==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 06-OCT-08 3ET3 . COMPND 2 MOLECULE: PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.Y.J.ZHANG,W.WANG . 276 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13961.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 1 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 . 10 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 56.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 2 1 0 3 0 1 0 1 1 0 0 0 0 0 1 0 0 0 2 0 0 0 1 0 1 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 1 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 ANTIPARALLEL 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 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 1 206 A M 0 0 94 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 132.5 37.9 58.4 86.0 2 207 A E >> - 0 0 129 1,-0.0 4,-2.0 0, 0.0 3,-0.9 -0.602 360.0 -91.2 -98.7 166.5 35.2 60.9 85.1 3 208 A S H 3> S+ 0 0 76 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.839 121.8 54.2 -46.0 -53.7 32.3 60.4 82.8 4 209 A A H 3> S+ 0 0 60 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.894 112.1 46.0 -51.1 -44.0 33.9 61.5 79.5 5 210 A D H <> S+ 0 0 80 -3,-0.9 4,-2.3 1,-0.2 -1,-0.3 0.886 111.1 52.3 -65.9 -41.1 36.7 59.1 80.1 6 211 A L H X S+ 0 0 13 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.860 109.9 49.2 -62.2 -36.7 34.3 56.3 81.0 7 212 A R H X S+ 0 0 91 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.863 109.8 51.0 -70.6 -38.0 32.4 57.0 77.7 8 213 A A H X S+ 0 0 62 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.901 110.1 50.5 -64.3 -41.1 35.6 56.9 75.7 9 214 A L H X S+ 0 0 20 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.922 108.9 51.4 -62.8 -45.5 36.5 53.5 77.3 10 215 A A H X S+ 0 0 5 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.903 113.0 44.7 -57.7 -44.0 33.1 52.1 76.5 11 216 A K H X S+ 0 0 139 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.915 110.3 54.8 -68.8 -41.8 33.4 53.1 72.8 12 217 A H H X S+ 0 0 86 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.935 111.9 44.4 -52.2 -49.5 37.0 51.8 72.7 13 218 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.890 110.9 53.8 -65.0 -41.9 35.8 48.5 73.9 14 219 A Y H X S+ 0 0 84 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.906 108.7 49.0 -59.4 -44.9 32.8 48.4 71.6 15 220 A D H X S+ 0 0 55 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.900 114.0 44.7 -63.8 -42.6 34.9 49.0 68.5 16 221 A S H X S+ 0 0 13 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.848 110.5 56.1 -70.4 -33.6 37.4 46.3 69.4 17 222 A Y H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 3,-0.3 0.939 107.6 48.8 -58.7 -48.1 34.5 44.0 70.2 18 223 A I H < S+ 0 0 70 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.867 113.4 46.8 -62.4 -35.9 33.1 44.6 66.7 19 224 A K H < S+ 0 0 172 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.757 116.9 43.9 -77.7 -22.6 36.6 43.9 65.2 20 225 A S H < S+ 0 0 19 -4,-1.7 -2,-0.2 -3,-0.3 -3,-0.2 0.787 108.8 53.1 -92.5 -32.9 37.1 40.7 67.3 21 226 A F < - 0 0 5 -4,-2.3 -1,-0.2 -5,-0.2 55,-0.0 -0.898 59.8-166.4-114.9 