==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 27-APR-10 3MPL . COMPND 2 MOLECULE: VIRULENCE SENSOR PROTEIN BVGS; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PERTUSSIS; . AUTHOR J.HERROU,C.BOMPARD,R.WINTJENS,E.DUPRE,E.WILLERY,V.VILLERET,C . 233 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 14.2 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 0.4 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 . 12 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0 0 1 0 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 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 PARALLEL BRIDGES PER LADDER . 0 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 292 A H 0 0 158 0, 0.0 216,-0.1 0, 0.0 215,-0.0 0.000 360.0 360.0 360.0 -75.2 9.3 -34.8 -4.4 2 293 A P - 0 0 26 0, 0.0 2,-0.9 0, 0.0 215,-0.1 0.008 360.0-152.2 -61.1 139.3 11.3 -31.7 -5.5 3 294 A A - 0 0 81 213,-0.0 2,-0.1 0, 0.0 213,-0.0 -0.775 17.5-162.6 -96.4 86.6 15.2 -32.0 -5.4 4 295 A Y - 0 0 48 -2,-0.9 2,-0.1 1,-0.1 209,-0.0 -0.454 15.3-121.6 -75.0 147.5 16.4 -28.5 -4.8 5 296 A S > - 0 0 50 -2,-0.1 4,-3.0 204,-0.1 5,-0.2 -0.265 27.3-104.7 -76.8 169.0 20.1 -27.6 -5.6 6 297 A A H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.903 123.2 50.1 -64.5 -40.1 22.6 -26.3 -3.0 7 298 A R H > S+ 0 0 193 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.869 110.6 49.4 -64.1 -38.3 22.3 -22.7 -4.6 8 299 A E H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.925 109.4 52.6 -67.3 -42.0 18.5 -22.9 -4.5 9 300 A Q H X S+ 0 0 115 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.926 110.0 48.3 -54.5 -46.4 18.8 -24.0 -0.8 10 301 A Q H X S+ 0 0 107 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.928 108.4 53.5 -63.5 -45.6 20.9 -21.0 -0.1 11 302 A W H X S+ 0 0 22 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.891 111.1 47.4 -55.5 -45.4 18.4 -18.7 -1.9 12 303 A M H < S+ 0 0 16 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.785 108.5 53.6 -67.3 -30.3 15.6 -20.1 0.3 13 304 A A H < S+ 0 0 68 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.868 115.6 41.1 -68.3 -38.9 17.7 -19.6 3.5 14 305 A D H < S+ 0 0 106 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.680 123.0 38.8 -81.5 -24.6 18.2 -15.9 2.5 15 306 A H < + 0 0 63 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.527 59.8 155.0-123.5 66.0 14.6 -15.4 1.3 16 307 A P S S+ 0 0 75 0, 0.0 39,-2.7 0, 0.0 2,-0.5 0.754 74.6 50.1 -61.6 -25.3 12.3 -17.2 3.7 17 308 A V E S-a 55 0A 64 37,-0.2 2,-0.5 -3,-0.1 39,-0.2 -0.972 76.2-164.4-116.2 118.7 9.5 -14.7 2.7 18 309 A V E -a 56 0A 0 37,-3.5 39,-3.1 -2,-0.5 2,-0.5 -0.903 15.9-131.9-109.8 133.1 8.9 -14.2 -1.0 19 310 A K E -a 57 0A 58 -2,-0.5 58,-2.6 37,-0.2 59,-1.5 -0.735 22.9-167.7 -90.0 124.8 6.9 -11.2 -2.3 20 311 A V E -ab 58 78A 0 37,-3.3 39,-3.3 -2,-0.5 2,-0.4 -0.945 7.0-154.7-117.4 122.1 4.3 -12.2 -4.8 21 312 A A E +ab 59 79A 0 57,-2.6 59,-3.2 -2,-0.5 60,-0.4 -0.731 19.2 176.0 -95.0 143.4 2.4 -9.6 -7.0 22 