 0 0 24 -4,-2.4 3,-2.3 1,-0.2 4,-0.7 0.829 98.5 72.5 -64.5 -36.6 24.4 5.7 66.2 124 330 A L H >X S+ 0 0 34 -4,-1.3 3,-0.9 1,-0.3 4,-0.5 0.853 89.7 63.4 -46.9 -37.3 26.6 4.3 63.4 125 331 A A H << S+ 0 0 0 -4,-0.8 3,-0.4 -3,-0.8 -1,-0.3 0.776 92.1 64.0 -59.5 -30.7 25.7 0.8 64.8 126 332 A S H <4 S+ 0 0 8 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.834 111.1 34.4 -64.7 -35.0 22.0 1.4 63.9 127 333 A I H << S+ 0 0 39 -3,-0.9 7,-1.9 -4,-0.7 -1,-0.2 0.360 104.8 99.0 -99.8 2.1 22.8 1.6 60.1 128 334 A V B < -B 133 0A 0 -4,-0.5 2,-0.3 -3,-0.4 5,-0.2 -0.523 49.1-169.4 -95.3 159.5 25.5 -1.0 60.2 129 335 A N - 0 0 48 3,-2.6 37,-0.1 -2,-0.2 3,-0.1 -0.884 41.3-103.4-137.3 168.4 25.5 -4.6 59.4 130 336 A K S S+ 0 0 129 -2,-0.3 3,-0.1 1,-0.2 36,-0.1 0.806 124.3 32.9 -63.6 -26.7 27.9 -7.5 59.9 131 337 A D S S- 0 0 99 1,-0.1 13,-3.9 13,-0.1 14,-0.6 0.532 129.8 -40.9-108.2 -10.4 28.8 -7.1 56.1 132 338 A G E - C 0 143A 0 11,-0.3 -3,-2.6 12,-0.2 2,-0.3 -0.957 57.8 -97.2 176.8-157.9 28.4 -3.4 55.4 133 339 A L E -BC 128 142A 23 9,-2.2 9,-2.8 -2,-0.3 -5,-0.2 -0.999 25.1-105.5-155.7 154.0 26.4 -0.3 56.0 134 340 A L E - C 0 141A 5 -7,-1.9 2,-0.3 -2,-0.3 7,-0.3 -0.398 33.9-175.8 -74.2 150.4 23.7 2.0 54.6 135 341 A V E > + C 0 140A 32 5,-2.0 5,-2.6 1,-0.3 4,-0.3 -0.970 55.3 25.3-144.8 158.3 24.4 5.4 53.0 136 342 A A T > 5S- 0 0 32 -2,-0.3 3,-2.9 1,-0.2 4,-0.4 0.970 136.3 -39.5 50.4 77.3 22.4 8.2 51.6 137 343 A N T 3 5S- 0 0 104 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.673 110.2 -61.4 48.1 24.7 19.2 7.7 53.6 138 344 A G T 3 5S+ 0 0 7 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.428 111.6 118.8 86.3 -3.7 19.4 3.9 53.2 139 345 A S T < 5S+ 0 0 44 -3,-2.9 -98,-2.4 -4,-0.3 2,-0.2 0.844 76.7 38.0 -62.9 -33.4 19.3 4.3 49.4 140 346 A G E < -aC 41 135A 0 -5,-2.6 -5,-2.0 -4,-0.4 2,-0.3 -0.733 63.9-156.8-119.0 168.2 22.7 2.7 49.3 141 347 A F E -aC 42 134A 27 -100,-2.2 -98,-2.7 -7,-0.3 2,-0.5 -0.883 7.7-160.9-147.4 110.3 24.7 -0.0 51.0 142 348 A V E -aC 43 133A 14 -9,-2.8 -9,-2.2 -2,-0.3 -98,-0.2 -0.803 23.9-123.6 -95.6 125.1 28.5 -0.1 51.1 143 349 A T E > - C 0 132A 15 -100,-2.0 4,-1.9 -2,-0.5 -11,-0.3 -0.293 7.0-132.2 -69.7 149.6 30.1 -3.4 51.9 144 350 A R H > S+ 0 0 39 -13,-3.9 4,-2.0 1,-0.2 -12,-0.2 0.847 108.4 59.6 -65.8 -33.8 32.6 -3.9 54.7 145 351 A E H 4 S+ 0 0 121 -14,-0.6 4,-0.3 2,-0.2 -1,-0.2 0.931 103.8 49.4 -61.6 -47.9 34.8 -5.7 52.3 146 352 A F H >4 S+ 0 0 11 1,-0.2 3,-3.3 2,-0.2 -2,-0.2 0.984 108.4 52.2 -55.7 -60.3 35.1 -2.7 50.0 147 353 A L H >< S+ 0 0 12 -4,-1.9 3,-1.4 1,-0.3 -1,-0.2 0.857 106.3 54.1 -45.9 -43.0 35.9 -0.3 52.8 148 354 A R T 3< S+ 0 0 132 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.469 96.9 67.9 -74.9 2.5 38.8 -2.5 54.0 149 355 A S T < S+ 0 0 80 -3,-3.3 -1,-0.3 -4,-0.3 -2,-0.2 0.201 80.1 105.2-102.5 12.1 40.3 -2.5 50.6 150 356 A L S < S- 0 0 18 -3,-1.4 6,-0.0 1,-0.2 -3,-0.0 -0.298 89.6 -62.4 -85.9 173.4 41.2 1.2 50.7 151 357 A R > - 0 0 75 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.338 61.2-102.4 -57.4 139.1 44.7 2.6 51.2 152 358 A K H > S+ 0 0 159 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.711 117.2 54.4 -33.7 -41.8 46.1 1.6 54.6 153 359 A P H >> S+ 0 0 36 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.997 115.1 34.1 -62.3 -65.0 45.4 4.9 56.2 154 360 A F H >> S+ 0 0 5 1,-0.2 3,-0.8 -3,-0.2 4,-0.8 0.826 112.7 62.8 -57.6 -37.4 41.7 5.3 55.4 155 361 A S H 3X S+ 0 0 12 -4,-2.2 4,-1.6 1,-0.2 3,-0.4 0.873 102.8 46.6 -58.8 -41.6 41.0 1.5 55.7 156 362 A D H << S+ 0 0 56 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.523 102.7 60.5 -86.1 -2.5 41.9 1.2 59.4 157 363 A I H << S+ 0 0 14 -3,-0.8 4,-0.3 -4,-0.6 -1,-0.2 0.688 110.3 46.7 -88.6 -19.3 40.0 4.2 60.7 158 364 A I H >X S+ 0 0 28 -4,-0.8 4,-0.9 -3,-0.4 3,-0.8 0.891 101.2 62.8 -85.1 -46.3 36.9 2.4 59.4 159 365 A E H >X S+ 0 0 37 -4,-1.6 4,-1.8 1,-0.2 3,-1.6 0.911 96.7 55.3 -47.5 -59.5 37.5 -1.1 60.7 160 366 A P H 3> S+ 0 0 26 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.813 101.0 61.4 -47.3 -35.8 37.4 -0.4 64.5 161 367 A K H <> S+ 0 0 20 -3,-0.8 4,-2.6 -4,-0.3 -2,-0.2 0.875 106.1 46.1 -60.1 -39.0 33.9 1.3 64.0 162 368 A F H < S+ 0 0 3 -4,-2.3 3,-1.6 1,-0.2 5,-0.3 0.928 103.0 54.4 -68.3 -42.8 26.8 -2.9 70.2 169 375 A N H >< S+ 0 0 35 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.667 91.4 74.2 -66.5 -14.7 23.9 -4.3 68.2 170 376 A A T 3< S+ 0 0 64 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.795 84.8 66.4 -67.0 -26.3 24.0 -7.5 70.3 171 377 A L T < S- 0 0 12 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.660 101.0-139.8 -68.3 -15.8 22.4 -5.4 73.1 172 378 A E < + 0 0 141 -3,-1.3 2,-0.2 -4,-0.2 -3,-0.1 0.894 32.0 178.2 58.8 49.6 19.3 -5.1 70.9 173 379 A L - 0 0 6 -5,-0.3 2,-0.2 1,-0.0 -1,-0.2 -0.521 17.1-146.6 -83.7 149.2 18.4 -1.5 71.7 174 380 A D >> - 0 0 54 -2,-0.2 4,-2.2 -150,-0.0 3,-0.5 -0.494 35.7 -92.9-103.0 178.7 15.5 0.4 70.1 175 381 A D H 