107.7 33.7 38.9 67.1 22 227 A P S S+ 0 0 93 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.877 80.7 53.5 -58.0 -43.8 32.3 38.3 63.6 23 228 A L S S- 0 0 46 4,-0.1 2,-0.1 3,-0.0 105,-0.1 -0.842 76.3-170.3-101.9 107.1 28.8 37.5 64.8 24 229 A T > - 0 0 9 -2,-0.8 4,-2.4 1,-0.1 5,-0.1 -0.363 36.8-110.8 -86.0 167.6 27.3 40.2 67.0 25 230 A K H > S+ 0 0 17 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.899 117.8 59.6 -63.1 -39.7 24.1 40.0 69.1 26 231 A A H > S+ 0 0 62 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.946 110.8 38.7 -52.9 -53.7 22.6 42.6 66.7 27 232 A K H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.946 115.7 53.9 -62.3 -49.5 23.0 40.3 63.7 28 233 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.889 109.7 45.1 -53.1 -47.0 22.1 37.2 65.6 29 234 A R H X S+ 0 0 65 -4,-3.1 4,-1.8 1,-0.2 6,-0.3 0.827 109.3 57.0 -72.8 -29.4 18.8 38.6 66.9 30 235 A A H X>S+ 0 0 24 -4,-1.6 5,-1.8 -5,-0.3 4,-0.8 0.915 111.3 43.2 -62.4 -43.8 18.0 39.8 63.4 31 236 A I H ><5S+ 0 0 25 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.924 114.1 50.0 -65.6 -48.7 18.4 36.3 62.1 32 237 A L H 3<5S+ 0 0 36 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.772 114.4 45.6 -58.5 -31.0 16.5 34.8 65.1 33 238 A T H 3<5S- 0 0 78 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.610 108.4-123.5 -91.0 -13.9 13.7 37.3 64.5 34 239 A G T <<5S+ 0 0 50 -4,-0.8 2,-0.3 -3,-0.6 -3,-0.2 0.588 73.1 131.0 78.1 12.3 13.6 36.7 60.7 35 240 A K < + 0 0 172 -5,-1.8 2,-0.3 -6,-0.3 -4,-0.2 -0.141 45.2 92.4 -91.9 38.9 14.1 40.5 60.4 36 241 A T S S- 0 0 42 -2,-0.3 4,-0.1 -6,-0.2 -9,-0.0 -0.930 75.6-134.0-126.4 153.9 17.0 40.1 57.9 37 242 A T S S+ 0 0 151 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.592 81.4 106.1 -75.4 -12.3 17.1 40.0 54.1 38 243 A D S S- 0 0 97 1,-0.1 2,-0.2 0, 0.0 -2,-0.2 -0.257 86.3 -96.3 -64.3 153.5 19.4 36.9 54.6 39 244 A K - 0 0 165 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.540 50.4 -94.3 -73.5 138.0 18.0 33.5 53.9 40 245 A S - 0 0 103 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.138 49.6 -95.1 -52.5 143.3 16.7 31.7 57.0 41 246 A P - 0 0 23 0, 0.0 2,-0.4 0, 0.0 89,-0.3 -0.160 40.1-102.2 -56.8 151.9 19.1 29.3 58.8 42 247 A F E -a 130 0A 58 87,-2.6 89,-2.8 -3,-0.1 2,-0.6 -0.652 40.9-130.1 -72.3 131.7 19.1 25.7 58.0 43 248 A V E -a 131 0A 66 -2,-0.4 2,-0.7 87,-0.2 89,-0.2 -0.774 17.2-163.0 -93.5 120.8 17.3 23.9 60.8 44 249 A I E +a 132 0A 0 87,-2.2 89,-2.4 -2,-0.6 92,-0.2 -0.914 29.8 146.8 -98.9 114.0 19.0 20.9 62.4 45 250 A Y + 0 0 133 -2,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.380 65.7 3.6-125.5 -3.8 16.3 19.0 64.4 46 251 A D S > S- 0 0 47 1,-0.1 4,-2.0 15,-0.0 -1,-0.2 -0.969 87.0 -78.0-168.6 178.5 17.5 15.4 64.0 47 252 A M H > S+ 0 0 112 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.904 124.6 48.9 -57.4 -46.6 20.2 13.1 62.6 48 253 A N H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.920 111.6 47.6 -59.3 -48.8 18.9 13.3 59.0 49 254 A S H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.801 111.6 53.5 -66.0 -29.2 18.7 17.1 59.0 50 255 A L H X S+ 0 0 12 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.981 