313 A V E -a 60 0A 0 37,-2.3 39,-2.4 -2,-0.4 2,-0.3 -0.969 35.4-100.7-141.9 156.9 -1.0 -10.5 -8.3 23 314 A L E > -a 61 0A 23 58,-0.3 3,-0.6 -2,-0.3 39,-0.2 -0.585 26.3-143.1 -78.0 135.6 -3.7 -8.7 -10.3 24 315 A N T 3 S+ 0 0 39 37,-2.9 8,-0.6 -2,-0.3 2,-0.3 0.831 94.2 31.6 -70.9 -35.0 -6.6 -7.5 -8.1 25 316 A L E 3 S+E 31 0B 103 36,-0.3 -1,-0.3 37,-0.2 128,-0.2 -0.519 78.8 113.2-128.3 64.6 -9.4 -8.2 -10.5 26 317 A F E X> -E 30 0B 31 4,-2.2 3,-1.5 -3,-0.6 4,-1.5 -0.311 61.0-160.4-127.2 40.9 -8.3 -11.3 -12.5 27 318 A A T 34 + 0 0 7 1,-0.3 150,-0.1 2,-0.3 126,-0.1 -0.422 66.4 27.6 -64.4 143.1 -11.0 -13.7 -11.1 28 319 A P T 34 S+ 0 0 0 0, 0.0 12,-3.1 0, 0.0 -1,-0.3 -0.973 131.6 44.2 -93.4 11.3 -11.3 -16.6 -11.0 29 320 A F T <4 S+ 0 0 2 -3,-1.5 12,-1.8 1,-0.3 13,-0.8 0.985 127.2 2.6 -74.1 -68.6 -7.5 -16.7 -11.0 30 321 A T E < S+E 26 0B 0 -4,-1.5 -4,-2.2 11,-0.2 -1,-0.3 -0.988 78.8 137.6-123.7 141.0 -6.4 -13.9 -8.5 31 322 A L E -EF 25 38B 16 7,-1.4 7,-3.4 -2,-0.4 2,-0.4 -0.969 42.7-123.7-166.6 163.1 -8.9 -11.8 -6.5 32 323 A F E F 0 37B 64 -8,-0.6 5,-0.2 -2,-0.3 4,-0.1 -0.995 360.0 360.0-122.4 130.4 -9.5 -10.3 -3.1 33 324 A R 0 0 159 3,-2.8 5,-0.0 -2,-0.4 -2,-0.0 -0.241 360.0 360.0 -57.6 360.0 -12.7 -11.0 -1.1 34 ! 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 35 327 A E 0 0 206 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 53.3 -9.9 -8.7 2.0 36 328 A Q - 0 0 145 1,-0.1 -3,-2.8 -4,-0.1 2,-0.2 -0.551 360.0-108.1 -77.5 144.4 -8.3 -12.2 1.9 37 329 A F E +F 32 0B 44 -5,-0.2 2,-0.2 -2,-0.2 -5,-0.2 -0.477 53.0 162.9 -63.6 133.6 -6.5 -13.2 -1.3 38 330 A G E +F 31 0B 7 -7,-3.4 -7,-1.4 -2,-0.2 3,-0.2 -0.847 13.0 85.7-142.0-175.4 -8.5 -15.8 -3.3 39 331 A G S > S- 0 0 4 -2,-0.2 4,-1.5 -9,-0.2 3,-0.4 -0.330 86.7 -56.6 108.7 175.2 -9.0 -17.6 -6.6 40 332 A I H > S+ 0 0 1 -12,-3.1 4,-2.2 1,-0.2 -11,-0.2 0.896 134.0 50.8 -51.9 -46.5 -7.4 -20.6 -8.4 41 333 A S H > S+ 0 0 0 -12,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.822 102.9 59.0 -69.6 -28.2 -3.9 -19.1 -8.1 42 334 A A H > S+ 0 0 11 -13,-0.8 4,-1.6 -3,-0.4 -1,-0.2 0.919 109.1 44.4 -63.6 -42.8 -4.2 -18.5 -4.4 43 335 A A H X S+ 0 0 26 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.883 112.7 52.7 -68.9 -38.8 -4.8 -22.3 -3.8 44 336 A V H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.919 107.1 51.4 -59.8 -44.5 -1.9 -23.1 -6.1 45 337 A L H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.876 107.0 54.5 -67.0 -32.4 0.4 -20.8 -4.2 46 338 A Q H X S+ 0 0 123 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.934 107.3 49.1 -63.8 -44.6 -0.6 -22.6 -1.0 47 339 A L H X S+ 0 0 40 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.891 111.0 52.0 -58.1 -39.1 0.4 -26.0 -2.6 48 340 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 6,-0.4 0.826 100.5 61.4 -67.7 -33.3 3.7 -24.3 -3.6 49 341 A Q H X S+ 0 0 69 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.921 108.9 43.5 -54.3 -47.1 4.2 -23.2 0.1 50 342 A L H < S+ 0 0 141 