==== 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 3MPK . 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 . 235 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 12.8 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 0.4 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 . 12 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 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 . 1 1 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 1 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 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 0 179 0, 0.0 217,-0.1 0, 0.0 51,-0.0 0.000 360.0 360.0 360.0 -59.8 58.1 33.5 2.6 2 293 A P - 0 0 28 0, 0.0 2,-0.9 0, 0.0 216,-0.1 -0.248 360.0-137.8 -60.8 140.7 59.9 30.8 4.7 3 294 A A - 0 0 82 214,-0.0 2,-0.2 211,-0.0 214,-0.0 -0.795 23.4-164.4 -99.4 91.7 63.8 31.2 4.9 4 295 A Y - 0 0 52 -2,-0.9 2,-0.1 1,-0.1 210,-0.0 -0.546 12.8-130.0 -80.7 146.7 65.3 27.7 4.5 5 296 A S > - 0 0 49 -2,-0.2 4,-2.6 205,-0.1 5,-0.2 -0.319 29.5-100.7 -87.9 169.2 68.9 27.0 5.4 6 297 A A H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.887 122.9 49.6 -58.8 -44.0 71.4 25.2 3.1 7 298 A R H > S+ 0 0 195 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.880 111.1 50.1 -62.4 -37.3 71.0 21.8 5.0 8 299 A E H > S+ 0 0 14 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.919 108.9 51.5 -65.3 -43.6 67.3 22.1 4.9 9 300 A Q H X S+ 0 0 109 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.939 110.5 48.9 -57.5 -43.7 67.6 22.7 1.2 10 301 A Q H X S+ 0 0 109 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.908 109.1 52.5 -60.0 -46.8 69.7 19.6 0.9 11 302 A W H X S+ 0 0 24 -4,-2.4 4,-1.3 1,-0.2 3,-0.3 0.934 111.0 47.5 -55.7 -47.8 67.2 17.6 2.9 12 303 A M H < S+ 0 0 14 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.800 107.7 54.9 -65.9 -29.6 64.3 18.7 0.6 13 304 A A H < S+ 0 0 70 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.799 113.4 42.6 -70.4 -32.3 66.4 17.9 -2.6 14 305 A D H < S+ 0 0 104 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.598 121.1 42.9 -86.5 -18.2 66.9 14.3 -1.2 15 306 A H < + 0 0 62 -4,-1.3 -1,-0.2 -5,-0.2 41,-0.1 -0.517 59.1 153.9-123.1 61.9 63.2 14.0 -0.1 16 307 A P S S+ 0 0 82 0, 0.0 40,-2.9 0, 0.0 2,-0.5 0.770 76.8 45.6 -62.9 -21.4 61.0 15.5 -2.8 17 308 A V E S-a 56 0A 65 38,-0.2 2,-0.4 -3,-0.1 40,-0.2 -0.990 79.8-159.3-119.0 122.0 58.2 13.2 -1.6 18 309 A V E -a 57 0A 0 38,-3.1 40,-2.8 -2,-0.5 2,-0.6 -0.896 14.9-131.0-105.9 138.0 57.7 13.2 2.2 19 310 A K E -a 58 0A 72 -2,-0.4 59,-2.1 38,-0.2 60,-1.4 -0.751 24.1-169.0 -94.9 112.0 55.8 10.2 3.8 20 311 A V E -ab 59 79A 0 38,-3.1 40,-3.7 -2,-0.6 2,-0.4 -0.927 9.0-151.5-108.6 