112.3 40.7 -66.6 -59.5 22.2 17.3 60.5 51 256 A M H >< S+ 0 0 137 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.895 118.2 50.8 -54.3 -41.5 23.9 15.1 57.8 52 257 A M H 3< S+ 0 0 113 -4,-2.4 -1,-0.2 -5,-0.3 3,-0.2 0.845 110.7 46.4 -68.2 -37.3 21.8 16.9 55.2 53 258 A G H >X S+ 0 0 1 -4,-1.8 3,-2.0 1,-0.2 4,-1.4 0.475 77.6 104.2 -88.1 -2.2 22.6 20.4 56.3 54 259 A E T << + 0 0 72 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.1 0.189 65.9 77.8 -67.7 22.5 26.4 19.8 56.6 55 260 A D T 34 S+ 0 0 150 -2,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.507 108.8 19.7-108.9 -11.0 26.7 21.7 53.3 56 261 A K T <4 0 0 68 -3,-2.0 -2,-0.2 73,-0.0 73,-0.1 0.463 360.0 360.0-126.4 -17.2 26.3 25.2 54.8 57 262 A I < 0 0 55 -4,-1.4 69,-0.1 -7,-0.1 70,-0.0 -0.262 360.0 360.0-100.6 360.0 27.1 24.5 58.4 58 ! 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 59 275 A K 0 0 153 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-148.5 30.7 8.4 64.0 60 276 A E >> - 0 0 79 1,-0.1 4,-1.8 4,-0.0 3,-0.5 -0.560 360.0-108.9 -92.4 158.1 27.4 8.8 65.8 61 277 A V H 3> S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.907 114.8 54.3 -50.1 -55.3 25.3 11.9 65.9 62 278 A A H 3> S+ 0 0 1 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.869 112.3 45.4 -48.9 -42.3 26.0 12.8 69.6 63 279 A I H <> S+ 0 0 5 -3,-0.5 4,-1.9 2,-0.2 -1,-0.3 0.800 108.8 54.7 -77.0 -30.5 29.7 12.7 68.9 64 280 A R H X S+ 0 0 113 -4,-1.8 4,-2.0 -3,-0.5 -2,-0.2 0.896 110.7 46.9 -67.3 -39.8 29.5 14.7 65.7 65 281 A I H X S+ 0 0 13 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.922 109.6 53.3 -67.2 -43.4 27.7 17.5 67.6 66 282 A F H X S+ 0 0 24 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.900 111.0 47.3 -55.9 -42.3 30.2 17.4 70.4 67 283 A Q H X S+ 0 0 64 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.850 109.0 53.1 -72.0 -36.6 33.0 17.8 67.8 68 284 A G H X S+ 0 0 43 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.921 110.4 48.1 -59.6 -45.9 31.3 20.7 66.1 69 285 A C H X S+ 0 0 53 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.888 111.1 50.6 -61.4 -40.7 30.9 22.5 69.4 70 286 A Q H X S+ 0 0 25 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.887 107.8 52.4 -67.9 -40.2 34.5 21.9 70.2 71 287 A F H X S+ 0 0 134 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.900 113.0 45.8 -58.4 -42.8 35.6 23.3 66.8 72 288 A R H X S+ 0 0 98 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.922 109.1 53.9 -68.9 -45.1 33.6 26.4 67.6 73 289 A S H X S+ 0 0 26 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.920 106.5 53.5 -53.7 -45.8 34.9 26.8 71.2 74 290 A V H X S+ 0 0 8 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.919 110.9 45.5 -58.0 -44.9 38.4 26.7 69.8 75 291 A E H X S+ 0 0 80 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.856 111.1 54.0 -65.3 -34.3 37.6 29.5 67.4 76 292 A A H X S+ 0 0 3 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.898 104.1 54.5 -69.6 -40.3 35.8 31.5 70.2 77 293 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.898 107.9 50.4 -58.1 -41.1 38.9 31.3 72.4 78 294 A Q H X S+ 0 0 88 