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.877 114.1 49.4 -64.2 -43.7 4.2 -26.8 1.1 51 343 A R H < S+ 0 0 53 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.771 126.4 26.1 -64.5 -32.6 6.4 -27.9 -1.8 52 344 A T H < S- 0 0 14 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.630 90.8-130.9-106.7 -24.9 9.0 -25.1 -1.1 53 345 A G < + 0 0 63 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.1 0.537 63.2 140.6 78.4 4.3 8.7 -24.3 2.6 54 346 A L - 0 0 3 -6,-0.4 2,-0.3 -5,-0.3 -1,-0.3 -0.596 50.8-136.8 -85.9 139.8 8.5 -20.6 1.5 55 347 A D E -a 17 0A 93 -39,-2.7 -37,-3.5 -2,-0.3 2,-0.5 -0.773 21.9-145.1 -84.9 139.8 6.2 -18.0 3.0 56 348 A F E -a 18 0A 29 -2,-0.3 2,-0.6 -39,-0.2 -37,-0.2 -0.933 9.3-159.8-115.2 123.8 4.5 -15.8 0.5 57 349 A E E -a 19 0A 102 -39,-3.1 -37,-3.3 -2,-0.5 2,-0.4 -0.892 19.9-142.8 -99.4 125.9 3.6 -12.1 0.9 58 350 A I E -a 20 0A 55 -2,-0.6 2,-0.5 -39,-0.2 -37,-0.2 -0.697 17.6-175.2 -97.3 128.9 0.9 -11.0 -1.5 59 351 A I E -a 21 0A 29 -39,-3.3 -37,-2.3 -2,-0.4 2,-0.3 -0.966 14.4-154.2-117.2 112.2 0.9 -7.6 -3.1 60 352 A G E +a 22 0A 29 -2,-0.5 2,-0.3 -39,-0.2 -37,-0.2 -0.717 15.8 176.3 -89.4 138.1 -2.3 -6.8 -5.2 61 353 A V E -a 23 0A 11 -39,-2.4 -37,-2.9 -2,-0.3 -36,-0.3 -0.933 31.6-134.2-131.1 157.2 -2.2 -4.3 -8.1 62 354 A D S S+ 0 0 116 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.2 0.825 83.9 44.0 -76.5 -34.1 -4.9 -3.3 -10.6 63 355 A T > - 0 0 57 1,-0.1 4,-2.1 -40,-0.1 5,-0.1 -0.852 69.1-132.8-122.9 152.4 -2.8 -3.4 -13.8 64 356 A V H > S+ 0 0 16 -2,-0.3 4,-3.3 2,-0.2 5,-0.3 0.857 109.0 60.4 -62.5 -36.2 -0.2 -5.7 -15.4 65 357 A E H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.943 108.4 44.7 -60.7 -42.7 2.1 -2.7 -16.1 66 358 A E H > S+ 0 0 92 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.916 111.7 51.4 -64.6 -44.9 2.2 -2.0 -12.4 67 359 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.966 112.4 46.8 -57.9 -48.3 2.8 -5.7 -11.6 68 360 A I H X S+ 0 0 17 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.910 109.5 54.4 -58.9 -40.1 5.7 -5.8 -14.1 69 361 A A H X S+ 0 0 47 -4,-2.5 4,-2.4 -5,-0.3 6,-0.3 0.900 107.2 51.9 -63.5 -36.0 7.1 -2.5 -12.6 70 362 A K H X>S+ 0 0 32 -4,-2.3 6,-2.1 2,-0.2 5,-0.6 0.869 110.5 46.8 -69.9 -32.5 7.1 -4.1 -9.2 71 363 A L H ><5S+ 0 0 7 -4,-1.7 3,-0.9 -5,-0.2 -2,-0.2 0.944 112.6 50.4 -70.0 -44.1 9.1 -7.1 -10.5 72 364 A R H 3<5S+ 0 0 175 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.884 112.0 46.5 -65.4 -36.1 11.6 -4.8 -12.4 73 365 A S H 3<5S- 0 0 84 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.616 111.4-120.1 -78.0 -11.2 12.2 -2.7 -9.3 74 366 A G T <<5S+ 0 0 45 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.432 82.5 120.4 82.5 -2.1 12.6 -5.8 -7.1 75 367 A E S - 0 0 18 1,-0.1 3,-2.4 -2,-0.1 4,-0.4 -0.937 33.6-149.1-152.6 114.7 2.8 -14.0 -23.7 86 378 A S G > S+ 0 0 98 -2,-0.4 3,-1.7 1,-0.3 4,-0.3 0.856 99.9 65.8 -56.2 -33.6 5.7 -14.0 -26.2 87 379 A A G 3 S+ 0 0 71 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.760 103.3 