==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 19-NOV-11 3UQ3 . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN STI1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.B.SCHMID,S.LAGLEDER,M.A.GRAEWERT,A.ROEHL,F.HAGN,S.K.WANDIN . 266 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 83.1 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 . 10 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.6 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 0 0 0 0 1 0 1 2 4 0 2 2 0 1 0 0 1 0 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 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 1 258 A G > 0 0 35 0, 0.0 4,-1.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 130.2 -3.8 3.5 6.5 2 259 A G H > + 0 0 59 2,-0.2 4,-1.4 3,-0.1 3,-0.1 0.977 360.0 9.7 -64.7 -86.2 -5.6 0.2 5.7 3 260 A S H > S+ 0 0 112 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.752 129.2 65.7 -66.4 -23.0 -7.4 0.8 2.4 4 261 A M H > S+ 0 0 116 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.938 105.9 36.9 -65.4 -52.4 -5.4 4.1 2.2 5 262 A A H X S+ 0 0 0 -4,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.797 110.3 63.1 -73.7 -28.2 -2.0 2.5 1.9 6 263 A D H X S+ 0 0 75 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.762 101.4 52.5 -68.4 -26.6 -3.3 -0.3 -0.3 7 264 A K H X S+ 0 0 134 -4,-1.0 4,-3.5 -3,-0.4 5,-0.3 0.947 106.6 51.3 -70.4 -52.5 -4.3 2.3 -2.8 8 265 A E H X S+ 0 0 43 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.924 113.6 46.1 -47.4 -48.8 -0.8 3.8 -2.9 9 266 A K H X S+ 0 0 28 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.940 112.9 49.1 -56.5 -50.8 0.5 0.2 -3.5 10 267 A A H X S+ 0 0 45 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.845 110.5 50.8 -60.6 -36.8 -2.2 -0.3 -6.1 11 268 A E H X S+ 0 0 58 -4,-3.5 4,-2.0 2,-0.2 -1,-0.2 0.903 109.3 51.5 -66.6 -42.2 -1.2 2.9 -7.7 12 269 A G H X S+ 0 0 0 -4,-2.5 4,-3.5 -5,-0.3 3,-0.3 0.967 107.5 52.2 -54.5 -56.1 2.5 1.8 -7.6 13 270 A N H X S+ 0 0 36 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.796 107.3 53.6 -50.4 -34.6 1.5 -1.5 -9.3 14 271 A K H X S+ 0 0 152 -4,-1.4 4,-0.8 -5,-0.2 -1,-0.2 0.924 114.6 39.9 -68.0 -43.3 -0.3 0.5 -12.1 15 272 A F H ><>S+ 0 0 55 -4,-2.0 5,-2.6 -3,-0.3 3,-0.7 0.906 113.1 54.9 -71.5 -42.3 2.9 2.5 -12.7 16 273 A Y H ><5S+ 0 0 6 -4,-3.5 3,-1.7 1,-0.2 -2,-0.2 0.899 105.1 54.3 -54.2 -45.2 5.2 -0.5 -12.4 17 274 A K H 3<5S+ 0 0 161 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.731 107.3 50.0 -64.3 -26.8 3.1 -2.3 -15.0 18 275 A A T <<5S- 0 0 62 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.135 120.2-110.8 -98.4 17.9 3.6 0.6 -17.5 19 276 A R T < 5S+ 0 0 154 -3,-1.7 2,-1.0 1,-0.2 -3,-0.2 0.743 75.0 137.8 60.5 28.5 7.4 0.5 -16.8 20 277 A Q >< + 0 0 80 -5,-2.6 4,-1.6 1,-0.2 -1,-0.2 -0.820 24.8 170.9-102.2 91.1 7.3 3.8 -15.0 21 278 A F H > + 0 0 29 -2,-1.0 4,-3.2 2,-0.2 -1,-0.2 0.862 67.1 49.0 -82.2 -40.0 9.6 2.8 -12.1 22 279 A D H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.861 113.8 50.8 -65.7 -34.8 10.4 5.9 -10.2 23 280 