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.920 112.0 47.0 -64.9 -41.4 41.0 32.8 69.7 79 295 A E H X S+ 0 0 29 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.898 112.1 49.8 -65.3 -42.4 38.4 35.6 69.2 80 296 A I H X S+ 0 0 1 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.882 108.3 54.0 -65.6 -35.1 38.2 36.3 73.0 81 297 A T H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.913 107.8 49.4 -66.7 -41.3 42.0 36.4 73.2 82 298 A E H X S+ 0 0 101 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.933 112.6 48.6 -62.2 -43.1 42.1 39.1 70.5 83 299 A Y H >X S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 4,-0.7 0.945 107.6 54.1 -62.0 -47.6 39.5 41.0 72.4 84 300 A A H >< S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.3 6,-0.2 0.900 102.0 58.4 -51.6 -43.3 41.3 40.7 75.7 85 301 A K H 3< S+ 0 0 51 -4,-1.9 6,-0.3 1,-0.3 -1,-0.3 0.675 102.7 55.9 -65.6 -15.1 44.5 42.2 74.1 86 302 A S H << S+ 0 0 31 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.617 78.9 105.9 -90.3 -15.0 42.4 45.3 73.2 87 303 A I S X< S- 0 0 1 -3,-1.7 3,-2.4 -4,-0.7 4,-0.4 -0.539 87.6-105.1 -70.1 119.5 41.3 46.0 76.8 88 304 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.235 102.8 11.5 -52.4 120.4 43.3 49.0 78.0 89 305 A G T > S+ 0 0 24 -4,-0.1 3,-0.9 4,-0.0 4,-0.4 0.091 96.4 105.9 102.6 -20.3 46.0 47.8 80.4 90 306 A F G X S+ 0 0 0 -3,-2.4 3,-1.4 1,-0.2 -5,-0.1 0.907 79.2 47.1 -60.2 -47.0 45.7 44.1 79.7 91 307 A V G 3 S+ 0 0 70 -4,-0.4 -1,-0.2 -6,-0.3 4,-0.1 0.559 103.5 64.7 -78.2 -4.1 48.8 43.6 77.7 92 308 A N G < S+ 0 0 140 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.517 86.3 96.8 -88.8 -7.1 50.8 45.6 80.2 93 309 A L S < S- 0 0 16 -3,-1.4 5,-0.1 -4,-0.4 -4,-0.0 -0.413 97.6 -76.1 -78.0 156.3 50.1 42.9 82.8 94 310 A D >> - 0 0 76 1,-0.2 4,-2.1 92,-0.1 3,-1.0 -0.289 44.3-126.9 -47.0 128.1 52.5 40.1 83.7 95 311 A L H 3> S+ 0 0 65 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.843 109.7 57.2 -52.9 -37.2 52.2 37.6 80.8 96 312 A N H 3> S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.873 106.8 48.0 -63.2 -36.9 51.5 34.8 83.3 97 313 A D H <> S+ 0 0 2 -3,-1.0 4,-2.9 2,-0.2 -2,-0.2 0.887 107.3 56.1 -71.6 -36.8 48.6 36.7 84.7 98 314 A Q H X S+ 0 0 6 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.907 108.9 48.2 -56.2 -42.6 47.3 37.4 81.1 99 315 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.939 111.3 49.5 -64.9 -46.5 47.3 33.6 80.7 100 316 A T H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 5,-0.4 0.929 108.8 52.2 -56.9 -48.1 45.5 33.0 84.0 101 317 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.901 114.8 41.9 -59.8 -40.3 42.8 35.6 83.2 102 318 A L H X S+ 0 0 1 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.907 109.6 58.5 -70.3 -43.5 42.1 33.9 79.8 103 319 A K H < S+ 0 0 6 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.919 120.7 27.3 -52.2 -47.2 42.3 30.4 81.2 104 320 A Y H X S+ 0 0 16 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.814 124.2 50.0 -85.7 -32.3 39.5 31.1 83.7 105 321 A G H X S+ 0 0 1 -4,-2.3 4,-1.9 -5,-0.4 5,-0.2 0.800 90.3 74.9 -80.8 -29.9 37.7 33.8 81.7 106 322 