==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/TRANSCRIPTION ACTIVATOR 04-JUN-08 3DCT . COMPND 2 MOLECULE: BILE ACID RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.P.WILLIAMS,K.P.MADAUSS . 240 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 57.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 2 0 1 0 1 1 0 0 1 0 1 1 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 244 A E 0 0 131 0, 0.0 2,-0.3 0, 0.0 174,-0.0 0.000 360.0 360.0 360.0 125.0 131.5 58.7 64.3 2 245 A L - 0 0 53 1,-0.1 169,-0.0 4,-0.0 173,-0.0 -0.617 360.0-125.9 -83.0 137.1 133.2 57.5 67.5 3 246 A T > - 0 0 52 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.223 14.5-119.0 -76.8 168.8 133.9 60.2 70.1 4 247 A P H > S+ 0 0 113 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.860 115.6 52.8 -76.5 -34.7 137.4 60.9 71.7 5 248 A D H 4 S+ 0 0 133 1,-0.2 4,-0.4 2,-0.2 -3,-0.0 0.697 117.3 40.0 -72.9 -16.4 136.2 60.2 75.1 6 249 A Q H > S+ 0 0 47 2,-0.2 4,-2.2 3,-0.1 3,-0.4 0.795 105.9 60.6 -99.1 -37.0 134.9 56.9 73.8 7 250 A Q H X S+ 0 0 39 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.693 104.7 53.9 -64.4 -18.0 137.7 55.9 71.5 8 251 A T H X S+ 0 0 89 -4,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.820 106.4 50.2 -83.7 -35.0 140.0 55.9 74.6 9 252 A L H > S+ 0 0 28 -3,-0.4 4,-3.0 -4,-0.4 5,-0.3 0.972 111.5 47.8 -64.5 -58.3 137.7 53.5 76.5 10 253 A L H X S+ 0 0 16 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.858 113.7 49.6 -52.5 -36.9 137.6 51.1 73.6 11 254 A H H X S+ 0 0 139 -4,-0.9 4,-1.8 -5,-0.2 -1,-0.2 0.938 110.6 47.1 -71.2 -45.0 141.4 51.4 73.3 12 255 A F H X S+ 0 0 50 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.921 118.3 43.4 -60.0 -44.8 142.1 50.8 77.0 13 256 A I H X S+ 0 0 3 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.892 113.3 49.5 -68.4 -43.1 139.7 47.8 77.0 14 257 A M H X S+ 0 0 20 -4,-2.6 4,-0.9 -5,-0.3 -1,-0.2 0.796 110.3 55.1 -65.8 -27.2 141.0 46.4 73.7 15 258 A D H >< S+ 0 0 113 -4,-1.8 3,-0.7 -5,-0.2 4,-0.5 0.968 109.7 42.5 -69.8 -53.2 144.4 46.8 75.2 16 259 A S H >X S+ 0 0 19 -4,-2.2 4,-0.7 1,-0.2 3,-0.7 0.823 108.7 60.3 -61.7 -35.1 143.7 44.7 78.3 17 260 A Y H 3< S+ 0 0 30 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.810 112.9 37.9 -63.4 -30.8 141.9 42.1 76.3 18 261 A N T << S+ 0 0 87 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.408 95.1 88.6-101.2 0.3 145.1 41.5 74.3 19 262 A K T <4 S+ 0 0 64 -3,-0.7 2,-0.3 -4,-0.5 -2,-0.1 0.996 93.7 26.5 -60.4 -67.9 147.5 41.9 77.2 20 263 A Q < - 0 0 36 -4,-0.7 2,-0.2 34,-0.1 -1,-0.1 -0.698 64.9-176.4-100.8 151.1 147.5 38.3 78.4 21 264 A R - 0 0 75 -2,-0.3 3,-0.0 -3,-0.0 -3,-0.0 -0.704 42.9 -79.5-128.5 179.0 146.9 