115.0 53.1 11.5 6.2 21 312 A A E -ab 60 80A 0 58,-2.6 60,-2.5 -2,-0.6 61,-0.4 -0.717 20.6-177.9 -81.1 137.8 51.4 9.0 8.6 22 313 A V E -a 61 0A 0 38,-2.6 40,-2.7 -2,-0.4 2,-0.4 -0.966 32.5-111.7-139.1 144.1 47.8 10.0 9.6 23 314 A L E > -a 62 0A 25 -2,-0.3 3,-0.9 59,-0.3 40,-0.2 -0.713 26.9-139.6 -70.4 129.7 45.2 8.5 11.8 24 315 A N T 3 S+ 0 0 30 38,-3.0 8,-2.2 -2,-0.4 39,-0.1 0.785 94.1 27.0 -63.9 -33.1 42.3 7.2 9.6 25 316 A L E 3 S+F 31 0B 71 37,-0.3 2,-0.4 38,-0.3 -1,-0.3 -0.405 73.1 126.5-133.0 56.9 39.6 8.3 11.9 26 317 A F E X> -F 30 0B 15 4,-2.5 4,-1.9 -3,-0.9 3,-1.7 -0.512 64.2-130.8-110.2 62.0 40.8 11.3 13.9 27 318 A A T 34 S+ 0 0 0 -2,-0.4 151,-0.1 1,-0.3 150,-0.1 -0.292 73.0 3.7 -63.6 142.2 37.8 13.5 12.9 28 319 A P T 34 S+ 0 0 0 0, 0.0 13,-3.0 0, 0.0 -1,-0.3 -0.880 130.6 53.3 -95.2 26.6 37.7 16.3 11.9 29 320 A F T <4 S+ 0 0 0 -3,-1.7 13,-2.0 1,-0.3 14,-0.8 0.972 121.9 9.0 -84.7 -61.2 41.5 16.6 11.7 30 321 A T E < +F 26 0B 0 -4,-1.9 -4,-2.5 12,-0.2 2,-0.4 -1.000 64.7 170.3-125.5 135.6 42.4 13.5 9.7 31 322 A L E +FG 25 39B 10 8,-1.6 8,-3.1 -2,-0.4 -6,-0.2 -0.992 10.9 155.0-143.6 116.2 39.8 11.3 7.8 32 323 A F + 0 0 59 -8,-2.2 6,-0.2 -2,-0.4 -8,-0.1 -0.579 25.9 175.7-149.4 70.4 41.1 8.6 5.4 33 324 A R > - 0 0 58 4,-0.4 3,-2.6 1,-0.1 2,-0.4 -0.238 41.5 -59.6 -81.1 166.0 38.2 6.0 5.4 34 325 A T T 3 S- 0 0 129 1,-0.3 -1,-0.1 -2,-0.0 3,-0.1 -0.758 122.5 -7.5 -73.3 129.2 37.7 2.9 3.3 35 326 A D T 3 S+ 0 0 159 -2,-0.4 -1,-0.3 1,-0.2 2,-0.3 0.153 108.2 101.1-114.7 97.9 37.7 3.8 0.5 36 327 A E < - 0 0 100 -3,-2.6 -1,-0.2 1,-0.1 2,-0.1 -0.759 68.3 -93.0-125.4 171.4 37.7 7.6 0.3 37 328 A Q - 0 0 168 -2,-0.3 -4,-0.4 1,-0.1 2,-0.3 -0.398 53.6 -83.9 -79.0 168.7 40.3 10.2 -0.3 38 329 A F + 0 0 40 -6,-0.2 -6,-0.2 -2,-0.1 2,-0.2 -0.578 62.9 157.9 -73.5 133.4 42.2 11.9 2.6 39 330 A G B +G 31 0B 24 -8,-3.1 -8,-1.6 -2,-0.3 4,-0.2 -0.785 10.8 89.3-145.8-177.7 40.2 14.8 4.1 40 331 A G S > S- 0 0 6 -2,-0.2 4,-1.7 -10,-0.2 -11,-0.3 -0.339 84.5 -60.7 111.7 169.4 39.9 16.9 7.3 41 332 A I H > S+ 0 0 0 -13,-3.0 4,-2.1 1,-0.2 -12,-0.2 0.913 133.2 50.3 -51.3 -49.2 41.4 20.1 8.7 42 333 A S H > S+ 0 0 0 -13,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.831 103.0 59.4 -69.8 -32.1 44.9 18.7 8.6 43 334 A A H > S+ 0 0 11 -14,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.915 109.5 44.7 -55.6 -46.0 44.6 17.5 5.0 44 335 A A H X S+ 0 0 28 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.900 111.8 52.2 -64.4 -41.7 44.0 21.2 4.0 45 336 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.920 107.4 52.6 -62.3 -41.1 46.9 22.4 6.3 46 337 A L H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.889 106.5 53.8 -63.0 -36.1 49.3 