A E H > S+ 0 0 59 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.891 112.1 46.6 -66.6 -41.9 6.7 6.7 -10.2 24 281 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 3,-0.2 0.954 110.8 53.1 -62.1 -51.5 6.0 3.2 -8.9 25 282 A I H X S+ 0 0 24 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.859 106.2 52.2 -51.7 -44.3 8.8 3.6 -6.3 26 283 A E H X S+ 0 0 125 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.893 110.9 46.9 -67.9 -37.0 7.4 6.8 -4.9 27 284 A H H X S+ 0 0 40 -4,-1.5 4,-2.3 -3,-0.2 -1,-0.2 0.858 109.2 54.5 -68.5 -36.8 3.9 5.3 -4.4 28 285 A Y H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.896 109.3 48.4 -62.2 -39.8 5.5 2.2 -2.7 29 286 A N H X S+ 0 0 62 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.897 109.6 51.7 -65.3 -42.8 7.2 4.6 -0.3 30 287 A K H X S+ 0 0 72 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.911 108.3 52.5 -57.7 -43.6 4.0 6.4 0.4 31 288 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.907 111.1 46.4 -57.6 -45.3 2.3 3.1 1.1 32 289 A W H < S+ 0 0 36 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.905 110.1 53.5 -64.3 -45.4 5.0 2.2 3.6 33 290 A E H < S+ 0 0 132 -4,-2.8 -2,-0.2 1,-0.2 3,-0.2 0.909 113.2 43.2 -54.7 -46.4 4.8 5.6 5.2 34 291 A L H < S+ 0 0 39 -4,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.758 131.9 12.5 -70.4 -28.7 1.0 5.2 5.7 35 292 A H S < S- 0 0 70 -4,-1.5 2,-0.8 -5,-0.2 -1,-0.3 -0.832 74.8-127.9-161.7 108.5 1.2 1.6 7.0 36 293 A K + 0 0 102 -2,-0.3 2,-0.3 -3,-0.2 -4,-0.1 -0.481 54.5 135.5 -67.9 101.7 4.2 -0.4 8.0 37 294 A D > - 0 0 50 -2,-0.8 3,-1.2 36,-0.0 4,-0.4 -0.935 52.1-139.8-151.3 124.6 4.0 -3.6 5.9 38 295 A I T >> S+ 0 0 3 -2,-0.3 4,-2.5 1,-0.3 3,-0.7 0.640 91.9 80.4 -70.5 -14.7 7.1 -5.1 4.2 39 296 A T H 3> S+ 0 0 26 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.929 90.2 55.5 -49.9 -48.0 5.1 -6.0 1.0 40 297 A Y H <> S+ 0 0 8 -3,-1.2 4,-1.2 1,-0.2 -1,-0.3 0.797 108.2 47.9 -58.6 -30.6 5.4 -2.4 -0.0 41 298 A L H <> S+ 0 0 4 -3,-0.7 4,-2.3 -4,-0.4 -1,-0.2 0.892 107.7 53.6 -78.8 -42.7 9.2 -2.7 0.3 42 299 A N H X S+ 0 0 5 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.893 110.2 50.6 -52.8 -41.4 9.4 -5.9 -1.7 43 300 A N H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.857 107.2 51.0 -67.5 -36.4 7.5 -4.0 -4.4 44 301 A R H X S+ 0 0 53 -4,-1.2 4,-2.9 1,-0.2 -1,-0.2 0.894 107.4 54.8 -68.4 -37.1 9.9 -1.1 -4.3 45 302 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.833 104.6 54.3 -61.0 -35.4 12.7 -3.6 -4.7 46 303 A A H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.939 110.1 46.0 -63.3 -48.0 11.0 -5.0 -7.8 47 304 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.925 113.8 48.9 -59.0 -47.2 10.9 -1.5 -9.3 48 305 A E H <>S+ 0 0 10 -4,-2.9 5,-2.3 2,-0.2 4,-0.4 0.896 112.0 49.4 -58.9 -44.5 14.6 -1.0 -8.3 49 306 A Y H ><5S+ 0 0 23 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.943 108.7 51.4 -57.4 -52.3 15.5 -4.4 -9.9 50 307 A E H 3<5S+ 0 0 48 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.758 105.0 57.2 -62.1 -27.5 13.7 -3.6 -13.1 51 308 A K T 3<5S- 0 0 88 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.628 120.1-114.6 -70.6 -17.4 15.6 -0.3 -13.3 52 309 A G T < 5S+ 0 0 30 -3,-2.0 2,-1.3 -4,-0.4 3,-0.2 0.607 75.8 134.9 87.2 13.8 18.7 -2.4 -13.2 53 310 A E >< + 0 0 95 -5,-2.3 4,-1.9 1,-0.2 -1,-0.2 -0.701 21.7 164.4 -90.7 81.2 19.7 -1.1 -9.8 54 311 A Y H > S+ 0 0 55 -2,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.888 70.1 52.0 -73.5 -37.8 20.6 -4.5 -8.4 55 312 A E H > S+ 0 0 114 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.923 109.7 50.1 -62.9 -42.9 22.6 -3.2 -5.4 56 313 A T H > S+ 0 0 59 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.922 109.7 52.2 -60.1 -45.0 19.7 -0.9 -4.4 57 314 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.911 110.3 46.5 -56.4 -47.7 17.3 -3.8 -4.6 58 315 A I H X S+ 0 0 1 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.929 113.2 50.3 -62.7 -46.0 19.4 -6.0 -2.4 59 316 A S H X S+ 0 0 74 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.959 111.4 47.3 -54.2 -57.1 19.8 -3.2 0.1 60 317 A T H X S+ 0 0 8 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.859 116.4 45.8 -49.7 -41.7 16.0 -2.6 0.1 61 318 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.887 106.2 55.3 -77.8 -41.4 15.4 -6.3 0.6 62 319 A N H X S+ 0 0 59 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.882 113.2 45.3 -55.8 -39.5 17.9 -7.0 3.3 63 320 A D H X S+ 0 0 74 -4,-1.9 4,-2.8 -5,-0.2 5,-0.3 0.884 107.7 58.2 -69.6 -41.3 16.2 -4.2 5.3 64 321 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.879 107.9 45.8 -57.6 -42.4 12.8 -5.7 4.4 65 322 A V H X S+ 0 0 9 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.900 112.0 51.3 -70.4 -39.5 13.6 -9.0 6.0 66 323 A E H X S+ 0 0 148 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.923 116.1 40.6 -62.1 -45.2 15.1 -7.4 9.1 67 324 A Q H X S+ 0 0 72 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.855 113.4 54.8 -72.2 -34.6 12.0 -5.3 9.6 68 325 A G H <>S+ 0 0 0 -4,-2.4 5,-3.1 -5,-0.3 4,-0.5 0.859 108.1 49.4 -64.5 -38.2 9.7 -8.2 8.7 69 326 A R H ><5S+ 0 0 131 -4,-2.4 3,-0.9 3,-0.2 -2,-0.2 0.925 110.3 49.3 -64.3 -47.6 11.4 -10.3 11.4 70 327 A E H 3<5S+ 0 0 157 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.818 118.0 42.2 -58.1 -33.9 10.9 -7.5 14.0 71 328 A M T 3<5S- 0 0 79 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.471 110.8-122.0 -91.0 -6.3 7.3 -7.4 12.8 72 329 A R T < 5 - 0 0 223 -3,-0.9 -3,-0.2 -4,-0.5 2,-0.1 0.964 42.1-168.3 57.1 55.3 6.8 -11.2 12.7 73 330 A A < - 0 0 30 -5,-3.1 -1,-0.1 -8,-0.2 5,-0.1 -0.446 32.7 -77.8 -75.9 148.2 5.8 -11.0 9.0 74 331 A D > - 0 0 80 -2,-0.1 4,-1.6 1,-0.1 3,-0.3 -0.065 38.8-124.1 -46.0 138.0 4.3 -14.1 7.2 75 332 A Y H > S+ 0 0 124 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.793 107.2 57.9 -61.6 -30.2 7.0 -16.7 6.2 76 333 A K H > S+ 0 0 86 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.925 104.3 48.7 -63.8 -48.8 6.0 -16.6 2.5 77 334 A V H > S+ 0 0 19 -3,-0.3 4,-1.6 1,-0.2 3,-0.3 0.907 111.7 47.7 -67.6 -39.8 6.6 -12.9 2.0 78 335 