48.0 -59.5 -23.2 5.5 -10.2 -26.3 88 380 A R G X> S+ 0 0 35 -3,-2.4 4,-2.7 1,-0.2 3,-1.2 0.447 85.4 92.6 -91.8 -2.8 6.6 -10.2 -22.6 89 381 A E T <4 S+ 0 0 86 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.1 0.622 73.0 63.8 -79.2 -12.5 9.5 -12.6 -22.9 90 382 A S T 34 S+ 0 0 93 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.693 121.3 24.7 -84.6 -18.3 12.3 -10.1 -23.5 91 383 A F T <4 S+ 0 0 73 -3,-1.2 114,-1.0 1,-0.2 2,-0.3 0.693 123.5 44.1-108.4 -26.6 11.6 -8.8 -20.0 92 384 A L E < -D 204 0A 1 -4,-2.7 2,-0.4 112,-0.2 112,-0.2 -0.866 59.6-144.6-121.0 152.5 10.0 -11.7 -18.1 93 385 A S E -D 203 0A 35 110,-2.7 110,-2.0 -2,-0.3 2,-0.4 -0.920 21.3-152.6-104.6 142.6 10.5 -15.4 -17.6 94 386 A F E -D 202 0A 26 -2,-0.4 108,-0.2 108,-0.2 2,-0.1 -0.872 10.8-129.4-111.3 143.2 7.3 -17.5 -17.2 95 387 A S E - 0 0 7 106,-2.3 3,-0.1 -2,-0.4 117,-0.1 -0.289 48.8 -69.0 -75.7 174.6 7.2 -20.8 -15.3 96 388 A R E S- 0 0 117 1,-0.1 105,-0.5 104,-0.1 -1,-0.2 -0.374 71.4 -98.2 -55.3 142.8 5.7 -24.0 -16.7 97 389 A P E -D 200 0A 40 0, 0.0 103,-0.3 0, 0.0 3,-0.1 -0.425 30.4-167.0 -67.6 145.9 2.0 -23.2 -17.0 98 390 A Y E S+ 0 0 11 101,-2.7 2,-0.4 1,-0.3 102,-0.2 0.513 81.6 39.4-108.5 -8.1 -0.3 -24.5 -14.2 99 391 A V E +D 199 0A 6 100,-1.4 100,-2.9 2,-0.0 2,-0.4 -0.996 59.3 175.2-128.8 133.8 -3.5 -23.7 -16.3 100 392 A R E +D 198 0A 152 -2,-0.4 2,-0.4 98,-0.2 98,-0.2 -0.976 20.9 164.2-132.1 120.4 -3.8 -24.3 -20.1 101 393 A N E -D 197 0A 17 96,-2.3 96,-2.5 -2,-0.4 -2,-0.0 -0.997 34.3-112.2-148.5 135.3 -7.4 -23.6 -21.3 102 394 A G - 0 0 35 -2,-0.4 69,-2.6 94,-0.3 70,-0.3 -0.143 33.0-114.1 -66.8 160.3 -9.2 -23.0 -24.6 103 395 A M E -G 170 0C 8 89,-0.5 89,-2.4 91,-0.4 2,-0.3 -0.654 31.6-171.1 -95.4 150.1 -10.7 -19.7 -25.6 104 396 A V E -GH 169 191C 11 65,-3.5 65,-1.9 -2,-0.3 2,-0.4 -0.858 22.2-122.4-133.9 169.3 -14.4 -19.1 -26.2 105 397 A I E -GH 168 190C 0 85,-2.3 84,-2.0 -2,-0.3 85,-1.4 -0.972 22.5-160.5-110.5 134.2 -16.7 -16.5 -27.5 106 398 A V E +GH 167 188C 0 61,-2.5 61,-1.9 -2,-0.4 2,-0.3 -0.895 16.1 171.1-115.2 133.4 -19.4 -15.1 -25.2 107 399 A T E - H 0 187C 21 80,-2.4 80,-2.4 -2,-0.4 59,-0.1 -0.904 42.5 -73.7-134.6 170.4 -22.5 -13.3 -26.6 108 400 A R E - H 0 186C 94 57,-0.4 78,-0.3 -2,-0.3 77,-0.1 -0.282 59.9-100.5 -61.4 147.1 -25.9 -12.0 -25.4 109 401 A Q + 0 0 87 76,-1.1 -1,-0.1 75,-0.1 3,-0.1 -0.269 45.5 172.3 -66.6 158.7 -28.4 -14.8 -24.6 110 402 A D - 0 0 81 2,-0.1 -3,-0.0 -3,-0.1 76,-0.0 -0.934 47.9-113.7-154.7 161.2 -31.2 -15.6 -27.1 111 403 A P S S+ 0 0 136 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.887 105.5 67.0 -69.4 -29.1 -33.7 -18.3 -27.2 112 404 A D S S- 0 0 121 -3,-0.1 -2,-0.1 1,-0.0 0, 0.0 -0.572 71.7-150.8 -87.8 144.2 -31.8 -19.4 -30.4 113 405 A A - 0 0 84 -2,-0.2 -4,-0.0 -4,-0.1 4,-0.0 -0.820 29.9-152.4-111.1 82.4 -28.2 -20.8 -30.3 114 406 A P > - 0 0 58 0, 0.0 3,-0.7 0, 0.0 -4,-0.0 -0.185 16.2-133.2 -65.4 150.4 -27.2 -19.6 -33.9 115 407 A V T 3 S+ 0 0 146 1,-0.2 3,-0.2 2,-0.1 -2,-0.0 0.448 99.6 