==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE RECEPTOR 06-MAR-07 2P1V . COMPND 2 MOLECULE: RETINOIC ACID RECEPTOR RXR-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.BOURGUET,V.NAHOUM . 221 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11056.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 74.7 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 . 4 1.8 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 0.5 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 . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 56.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 3 0 1 0 2 0 1 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 229 A D 0 0 146 0, 0.0 149,-0.1 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 151.3 20.1 -3.7 13.3 2 230 A M - 0 0 1 147,-0.2 2,-0.2 148,-0.0 151,-0.1 -0.567 360.0-167.9-149.2 73.6 19.3 -1.6 16.4 3 231 A P >> - 0 0 33 0, 0.0 4,-1.2 0, 0.0 3,-0.9 -0.467 21.9-139.7 -71.6 136.2 22.3 -1.1 18.8 4 232 A V H 3> S+ 0 0 16 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.705 99.0 71.1 -66.4 -21.3 21.5 0.3 22.2 5 233 A E H 3> S+ 0 0 120 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.877 98.9 45.9 -60.4 -41.2 24.6 2.5 21.9 6 234 A R H <> S+ 0 0 119 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.906 112.5 50.8 -69.6 -43.4 23.0 4.7 19.3 7 235 A I H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.948 111.3 47.8 -58.5 -49.8 19.8 4.9 21.3 8 236 A L H X S+ 0 0 45 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.921 109.5 53.9 -56.6 -45.5 21.8 6.0 24.4 9 237 A E H X S+ 0 0 117 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.861 105.5 54.3 -55.8 -39.3 23.7 8.5 22.2 10 238 A A H X S+ 0 0 1 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.927 109.5 47.1 -61.4 -46.3 20.4 10.0 21.2 11 239 A E H >< S+ 0 0 9 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.928 113.3 47.3 -59.3 -49.5 19.3 10.5 24.8 12 240 A L H >< S+ 0 0 81 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.809 105.3 60.3 -65.5 -30.2 22.6 12.1 25.8 13 241 A A H 3< S+ 0 0 52 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.692 105.4 47.7 -74.0 -20.7 22.7 14.4 22.8 14 242 A V T << 0 0 36 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.162 360.0 360.0-106.7 16.9 19.4 16.1 23.9 15 243 A E < 0 0 148 -3,-1.1 -3,-0.1 -4,-0.0 -2,-0.1 0.400 360.0 360.0 -89.3 360.0 20.4 16.7 27.5 16 ! 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 17 263 A D > 0 0 109 0, 0.0 4,-1.