35.1 76.4 22 265 A M - 0 0 51 -2,-0.2 25,-0.0 1,-0.1 5,-0.0 -0.743 58.0 -95.6 -89.5 138.9 146.7 31.4 77.6 23 266 A P >> - 0 0 53 0, 0.0 4,-2.5 0, 0.0 3,-0.6 -0.146 18.5-135.5 -50.6 136.6 150.2 29.7 78.1 24 267 A Q H 3> S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.825 105.9 66.4 -65.1 -29.4 151.5 27.6 75.2 25 268 A E H 34 S+ 0 0 76 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.895 110.5 35.7 -56.3 -40.5 152.5 25.0 77.9 26 269 A I H X4 S+ 0 0 13 -3,-0.6 3,-1.3 2,-0.1 4,-0.4 0.940 117.9 48.2 -78.6 -52.6 148.7 24.6 78.5 27 270 A T H >< S+ 0 0 12 -4,-2.5 3,-0.7 1,-0.3 4,-0.4 0.727 101.4 65.1 -64.5 -23.6 147.4 25.0 74.9 28 271 A N T >X S+ 0 0 85 -4,-2.4 4,-2.8 1,-0.2 3,-0.7 0.743 91.4 66.5 -70.4 -21.8 150.0 22.6 73.4 29 272 A K H <> S+ 0 0 59 -3,-1.3 4,-1.1 -4,-0.3 -1,-0.2 0.783 84.1 69.3 -69.5 -28.9 148.4 19.8 75.4 30 273 A I H <4 S+ 0 0 0 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.832 116.6 27.7 -56.4 -30.5 145.1 20.0 73.4 31 274 A L H <4 S+ 0 0 90 -3,-0.7 -2,-0.2 -4,-0.4 -1,-0.2 0.889 126.2 40.7 -94.1 -58.7 147.3 18.6 70.6 32 275 A K H < S+ 0 0 79 -4,-2.8 -3,-0.2 2,-0.0 -2,-0.1 0.913 95.0 85.1 -64.3 -49.1 150.1 16.6 72.2 33 276 A E S < S- 0 0 77 -4,-1.1 2,-0.1 -5,-0.2 7,-0.0 0.069 86.8 -89.7 -58.9 165.6 148.3 14.7 75.1 34 277 A E - 0 0 65 1,-0.1 2,-1.2 2,-0.0 -1,-0.1 -0.385 37.7-118.5 -70.6 150.3 146.4 11.4 75.0 35 278 A F + 0 0 95 4,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.702 59.1 140.3 -96.8 87.8 142.7 11.6 74.2 36 279 A S > - 0 0 58 -2,-1.2 4,-3.7 1,-0.1 5,-0.3 -0.927 64.7-118.8-126.2 149.9 141.1 10.1 77.3 37 280 A A H > S+ 0 0 44 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.861 120.0 45.5 -53.5 -33.2 138.0 11.1 79.3 38 281 A E H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.1 5,-0.2 0.984 115.7 41.7 -73.6 -61.5 140.5 11.7 82.2 39 282 A E H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.849 115.0 54.6 -55.1 -36.1 143.2 13.6 80.3 40 283 A N H X S+ 0 0 3 -4,-3.7 4,-2.3 2,-0.2 -1,-0.2 0.956 109.0 45.6 -63.3 -52.6 140.5 15.5 78.5 41 284 A F H X S+ 0 0 14 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.898 112.5 52.0 -58.1 -42.4 138.8 16.7 81.7 42 285 A L H X S+ 0 0 47 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.876 109.6 48.1 -65.4 -37.9 142.1 17.6 83.3 43 286 A I H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.929 112.0 49.7 -68.2 -41.7 143.2 19.7 80.3 44 287 A L H X S+ 0 0 38 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.861 111.7 49.9 -62.6 -36.1 139.8 21.5 80.3 45 288 A T H X S+ 0 0 17 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.958 109.3 50.6 -67.2 -49.4 140.2 22.1 84.1 46 289 A E H X S+ 0 0 62 