19.9 4.6 47 338 A Q H X S+ 0 0 122 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.934 108.3 48.0 -64.5 -45.1 48.3 21.3 1.2 48 339 A L H X S+ 0 0 37 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.875 111.1 52.7 -58.2 -45.5 49.1 24.8 2.3 49 340 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 6,-0.4 0.841 102.2 59.4 -51.6 -41.1 52.4 23.4 3.6 50 341 A Q H X S+ 0 0 52 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.926 106.2 47.1 -56.6 -46.0 53.1 21.8 0.2 51 342 A L H < S+ 0 0 139 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.807 112.4 49.9 -60.0 -37.7 52.9 25.3 -1.3 52 343 A R H < S+ 0 0 23 -4,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.670 126.7 24.5 -75.8 -23.7 55.3 26.7 1.4 53 344 A T H < S- 0 0 18 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.2 0.606 91.1-130.4-113.3 -21.1 57.9 23.9 0.9 54 345 A G < + 0 0 65 -4,-2.6 2,-0.2 -5,-0.3 -3,-0.1 0.553 61.8 141.4 67.0 10.9 57.4 22.6 -2.7 55 346 A L - 0 0 4 -6,-0.4 2,-0.3 -5,-0.3 -1,-0.3 -0.562 50.2-137.1 -84.0 145.7 57.3 19.1 -1.2 56 347 A D E -a 17 0A 101 -40,-2.9 -38,-3.1 -2,-0.2 2,-0.5 -0.778 21.3-145.2 -91.0 148.3 54.9 16.3 -2.4 57 348 A F E -a 18 0A 26 -2,-0.3 2,-0.6 -40,-0.2 -38,-0.2 -0.960 7.7-157.9-118.4 126.4 53.3 14.3 0.5 58 349 A E E -a 19 0A 105 -40,-2.8 -38,-3.1 -2,-0.5 2,-0.5 -0.934 22.6-139.9 -99.5 127.6 52.5 10.6 0.3 59 350 A I E -a 20 0A 40 -2,-0.6 2,-0.6 -40,-0.2 -38,-0.2 -0.724 15.7-167.3 -98.4 127.9 49.9 9.9 2.8 60 351 A I E -a 21 0A 25 -40,-3.7 -38,-2.6 -2,-0.5 2,-0.3 -0.912 12.0-154.6-113.5 109.4 50.0 6.7 4.9 61 352 A G E +a 22 0A 29 -2,-0.6 2,-0.3 -40,-0.2 -38,-0.2 -0.651 17.6 173.1 -86.0 133.5 46.7 6.0 6.7 62 353 A V E -a 23 0A 8 -40,-2.7 -38,-3.0 -2,-0.3 -37,-0.3 -0.961 31.3-138.1-134.4 155.0 46.8 3.9 9.9 63 354 A D S S+ 0 0 133 -2,-0.3 2,-0.3 -40,-0.2 -38,-0.3 0.828 80.6 41.6 -77.2 -36.0 44.1 3.1 12.5 64 355 A T S > S- 0 0 66 1,-0.1 4,-1.7 -40,-0.1 5,-0.1 -0.848 70.4-128.8-123.3 154.0 46.0 3.4 15.8 65 356 A V H > S+ 0 0 28 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.832 110.6 62.7 -70.1 -24.7 48.5 5.9 17.3 66 357 A E H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.942 106.9 45.0 -63.7 -44.1 50.8 2.8 18.2 67 358 A E H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 111.7 51.1 -60.1 -44.1 51.0 2.1 14.5 68 359 A L H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.935 112.9 44.9 -66.0 -44.9 51.7 5.7 13.6 69 360 A I H X S+ 0 0 23 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.922 110.8 55.0 -62.4 -44.0 54.5 6.0 16.2 70 361 A A H X S+ 0 0 52 -4,-2.6 4,-2.0 -5,-0.3 6,-0.3 0.909 108.5 48.7 -57.6 -39.7 56.0 2.6 15.0 71 362 A K H X>S+ 0 0 32 -4,-2.2 6,-2.6 2,-0.2 4,-0.7 