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 170.3 1.2 29.6 38.0 18 264 A P H > + 0 0 17 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.828 360.0 61.5 -61.6 -35.1 2.7 26.0 37.5 19 265 A V H > S+ 0 0 9 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.919 104.9 49.0 -58.6 -46.0 0.4 25.0 34.6 20 266 A T H > S+ 0 0 30 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.952 113.0 46.5 -53.5 -54.0 1.8 27.9 32.5 21 267 A N H X S+ 0 0 49 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.820 112.1 52.3 -60.2 -33.7 5.4 26.9 33.3 22 268 A I H X S+ 0 0 56 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.914 109.6 47.7 -68.5 -44.6 4.5 23.2 32.5 23 269 A C H X S+ 0 0 9 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.801 109.0 54.7 -67.0 -33.0 3.0 24.2 29.1 24 270 A Q H X S+ 0 0 100 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.933 109.2 47.8 -60.6 -50.7 6.1 26.3 28.3 25 271 A A H X S+ 0 0 6 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.875 109.9 52.4 -58.9 -41.3 8.4 23.3 29.0 26 272 A A H X S+ 0 0 26 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.941 111.9 44.9 -63.7 -48.6 6.2 21.0 26.8 27 273 A D H >X S+ 0 0 14 -4,-2.0 4,-0.9 1,-0.2 3,-0.6 0.943 113.0 52.2 -57.5 -52.3 6.4 23.3 23.8 28 274 A K H 3X S+ 0 0 104 -4,-2.7 4,-1.0 1,-0.2 3,-0.4 0.844 109.5 49.4 -47.6 -44.9 10.1 23.8 24.3 29 275 A Q H 3X S+ 0 0 29 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.710 95.2 71.4 -79.4 -20.9 10.7 20.0 24.4 30 276 A L H < S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 4,-0.5 0.942 109.0 51.5 -60.5 -52.0 15.9 13.0 19.3 37 283 A A H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.3 6,-0.2 0.837 104.3 56.5 -56.9 -40.0 13.8 11.0 16.9 38 284 A K H 3< S+ 0 0 54 -4,-1.8 6,-0.3 1,-0.2 -1,-0.3 0.755 105.2 53.8 -64.1 -25.2 16.1 11.7 13.9 39 285 A R T << S+ 0 0 124 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.501 85.2 98.3 -87.1 -8.9 19.0 10.2 16.0 40 286 A I S X S- 0 0 1 -3,-1.1 3,-2.0 -4,-0.5 4,-0.5 -0.748 93.0 -99.0 -81.1 120.0 17.0 6.9 16.6 41 287 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.051 99.2 2.2 -44.8 132.4 18.3 4.4 14.0 42 288 A H T 3> S+ 0 0 63 -4,-0.1 4,-0.6 1,-0.1 3,-0.2 0.248 98.5 105.9 77.5 -9.4 16.1 3.9 10.9 43 289 A F T X4 S+ 0 0 0 -3,-2.0 3,-1.0 -6,-0.2 -5,-0.1 0.921 78.6 50.3 -66.9 -44.4 13.5 6.6 11.9 44 290 A S T 34 S+ 0 0 60 -4,-0.5 -1,-0.2 -6,-0.3 -6,-0.1 0.718 103.9 60.5 -66.5 -20.9 14.7 9.2 9.3 45 291 A E T 34 S+ 0 0 147 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.639 85.3 96.2 -82.6 -17.9 14.6 6.6 6.5 46 292 A L S << S- 0 0 5 -3,-1.0 5,-0.1 -4,-0.6 -4,-0.0 -0.410 96.5 -79.3 -65.7 150.4 10.8 6.1 7.0 47 293 A P >> - 0 0 58 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.192 39.8-120.7 -49.1 139.4 8.5 8.1 4.7 48 294 A L H 3> S+ 0 0 71 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.864 113.6 54.3 -54.4 -40.7 8.1 11.7 5.9 49 295 A D H 3> S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.861 109.8 47.7 -62.0 -37.4 4.3 11.3 6.3 50 296 A D H <> S+ 0 0 2 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.859 107.8 53.9 -72.2 -37.8 4.9 8.2 8.6 51 297 A Q H X S+ 0 0 13 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.874 110.2 49.9 -59.3 -38.9 7.5 10.2 10.6 52 298 A V H X S+ 0 0 8 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.921 110.3 48.7 -65.0 -48.0 4.8 12.8 11.0 53 299 A I H X S+ 0 0 37 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.921 112.2 49.1 -57.5 -46.8 2.2 10.2 12.1 54 300 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.888 113.5 44.9 -63.9 -41.1 4.6 8.6 14.7 55 301 A L H X S+ 0 0 2 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.852 113.9 49.3 -74.2 -35.1 5.6 11.9 16.3 56 302 A R H < S+ 0 0 44 -4,-2.2 4,-0.2 -5,-0.2 -2,-0.2 0.828 116.0 44.1 -69.0 -34.6 2.0 13.1 16.4 57 303 A A H < S+ 0 0 52 -4,-2.1 4,-0.2 -5,-0.2 -2,-0.2 0.840 125.7 29.9 -75.6 -35.2 0.9 9.8 18.0 58 304 A G H X S+ 0 0 4 -4,-2.0 4,-2.5 -5,-0.2 5,-0.3 0.633 84.7 100.0-104.4 -14.5 3.8 9.6 20.5 59 305 A W H X S+ 0 0 14 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.820 85.7 47.4 -48.3 -48.5 5.0 13.1 21.5 60 306 A N H > S+ 0 0 28 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.950 115.2 43.6 -61.0 -50.9 3.2 13.3 24.8 61 307 A E H > S+ 0 0 22 -4,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.874 114.3 52.6 -61.6 -37.5 4.2 9.9 26.1 62 308 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.894 112.8 43.5 -65.1 -42.2 7.7 10.5 24.8 63 309 A L H X S+ 0 0 16 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.845 112.1 52.3 -73.6 -35.6 7.9 13.8 26.7 64 310 A I H X S+ 0 0 3 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.920 107.3 52.9 -65.2 -45.4 6.4 12.4 29.9 65 311 A A H X S+ 0 0 7 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.907 110.1 49.3 -52.9 -46.3 8.9 9.5 30.0 66 312 A S H X S+ 0 0 18 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.907 112.5 43.7 -65.3 -46.6 11.8 12.0 29.8 67 313 A F H X S+ 0 0 43 -4,-1.9 4,-0.9 2,-0.2 12,-0.5 0.821 112.2 55.4 -72.3 -26.3 10.7 14.4 32.5 68 314 A S H < S+ 0 0 0 -4,-2.2 3,-0.4 2,-0.2 -2,-0.2 0.927 110.5 43.4 -67.6 -46.0 9.8 11.5 34.8 69 315 A H H >< S+ 0 0 26 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.901 110.8 56.2 -65.4 -39.8 13.3 10.0 34.5 70 316 A R H 3< S+ 0 0 82 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.761 104.1 56.5 -57.7 -27.2 14.8 13.5 34.9 71 317 A S T >< S+ 0 0 0 -4,-0.9 3,-2.0 -3,-0.4 6,-0.3 0.341 71.0 107.8 -92.0 4.1 12.8 13.8 38.2 72 318 A I T < S+ 0 0 39 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.757 82.9 44.6 -56.0 -31.4 14.2 10.6 39.9 73 319 A A T 3 S+ 0 0 105 -3,-0.4 2,-0.5 -4,-0.2 -1,-0.3 0.403 94.1 101.5 -92.0 2.0 16.4 12.6 42.4 74 320 A V S < S- 0 0 26 -3,-2.0 2,-0.6 3,-0.2 3,-0.5 -0.743 71.8-133.0 -94.4 128.6 13.5 15.0 43.1 75 321 A K S S- 0 0 160 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.730 81.3 -24.3 -83.5 121.6 11.6 14.5 46.3 76 322 A D S S+ 0 0 72 -2,-0.6 12,-2.6 1,-0.2 2,-0.3 0.757 126.4 71.1 48.9 36.4 7.8 14.7 45.7 77 323 A G E S-A 87 0A 0 -3,-0.5 2,-0.3 -6,-0.3 10,-0.2 -0.905 