3> S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.868 122.9 57.5 -62.6 -38.3 15.4 4.1 69.2 176 382 A S H 3> S+ 0 0 14 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.822 109.1 47.5 -62.5 -32.0 13.8 5.2 72.5 177 383 A D H <> S+ 0 0 2 -3,-0.5 4,-2.5 2,-0.2 3,-0.4 0.947 110.3 51.6 -71.5 -49.3 16.8 3.6 74.3 178 384 A L H X S+ 0 0 1 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.857 102.4 60.3 -55.8 -36.9 19.3 5.3 72.0 179 385 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.940 110.1 41.1 -58.7 -46.1 17.7 8.7 72.6 180 386 A L H X S+ 0 0 0 -4,-1.1 4,-1.6 -3,-0.4 -1,-0.2 0.908 116.1 51.1 -66.6 -41.2 18.5 8.4 76.3 181 387 A F H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.911 111.6 45.3 -62.2 -47.8 21.9 6.9 75.6 182 388 A I H X S+ 0 0 0 -4,-3.4 4,-1.6 1,-0.2 -1,-0.2 0.872 110.6 54.0 -66.9 -36.6 23.0 9.6 73.2 183 389 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.858 107.5 54.2 -64.6 -33.9 21.7 12.3 75.5 184 390 A A H < S+ 0 0 1 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.917 106.3 48.4 -65.7 -46.5 23.9 10.7 78.2 185 391 A I H < S+ 0 0 0 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.814 115.5 46.1 -68.6 -25.9 27.1 10.9 76.2 186 392 A I H < S+ 0 0 2 -4,-1.6 2,-1.9 1,-0.2 -2,-0.2 0.934 106.9 53.7 -81.7 -47.6 26.4 14.5 75.3 187 393 A L S < S+ 0 0 1 -4,-2.5 2,-0.5 -5,-0.2 -1,-0.2 -0.418 81.5 149.0 -85.6 62.7 25.5 15.9 78.7 188 394 A C > - 0 0 1 -2,-1.9 3,-1.0 -3,-0.4 13,-0.1 -0.867 42.2-152.6-102.5 123.0 28.7 14.5 80.2 189 395 A G T 3 S+ 0 0 8 -2,-0.5 12,-0.2 1,-0.2 -1,-0.1 0.602 83.6 71.4 -72.2 -12.3 30.3 16.3 83.1 190 396 A D T 3 + 0 0 119 10,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.293 66.2 133.0 -88.6 13.0 33.9 15.3 82.5 191 397 A R X - 0 0 18 -3,-1.0 3,-2.0 1,-0.1 2,-0.1 -0.461 63.9-106.9 -72.7 130.7 34.4 17.4 79.4 192 398 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.265 102.6 13.9 -54.4 120.8 37.6 19.5 79.2 193 399 A G T 3 S+ 0 0 68 1,-0.3 2,-0.2 -2,-0.1 -83,-0.1 0.516 82.2 159.3 90.4 3.9 37.0 23.2 79.6 194 400 A L < - 0 0 22 -3,-2.0 3,-0.4 1,-0.2 -1,-0.3 -0.448 23.9-164.4 -63.0 130.0 33.5 22.8 81.0 195 401 A M S S+ 0 0 107 1,-0.2 2,-1.0 -2,-0.2 -1,-0.2 0.966 80.2 32.5 -80.7 -61.6 32.6 25.9 82.9 196 402 A N >> + 0 0 67 1,-0.2 4,-1.7 -92,-0.1 3,-0.6 -0.516 69.4 156.0 -99.1 68.4 29.5 24.9 85.0 197 403 A V H 3> + 0 0 45 -2,-1.0 4,-3.5 -3,-0.4 5,-0.3 0.832 68.4 61.1 -62.2 -37.3 30.3 21.2 85.6 198 404 A P H 3> S+ 0 0 83 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.882 