58.0 -77.4 -7.0 -24.5 -21.4 -35.9 116 408 A D T > + 0 0 52 1,-0.1 3,-1.8 2,-0.1 -1,-0.2 -0.053 60.6 118.9-115.1 26.5 -22.6 -18.2 -36.9 117 409 A A T < S+ 0 0 9 -3,-0.7 -1,-0.1 1,-0.3 73,-0.1 0.830 79.6 53.7 -65.4 -23.2 -21.8 -16.7 -33.4 118 410 A D T 3 S+ 0 0 57 -3,-0.2 2,-2.5 1,-0.1 -1,-0.3 0.322 72.7 112.5 -94.5 5.0 -18.1 -17.1 -34.3 119 411 A H < + 0 0 104 -3,-1.8 -1,-0.1 1,-0.2 -3,-0.1 -0.466 35.8 157.6 -71.4 72.0 -18.6 -15.1 -37.5 120 412 A L > + 0 0 0 -2,-2.5 3,-2.9 2,-0.1 25,-0.4 0.764 33.3 108.6 -75.0 -20.7 -16.5 -12.3 -36.1 121 413 A D T 3 S+ 0 0 83 1,-0.3 23,-0.3 -3,-0.3 3,-0.1 -0.342 93.8 11.1 -56.0 123.2 -15.6 -10.9 -39.5 122 414 A G T 3 S+ 0 0 64 21,-1.2 -1,-0.3 1,-0.3 2,-0.2 0.486 114.1 103.0 87.0 4.7 -17.6 -7.6 -39.7 123 415 A R S < S- 0 0 72 -3,-2.9 22,-3.1 41,-0.0 2,-0.6 -0.730 74.8-109.6-115.9 164.8 -18.4 -7.7 -36.0 124 416 A T E -i 145 0C 29 -2,-0.2 41,-1.9 20,-0.2 42,-1.5 -0.848 34.4-172.9 -98.7 115.1 -17.2 -5.9 -32.9 125 417 A V E -ij 146 166C 0 20,-2.7 22,-2.6 -2,-0.6 2,-0.3 -0.930 9.9-150.5-112.5 122.7 -15.2 -8.1 -30.4 126 418 A A E +ij 147 167C 0 40,-2.6 42,-2.0 -2,-0.5 2,-0.3 -0.719 20.8 167.7 -87.0 138.5 -14.1 -7.1 -26.9 127 419 A L E -i 148 0C 0 20,-1.9 22,-2.3 -2,-0.3 2,-0.2 -0.938 44.2 -85.8-137.2 163.5 -10.9 -8.5 -25.2 128 420 A V E > -i 149 0C 28 40,-0.4 3,-2.3 -2,-0.3 6,-0.2 -0.475 60.9 -92.6 -67.1 134.2 -8.8 -7.6 -22.1 129 421 A R T 3 S+ 0 0 74 20,-3.4 -1,-0.1 1,-0.3 18,-0.0 -0.268 111.9 11.2 -44.9 133.6 -6.2 -5.0 -23.0 130 422 A N T 3 S+ 0 0 65 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.419 85.7 165.4 73.8 -1.0 -2.9 -6.7 -24.0 131 423 A S X - 0 0 14 -3,-2.3 3,-1.5 1,-0.2 -1,-0.2 -0.260 43.4-132.8 -49.2 128.2 -4.6 -10.1 -24.2 132 424 A A T 3> S+ 0 0 21 1,-0.2 4,-0.7 2,-0.1 -1,-0.2 0.666 102.6 70.7 -52.9 -20.1 -2.2 -12.5 -26.0 133 425 A A H 3> S+ 0 0 5 1,-0.1 4,-3.4 2,-0.1 -1,-0.2 0.813 80.6 76.7 -69.3 -33.3 -5.3 -13.5 -28.1 134 426 A I H <> S+ 0 0 27 -3,-1.5 4,-2.3 2,-0.2 5,-0.3 0.932 92.6 43.4 -49.2 -70.7 -5.5 -10.2 -30.0 135 427 A P H > S+ 0 0 86 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.922 120.7 44.9 -43.2 -52.4 -2.7 -10.4 -32.6 136 428 A L H X S+ 0 0 61 -4,-0.7 4,-2.3 1,-0.2 3,-0.4 0.916 109.2 55.3 -55.8 -50.5 -3.8 -14.0 -33.3 137 429 A L H < S+ 0 0 0 -4,-3.4 -1,-0.2 1,-0.2 -3,-0.2 0.872 109.2 47.7 -51.7 -45.5 -7.5 -13.2 -33.4 138 430 A Q H < S+ 0 0 94 -4,-2.3 -1,-0.2 -3,-0.3 -2,-0.2 0.786 104.0 58.3 -71.2 -32.7 -6.9 -10.5 -36.1 139 431 A R H < S+ 0 0 215 -4,-1.8 -2,-0.2 -3,-0.4 -1,-0.2 0.951 114.7 43.1 -59.1 -50.4 -4.8 -12.8 -38.2 140 432 A R S < S+ 0 0 112 -4,-2.3 4,-0.2 1,-0.2 0, 0.0 -0.247 120.8 30.6 -68.1 177.9 -7.9 -15.0 -38.2 141 433 A Y S > S- 0 0 33 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.809 74.5-173.8 35.4 58.4 -11.0 -12.8 -38.7 142 434 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.783 83.2 44.4 -50.7 -30.1 -9.2 -10.2 -40.9 143 435 A Q T 3 S+ 0 0 152 2,-0.1 -21,-1.2 0, 0.0 2,-0.1 0.336 83.9 119.9-105.9 6.9 -12.3 -8.0 -40.8 144 436 A A < - 0 0 8 -3,-1.8 2,-0.8 -23,-0.3 -20,-0.2 -0.464 62.0-133.8 -59.7 137.0 -13.2 -8.3 -37.1 145 437 A K E -i 124 0C 124 -22,-3.1 -20,-2.7 -25,-0.4 2,-0.5 -0.887 23.6-156.7 -95.8 107.8 -13.3 -5.0 -35.2 146 438 A V E -i 125 0C 32 -2,-0.8 2,-0.3 -22,-0.2 -20,-0.2 -0.765 13.4-179.1 -90.1 121.5 -11.3 -5.6 -31.9 147 439 A V E -i 126 0C 31 -22,-2.6 -20,-1.9 -2,-0.5 2,-0.3 -0.909 16.9-137.4-113.6 149.3 -12.0 -3.3 -28.9 148 440 A T E -i 127 0C 82 -2,-0.3 -20,-0.2 -22,-0.2 2,-0.2 -0.779 14.8-168.9-111.9 151.9 -10.1 -3.6 -25.5 149 441 A A E -i 128 0C 9 -22,-2.3 -20,-3.4 -2,-0.3 6,-0.1 -0.782 31.1-111.7-130.7 175.0 -11.2 -3.5 -21.8 150 442 A D S S- 0 0 102 -2,-0.2 -22,-0.1 -22,-0.2 3,-0.1 0.823 88.7 -10.5 -80.7 -37.8 -9.5 -3.2 -18.4 151 443 A N S > S- 0 0 29 1,-0.1 4,-1.9 -24,-0.1 3,-0.5 -0.946 80.8 -86.6-155.9 167.6 -10.3 -6.6 -16.8 152 444 A P H >> S+ 0 0 5 0, 0.0 4,-2.6 0, 0.0 3,-0.7 0.931 121.4 55.0 -50.9 -56.4 -12.5 -9.7 -17.6 153 445 A S H 3> S+ 0 0 41 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.823 110.6 45.7 -44.4 -44.7 -15.7 -8.3 -15.8 154 446 A E H 3> S+ 0 0 94 -3,-0.5 4,-1.8 2,-0.2 -1,-0.3 0.824 110.6 52.7 -73.3 -33.5 -15.6 -5.0 -17.9 155 447 A A H S+ 0 0 37 -4,-1.8 6,-1.6 -3,-0.4 5,-1.1 0.840 108.3 46.5 -54.6 -40.0 -19.5 -4.2 -22.9 159 451 A V H ><5S+ 0 0 0 -4,-1.0 3,-1.4 4,-0.2 -2,-0.2 0.962 110.8 50.9 -69.9 -50.2 -21.3 -7.2 -24.5 160 452 A A H 3<5S+ 0 0 16 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.601 113.2 51.5 -58.3 -9.5 -24.1 -7.1 -21.9 161 453 A N H 3<5S- 0 0 90 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.493 114.1-109.9-108.7 -15.9 -24.3 -3.4 -22.8 162 454 A G T <<5S+ 0 0 53 -3,-1.4 -3,-0.2 -4,-0.6 -4,-0.1 0.156 90.2 113.4 101.5 -13.4 -24.6 -3.4 -26.5 163 455 A Q S -G 103 0C 5 -2,-0.3 4,-2.8 -67,-0.3 -67,-0.2 -0.345 43.9-117.6 -63.9 151.2 -10.7 -18.4 -21.6 171 463 A Q H > S+ 0 0 54 -69,-2.6 4,-3.1 2,-0.2 5,-0.3 0.925 116.1 52.7 -53.1 -43.6 -13.4 -21.0 -21.0 172 464 A I H > S+ 0 0 4 -70,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.941 113.8 39.1 -62.7 -48.6 -12.6 -20.8 -17.3 173 465 A S H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.883 115.8 51.8 -72.3 -34.9 -13.0 -17.1 -17.0 174 466 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.950 111.2 47.9 -63.9 -51.1 -16.1 -17.0 -19.4 175 467 A S H X S+ 0 0 14 -4,-3.1 4,-2.1 1,-0.2 5,-0.3 0.874 112.3 51.2 -55.4 -43.0 -17.9 -19.8 -17.3 176 468 A Y H X S+ 0 0 25 -4,-1.9 4,-1.3 -5,-0.3 5,-0.3 0.970 115.7 37.6 -63.6 -55.2 -17.1 -17.9 -14.1 177 469 A Y H X>S+ 0 0 5 -4,-2.6 4,-2.0 2,-0.2 5,-0.8 0.832 118.6 48.9 -70.5 -35.6 -18.4 -14.5 -15.1 178 470 A V H X5S+ 0 0 8 -4,-2.5 4,-1.1 -5,-0.2 7,-0.2 0.974 116.0 40.7 -64.3 -60.3 -21.4 -15.8 -17.1 179 471 A N H <5S+ 0 0 76 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.677 128.3 31.6 -61.2 -21.9 -22.7 -18.2 -14.4 180 472 A R H <5S+ 0 0 162 -4,-1.3 -3,-0.2 -5,-0.3 -2,-0.2 0.828 133.3 15.9-110.4 -41.1 -22.0 -15.8 -11.5 181 473 A Y H <5S+ 0 0 150 