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.857 111.0 48.7 -56.4 -39.5 143.7 23.5 83.6 47 290 A M H X S+ 0 0 26 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.905 111.7 48.8 -69.9 -40.8 142.5 25.9 80.9 48 291 A A H X S+ 0 0 19 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.897 111.0 49.0 -67.3 -39.9 139.6 27.1 83.0 49 292 A T H X S+ 0 0 23 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.922 113.2 48.5 -63.1 -44.7 141.7 27.7 86.1 50 293 A N H X S+ 0 0 26 -4,-1.9 4,-1.7 -5,-0.3 3,-0.4 0.923 110.7 50.3 -61.5 -43.8 144.2 29.6 84.1 51 294 A H H X S+ 0 0 27 -4,-2.5 4,-2.7 1,-0.3 -1,-0.2 0.793 100.1 62.7 -66.8 -28.5 141.5 31.7 82.5 52 295 A V H X S+ 0 0 2 -4,-1.8 4,-1.6 1,-0.2 -1,-0.3 0.898 105.1 51.4 -61.5 -34.8 139.9 32.5 85.8 53 296 A Q H X S+ 0 0 88 -4,-1.2 4,-2.1 -3,-0.4 3,-0.3 0.953 109.6 45.1 -65.7 -51.6 143.3 34.2 86.3 54 297 A V H X S+ 0 0 29 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.866 110.0 59.0 -61.2 -34.8 143.3 36.2 83.1 55 298 A L H X S+ 0 0 10 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.861 106.2 45.6 -61.1 -41.1 139.6 37.1 83.9 56 299 A V H X S+ 0 0 5 -4,-1.6 4,-3.3 -3,-0.3 5,-0.2 0.942 113.8 49.1 -68.1 -48.6 140.5 38.8 87.2 57 300 A E H X S+ 0 0 109 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.911 115.9 44.0 -55.9 -44.9 143.4 40.6 85.7 58 301 A F H < S+ 0 0 12 -4,-2.7 3,-0.3 -5,-0.2 4,-0.3 0.958 115.5 46.6 -65.7 -51.8 141.2 41.8 82.8 59 302 A T H >< S+ 0 0 0 -4,-2.9 3,-2.6 1,-0.2 6,-0.2 0.920 106.1 58.1 -58.3 -47.3 138.3 42.7 85.0 60 303 A K H 3< S+ 0 0 16 -4,-3.3 6,-0.5 1,-0.3 -1,-0.2 0.895 105.6 52.2 -51.0 -40.3 140.4 44.6 87.5 61 304 A K T 3< S+ 0 0 113 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.496 82.9 115.6 -75.3 -4.7 141.6 46.8 84.6 62 305 A L S X S- 0 0 5 -3,-2.6 3,-2.1 -4,-0.3 4,-0.5 -0.522 84.9 -94.7 -68.2 131.2 138.0 47.5 83.6 63 306 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.269 104.8 0.5 -50.7 108.9 137.2 51.3 84.1 64 307 A G T 3 S+ 0 0 37 -2,-0.2 4,-0.3 -4,-0.1 3,-0.1 0.384 94.6 115.3 93.7 -3.6 135.7 51.9 87.5 65 308 A F X + 0 0 1 -3,-2.1 2,-2.5 1,-0.2 3,-2.2 0.957 69.2 60.6 -63.3 -52.9 135.7 48.3 88.7 66 309 A Q T 3 S+ 0 0 135 -6,-0.5 -1,-0.2 -4,-0.5 -2,-0.1 -0.513 100.4 56.7 -76.6 76.3 138.2 48.9 91.5 67 310 A T T 3 S+ 0 0 88 -2,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.105 84.2 99.4-174.0 -22.6 135.9 51.4 93.2 68 311 A L S < S- 0 0 14 -3,-2.2 -1,-0.2 -4,-0.3 5,-0.1 -0.347 94.6 -74.0 -76.6 158.3 132.8 49.2 93.6 69 312 A D >> - 0 0 66 1,-0.2 4,-1.5 88,-0.1 3,-1.2 -0.281 43.9-129.4 -52.2 133.7 132.0 47.5 96.9 70 313 A H H 3> S+ 0 0 126 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.736 109.3 54.8 -62.4 -22.5 134.6 44.7 97.3 