A I H X S+ 0 0 4 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.859 106.7 59.0 -68.2 -32.2 10.1 -12.9 3.6 79 336 A S H X S+ 0 0 5 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.824 104.1 52.1 -58.0 -33.4 10.8 -16.0 1.5 80 337 A K H X S+ 0 0 92 -4,-1.3 4,-2.5 -3,-0.3 -2,-0.2 0.871 105.5 54.1 -70.4 -38.9 10.0 -13.7 -1.5 81 338 A S H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 3,-0.4 0.981 111.2 44.3 -55.2 -56.9 12.5 -11.1 -0.2 82 339 A F H X S+ 0 0 7 -4,-2.3 4,-2.2 1,-0.3 -1,-0.2 0.864 113.0 53.4 -56.9 -39.9 15.3 -13.7 -0.1 83 340 A A H X S+ 0 0 12 -4,-1.8 4,-1.9 2,-0.2 -1,-0.3 0.854 108.7 48.0 -63.1 -39.7 14.2 -14.9 -3.5 84 341 A R H X S+ 0 0 20 -4,-2.5 4,-2.7 -3,-0.4 -2,-0.2 0.860 107.6 54.9 -73.5 -34.9 14.4 -11.5 -5.0 85 342 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.948 107.7 52.5 -55.9 -47.8 17.9 -11.0 -3.5 86 343 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 15,-0.2 -2,-0.2 0.901 109.6 47.0 -53.0 -49.0 18.8 -14.2 -5.3 87 344 A N H X S+ 0 0 20 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.926 112.3 50.1 -57.5 -48.4 17.5 -12.8 -8.6 88 345 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.904 110.7 48.5 -60.3 -46.5 19.4 -9.5 -8.1 89 346 A Y H <>S+ 0 0 29 -4,-2.9 5,-2.5 2,-0.2 4,-0.4 0.872 109.2 54.1 -59.9 -39.0 22.7 -11.3 -7.3 90 347 A H H ><5S+ 0 0 63 -4,-2.0 3,-0.7 -5,-0.2 -2,-0.2 0.862 106.9 50.6 -64.8 -36.8 22.2 -13.5 -10.4 91 348 A K H 3<5S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.831 107.5 54.1 -66.5 -32.0 21.8 -10.4 -12.4 92 349 A L T 3<5S- 0 0 88 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.556 116.0-120.3 -74.7 -8.6 25.1 -9.2 -10.8 93 350 A G T < 5 + 0 0 59 -3,-0.7 2,-0.8 -4,-0.4 -3,-0.2 0.779 68.1 139.5 71.1 28.1 26.7 -12.4 -12.0 94 351 A D >< + 0 0 58 -5,-2.5 4,-1.6 1,-0.2 -1,-0.2 -0.821 25.8 178.5-103.6 91.4 27.5 -13.4 -8.4 95 352 A L H > S+ 0 0 23 -2,-0.8 4,-1.8 1,-0.2 5,-0.2 0.805 71.8 58.5 -68.1 -35.6 26.7 -17.2 -8.5 96 353 A K H > S+ 0 0 148 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.976 111.5 39.0 -54.2 -59.7 27.7 -17.9 -4.9 97 354 A K H > S+ 0 0 81 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.770 110.5 58.3 -71.1 -28.5 25.3 -15.5 -3.2 98 355 A T H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.927 111.9 43.1 -63.7 -42.3 22.5 -16.2 -5.6 99 356 A I H X S+ 0 0 16 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.938 113.0 52.6 -65.6 -47.9 22.7 -19.8 -4.5 100 357 A E H X S+ 0 0 77 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.904 112.4 44.9 -54.0 -46.1 23.1 -18.8 -0.9 101 358 A Y H X S+ 0 0 26 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.764 109.7 54.0 -76.9 -23.8 19.9 -16.6 -1.1 102 359 A Y H X S+ 0 0 3 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.926 109.4 49.2 -67.8 -43.8 17.9 -19.3 -2.9 103 360 A Q H X S+ 0 0 92 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.923 110.9 51.2 -54.3 -47.6 18.8 -21.7 -0.1 104 361 A K H X S+ 0 0 68 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.861 110.3 48.6 -60.6 -39.7 