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.877 97.3 44.0 -59.3 -45.6 37.2 32.2 78.2 107 323 A H H > S+ 0 0 10 -4,-0.4 4,-2.3 -5,-0.2 -1,-0.2 0.869 111.4 54.4 -68.4 -33.4 34.4 29.7 78.9 108 324 A E H X S+ 0 0 3 -4,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.883 111.6 45.9 -62.9 -39.4 32.5 32.3 81.0 109 325 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.906 107.8 57.3 -69.6 -42.6 32.6 34.6 78.0 110 326 A I H X S+ 0 0 21 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.941 109.1 45.1 -52.8 -48.0 31.7 31.8 75.6 111 327 A Y H X S+ 0 0 8 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.847 111.0 54.3 -65.9 -35.2 28.4 31.1 77.5 112 328 A T H X S+ 0 0 0 -4,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.921 114.2 40.2 -62.3 -44.9 27.7 34.9 77.7 113 329 A M H X S+ 0 0 24 -4,-2.6 4,-0.7 1,-0.2 3,-0.5 0.805 106.4 64.0 -78.5 -28.5 28.0 35.2 73.9 114 330 A L H >< S+ 0 0 35 -4,-2.4 3,-1.1 -5,-0.3 4,-0.3 0.863 95.2 61.3 -59.5 -36.9 26.2 31.9 73.3 115 331 A A H >< S+ 0 0 0 -4,-1.4 3,-1.4 1,-0.3 -1,-0.2 0.857 96.2 59.0 -58.0 -37.6 23.1 33.6 74.9 116 332 A S H 3< S+ 0 0 6 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.782 108.8 46.2 -60.6 -26.8 23.2 36.1 72.1 117 333 A L T << S+ 0 0 24 -3,-1.1 7,-2.2 -4,-0.7 2,-0.3 0.399 105.2 82.4 -94.8 -0.6 22.8 33.2 69.7 118 334 A M E < +B 123 0A 0 -3,-1.4 2,-0.3 -4,-0.3 5,-0.2 -0.799 42.8 174.3-113.1 145.3 20.0 31.5 71.7 119 335 A N E > -B 122 0A 43 3,-2.1 3,-0.8 -2,-0.3 37,-0.1 -0.771 57.1 -88.7-122.4-176.8 16.3 31.7 72.1 120 336 A K T 3 S+ 0 0 131 -2,-0.3 3,-0.1 1,-0.2 36,-0.1 0.666 125.3 50.3 -66.8 -13.0 14.3 29.2 74.2 121 337 A D T 3 S- 0 0 90 1,-0.2 13,-2.9 13,-0.1 14,-0.5 0.648 120.3 -48.0 -99.3 -19.7 13.9 27.0 71.1 122 338 A G E < -BC 119 133A 0 -3,-0.8 -3,-2.1 11,-0.3 2,-0.4 -0.993 53.5 -87.3 171.7-168.8 17.4 26.6 69.9 123 339 A V E -BC 118 132A 3 9,-2.4 9,-2.5 -2,-0.3 2,-0.3 -0.985 27.1-117.2-140.5 139.9 20.8 28.1 68.9 124 340 A L E - C 0 131A 4 -7,-2.2 2,-0.3 -2,-0.4 7,-0.3 -0.544 37.3-179.3 -71.9 133.0 22.5 29.6 65.8 125 341 A I E >> + C 0 130A 39 5,-2.2 5,-2.1 -2,-0.3 4,-0.7 -0.859 51.4 30.5-128.9 165.7 25.5 27.7 64.6 126 342 A S T >45S- 0 0 45 -2,-0.3 3,-2.0 1,-0.2 -1,-0.2 0.941 136.1 -42.8 51.0 63.0 28.0 28.1 61.8 127 343 A E T 345S- 0 0 162 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.719 111.3 -58.3 60.7 23.6 28.0 31.9 61.6 128 344 A G T 345S+ 0 0 7 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.593 112.6 118.6 82.2 11.6 24.2 31.9 61.9 129 345 A Q T <<5S+ 0 0 81 -3,-2.0 -87,-2.6 -4,-0.7 2,-0.3 0.601 75.2 39.1 -83.3 -12.6 23.8 29.7 58.8 130 346 A G E < -aC 42 125A 0 -5,-2.1 -5,-2.2 -89,-0.3 2,-0.4 -0.919 63.2-153.5-134.2 159.7 22.2 27.0 60.9 131 347 A F E -aC 43 124A 34 -89,-2.8 -87,-2.2 -2,-0.3 2,-0.5 -0.920 11.9-162.3-136.4 107.1 19.8 26.7 63.8 132 348 A M E -aC 44 123A 14 -9,-2.5 -9,-2.4 -2,-0.4 -87,-0.2 -0.794 24.8-120.6 -90.9 126.6 20.0 23.6 66.0 133 349 A T E > - C 0 122A 25 -89,-2.4 4,-2.1 -2,-0.5 -11,-0.3 -0.340 2.9-135.9 -73.7 146.5 16.9 22.9 68.1 134 350 A R H > S+ 0 0 43 -13,-2.9 4,-2.3 1,-0.2 -12,-0.2 0.882 107.8 54.9 -61.2 -40.2 17.0 22.7 71.9 135 351 A E H > S+ 