71 314 A E H 3> S+ 0 0 47 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.696 106.6 52.7 -81.1 -20.9 131.8 42.2 98.0 72 315 A D H <> S+ 0 0 2 -3,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.769 102.6 58.5 -80.9 -31.3 130.2 43.2 94.7 73 316 A Q H X S+ 0 0 7 -4,-1.5 4,-2.0 2,-0.2 5,-0.2 0.917 106.3 47.8 -65.5 -42.5 133.4 42.6 92.8 74 317 A I H X S+ 0 0 21 -4,-1.2 4,-3.2 1,-0.2 5,-0.3 0.920 110.4 52.3 -63.7 -42.2 133.4 39.0 94.0 75 318 A A H X S+ 0 0 12 -4,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.855 111.0 47.3 -62.1 -35.4 129.7 38.6 93.0 76 319 A L H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.866 115.6 44.2 -73.6 -37.5 130.5 40.0 89.5 77 320 A L H X S+ 0 0 7 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.887 116.3 47.2 -71.7 -42.5 133.6 37.7 89.1 78 321 A K H < S+ 0 0 42 -4,-3.2 4,-0.3 1,-0.2 -2,-0.2 0.814 115.0 47.3 -69.6 -31.9 131.7 34.7 90.5 79 322 A G H < S+ 0 0 19 -4,-1.6 4,-0.3 -5,-0.3 -1,-0.2 0.679 117.2 37.8 -86.2 -18.0 128.7 35.4 88.2 80 323 A S H X S+ 0 0 1 -4,-1.2 4,-3.6 -3,-0.1 5,-0.4 0.619 85.2 94.3-108.6 -13.7 130.4 36.0 84.9 81 324 A A H X S+ 0 0 1 -4,-1.4 4,-1.6 1,-0.2 -2,-0.1 0.857 91.4 43.2 -44.7 -50.6 133.2 33.4 84.9 82 325 A V H > S+ 0 0 7 -4,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.923 117.7 45.6 -66.1 -43.5 131.2 30.7 83.1 83 326 A E H > S+ 0 0 0 -4,-0.3 4,-2.0 2,-0.2 3,-0.3 0.906 111.3 51.2 -66.0 -42.2 129.8 33.2 80.6 84 327 A A H X S+ 0 0 2 -4,-3.6 4,-2.1 1,-0.2 -1,-0.2 0.860 110.3 52.6 -61.0 -34.3 133.2 34.9 80.0 85 328 A M H X S+ 0 0 30 -4,-1.6 4,-1.8 -5,-0.4 -1,-0.2 0.767 106.1 51.4 -72.4 -29.6 134.5 31.4 79.4 86 329 A F H X S+ 0 0 18 -4,-1.3 4,-2.6 -3,-0.3 -2,-0.2 0.857 111.2 49.1 -73.6 -37.5 131.8 30.6 76.8 87 330 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.910 112.3 46.8 -67.2 -44.7 132.7 33.8 74.9 88 331 A R H X S+ 0 0 77 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.897 116.1 44.2 -65.6 -42.2 136.4 33.0 75.0 89 332 A S H X S+ 0 0 23 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.926 112.7 51.7 -67.4 -45.5 135.9 29.4 73.8 90 333 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.904 109.3 51.6 -57.6 -40.6 133.4 30.5 71.1 91 334 A E H X S+ 0 0 17 -4,-2.2 4,-2.8 1,-0.2 6,-0.3 0.927 109.3 51.4 -61.2 -43.0 135.9 33.0 70.0 92 335 A I H <>S+ 0 0 28 -4,-1.9 5,-1.6 2,-0.2 -2,-0.2 0.924 115.6 38.3 -58.3 -51.3 138.5 30.2 69.8 93 336 A F H ><5S+ 0 0 29 -4,-2.6 3,-1.0 3,-0.2 -1,-0.2 0.905 117.5 52.4 -66.3 -43.8 136.3 27.9 67.7 94 337 A N H 3<5S+ 0 0 48 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.865 114.5 38.5 -62.1 -44.2 134.9 30.8 65.6 95 338 A K T 3<5S- 0 0 70 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.243 