0.823 111.7 49.1 -71.9 -31.1 56.1 3.9 11.4 72 363 A L H ><5S+ 0 0 7 -4,-1.6 3,-0.6 4,-0.2 -2,-0.2 0.948 113.8 47.2 -67.1 -47.1 57.9 7.2 12.6 73 364 A R H 3<5S+ 0 0 150 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.831 112.0 48.0 -66.8 -33.6 60.4 5.2 14.6 74 365 A S H 3<5S- 0 0 83 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.629 111.2-118.6 -80.5 -14.1 61.1 2.7 11.8 75 366 A G T <<5S+ 0 0 41 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.1 0.456 83.2 119.7 86.7 -0.2 61.6 5.6 9.3 76 367 A E S - 0 0 14 -2,-0.2 3,-2.2 1,-0.1 4,-0.4 -0.912 32.0-150.7-151.2 113.0 51.6 15.3 24.8 87 378 A S G > S+ 0 0 98 -2,-0.3 3,-1.9 1,-0.3 4,-0.3 0.873 95.6 65.2 -63.0 -31.1 54.5 15.7 27.2 88 379 A A G 3 S+ 0 0 74 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.565 103.6 48.3 -62.7 -14.3 54.6 11.9 27.9 89 380 A R G X> S+ 0 0 41 -3,-2.2 4,-3.1 1,-0.1 3,-1.6 0.411 83.3 94.5-102.1 0.5 55.7 11.4 24.3 90 381 A E T <4 S+ 0 0 81 -3,-1.9 -2,-0.1 -4,-0.4 -1,-0.1 0.671 72.6 67.7 -72.6 -13.0 58.4 14.1 24.2 91 382 A S T 34 S+ 0 0 95 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.667 121.7 15.6 -77.6 -19.5 61.1 11.6 25.0 92 383 A F T <4 S+ 0 0 54 -3,-1.6 114,-1.2 1,-0.2 2,-0.3 0.596 124.0 51.5-126.7 -17.2 60.7 10.0 21.6 93 384 A L E < -D 205 0A 1 -4,-3.1 2,-0.4 112,-0.2 112,-0.3 -0.908 60.9-149.5-115.1 150.1 58.6 12.5 19.4 94 385 A S E -D 204 0A 35 110,-2.9 110,-1.9 -2,-0.3 2,-0.4 -0.935 16.5-148.5-103.9 142.3 59.1 16.1 18.6 95 386 A F E -D 203 0A 28 -2,-0.4 108,-0.3 108,-0.2 -11,-0.0 -0.867 9.5-132.0-103.9 146.0 55.9 18.2 18.0 96 387 A S - 0 0 6 106,-2.6 3,-0.1 -2,-0.4 117,-0.1 -0.253 50.7 -66.9 -73.9 173.9 55.8 21.2 15.6 97 388 A R S S- 0 0 114 1,-0.1 105,-0.5 104,-0.1 -1,-0.2 -0.380 71.9 -96.6 -45.6 139.1 54.2 24.6 16.7 98 389 A P - 0 0 41 0, 0.0 103,-0.3 0, 0.0 3,-0.1 -0.283 33.1-169.7 -60.7 145.0 50.5 23.7 17.0 99 390 A Y S S+ 0 0 8 101,-3.1 2,-0.4 1,-0.3 102,-0.2 0.473 79.4 40.2-112.6 -7.0 48.2 24.5 14.1 100 391 A V E +E 200 0A 4 100,-1.6 100,-2.8 2,-0.0 2,-0.4 -0.993 62.4 179.6-133.7 130.8 45.0 23.9 16.1 101 392 A R E +E 199 0A 150 -2,-0.4 2,-0.4 98,-0.2 98,-0.2 -0.982 17.6 163.5-126.5 122.8 44.5 25.0 19.7 102 393 A N E -E 198 0A 20 96,-2.8 96,-2.1 -2,-0.4 -2,-0.0 -0.990 36.2-117.7-151.6 130.9 41.1 24.2 21.1 103 394 A G - 0 0 35 -2,-0.4 69,-2.6 94,-0.3 70,-0.3 -0.310 34.0-123.5 -62.6 147.9 39.4 23.9 24.6 104 395 A M E -H 171 0C 18 91,-0.3 89,-2.9 67,-0.3 2,-0.3 -0.611 28.6-172.5 -92.9 156.0 38.1 20.6 25.6 105 396 A V E -HI 170 192C 8 65,-2.7 65,-1.9 87,-0.3 2,-0.4 -0.846 23.3-114.6-138.1 163.4 34.5 19.9 26.6 106 397 A I E -HI 169 191C 0 85,-2.2 84,-2.9 -2,-0.3 85,-1.0 -0.914 21.7-155.8-103.0 144.5 32.4 17.2 