17.7 -19.0 2.4 105 362 A S H X S+ 0 0 1 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.906 112.2 47.4 -68.0 -43.3 14.4 -18.6 0.5 106 363 A L H < S+ 0 0 24 -4,-2.6 4,-0.2 2,-0.2 -2,-0.2 0.850 108.3 55.8 -66.6 -36.3 13.7 -22.3 0.4 107 364 A T H < S+ 0 0 123 -4,-2.6 3,-0.2 -5,-0.2 -1,-0.2 0.914 112.8 42.7 -59.2 -45.0 14.6 -22.6 4.2 108 365 A E H < S- 0 0 56 -4,-1.7 -2,-0.2 1,-0.2 2,-0.2 0.907 142.1 -11.8 -67.4 -45.2 11.9 -20.0 4.8 109 366 A H < - 0 0 54 -4,-2.7 2,-0.3 -5,-0.1 -1,-0.2 -0.726 68.3-135.0-163.3 108.5 9.4 -21.5 2.4 110 367 A R + 0 0 214 -4,-0.2 2,-0.3 -3,-0.2 -4,-0.1 -0.492 33.1 170.9 -68.7 122.1 10.0 -24.2 -0.1 111 368 A T > - 0 0 47 -2,-0.3 4,-0.8 2,-0.3 5,-0.1 -0.848 43.6-113.7-125.5 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44.3 -39.9 -11.3 161 418 A A H X S+ 0 0 9 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.893 112.1 47.2 -61.7 -42.5 47.0 -37.9 -13.0 162 419 A Y H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.761 107.0 56.8 -75.1 -25.2 45.4 -38.3 -16.4 163 420 A T H X S+ 0 0 38 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.855 105.9 51.3 -69.7 -38.3 42.0 -37.3 -14.9 164 421 A E H X S+ 0 0 58 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.898 110.0 50.5 -62.5 -41.0 43.6 -34.0 -13.7 165 422 A M H X S+ 0 0 2 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.894 108.6 50.8 -64.9 -42.1 44.9 -33.6 -17.3 166 423 A I H < S+ 0 0 9 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.886 114.8 44.4 -60.7 -40.1 41.4 -34.2 -18.7 167 424 A K H < S+ 0 0 120 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.857 115.4 46.7 -73.7 -35.2 40.0 -31.6 -16.3 168 425 A R H < S+ 0 0 34 -4,-2.6 -33,-1.7 1,-0.3 -29,-0.2 0.743 132.2 18.4 -77.6 -24.4 42.8 -29.1 -17.0 169 426 A A >< + 0 0 19 -4,-2.0 3,-1.5 -5,-0.2 -1,-0.3 -0.603 66.2 173.7-147.8 80.7 42.5 -29.5 -20.7 170 427 A P T 3 S+ 0 0 38 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.688 80.9 54.4 -66.7 -17.7 39.2 -31.1 -21.8 171 428 A E T 3 S+ 0 0 131 4,-0.0 2,-0.7 3,-0.0 -5,-0.1 0.515 81.9 99.6 -93.9 -6.6 39.9 -30.6 -25.5 172 429 A D X> - 0 0 37 -3,-1.5 3,-1.3 -7,-0.2 4,-0.6 -0.733 59.4-158.6 -85.5 112.4 43.3 -32.5 -25.5 173 430 A A H 3> S+ 0 0 6 -2,-0.7 4,-2.1 1,-0.3 3,-0.5 0.757 83.3 73.6 -65.3 -25.1 42.7 -36.0 -26.8 174 431 A R H 3> S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 94,-0.3 0.784 88.5 60.5 -58.7 -32.3 45.8 -37.3 -25.1 175 432 A G H <> S+ 0 0 1 -3,-1.3 4,-2.4 -6,-0.2 -1,-0.2 0.908 109.1 41.1 -63.9 -43.2 44.3 -37.2 -21.6 176 433 A Y H X S+ 0 0 25 -4,-0.6 4,-2.7 -3,-0.5 -2,-0.2 0.907 116.0 48.4 -71.4 -45.9 41.5 -39.6 -22.5 177 434 A S H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.899 113.9 49.0 -60.5 -41.9 43.7 -42.0 -24.5 178 435 A N H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.926 111.3 46.5 -65.3 -48.6 46.2 -41.9 -21.6 179 436 A R H X S+ 0 0 51 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.913 111.0 55.9 -58.8 -39.3 43.6 -42.6 -19.0 180 437 A A H X S+ 0 0 1 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.862 