102.2-129.6 -93.5 15.4 138.2 32.3 64.6 96 339 A K T < 5 - 0 0 73 -3,-1.0 -3,-0.2 1,-0.2 -4,-0.1 0.859 34.4-158.8 36.6 45.8 139.8 28.9 64.2 97 340 A L > X - 0 0 25 -5,-1.6 3,-1.6 -6,-0.3 5,-0.6 -0.330 14.8-135.4 -56.6 129.9 142.6 30.2 66.4 98 341 A P G > 5S+ 0 0 116 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.877 104.9 50.3 -52.7 -51.7 145.9 28.2 65.9 99 342 A S G 3 5S+ 0 0 56 1,-0.2 -69,-0.1 2,-0.1 -2,-0.1 0.322 105.0 64.5 -73.8 8.2 146.7 27.9 69.6 100 343 A G G < 5S- 0 0 3 -3,-1.6 -1,-0.2 -8,-0.1 5,-0.2 0.636 81.9-156.8-104.5 -18.6 143.1 26.7 70.0 101 344 A H T X>5 - 0 0 44 -3,-1.2 4,-3.0 -4,-0.5 3,-1.0 0.861 16.4-167.6 38.0 50.7 143.4 23.4 68.0 102 345 A S H 3> S+ 0 0 131 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.887 119.1 39.3 -54.1 -44.1 138.9 20.2 66.2 104 347 A L H <> S+ 0 0 54 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.833 114.5 53.8 -74.8 -35.3 140.9 18.5 68.9 105 348 A L H X S+ 0 0 9 -4,-3.0 4,-1.9 -5,-0.2 -2,-0.2 0.926 108.6 49.6 -63.8 -43.9 139.7 20.9 71.5 106 349 A E H X S+ 0 0 58 -4,-3.4 4,-2.5 -5,-0.3 -1,-0.2 0.851 108.0 55.6 -62.7 -33.9 136.1 20.0 70.5 107 350 A E H X S+ 0 0 110 -4,-1.2 4,-1.0 -5,-0.3 -2,-0.2 0.965 107.6 47.9 -59.9 -53.3 137.2 16.4 70.8 108 351 A R H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.826 114.7 45.2 -57.9 -35.8 138.3 16.9 74.4 109 352 A I H >< S+ 0 0 17 -4,-1.9 3,-0.6 1,-0.2 5,-0.3 0.854 107.5 58.4 -77.3 -35.2 135.1 18.7 75.3 110 353 A R H 3< S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.676 116.8 35.5 -65.7 -20.0 132.9 16.1 73.5 111 354 A N T 3< S+ 0 0 83 -4,-1.0 -1,-0.3 -3,-0.2 -71,-0.2 -0.626 83.6 98.7-136.8 76.7 134.5 13.5 75.8 112 355 A S S < S- 0 0 1 -3,-0.6 -1,-0.1 -2,-0.2 -2,-0.1 0.263 105.2 -81.0-141.3 6.6 135.1 14.8 79.3 113 356 A G S S+ 0 0 44 1,-0.3 2,-0.4 -3,-0.1 -3,-0.1 0.588 80.8 147.6 99.7 13.7 132.1 13.6 81.2 114 357 A I - 0 0 29 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.712 51.4-114.4 -86.8 129.5 129.7 16.3 80.0 115 358 A S >> - 0 0 49 -2,-0.4 4,-1.7 1,-0.1 3,-1.7 -0.269 17.1-126.7 -60.7 142.6 126.1 15.2 79.6 116 359 A D H 3> S+ 0 0 113 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.815 109.0 68.9 -60.6 -31.4 124.7 15.3 76.0 117 360 A E H 34 S+ 0 0 146 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.756 110.4 35.8 -58.2 -22.3 121.9 17.5 77.2 118 361 A Y H <> S+ 0 0 54 -3,-1.7 4,-1.5 2,-0.1 -2,-0.2 0.772 110.5 57.5-102.1 -35.2 124.6 20.1 77.7 119 362 A I H X S+ 0 0 6 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.879 102.6 56.2 -65.0 -42.5 127.0 19.5 74.8 120 363 A T H X S+ 0 0 88 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.959 111.1 41.3 -55.2 -57.5 124.3 20.0 72.2 