0 0 159 -14,-0.5 4,-0.9 2,-0.2 -1,-0.2 0.897 106.9 49.7 -61.5 -43.2 14.8 19.6 71.8 136 352 A F H >4 S+ 0 0 14 2,-0.2 3,-0.7 1,-0.2 4,-0.4 0.929 111.0 48.8 -61.4 -47.7 17.3 17.8 69.5 137 353 A L H >< S+ 0 0 9 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.914 109.5 52.9 -60.6 -41.8 20.2 18.6 71.7 138 354 A K H 3< S+ 0 0 112 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.708 102.0 60.5 -67.1 -20.6 18.4 17.4 74.8 139 355 A S T << S+ 0 0 83 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.521 76.2 119.6 -85.0 -5.9 17.6 14.1 73.0 140 356 A L S < >S- 0 0 12 -3,-1.4 5,-0.7 -4,-0.4 -3,-0.0 -0.314 83.8 -79.6 -62.4 142.4 21.3 13.3 72.7 141 357 A R T >>5 - 0 0 96 3,-0.2 3,-1.7 4,-0.1 4,-1.0 -0.093 67.6 -75.8 -51.0 143.6 22.2 10.0 74.4 142 358 A K H 3>5S+ 0 0 172 1,-0.3 4,-0.6 2,-0.2 3,-0.3 0.432 126.8 38.7 -10.4 -73.7 22.7 10.5 78.2 143 359 A P H >45S+ 0 0 19 0, 0.0 3,-1.0 0, 0.0 -1,-0.3 0.919 121.0 44.0 -55.2 -46.4 26.1 12.2 78.6 144 360 A F H X45S+ 0 0 10 -3,-1.7 3,-1.1 1,-0.3 4,-0.5 0.784 103.3 61.9 -75.9 -29.9 25.7 14.5 75.5 145 361 A G H 3<> S+ 0 0 31 -4,-0.5 4,-1.8 1,-0.2 3,-1.2 0.803 100.3 78.3 -83.2 -30.5 23.7 22.4 76.3 149 365 A E H 3> S+ 0 0 33 -4,-0.4 4,-2.4 1,-0.3 5,-0.2 0.869 91.1 52.8 -51.6 -48.4 20.5 22.6 78.4 150 366 A P H 3> S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.815 109.2 52.8 -55.0 -31.5 22.1 24.5 81.4 151 367 A K H <> S+ 0 0 10 -3,-1.2 4,-3.2 -4,-0.3 -2,-0.2 0.895 107.3 50.1 -73.4 -40.7 23.3 27.1 78.9 152 368 A F H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.923 109.9 51.2 -56.9 -45.1 19.8 27.5 77.4 153 369 A E H X S+ 0 0 102 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.925 114.1 43.6 -64.1 -44.7 18.4 27.9 81.0 154 370 A F H X S+ 0 0 14 -4,-2.0 4,-2.9 -5,-0.2 3,-0.3 0.948 112.5 53.6 -58.2 -50.6 21.0 30.6 81.7 155 371 A A H X S+ 0 0 1 -4,-3.2 4,-3.3 1,-0.2 5,-0.2 0.859 103.5 55.7 -58.3 -39.5 20.4 32.3 78.2 156 372 A V H X S+ 0 0 63 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.925 115.0 38.2 -61.8 -43.6 16.7 32.6 78.7 157 373 A K H < S+ 0 0 133 -4,-1.3 4,-0.3 -3,-0.3 -2,-0.2 0.873 117.9 49.6 -73.5 -39.5 17.1 34.6 81.9 158 374 A F H >< S+ 0 0 1 -4,-2.9 3,-2.1 1,-0.2 5,-0.3 0.932 107.3 54.3 -66.2 -44.6 20.2 36.5 80.7 159 375 A N H >< S+ 0 0 24 -4,-3.3 3,-1.9 1,-0.3 -1,-0.2 0.779 93.8 71.3 -62.1 -25.5 18.4 37.5 77.5 160 376 A A T 3< S+ 0 0 73 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.682 86.6 66.3 -64.3 -16.4 15.6 38.9 79.5 161 377 A L T < S- 0 0 21 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.583 97.2-143.8 -78.4 -11.7 18.0 41.7 80.5 162 378 A E < + 0 0 140 -3,-1.9 2,-0.1 -4,-0.2 -3,-0.1 0.870 30.5 174.6 51.5 46.4 18.0 42.9 76.9 163 379 A L - 0 0 5 -5,-0.3 2,-0.2 4,-0.1 -1,-0.1 -0.489 17.4-145.3 -76.7 152.8 21.7 44.0 76.8 164 380 A D > - 0 0 58 -2,-0.1 4,-2.8 1,-0.0 5,-0.2 -0.588 34.0 -89.5-109.4 178.9 23.1 45.1 73.4 165 381 A D H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.841 126.8 55.5 -56.5 -34.1 26.6 44.6 72.0 166 382 A S H > S+ 0 0 27 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.935 110.9 43.2 -67.0 -44.7 27.7 47.9 73.6 167 383 A D H >> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.942 114.4 52.3 -57.9 -48.7 26.7 46.7 77.0 168 384 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.809 98.7 63.3 -63.4 -34.7 28.2 43.3 76.4 169 385 A A H 3X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.922 110.5 38.6 -54.6 -47.0 31.5 44.6 75.3 170 386 A I H < S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.886 110.4 50.9 -63.4 -42.4 34.7 39.2 83.5 176 392 A I H 3< S+ 0 0 1 -4,-2.3 2,-1.3 1,-0.3 -1,-0.2 0.913 104.7 58.1 -61.7 -41.7 38.1 38.8 81.9 177 393 A L T 3< S+ 0 0 0 -4,-2.3 2,-0.7 -5,-0.2 -1,-0.3 -0.285 73.7 148.5 -88.6 52.1 39.7 41.3 84.4 178 394 A S X - 0 0 1 -2,-1.3 3,-1.1 -3,-0.6 13,-0.1 -0.784 35.1-160.6 -90.8 118.0 38.7 39.3 87.5 179 395 A G T 3 S+ 0 0 4 -2,-0.7 -1,-0.1 1,-0.2 12,-0.1 0.491 81.9 66.1 -77.2 -2.8 41.2 39.7 90.3 180 396 A D T 3 + 0 0 93 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.297 64.8 131.5-105.1 10.8 40.2 36.5 92.2 181 397 A R X - 0 0 7 -3,-1.1 3,-1.3 1,-0.1 2,-0.1 -0.381 69.7-100.2 -57.3 136.8 41.2 34.0 89.6 182 398 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 79,-0.1 -0.387 102.7 19.3 -59.0 131.6 43.3 31.2 91.3 183 399 A G T 3 S+ 0 0 54 1,-0.3 83,-0.1 -2,-0.1 2,-0.1 0.540 77.0 157.3 90.3 6.8 47.0 31.6 90.9 184 400 A L < - 0 0 25 -3,-1.3 -1,-0.3 1,-0.1 3,-0.2 -0.412 30.6-155.3 -64.6 139.1 47.3 35.3 89.9 185 401 A L S S+ 0 0 102 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.826 82.0 20.2 -86.2 -33.7 50.7 36.7 90.7 186 402 A N > + 0 0 88 1,-0.1 4,-0.6 -92,-0.1 -1,-0.2 -0.768 62.3 174.4-145.9 91.1 49.8 40.4 91.1 187 403 A V H >> + 0 0 52 -2,-0.3 4,-2.6 -3,-0.2 3,-0.6 0.849 66.7 72.8 -72.9 -37.0 46.1 41.1 91.8 188 404 A K H 3> S+ 0 0 133 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.867 97.5 46.4 -50.1 -50.3 46.3 44.9 92.4 189 405 A P H 3> S+ 0 0 40 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.838 114.2 50.5 -62.3 -32.9 46.8 46.0 88.7 190 406 A I H < + 0 0 13 -4,-1.7 3,-1.5 -5,-0.3 -1,-0.2 -0.434 58.0 156.9-135.9 64.4 18.8 51.4 79.9 210 426 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.736 79.9 57.4 -56.5 -21.2 17.1 54.2 81.8 211 427 A E T 3 S+ 0 0 124 1,-0.2 2,-1.2 -3,-0.1 -5,-0.1 0.664 88.1 79.0 -86.0 -20.6 14.1 51.8 82.2 212 428 A S X - 0 0 35 -3,-1.5 3,-1.5 -7,-0.2 4,-0.3 -0.717 68.3-161.5 -97.4 88.1 16.0 49.0 83.9 213 429 A S T 3 S+ 0 0 89 -2,-1.2 -2,-0.1 1,-0.3 -7,-0.0 -0.467 79.1 8.1 -62.6 137.2 16.3 50.0 87.5 214 430 A Q T 3> S+ 0 0 125 -2,-0.1 4,-2.5 1,-0.1 -1,-0.3 0.657 82.2 140.7 64.5 20.1 19.1 48.0 89.2 215 431 A L H <> S+ 0 0 6 -3,-1.5 4,-3.2 2,-0.2 5,-0.2 0.903 70.8 55.0 -56.8 -44.9 20.3 46.4 85.9 216 432 A F H > S+ 0 0 44 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.962 109.7 47.0 -51.7 -52.5 23.9 46.8 87.0 217 433 A A H > S+ 0 0 31 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.895 113.6 48.0 -56.7 -43.1 23.0 44.8 90.2 218 434 A K H X S+ 0 0 94 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.914 112.3 48.5 -65.0 -43.1 21.2 42.2 88.1 219 435 A L H >X S+ 0 0 0 -4,-3.2 4,-0.8 1,-0.2 3,-0.7 0.885 105.9 57.5 -67.1 -40.7 24.0 41.8 85.6 220 436 A L H >X S+ 0 0 57 -4,-2.7 3,-0.7 -5,-0.2 4,-0.7 0.861 101.4 56.8 -55.1 -39.6 26.6 41.5 88.4 221 437 A Q H 3X S+ 0 0 129 -4,-1.4 4,-1.1 1,-0.2 3,-0.4 0.790 99.3 61.1 -64.5 -26.7 24.7 38.5 89.8 222 438 A K H > - 0 0 72 -2,-0.2 4,-2.6 1,-0.1 3,-0.7 -0.386 39.7-113.4 -58.7 140.1 41.5 19.8 71.1 251 467 A P H 3> S+ 0 0 74 0, 0.0 4,-1.7 0, 0.0 21,-0.1 0.746 116.4 54.1 -53.3 -30.1 45.0 20.7 72.5 252 468 A L H 3> S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.891 111.0 45.2 -71.9 -40.1 43.9 24.3 73.3 253 469 A L H <> S+ 0 0 7 -3,-0.7 4,-2.7 1,-0.2 5,-0.2 0.906 110.4 56.2 -66.3 -41.4 40.9 23.1 75.2 254 470 A Q H X S+ 0 0 113 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.877 108.8 45.2 -58.2 -41.1 43.1 20.6 77.0 255 471 A E H < S+ 0 0 18 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.875 112.1 52.7 -75.3 -33.3 45.5 23.2 78.2 256 472 A I H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.940 115.4 39.7 -61.6 -48.2 42.7 25.5 79.3 257 473 A Y H >< S+ 0 0 39 -4,-2.7 3,-1.8 -5,-0.1 2,-0.3 0.715 89.9 105.8 -77.4 -21.8 41.0 22.7 81.4 258 474 A K T 3< S- 0 0 125 -4,-1.5 3,-0.1 1,-0.3 -4,-0.0 -0.444 102.7 -8.1 -63.8 121.1 44.3 21.2 82.8 259 475 A D T 3 S+ 0 0 93 -2,-0.3 2,-0.7 1,-0.2 -1,-0.3 0.795 88.2 161.7 60.0 28.9 44.6 22.2 86.5 260 476 A L < 0 0 24 -3,-1.8 -1,-0.2 1,-0.3 -3,-0.0 -0.751 360.0 360.0 -76.0 113.1 41.6 24.5 86.1 261 477 A Y 0 0 149 -2,-0.7 -1,-0.3 -3,-0.1 -2,-0.1 0.779 360.0 360.0 60.1 360.0 40.6 25.0 89.8 262 !* 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 0.0 263 680 P H 0 0 248 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 83.2 59.1 25.6 88.8 264 681 P S - 0 0 71 3,-0.0 5,-0.0 4,-0.0 0, 0.0 -0.839 360.0-143.2-101.5 120.1 56.9 25.9 85.7 265 682 P S > - 0 0 33 -2,-0.6 4,-1.7 1,-0.1 5,-0.1 -0.109 28.8-101.9 -71.2 169.5 55.3 29.3 85.0 266 683 P L H > S+ 0 0 14 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.935 124.3 51.6 -55.8 -48.0 51.8 29.8 83.5 267 684 P T H >4 S+ 0 0 16 1,-0.2 3,-0.9 2,-0.2 7,-0.3 0.898 106.6 55.3 -58.4 -41.2 53.3 30.6 80.1 268 685 P E H 34 S+ 0 0 113 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.857 112.8 40.1 -59.9 -39.6 55.3 27.4 80.3 269 686 P R H 3< S+ 0 0 97 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.344 114.6 53.3 -96.9 10.9 52.2 25.2 80.8 270 687 P H S+ 0 0 149 -3,-0.3 4,-2.3 1,-0.2 5,-0.1 0.882 74.2 47.1 -60.5 -43.4 51.9 27.0 75.1 272 689 P I H > S+ 0 0 32 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.933 113.9 46.6 -67.0 -46.1 49.0 27.8 72.8 273 690 P L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.920 112.2 51.0 -60.1 -47.5 47.6 30.6 74.9 274 691 P H H X S+ 0 0 60 -4,-2.7 4,-1.0 -7,-0.3 -1,-0.2 0.916 112.2 47.7 -52.7 -45.6 51.1 32.1 75.3 275 692 P R H >< S+ 0 0 153 -4,-2.3 3,-0.8 -5,-0.2 -2,-0.2 0.928 110.3 51.1 -64.7 -45.1 51.4 31.9 71.5 276 693 P L H 3< S+ 0 0 44 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.853 107.3 54.7 -57.7 -37.1 48.0 33.4 71.0 277 694 P L H 3< 0 0 16 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.733 360.0 360.0 -71.5 -22.2 49.0 36.3 73.3 278 695 P Q << 0 0 164 -4,-1.0 -2,-0.2 -3,-0.8 -3,-0.1 0.937 360.0 360.0 -85.5 360.0 52.1 37.0 71.2