107.4 47.1 -60.4 -31.4 28.1 20.9 88.7 199 405 A R H <> S+ 0 0 114 -3,-0.6 4,-1.4 2,-0.2 -2,-0.2 0.928 115.2 44.8 -71.9 -44.7 25.2 21.8 86.6 200 406 A V H >X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 3,-0.6 0.947 107.1 57.9 -64.5 -50.6 26.1 19.4 83.9 201 407 A E H 3X S+ 0 0 97 -4,-3.5 4,-2.3 1,-0.3 -1,-0.2 0.875 107.0 51.1 -47.4 -40.8 26.9 16.5 86.3 202 408 A A H 3X S+ 0 0 47 -4,-1.2 4,-1.9 -5,-0.3 -1,-0.3 0.857 108.7 47.9 -67.3 -39.7 23.3 16.9 87.6 203 409 A I H X S+ 0 0 10 -4,-2.0 4,-1.0 1,-0.2 3,-0.5 0.630 102.9 63.2 -70.5 -14.3 15.5 -0.1 80.4 216 422 A Q T 34 S+ 0 0 126 -4,-0.5 -2,-0.2 -3,-0.3 -1,-0.2 0.962 109.6 34.6 -72.1 -54.2 13.3 -1.4 83.2 217 423 A A T 3< S+ 0 0 89 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 -0.156 125.1 39.8 -95.4 37.5 10.1 -1.2 81.3 218 424 A N T <4 S+ 0 0 55 -3,-0.5 -3,-0.2 -2,-0.1 -1,-0.2 0.382 121.6 33.7-148.7 -31.2 11.4 -2.0 77.8 219 425 A H < + 0 0 35 -4,-1.0 6,-0.1 -5,-0.2 -2,-0.1 -0.324 67.8 151.7-127.9 50.9 13.9 -4.8 78.4 220 426 A P + 0 0 90 0, 0.0 2,-1.4 0, 0.0 -1,-0.1 0.937 69.7 50.4 -43.3 -73.4 12.5 -6.8 81.4 221 427 A D S S+ 0 0 167 -3,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.587 92.1 112.4 -73.1 95.9 13.9 -10.2 80.5 222 428 A A - 0 0 47 -2,-1.4 3,-0.1 1,-0.1 -3,-0.1 -0.952 62.3-113.2-167.3 148.6 17.5 -9.1 80.0 223 429 A Q S S- 0 0 86 -2,-0.3 2,-2.0 1,-0.2 3,-0.3 0.546 76.2 -40.4 -59.9-147.8 21.0 -9.5 81.6 224 430 A Y S > S+ 0 0 192 1,-0.2 4,-1.3 2,-0.1 -1,-0.2 -0.477 79.1 154.0 -83.1 67.2 23.0 -6.7 83.1 225 431 A L H > + 0 0 10 -2,-2.0 4,-2.0 2,-0.2 5,-0.2 0.977 60.6 52.8 -62.1 -60.5 22.0 -4.2 80.4 226 432 A F H >> S+ 0 0 40 -3,-0.3 4,-1.2 1,-0.3 3,-1.1 0.925 116.8 35.9 -44.7 -65.1 22.3 -0.9 82.3 227 433 A P H 3> S+ 0 0 71 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.838 111.6 63.0 -62.8 -25.0 25.9 -1.3 83.5 228 434 A K H 3X S+ 0 0 80 -4,-1.3 4,-0.9 1,-0.2 -2,-0.2 0.852 104.1 48.6 -65.0 -30.7 26.7 -3.1 80.3 229 435 A L H < + 0 0 27 -4,-1.8 3,-1.7 -5,-0.4 -1,-0.2 -0.428 61.8 153.7-101.2 57.7 47.9 12.8 53.9 255 461 A T T 3 + 0 0 125 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.778 66.7 65.1 -55.7 -28.8 48.7 16.5 53.4 256 462 A E T 3 S+ 0 0 101 -3,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.763 91.3 74.0 -67.8 -26.8 47.1 16.2 49.9 257 463 A T S < S- 0 0 15 -3,-1.7 2,-0.3 -7,-0.2 -188,-0.1 -0.727 79.4-135.1 -93.4 139.4 43.7 15.5 51.4 258 464 A S - 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