105.0 51.8 -59.6 -38.8 42.3 -45.4 -21.3 181 438 A A H X S+ 0 0 4 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.940 112.9 43.6 -62.0 -49.2 45.8 -46.9 -21.3 182 439 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.886 111.6 53.9 -64.6 -41.6 46.0 -47.0 -17.5 183 440 A L H <>S+ 0 0 22 -4,-2.8 5,-2.9 1,-0.2 -1,-0.2 0.855 107.0 52.1 -59.3 -38.4 42.4 -48.3 -17.2 184 441 A A H ><5S+ 0 0 30 -4,-1.6 3,-1.6 3,-0.2 -1,-0.2 0.892 105.1 54.5 -67.0 -41.3 43.2 -51.2 -19.5 185 442 A K H 3<5S+ 0 0 123 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.902 109.3 48.1 -57.5 -42.4 46.3 -52.1 -17.4 186 443 A L T 3<5S- 0 0 74 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.368 119.2-118.8 -77.4 2.3 43.9 -52.3 -14.4 187 444 A M T < 5S+ 0 0 141 -3,-1.6 2,-1.2 1,-0.2 -3,-0.2 0.701 70.5 138.2 65.5 23.3 41.6 -54.4 -16.7 188 445 A S >< + 0 0 47 -5,-2.9 4,-1.4 1,-0.2 -1,-0.2 -0.698 24.4 165.4 -91.0 78.5 38.7 -51.9 -16.5 189 446 A F H > + 0 0 42 -2,-1.2 4,-2.7 2,-0.2 5,-0.2 0.904 61.3 55.2 -72.7 -47.1 38.0 -52.4 -20.2 190 447 A P H > S+ 0 0 83 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.875 112.6 48.3 -55.3 -36.0 34.5 -50.9 -20.8 191 448 A E H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.874 108.2 53.8 -66.5 -40.9 35.9 -47.7 -19.2 192 449 A A H X S+ 0 0 1 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.912 108.5 50.2 -60.3 -43.2 39.0 -47.9 -21.5 193 450 A I H X S+ 0 0 25 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.923 109.8 50.7 -56.3 -49.4 36.7 -48.1 -24.5 194 451 A A H X S+ 0 0 54 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.884 110.2 47.6 -62.5 -43.4 34.7 -45.0 -23.3 195 452 A D H X S+ 0 0 17 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.896 111.2 52.2 -64.2 -40.6 37.8 -42.9 -22.8 196 453 A C H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.879 107.5 53.4 -60.1 -40.0 39.1 -43.9 -26.3 197 454 A N H X S+ 0 0 70 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.905 109.5 46.2 -62.3 -43.1 35.7 -42.9 -27.8 198 455 A K H X S+ 0 0 96 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.845 109.9 55.6 -69.4 -32.5 35.9 -39.4 -26.3 199 456 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.881 107.6 49.9 -63.2 -37.7 39.6 -39.2 -27.5 200 457 A I H < S+ 0 0 26 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.815 109.2 49.4 -74.7 -32.1 38.4 -39.9 -31.0 201 458 A E H < S+ 0 0 119 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.822 113.0 49.0 -73.9 -27.1 35.6 -37.3 -30.9 202 459 A K H < S+ 0 0 61 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.807 133.5 11.3 -76.2 -30.4 38.3 -34.8 -29.6 203 460 A D >< - 0 0 61 -4,-1.6 3,-1.8 -5,-0.1 -1,-0.3 -0.720 61.7-172.0-151.8 92.6 40.7 -35.8 -32.4 204 461 A P T 3 S+ 0 0 66 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.700 89.0 57.7 -59.7 -18.7 39.4 -38.0 -35.3 205 462 A N T 3 S+ 0 0 67 34,-0.0 2,-1.0 35,-0.0 -5,-0.1 0.171 73.4 114.8 -97.8 15.9 43.0 -38.3 -36.5 206 463 A F X> - 0 0 26 -3,-1.8 4,-0.7 1,-0.2 3,-0.6 -0.745 40.3-178.7 -97.0 98.1 