28.1 107 398 A V E +HI 168 189C 0 61,-2.0 61,-1.9 -2,-0.4 2,-0.2 -0.947 19.3 172.9-116.7 134.2 29.6 15.5 26.1 108 399 A T E - I 0 188C 0 80,-2.4 80,-2.5 -2,-0.4 59,-0.2 -0.758 37.5 -86.4-130.2 172.7 26.8 13.9 28.0 109 400 A R E - I 0 187C 40 57,-0.5 2,-1.3 -2,-0.2 78,-0.3 -0.452 40.8-112.9 -72.9 164.4 23.4 12.3 27.1 110 401 A Q S S+ 0 0 104 76,-2.1 77,-0.1 -2,-0.1 -1,-0.1 -0.657 76.5 118.8 -91.8 69.3 20.4 14.6 26.8 111 402 A D S > S- 0 0 59 -2,-1.3 3,-1.7 1,-0.1 -2,-0.0 -0.933 77.4-107.8-138.1 164.5 18.7 13.1 29.7 112 403 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.861 115.0 49.9 -69.6 -27.0 17.6 14.5 33.0 113 404 A D T 3 S+ 0 0 130 2,-0.1 3,-0.1 -3,-0.0 -3,-0.0 0.445 82.2 120.3 -86.2 3.7 20.3 12.9 35.1 114 405 A A S < S- 0 0 14 -3,-1.7 53,-0.1 1,-0.1 -6,-0.1 -0.380 80.1 -92.6 -64.3 145.0 23.3 13.9 32.9 115 406 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.320 32.2-144.4 -54.2 134.1 26.0 16.0 34.5 116 407 A V S S- 0 0 85 1,-0.2 2,-0.3 4,-0.1 -8,-0.1 0.849 70.6 -23.8 -75.4 -29.1 25.0 19.6 33.8 117 408 A D S > S- 0 0 43 74,-0.1 3,-2.0 1,-0.0 -1,-0.2 -0.937 80.8 -73.2-166.3-177.5 28.6 20.7 33.4 118 409 A A G > S+ 0 0 3 74,-0.5 3,-0.6 1,-0.3 75,-0.1 0.705 122.9 62.0 -68.0 -17.3 32.3 19.9 34.3 119 410 A D G 3 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.457 96.6 62.4 -85.7 -1.1 31.7 21.1 38.0 120 411 A H G < + 0 0 103 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.1 -0.183 68.7 106.1-116.1 47.1 29.1 18.3 38.4 121 412 A L X + 0 0 3 -3,-0.6 3,-2.8 -6,-0.1 25,-0.4 0.442 36.5 136.4-103.5 1.3 31.4 15.3 37.8 122 413 A D T 3 S- 0 0 124 1,-0.3 23,-0.2 -3,-0.2 3,-0.1 -0.267 88.9 -7.2 -57.2 122.4 31.7 14.0 41.5 123 414 A G T 3 S+ 0 0 40 21,-2.4 -1,-0.3 1,-0.2 2,-0.3 0.574 108.2 130.7 65.7 6.5 31.3 10.2 41.5 124 415 A R < - 0 0 64 -3,-2.8 22,-3.1 20,-0.2 2,-0.6 -0.664 62.7-115.9 -91.9 154.7 30.4 10.4 37.7 125 416 A T E -j 146 0C 34 -2,-0.3 42,-1.5 20,-0.2 41,-1.4 -0.787 29.6-169.3 -95.2 117.2 32.0 8.2 35.1 126 417 A V E -jk 147 167C 0 20,-3.3 22,-2.4 -2,-0.6 2,-0.4 -0.946 9.4-148.8-107.0 120.9 34.0 10.2 32.5 127 418 A A E +jk 148 168C 0 40,-3.4 42,-2.2 -2,-0.5 2,-0.3 -0.712 20.2 172.3 -87.8 135.7 35.3 8.4 29.4 128 419 A L E -j 149 0C 2 20,-2.0 22,-1.5 -2,-0.4 2,-0.1 -0.972 42.8 -92.0-134.7 155.4 38.6 9.4 27.7 129 420 A V E > -j 150 0C 35 40,-0.4 3,-2.2 -2,-0.3 22,-0.2 -0.457 59.8 -93.0 -62.1 134.7 40.6 7.8 24.9 130 421 A R T 3 S+ 0 0 102 20,-3.3 -1,-0.1 1,-0.3 19,-0.0 -0.238 110.2 10.0 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-0.948 31.7-115.8-137.5 164.1 38.1 3.6 25.4 151 442 A D S S- 0 0 98 -2,-0.3 -22,-0.1 -22,-0.2 -1,-0.1 0.782 89.6 -11.9 -69.2 -33.7 40.1 2.5 22.4 152 443 A N S > S- 