71.5-114.9-157.8-177.0 8.3 16.8 42.6 78 324 A I E -A 86 0A 7 8,-2.1 8,-2.7 -2,-0.3 2,-0.6 -0.926 18.0-131.3-128.6 156.5 9.4 17.0 39.0 79 325 A L E -A 85 0A 39 -12,-0.5 6,-0.2 -2,-0.3 2,-0.1 -0.951 22.8-145.5-107.5 116.3 12.1 18.9 37.2 80 326 A L > - 0 0 9 4,-3.6 3,-2.3 -2,-0.6 -58,-0.1 -0.457 23.9-116.8 -75.0 153.2 11.0 20.7 34.1 81 327 A A T 3 S+ 0 0 31 1,-0.3 -1,-0.1 2,-0.1 -55,-0.0 0.732 115.5 67.1 -62.5 -21.1 13.4 21.0 31.1 82 328 A T T 3 S- 0 0 58 -61,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.464 123.3-104.4 -74.5 -4.2 13.3 24.8 31.7 83 329 A G S < S+ 0 0 54 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.363 78.7 135.0 93.0 -3.6 15.1 24.2 35.0 84 330 A L - 0 0 58 -63,-0.1 -4,-3.6 -5,-0.0 2,-0.6 -0.651 47.3-146.2 -81.9 130.2 12.0 24.7 37.2 85 331 A H E -A 79 0A 117 -2,-0.4 2,-0.6 -6,-0.2 -6,-0.2 -0.871 13.4-160.4 -90.1 119.8 11.3 22.2 40.0 86 332 A V E -A 78 0A 4 -8,-2.7 -8,-2.1 -2,-0.6 2,-0.2 -0.907 8.8-150.2-105.2 119.2 7.5 21.8 40.5 87 333 A H E >> -A 77 0A 74 -2,-0.6 4,-1.6 -10,-0.2 3,-0.9 -0.602 23.7-116.2 -89.8 147.0 6.5 20.4 43.9 88 334 A R H 3> S+ 0 0 92 -12,-2.6 4,-2.5 -2,-0.2 5,-0.2 0.811 114.3 57.2 -35.8 -49.5 3.5 18.2 44.7 89 335 A N H 3> S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 105.6 50.2 -57.1 -41.4 2.0 21.0 46.9 90 336 A S H <4 S+ 0 0 43 -3,-0.9 -1,-0.2 2,-0.2 4,-0.2 0.838 109.8 50.8 -70.2 -34.9 2.0 23.5 44.0 91 337 A A H ><>S+ 0 0 1 -4,-1.6 5,-2.0 2,-0.2 3,-1.4 0.949 111.3 47.7 -65.3 -50.3 0.3 21.0 41.7 92 338 A H H ><5S+ 0 0 80 -4,-2.5 3,-1.9 4,-0.3 5,-0.4 0.930 110.5 50.8 -55.9 -46.7 -2.5 20.3 44.3 93 339 A S T 3<5S+ 0 0 106 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.482 106.8 56.8 -76.0 -0.6 -3.1 24.0 45.0 94 340 A A T < 5S- 0 0 33 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.239 120.7-105.4-109.0 8.0 -3.4 24.6 41.2 95 341 A G T < 5S+ 0 0 66 -3,-1.9 -3,-0.2 -4,-0.1 -2,-0.1 0.513 101.9 91.2 86.7 6.1 -6.2 22.1 40.8 96 342 A V >< + 0 0 21 -5,-2.0 4,-1.8 -6,-0.2 -4,-0.3 -0.007 43.9 122.2-122.1 29.1 -4.1 19.3 39.2 97 343 A G H > + 0 0 6 -5,-0.4 4,-2.4 -6,-0.4 -5,-0.2 0.888 68.8 52.7 -58.6 -51.5 -3.0 17.3 42.3 98 344 A A H > S+ 0 0 79 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.930 112.4 43.6 -55.8 -52.3 -4.5 13.9 41.5 99 345 A I H > S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 112.3 54.8 -63.2 -39.2 -2.8 13.6 38.0 100 346 A F H X S+ 0 0 17 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.913 107.5 49.6 -56.3 -46.6 0.5 14.9 39.4 101 347 A D H X S+ 0 0 32 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.836 105.0 58.7 -63.5 -35.3 0.5 12.2 42.1 102 348 A R H X>S+ 0 0 69 -4,-1.7 4,-2.8 2,-0.2 5,-0.5 0.922 106.2 48.3 -58.5 -45.0 -0.1 9.6 39.4 103 349 A V H X>S+ 0 0 7 -4,-1.8 5,-2.0 1,-0.2 4,-1.9 0.943 113.7 47.5 -61.7 -46.0 3.0 10.6 37.6 104 350 A L H <>S+ 0 0 13 -4,-1.9 5,-2.9 3,-0.2 6,-0.2 