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.521 133.1 33.0-108.8 -5.5 -22.4 -12.1 -12.6 182 474 A F >X< + 0 0 21 -4,-1.1 4,-2.0 -5,-0.8 3,-1.9 -0.043 67.0 153.9-143.1 30.8 -24.3 -12.5 -15.9 183 475 A A T 34 S+ 0 0 73 1,-0.3 -4,-0.1 2,-0.2 4,-0.1 -0.463 80.0 15.3 -64.6 133.4 -26.6 -15.4 -15.8 184 476 A G T 34 S+ 0 0 56 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.401 123.4 65.0 85.7 -4.3 -29.5 -14.8 -18.2 185 477 A K T <4 S+ 0 0 113 -3,-1.9 -76,-1.1 1,-0.4 2,-0.3 0.704 105.5 20.6-119.4 -32.1 -27.7 -12.0 -19.9 186 478 A L E < -H 108 0C 1 -4,-2.0 -2,-0.4 -78,-0.3 -1,-0.4 -0.907 60.4-173.9-136.5 161.5 -24.7 -13.7 -21.5 187 479 A R E -H 107 0C 40 -80,-2.4 -80,-2.4 -2,-0.3 2,-0.8 -0.992 37.1-101.6-153.8 153.5 -23.7 -17.1 -22.6 188 480 A I E -H 106 0C 67 -2,-0.3 -82,-0.3 -82,-0.2 3,-0.1 -0.755 38.7-178.9 -75.3 112.4 -20.8 -19.1 -24.0 189 481 A A E - 0 0 35 -84,-2.0 2,-0.3 -2,-0.8 -1,-0.2 0.875 54.1 -23.8 -84.3 -47.2 -21.8 -19.3 -27.7 190 482 A S E -H 105 0C 35 -85,-1.4 -85,-2.3 -73,-0.1 -1,-0.3 -0.998 59.4 -94.8-159.7 166.6 -18.8 -21.4 -29.0 191 483 A A E -H 104 0C 76 -2,-0.3 2,-0.4 -87,-0.2 -87,-0.2 -0.433 38.1-136.9 -67.6 151.5 -15.2 -22.6 -28.8 192 484 A L - 0 0 15 -89,-2.4 -89,-0.5 -2,-0.1 -1,-0.0 -0.958 11.3-130.5-116.5 147.2 -12.5 -20.7 -30.7 193 485 A D + 0 0 126 -2,-0.4 -89,-0.1 -91,-0.1 -1,-0.0 0.368 68.5 119.1 -70.8 -1.9 -9.8 -22.4 -32.7 194 486 A L S S- 0 0 11 1,-0.1 -91,-0.4 -91,-0.1 -2,-0.1 -0.210 78.1 -91.0 -66.5 157.0 -7.0 -20.3 -31.1 195 487 A P - 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -92,-0.1 -0.350 58.2 -91.2 -59.9 154.5 -4.2 -21.9 -29.1 196 488 A P - 0 0 59 0, 0.0 -94,-0.3 0, 0.0 2,-0.2 -0.264 37.2-109.5 -64.5 150.5 -5.2 -22.1 -25.4 197 489 A A E - D 0 101A 7 -96,-2.5 -96,-2.3 -3,-0.1 2,-0.5 -0.568 31.9-148.5 -67.4 146.0 -4.3 -19.4 -22.9 198 490 A E E - D 0 100A 55 -114,-0.3 -114,-2.7 -98,-0.2 2,-0.5 -0.989 5.1-157.4-118.6 125.5 -1.5 -20.5 -20.5 199 491 A I E +CD 83 99A 3 -100,-2.9 -101,-2.7 -2,-0.5 -100,-1.4 -0.909 28.1 153.6-104.1 130.7 -1.5 -19.1 -17.0 200 492 A A E -CD 82 97A 0 -118,-2.6 -118,-2.2 -2,-0.5 2,-0.2 -0.802 44.7 -95.9-140.4 171.6 2.0 -19.3 -15.2 201 493 A L E - 0 0 0 -105,-0.5 -106,-2.3 -2,-0.2 2,-0.3 -0.507 42.0-156.6 -80.6 165.7 4.1 -17.7 -12.6 202 494 A A E +CD 79 94A 0 -123,-1.4 -123,-2.7 -108,-0.2 2,-0.3 -0.997 20.5 170.2-146.7 152.5 6.6 -15.1 -13.7 203 495 A T E - D 0 93A 0 -110,-2.0 -110,-2.7 -2,-0.3 -125,-0.1 -0.833 47.2 -84.7-137.3 174.6 9.9 -13.5 -12.6 204 496 A T E > - D 0 92A 36 -127,-0.3 3,-1.2 -2,-0.3 -112,-0.2 -0.402 51.7-100.4 -72.2 168.2 12.3 -11.1 -14.3 205 497 A R T 3 S+ 0 0 154 -114,-1.0 -113,-0.1 1,-0.2 -1,-0.1 0.765 118.2 58.9 -64.9 -26.8 14.9 -12.9 -16.5 206 498 A G T 3 S+ 0 0 65 1,-0.2 2,-2.3 2,-0.0 -1,-0.2 0.651 75.1 101.1 -79.1 -5.3 17.7 -12.7 -14.0 207 499 A Q <> + 0 0 46 -3,-1.2 4,-2.4 1,-0.2 5,-0.3 -0.297 42.8 156.4 -88.2 61.3 15.8 -14.6 -11.3 208 500 A T H > + 0 0 97 -2,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.847 