0 0 69 -88,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.921 80.9 -83.0-162.4 172.8 39.3 5.5 20.3 153 444 A P H > S+ 0 0 25 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.897 122.4 53.7 -65.4 -31.6 37.1 8.6 20.0 154 445 A S H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.923 110.7 44.8 -60.9 -52.8 34.1 6.6 18.4 155 446 A E H > S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.829 112.8 52.7 -57.7 -42.4 34.0 4.0 21.2 156 447 A A H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.909 110.6 46.1 -60.5 -45.9 34.3 6.8 23.8 157 448 A M H >X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 3,-0.6 0.935 112.7 52.1 -62.8 -47.0 31.3 8.7 22.3 158 449 A L H 3X S+ 0 0 76 -4,-2.4 4,-2.6 1,-0.2 6,-0.2 0.771 99.1 63.0 -61.1 -30.8 29.4 5.4 22.1 159 450 A M H 3X>S+ 0 0 30 -4,-1.6 5,-2.9 2,-0.2 6,-1.4 0.893 108.7 42.3 -60.8 -39.4 30.0 4.6 25.8 160 451 A V H X<5S+ 0 0 0 -4,-1.1 3,-0.7 -3,-0.6 -2,-0.2 0.963 114.9 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35.7 -60.4 -52.2 31.6 17.2 14.8 178 469 A Y H X>S+ 0 0 5 -4,-2.9 4,-2.4 2,-0.2 5,-0.7 0.869 119.1 49.8 -71.2 -43.5 30.5 13.8 16.3 179 470 A V H X5S+ 0 0 10 -4,-3.0 4,-1.9 -5,-0.3 7,-0.2 0.972 114.5 42.5 -60.7 -57.0 27.4 15.2 18.1 180 471 A N H <5S+ 0 0 107 -4,-2.1 4,-0.3 -5,-0.3 -2,-0.2 0.900 122.9 38.2 -60.6 -41.5 26.0 17.1 15.1 181 472 A R H <5S+ 0 0 144 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.791 134.2 11.8 -79.9 -33.3 26.7 14.2 12.6 182 473 A Y H <5S+ 0 0 108 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.685 129.8 32.2-120.7 -20.6 26.0 11.1 14.6 183 474 A F >X< + 0 0 28 -4,-1.9 4,-2.5 -5,-0.7 3,-2.4 -0.065 66.5 153.1-133.7 26.9 24.2 11.8 17.9 184 475 A A T 34 S+ 0 0 75 1,-0.3 4,-0.1 -4,-0.3 -4,-0.1 -0.361 80.5 16.1 -64.3 137.6 22.0 14.8 17.3 185 476 A G T 34 S+ 0 0 62 2,-0.4 -1,-0.3 1,-0.1 -75,-0.1 0.260 126.1 61.3 82.9 -21.6 19.1 14.6 19.7 186 477 A K T <4 S+ 0 0 85 -3,-2.4 -76,-2.1 -7,-0.2 2,-0.3 0.768 105.5 28.2-107.0 -35.7 20.9 12.0 21.8 187 478 A L E < -I 109 0C 1 -4,-2.5 -2,-0.4 -78,-0.3 2,-0.3 -0.830 61.9-169.7-124.6 162.0 24.1 13.8 23.1 188 479 A R E -I 108 0C 75 -80,-2.5 -80,-2.4 -2,-0.3 2,-0.6 -0.990 33.4-106.9-149.8 157.4 25.1 17.3 23.9 189 480 A I E -I 107 0C 63 -2,-0.3 -82,-0.3 -82,-0.2 3,-0.1 -0.755 35.1-175.2 -76.9 118.2 28.0 19.5 24.7 190 481 A A E - 0 0 19 -84,-2.9 2,-0.3 -2,-0.6 -1,-0.2 0.908 51.9 -48.3 -85.7 -49.4 27.5 20.2 28.4 191 482 A S E -I 106 0C 30 -85,-1.0 -85,-2.2 -74,-0.1 -1,-0.4 -0.979 59.0 -74.3-168.7 173.3 30.4 22.6 29.1 192 483 A A E -I 105 0C 70 -2,-0.3 -74,-0.5 -87,-0.2 2,-0.3 -0.343 46.1-121.6 -67.3 154.1 34.0 23.5 28.7 193 484 A L - 0 0 14 -89,-2.9 2,-1.6 2,-0.1 -89,-0.2 -0.785 