0.896 121.6 33.3 -60.6 -46.6 5.0 10.5 40.9 105 351 A T H <5S+ 0 0 84 -4,-2.7 -2,-0.2 3,-0.2 -3,-0.2 0.869 126.5 36.9 -84.2 -38.0 3.7 7.1 42.1 106 352 A E H <5S+ 0 0 50 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.715 135.0 10.9 -89.9 -22.3 3.3 5.3 38.7 107 353 A L T X S+ 0 0 97 2,-0.2 4,-1.4 -6,-0.2 -1,-0.2 0.886 110.8 49.7 -69.7 -41.0 9.0 3.3 39.9 111 357 A M H <>S+ 0 0 9 -4,-2.7 5,-2.3 2,-0.2 4,-0.4 0.872 114.9 46.4 -61.1 -38.2 11.9 4.5 37.8 112 358 A R H ><5S+ 0 0 101 -4,-2.1 3,-1.1 -5,-0.2 -2,-0.2 0.945 109.0 52.0 -70.4 -49.4 13.7 5.5 41.0 113 359 A D H 3<5S+ 0 0 126 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.774 118.9 37.3 -61.9 -27.8 13.1 2.2 42.9 114 360 A M T 3<5S- 0 0 18 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.435 105.2-126.9 -99.6 -1.0 14.5 0.1 40.0 115 361 A Q T < 5 - 0 0 161 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.923 29.6-156.2 50.8 48.8 17.3 2.6 39.1 116 362 A M < - 0 0 6 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.1 -0.343 11.6-142.4 -51.1 125.2 16.1 2.7 35.5 117 363 A D > - 0 0 25 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.407 20.7-103.1 -93.2 173.9 19.1 3.8 33.4 118 364 A K H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -107,-0.1 0.736 119.1 55.1 -70.6 -25.6 19.3 6.0 30.4 119 365 A T H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 110.5 47.1 -70.9 -42.7 19.8 3.2 27.9 120 366 A E H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.905 112.2 48.6 -62.7 -47.3 16.6 1.6 29.2 121 367 A L H X S+ 0 0 7 -4,-2.3 4,-2.3 1,-0.2 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-5.6 32.5 162 408 A Y >< + 0 0 33 -4,-2.1 3,-1.8 -5,-0.3 -1,-0.2 -0.514 67.6 156.2-128.1 64.0 21.4 -6.8 35.2 163 409 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.783 72.5 61.0 -65.6 -24.2 21.8 -10.6 35.1 164 410 A E T 3 S+ 0 0 132 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.465 96.6 65.5 -78.2 -4.7 20.6 -11.0 38.7 165 411 A Q X + 0 0 71 -3,-1.8 3,-1.5 -7,-0.2 4,-0.3 -0.722 56.7 168.4-118.6 79.3 17.2 -9.4 37.8 166 412 A P T 3 S+ 0 0 102 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.698 78.5 52.5 -65.7 -19.7 15.4 -11.8 35.4 167 413 A G T 3> S+ 0 0 45 1,-0.2 4,-2.3 2,-0.1 5,-0.2 0.413 80.6 97.4 -92.4 2.6 12.1 -9.9 35.6 168 414 A R H <> S+ 0 0 3 -3,-1.5 4,-2.3 -6,-0.2 -1,-0.2 0.865 79.6 52.0 -62.5 -43.6 13.6 -6.5 34.8 169 415 A F H > S+ 0 0 25 -4,-0.3 4,-2.1 -3,-0.2 -1,-0.2 0.930 113.1 44.8 -58.4 -50.1 12.7 -6.5 31.0 170 416 A A H > S+ 0 0 50 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.894 110.8 55.1 -60.1 -43.1 9.1 -7.3 31.8 171 417 A K H < S+ 0 0 127 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.884 108.2 49.4 -57.5 -42.1 9.1 -4.7 34.6 172 418 A L H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 4,-0.4 0.955 111.3 47.0 -61.9 -53.4 10.2 -2.0 32.1 173 419 A L H >< S+ 0 0 53 