67.0 38.0 -49.3 -61.1 17.6 -18.0 -11.8 209 501 A E H > S+ 0 0 52 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.947 116.6 49.3 -66.9 -50.9 17.1 -19.8 -8.5 210 502 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.929 112.7 46.5 -60.2 -48.5 13.7 -18.7 -7.7 211 503 A M H X S+ 0 0 18 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.924 114.0 49.4 -63.8 -35.8 12.3 -19.6 -11.1 212 504 A S H X S+ 0 0 35 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.934 110.8 50.0 -68.1 -39.2 14.0 -23.0 -11.0 213 505 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.924 111.7 48.5 -59.2 -46.5 12.6 -23.6 -7.5 214 506 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 -2,-0.2 0.911 110.6 50.6 -67.3 -40.8 9.1 -22.7 -8.7 215 507 A N H X S+ 0 0 48 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.941 112.9 45.4 -62.2 -44.5 9.3 -25.0 -11.8 216 508 A K H X S+ 0 0 62 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.915 114.3 49.1 -63.7 -40.1 10.5 -28.0 -9.7 217 509 A A H < S+ 0 0 0 -4,-2.5 3,-0.4 -5,-0.2 -2,-0.2 0.947 113.9 45.4 -68.2 -45.4 7.7 -27.2 -7.1 218 510 A L H >< S+ 0 0 7 -4,-3.0 3,-2.3 1,-0.2 -1,-0.2 0.859 105.7 61.2 -57.9 -41.5 5.0 -26.9 -9.9 219 511 A Y H 3< S+ 0 0 146 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.859 100.7 55.7 -54.8 -34.7 6.3 -30.1 -11.6 220 512 A S T 3< S+ 0 0 16 -4,-1.2 2,-0.6 -3,-0.4 -1,-0.3 0.343 86.9 93.3 -86.2 6.2 5.5 -32.0 -8.4 221 513 A I S < S- 0 0 12 -3,-2.3 2,-0.0 4,-0.0 -173,-0.0 -0.926 74.9-138.5 -97.8 121.5 1.9 -30.8 -8.5 222 514 A S > - 0 0 52 -2,-0.6 4,-1.8 1,-0.1 5,-0.1 -0.303 18.2-116.7 -70.3 157.7 -0.3 -33.4 -10.3 223 515 A N H > S+ 0 0 129 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.868 115.2 58.1 -61.6 -38.0 -3.0 -32.6 -12.8 224 516 A D H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.877 104.2 50.6 -58.5 -43.0 -5.6 -34.1 -10.4 225 517 A E H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.949 113.8 45.6 -60.3 -44.6 -4.7 -31.7 -7.6 226 518 A L H X S+ 0 0 20 -4,-1.8 4,-3.2 1,-0.2 -2,-0.2 0.889 110.5 52.8 -65.6 -42.7 -5.0 -28.8 -10.0 227 519 A A H X S+ 0 0 44 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.886 104.5 56.2 -63.1 -38.1 -8.3 -30.1 -11.4 228 520 A S H X S+ 0 0 54 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.938 114.6 40.2 -56.3 -46.8 -9.8 -30.3 -7.9 229 521 A I H >< S+ 0 0 12 -4,-1.7 3,-1.5 2,-0.2 4,-0.2 0.982 117.5 46.7 -66.2 -53.8 -9.0 -26.6 -7.4 230 522 A I H >< S+ 0 0 19 -4,-3.2 3,-2.1 1,-0.3 -2,-0.2 0.896 103.5 62.7 -60.8 -39.0 -10.0 -25.5 -10.9 231 523 A S H >< S+ 0 0 71 -4,-3.0 3,-1.0 1,-0.3 -1,-0.3 0.766 93.5 64.8 -59.1 -18.2 -13.3 -27.4 -10.9 232 524 A R T << S+ 0 0 182 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.513 95.5 58.1 -82.0 -6.1 -14.5 -25.2 -7.9 233 525 A W T < 0 0 38 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.1 0.225 360.0 360.0-108.2 16.8 -14.6 -22.0 -9.9 234 526 A R < 0 0 105 -3,-1.0 -55,-0.2 -4,-0.1 -2,-0.1 0.936 360.0 360.0 -94.1 360.0 -17.0 -23.2 -12.7