121 364 A P H > S+ 0 0 54 0, 0.0 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414 A V H X S+ 0 0 1 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.900 111.3 49.9 -65.0 -38.9 130.4 52.1 72.4 172 415 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.913 113.8 44.8 -64.4 -43.1 129.3 48.7 71.1 173 416 A Q H X S+ 0 0 65 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.888 107.8 56.9 -67.5 -42.0 126.2 50.2 69.6 174 417 A K H X S+ 0 0 22 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.839 109.6 48.1 -57.7 -33.5 128.1 53.1 68.1 175 418 A L H X S+ 0 0 9 -4,-1.4 4,-2.9 1,-0.2 5,-0.3 0.838 105.8 55.2 -75.4 -37.9 130.2 50.5 66.3 176 419 A C H < S+ 0 0 7 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.715 107.7 51.5 -68.4 -21.3 127.3 48.5 65.0 177 420 A K H < S+ 0 0 139 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.794 117.2 39.7 -84.2 -29.0 126.0 51.7 63.5 178 421 A I H < S+ 0 0 65 -4,-0.9 -2,-0.2 -5,-0.2 -3,-0.1 0.963 124.0 31.6 -82.5 -60.6 129.3 52.4 61.8 179 422 A H S < S+ 0 0 133 -4,-2.9 -3,-0.2 1,-0.2 -1,-0.1 0.379 130.9 34.7 -84.3 6.6 130.5 49.0 60.6 180 423 A Q + 0 0 62 -4,-0.3 3,-0.3 -5,-0.3 6,-0.2 -0.064 63.7 143.3-149.5 38.5 127.1 47.5 60.0 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191 434 A L H >X S+ 0 0 52 -4,-2.0 3,-0.7 1,-0.3 4,-0.5 0.712 96.1 68.7 -66.5 -24.3 122.9 41.5 73.1 192 435 A G H >X S+ 0 0 30 -4,-0.7 4,-2.0 1,-0.2 3,-0.8 0.777 89.1 64.8 -65.8 -25.6 120.8 38.4 72.6 193 436 A R H <> S+ 0 0 26 -3,-1.1 4,-3.3 -4,-0.5 -1,-0.2 0.818 91.3 63.8 -65.3 -31.7 123.9 36.4 73.4 194 437 A L H <> S+ 0 0 30 -3,-0.7 4,-1.0 -4,-0.4 -1,-0.2 0.777 107.0 43.3 -63.2 -27.3 123.9 37.8 76.9 195 438 A T H X S+ 0 0 0 -4,-3.3 3,-1.4 1,-0.2 4,-0.5 0.918 103.1 57.3 -57.0 -45.4 124.9 32.9 77.9 198 441 A R H >X S+ 0 0 76 -4,-1.0 3,-1.8 1,-0.3 4,-0.5 0.907 97.3 64.4 -50.7 -45.0 122.7 33.2 81.0 199 442 A T H 3X S+ 0 0 95 -4,-1.7 4,-0.8 1,-0.3 3,-0.5 0.761 94.0 59.7 -51.4 -32.1 121.0 30.0 80.1 200 443 A F H S+ 0 0 26 -4,-3.1 5,-2.0 1,-0.2 -2,-0.2 0.858 111.7 58.2 -60.5 -36.4 131.5 15.7 88.2 212 455 A R H ><5S+ 0 0 82 -4,-1.8 3,-1.5 -5,-0.3 -1,-0.2 0.898 103.2 47.5 -62.7 -46.4 131.7 16.2 91.9 213 456 A V H 3<5S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.733 107.1 60.8 -68.4 -20.3 129.9 13.1 93.0 214 457 A N T 3<5S- 0 0 106 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.146 121.1-112.4 -92.0 20.1 132.1 11.2 90.5 215 458 A D T < 5 + 0 0 141 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.882 54.4 174.5 51.8 46.5 135.0 12.4 92.5 216 459 A H < - 0 0 52 -5,-2.0 2,-0.5 -6,-0.1 -1,-0.2 -0.627 29.7-119.0 -86.8 141.7 136.3 14.7 89.8 217 460 A K + 0 0 73 -2,-0.3 2,-0.1 1,-0.0 -172,-0.1 -0.683 38.6 163.1 -86.7 126.4 139.2 16.9 90.5 218 461 A F - 0 0 36 -2,-0.5 -173,-0.0 -6,-0.0 -172,-0.0 -0.274 34.8 -99.9-115.8-157.7 138.9 20.7 90.3 219 462 A T > - 0 0 30 -2,-0.1 4,-3.2 1,-0.1 5,-0.3 -0.936 22.6-113.9-132.5 155.5 141.1 23.4 91.7 220 463 A P H > S+ 0 0 100 0, 0.0 4,-1.3 0, 0.0 14,-0.1 0.824 119.7 51.3 -53.7 -30.4 140.9 25.7 94.8 221 464 A L H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.924 113.6 41.6 -73.2 -44.2 140.4 28.6 92.4 222 465 A L H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.856 112.6 54.4 -72.4 -35.8 137.6 27.0 90.5 223 466 A C H <>S+ 0 0 25 -4,-3.2 5,-2.0 2,-0.2 -1,-0.2 0.849 111.3 46.1 -66.4 -34.2 135.9 25.6 93.6 224 467 A E H ><5S+ 0 0 29 -4,-1.3 3,-1.3 -5,-0.3 -2,-0.2 0.937 113.2 47.0 -72.3 -49.8 135.9 29.1 95.1 225 468 A I H 3<5S+ 0 0 4 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.790 121.9 38.0 -62.4 -30.2 134.6 30.9 92.0 226 469 A W T 3<5S- 0 0 35 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.023 106.7-120.7-114.4 28.3 131.9 28.2 91.6 227 470 A D T < 5 + 0 0 106 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.861 51.6 159.1 31.3 81.0 131.0 27.6 95.2 228 471 A V < 0 0 11 -5,-2.0 -1,-0.2 1,-0.1 -2,-0.1 -0.914 360.0 360.0-134.6 106.2 131.8 23.9 95.4 229 472 A Q 0 0 146 -2,-0.4 -1,-0.1 -5,-0.0 0, 0.0 0.419 360.0 360.0 -35.6 360.0 132.4 22.4 98.9 230 !* 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 0.0 231 745 B D 0 0 128 0, 0.0 5,-0.1 0, 0.0 -7,-0.0 0.000 360.0 360.0 360.0 141.8 135.7 33.8 102.6 232 746 B H > + 0 0 56 3,-0.1 4,-2.3 1,-0.1 5,-0.2 0.870 360.0 166.4 51.8 50.9 137.1 34.0 99.0 233 747 B Q H > S+ 0 0 157 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.922 72.3 46.1 -54.9 -54.1 140.8 34.0 99.9 234 748 B L H > S+ 0 0 54 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.845 114.5 43.9 -62.7 -43.2 142.0 33.3 96.3 235 749 B L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.947 115.3 50.3 -69.0 -45.1 139.8 35.8 94.5 236 750 B R H X S+ 0 0 37 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.882 111.5 49.5 -57.8 -40.5 140.5 38.5 97.1 237 751 B Y H X S+ 0 0 145 -4,-2.3 4,-1.5 -5,-0.2 3,-0.3 0.838 109.4 49.8 -67.6 -36.8 144.3 37.8 96.8 238 752 B L H < S+ 0 0 44 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.825 107.9 55.5 -72.3 -30.5 144.3 38.0 93.0 239 753 B L H < S+ 0 0 31 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.694 111.3 43.2 -74.5 -19.9 142.4 41.3 93.3 240 754 B D H < 0 0 122 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.695 360.0 360.0 -96.7 -25.7 145.1 42.8 95.6 241 755 B K < 0 0 106 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.1 0.988 360.0 360.0 -60.0 360.0 148.2 41.5 93.6