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.817 103.6 64.5 -59.6 -32.6 7.6 -2.9 29.5 174 420 A L T 3< S+ 0 0 110 -4,-2.0 4,-0.4 1,-0.3 -1,-0.3 0.477 88.6 67.0 -78.8 -1.5 4.9 -2.9 32.1 175 421 A R T <> S+ 0 0 53 -3,-1.6 4,-2.3 -4,-0.3 -1,-0.3 0.665 84.0 79.0 -80.0 -18.8 5.4 0.8 32.8 176 422 A L H <> S+ 0 0 38 -3,-1.5 4,-2.4 -4,-0.4 -2,-0.2 0.830 87.8 51.8 -61.8 -36.8 4.0 1.5 29.3 177 423 A P H > S+ 0 0 82 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.922 110.5 49.6 -65.6 -37.3 0.3 1.0 30.2 178 424 A A H > S+ 0 0 12 -4,-0.4 4,-2.6 2,-0.2 5,-0.2 0.934 111.7 49.6 -59.7 -45.4 0.8 3.6 33.0 179 425 A L H X S+ 0 0 11 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.931 109.3 50.9 -59.5 -48.7 2.4 5.9 30.6 180 426 A R H X S+ 0 0 104 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.948 113.0 45.9 -51.3 -53.6 -0.4 5.6 28.0 181 427 A S H X S+ 0 0 46 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.918 114.6 46.3 -59.9 -48.7 -3.0 6.3 30.6 182 428 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.894 110.1 54.7 -63.3 -40.9 -1.2 9.3 32.1 183 429 A G H X S+ 0 0 5 -4,-3.1 4,-2.0 -5,-0.2 -1,-0.2 0.912 108.8 48.4 -54.6 -45.1 -0.5 10.7 28.5 184 430 A L H X S+ 0 0 100 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.859 111.3 49.7 -68.1 -37.1 -4.2 10.6 27.7 185 431 A K H X S+ 0 0 71 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.895 110.3 49.2 -68.3 -42.3 -5.1 12.4 31.0 186 432 A C H X S+ 0 0 38 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.890 110.6 51.7 -63.4 -39.6 -2.5 15.2 30.5 187 433 A L H X S+ 0 0 49 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.910 106.5 53.6 -62.8 -44.5 -3.8 15.7 27.0 188 434 A E H X S+ 0 0 115 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.889 109.6 49.1 -52.8 -44.7 -7.4 15.9 28.3 189 435 A H H X S+ 0 0 49 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.906 108.4 52.4 -64.2 -43.7 -6.2 18.7 30.7 190 436 A L H X S+ 0 0 12 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.929 106.8 52.2 -60.0 -48.8 -4.4 20.6 27.9 191 437 A F H X S+ 0 0 93 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.887 111.4 48.9 -52.6 -41.3 -7.6 20.6 25.8 192 438 A F H X S+ 0 0 116 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.887 108.2 52.1 -66.1 -41.3 -9.4 22.0 28.8 193 439 A F H X S+ 0 0 37 -4,-2.4 4,-2.0 1,-0.2 6,-0.7 0.900 112.1 47.9 -60.9 -40.5 -6.8 24.7 29.4 194 440 A K H < S+ 0 0 99 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.935 110.4 51.2 -62.4 -49.0 -7.2 25.7 25.7 195 441 A L H < S+ 0 0 143 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.918 111.4 46.0 -56.0 -49.7 -11.0 25.8 26.0 196 442 A I H < S- 0 0 92 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.874 96.8-151.6 -64.3 -39.6 -11.0 28.0 29.1 197 443 A G < + 0 0 54 -4,-2.0 -3,-0.1 -5,-0.2 -4,-0.1 0.509 63.5 106.8 87.1 7.1 -8.4 30.2 27.4 198 444 A