17.4-122.9 -96.5 143.8 36.6 21.7 30.9 194 485 A D S S+ 0 0 98 -2,-0.3 -89,-0.1 -91,-0.1 -2,-0.0 -0.495 77.3 111.9 -81.7 64.9 38.8 23.8 33.2 195 486 A L S S- 0 0 21 -2,-1.6 -91,-0.3 -91,-0.2 -2,-0.1 -0.947 81.6 -83.9-136.2 148.9 41.9 22.3 31.6 196 487 A P - 0 0 79 0, 0.0 -92,-0.1 0, 0.0 -94,-0.1 -0.254 62.9 -91.8 -50.8 143.8 44.7 23.7 29.3 197 488 A P - 0 0 69 0, 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115.5 66.9 -53.1 -38.0 63.5 13.6 18.0 207 498 A G T 3 S+ 0 0 57 -115,-0.2 2,-2.2 1,-0.2 -1,-0.2 0.793 73.4 101.0 -52.0 -16.6 66.4 13.0 15.5 208 499 A Q <> + 0 0 54 -3,-1.5 4,-2.2 1,-0.2 5,-0.4 -0.310 34.3 155.1 -91.5 65.7 64.8 15.2 12.8 209 500 A T H > S+ 0 0 105 -2,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.902 74.2 37.6 -50.9 -59.2 66.6 18.5 12.9 210 501 A E H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.909 116.7 47.9 -67.9 -48.5 66.0 19.7 9.2 211 502 A L H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.947 114.0 46.5 -65.5 -44.1 62.5 18.4 8.6 212 503 A M H X S+ 0 0 18 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.913 112.3 49.6 -63.5 -41.1 61.1 19.8 11.8 213 504 A S H X S+ 0 0 36 -4,-2.0 4,-2.4 -5,-0.4 5,-0.3 0.938 111.5 51.1 -62.2 -40.1 62.7 23.2 11.3 214 505 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.954 111.5 47.5 -59.4 -45.1 61.3 23.1 7.7 215 506 A L H X S+ 0 0 0 -4,-2.9 4,-3.4 2,-0.2 5,-0.2 0.921 112.0 49.7 -63.3 -42.9 57.8 22.3 9.1 216 507 A N H X S+ 0 0 48 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.904 112.6 45.8 -62.3 -44.1 58.0 25.1 11.7 217 508 A K H X S+ 0 0 61 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.926 115.4 47.6 -63.8 -43.7 59.1 27.7 9.2 218 509 A A H < S+ 0 0 0 -4,-2.6 3,-0.4 -5,-0.3 -2,-0.2 0.927 113.2 47.7 -68.8 -39.5 56.4 26.6 6.8 219 510 A L H >< S+ 0 0 11 -4,-3.4 3,-2.3 1,-0.2 -1,-0.2 0.928 106.2 58.5 -63.2 -45.4 53.8 26.6 9.6 220 511 A Y H 3< S+ 0 0 169 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.834 99.7 58.4 -50.1 -35.6 54.9 30.0 10.7 221 512 A S T 3< S+ 0 0 21 -4,-1.4 2,-0.5 -3,-0.4 -1,-0.3 0.358 86.6 90.6 -83.4 6.8 54.1 31.4 7.2 222 513 A I S < S- 0 0 10 -3,-2.3 -173,-0.0 -4,-0.1 -177,-0.0 -0.921 77.1-135.9 -99.0 124.6 50.5 30.3 7.5 223 514 A S > - 0 0 50 -2,-0.5 4,-1.9 1,-0.1 5,-0.1 -0.282 17.2-117.0 -78.9 162.0 48.3 33.1 9.0 224 515 A N H > S+ 0 0 139 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.856 116.6 59.6 -62.9 -34.5 45.7 32.6 11.6 225 516 A D H > S+ 0 0 130 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 105.6 47.9 -56.1 -50.2 43.1 33.9 9.1 226 517 A E H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.947 115.0 45.7 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