44.4 -39.8 -33.4 207 464 A V H >> S+ 0 0 9 -2,-1.0 4,-1.7 1,-0.2 3,-1.4 0.903 73.3 62.0 -67.6 -47.9 45.5 -43.4 -34.4 208 465 A R H 3> S+ 0 0 71 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.806 101.1 57.4 -48.8 -34.0 46.8 -44.7 -31.0 209 466 A A H <> S+ 0 0 0 -3,-0.6 4,-1.9 1,-0.2 -1,-0.3 0.824 104.1 50.1 -70.5 -33.6 43.3 -44.2 -29.6 210 467 A Y H S+ 0 0 17 -4,-2.3 5,-3.3 -5,-0.3 3,-0.3 0.910 109.1 48.3 -63.8 -44.0 37.5 -54.7 -27.2 218 475 A I H ><5S+ 0 0 26 -4,-2.7 3,-2.1 3,-0.2 -2,-0.2 0.906 107.0 57.7 -58.0 -43.3 39.5 -57.9 -28.1 219 476 A A H 3<5S+ 0 0 50 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.793 109.9 43.2 -62.3 -30.8 40.2 -58.2 -24.3 220 477 A V T 3<5S- 0 0 60 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 -0.001 120.2-111.3-102.2 26.8 36.5 -58.3 -23.6 221 478 A K T < 5 + 0 0 159 -3,-2.1 2,-1.3 1,-0.2 -3,-0.2 0.707 67.6 147.6 53.6 28.7 35.9 -60.6 -26.6 222 479 A E >< + 0 0 106 -5,-3.3 4,-1.8 1,-0.2 -1,-0.2 -0.708 14.3 160.7 -88.9 83.6 34.0 -58.0 -28.6 223 480 A Y H > + 0 0 96 -2,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.895 62.9 53.3 -80.1 -45.3 35.3 -59.3 -32.0 224 481 A A H > S+ 0 0 72 -3,-0.2 4,-1.4 1,-0.2 3,-0.2 0.938 116.3 41.9 -54.0 -50.6 32.8 -57.9 -34.5 225 482 A S H > S+ 0 0 32 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.925 108.0 60.2 -62.4 -48.9 33.5 -54.4 -33.1 226 483 A A H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.842 105.6 48.9 -49.6 -40.7 37.2 -54.9 -32.8 227 484 A L H X S+ 0 0 46 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.884 111.2 48.7 -70.3 -39.7 37.4 -55.5 -36.6 228 485 A E H X S+ 0 0 137 -4,-1.4 4,-2.5 -3,-0.3 3,-0.3 0.960 111.5 49.7 -61.1 -52.4 35.4 -52.4 -37.4 229 486 A T H X S+ 0 0 10 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.821 110.6 52.0 -53.7 -34.3 37.6 -50.3 -35.1 230 487 A L H X S+ 0 0 0 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.847 107.7 50.5 -76.5 -33.2 40.6 -51.8 -36.8 231 488 A D H X S+ 0 0 81 -4,-1.8 4,-2.5 -3,-0.3 3,-0.4 0.987 112.2 46.5 -61.8 -60.2 39.3 -50.8 -40.3 232 489 A A H X S+ 0 0 41 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.877 112.2 53.6 -45.9 -43.5 38.7 -47.3 -39.2 233 490 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.888 109.1 46.8 -61.9 -42.7 42.2 -47.4 -37.6 234 491 A R H X S+ 0 0 82 -4,-2.1 4,-2.0 -3,-0.4 -2,-0.2 0.865 110.8 52.4 -69.4 -38.2 43.8 -48.5 -40.9 235 492 A T H X S+ 0 0 96 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.941 113.6 42.5 -60.8 -50.5 41.9 -45.8 -42.9 236 493 A K H X S+ 0 0 50 -4,-2.3 4,-2.3 -5,-0.2 5,-0.4 0.756 111.6 56.7 -69.9 -24.9 43.1 -43.0 -40.7 237 494 A D H X S+ 0 0 1 -4,-1.4 6,-2.7 -5,-0.2 4,-1.7 0.882 106.4 48.4 -73.9 -39.2 46.6 -44.5 -40.5 238 495 A A H X S+ 0 0 63 -4,-2.0 4,-1.1 4,-0.3 -2,-0.2 0.975 118.0 41.9 -59.0 -54.0 47.0 -44.4 -44.3 239 496 A E H < S+ 0 0 125 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.899 129.5 23.6 -59.5 -49.6 45.8 -40.8 -44.4 240 497 A V H < S+ 0 0 59 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.843 134.2 