D + 0 0 138 -5,-0.4 -4,-0.1 2,-0.1 -5,-0.1 0.772 62.3 78.5 -85.5 -29.6 -6.5 31.7 30.3 199 445 A T S S- 0 0 26 -6,-0.7 2,-0.3 1,-0.0 -2,-0.1 -0.696 83.9-122.3 -88.0 127.9 -3.3 29.6 29.9 200 446 A P - 0 0 85 0, 0.0 2,-0.5 0, 0.0 -177,-0.1 -0.527 28.8-170.1 -67.0 126.7 -0.8 30.7 27.2 201 447 A I - 0 0 23 -2,-0.3 -177,-0.1 -4,-0.1 -181,-0.0 -0.972 14.1-138.4-124.9 115.0 -0.3 27.8 24.8 202 448 A D > - 0 0 99 -2,-0.5 4,-2.3 -179,-0.2 5,-0.2 -0.115 27.1 -94.1 -76.8 172.5 2.6 28.3 22.3 203 449 A T H > S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.774 117.4 45.7 -62.6 -41.4 2.7 27.4 18.6 204 450 A F H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.926 115.6 48.9 -71.4 -40.8 4.1 23.9 18.5 205 451 A L H > S+ 0 0 2 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.891 111.1 51.4 -59.3 -42.7 1.9 22.8 21.4 206 452 A M H < S+ 0 0 76 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.875 106.9 53.1 -59.7 -42.3 -1.1 24.3 19.5 207 453 A E H >< S+ 0 0 10 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.845 104.8 54.1 -66.0 -36.8 -0.2 22.4 16.3 208 454 A M H 3< S+ 0 0 14 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.846 104.1 58.4 -63.5 -32.4 -0.2 19.1 18.1 209 455 A L T 3< S+ 0 0 11 -4,-1.2 -1,-0.2 -5,-0.1 2,-0.2 0.325 87.8 99.3 -80.1 5.0 -3.7 20.0 19.4 210 456 A E S < S- 0 0 82 -3,-1.3 -3,-0.0 1,-0.1 0, 0.0 -0.648 82.4 -97.5 -92.5 154.9 -5.1 20.3 15.8 211 457 A A 0 0 83 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.214 360.0 360.0 -64.9 154.9 -7.0 17.5 14.1 212 458 A P 0 0 154 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.913 360.0 360.0 -86.2 360.0 -5.4 15.1 11.7 213 !* 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 0.0 214 687 B H > 0 0 62 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 66.6 1.1 20.4 10.5 215 688 B K H > + 0 0 122 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.872 360.0 50.6 -68.9 -43.2 3.6 23.0 9.2 216 689 B I H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.954 113.3 45.1 -60.8 -52.2 6.1 23.2 12.1 217 690 B L H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.909 113.1 50.7 -58.6 -46.4 6.7 19.5 12.4 218 691 B H H X S+ 0 0 60 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.894 110.9 49.9 -55.5 -43.3 7.0 19.0 8.6 219 692 B R H X S+ 0 0 147 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.882 112.8 45.0 -65.9 -41.5 9.6 21.9 8.5 220 693 B L H < S+ 0 0 54 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.835 113.3 49.5 -74.0 -35.9 11.7 20.4 11.3 221 694 B L H < S+ 0 0 11 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.775 106.3 57.7 -70.7 -29.2 11.6 16.9 9.9 222 695 B Q H < 0 0 143 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.927 360.0 360.0 -63.4 -46.9 12.6 18.3 6.5 223 696 B D < 0 0 105 -4,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.477 360.0 360.0 120.2 360.0 15.8 19.7 8.1