26.7 -94.1 -39.8 47.6 -39.4 -41.4 241 498 A N H >< S- 0 0 72 -4,-1.7 3,-0.9 -5,-0.4 -3,-0.2 0.295 98.3-112.9-113.3 6.9 50.6 -41.6 -40.8 242 499 A N T 3< S- 0 0 153 -4,-1.1 -4,-0.3 -5,-0.3 -3,-0.1 0.749 74.5 -66.3 62.3 24.4 51.4 -43.0 -44.2 243 500 A G T > S+ 0 0 28 -6,-2.7 3,-1.3 -7,-0.1 -1,-0.2 0.770 90.4 151.1 69.7 30.4 50.4 -46.4 -42.7 244 501 A S T < S+ 0 0 88 -3,-0.9 -2,-0.1 -7,-0.4 -1,-0.1 0.438 70.1 45.7 -78.4 -1.5 53.3 -46.4 -40.3 245 502 A S T 3> S+ 0 0 20 -11,-0.1 4,-1.6 1,-0.1 -1,-0.3 -0.095 76.7 115.4-125.5 36.0 51.6 -48.5 -37.7 246 503 A A H <> S+ 0 0 33 -3,-1.3 4,-2.7 2,-0.2 -2,-0.1 0.832 71.1 56.0 -74.0 -35.8 50.1 -51.1 -40.1 247 504 A R H > S+ 0 0 221 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.867 108.7 48.7 -66.1 -35.8 52.1 -54.1 -38.7 248 505 A E H > S+ 0 0 73 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.900 111.6 48.8 -68.0 -43.9 50.6 -53.3 -35.2 249 506 A I H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.934 108.9 55.0 -58.6 -47.2 47.1 -53.1 -36.7 250 507 A D H X S+ 0 0 43 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.892 103.0 53.5 -54.9 -47.9 47.6 -56.4 -38.5 251 508 A Q H X S+ 0 0 128 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.901 113.2 44.4 -56.3 -42.8 48.6 -58.4 -35.4 252 509 A L H X S+ 0 0 29 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.853 110.7 54.5 -70.8 -35.3 45.4 -57.2 -33.7 253 510 A Y H < S+ 0 0 88 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.874 109.3 48.9 -62.3 -38.1 43.4 -57.9 -36.9 254 511 A Y H >X S+ 0 0 114 -4,-2.6 3,-0.8 2,-0.2 4,-0.7 0.911 111.6 47.4 -69.2 -44.0 44.7 -61.5 -36.8 255 512 A K H >< S+ 0 0 149 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.848 108.6 55.6 -64.3 -36.4 43.9 -62.0 -33.1 256 513 A A T 3< S+ 0 0 6 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.593 110.1 46.4 -74.0 -11.7 40.4 -60.6 -33.7 257 514 A S T <4 0 0 62 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.563 360.0 360.0 -99.7 -12.5 39.8 -63.2 -36.4 258 515 A Q << 0 0 208 -4,-0.7 -1,-0.1 -3,-0.5 -4,-0.0 -0.628 360.0 360.0 -92.9 360.0 41.2 -66.2 -34.4 259 !* 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 0.0 260 706 B M 0 0 105 0, 0.0 3,-0.1 0, 0.0 -214,-0.0 0.000 360.0 360.0 360.0 145.1 9.0 -8.7 -15.0 261 707 B E - 0 0 33 -215,-0.2 2,-0.3 1,-0.1 -211,-0.0 -0.168 360.0 -97.9 -48.7 145.2 9.4 -9.4 -11.3 262 708 B E - 0 0 138 -216,-0.0 2,-0.3 1,-0.0 -1,-0.1 -0.539 34.6-161.2 -73.7 125.6 6.2 -10.1 -9.5 263 709 B V 0 0 33 -2,-0.3 -223,-0.1 -3,-0.1 -220,-0.0 -0.845 360.0 360.0-101.0 148.9 4.6 -7.2 -7.6 264 710 B D 0 0 69 -2,-0.3 -251,-0.1 -225,-0.2 -1,-0.0 -0.454 360.0 360.0-103.6 360.0 2.1 -8.0 -4.9 265 !* 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 0.0 266 708 C E 0 0 184 0, 0.0 2,-0.2 0, 0.0 -119,-0.0 0.000 360.0 360.0 360.0 174.4 53.5 -46.2 -23.9 267 709 C V 0 0 13 -120,-0.1 -93,-0.0 1,-0.1 -89,-0.0 -0.631 360.0 360.0-119.9 174.7 51.6 -43.0 -23.4 268 710 C D 0 0 59 -94,-0.3 -94,-0.1 -2,-0.2 -93,-0.1 0.482 360.0 360.0-109.2 360.0 51.4 -39.5 -25.0