==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-AUG-07 2QZ4 . COMPND 2 MOLECULE: PARAPLEGIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KARLBERG,L.LEHTIO,C.H.ARROWSMITH,H.BERGLUND,R.D.BUSAM,R.CO . 223 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 11.2 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 38.1 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 0 0 1 1 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 3 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 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 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 1 304 A M 0 0 212 0, 0.0 3,-0.1 0, 0.0 55,-0.0 0.000 360.0 360.0 360.0 143.4 1.2 43.0 9.5 2 305 A G - 0 0 41 1,-0.2 2,-0.1 50,-0.1 51,-0.0 0.140 360.0 -40.6 -91.5-167.7 2.3 39.3 9.0 3 306 A V + 0 0 39 3,-0.1 53,-0.4 2,-0.1 -1,-0.2 -0.412 66.5 171.3 -55.3 126.7 4.8 36.9 10.4 4 307 A S > - 0 0 11 -2,-0.1 3,-1.1 52,-0.1 4,-0.3 -0.691 52.1 -84.5-128.4-175.0 8.2 38.6 11.0 5 308 A F T 3 S+ 0 0 39 48,-0.3 3,-0.4 1,-0.2 -2,-0.1 0.688 123.3 65.9 -65.4 -20.2 11.5 37.8 12.6 6 309 A K T 3 S+ 0 0 158 1,-0.2 -1,-0.2 47,-0.1 -3,-0.1 0.786 100.9 48.1 -68.7 -32.2 10.0 38.9 15.9 7 310 A D S < S+ 0 0 61 -3,-1.1 2,-0.7 42,-0.1 -1,-0.2 0.505 97.2 82.2 -85.7 -9.2 7.7 35.9 15.8 8 311 A V S S- 0 0 2 -3,-0.4 2,-0.3 -4,-0.3 -1,-0.1 -0.864 71.0-157.2-103.3 103.3 10.5 33.6 14.9 9 312 A A - 0 0 19 -2,-0.7 153,-0.1 153,-0.1 2,-0.1 -0.601 56.1 -16.9 -87.9 146.7 12.3 32.6 18.1 10 313 A G S S+ 0 0 0 -2,-0.3 5,-0.1 1,-0.1 -2,-0.1 -0.388 78.1 118.9 62.2-143.0 15.9 31.3 18.0 11 314 A M > + 0 0 22 1,-0.1 4,-2.1 -2,-0.1 5,-0.1 0.875 33.9 159.1 55.2 43.7 17.1 30.2 14.7 12 315 A H H > + 0 0 100 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.864 68.0 47.5 -72.0 -39.5 19.8 32.9 14.8 13 316 A E H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 111.9 50.4 -67.3 -43.9 22.2 31.4 12.2 14 317 A A H > S+ 0 0 7 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.868 107.9 54.0 -61.4 -42.6 19.3 30.7 9.7 15 318 A K H X S+ 0 0 38 -4,-2.1 4,-0.8 2,-0.2 3,-0.3 0.898 108.8 48.8 -55.0 -44.6 18.2 34.4 10.1 16 319 A L H < S+ 0 0 117 -4,-1.6 4,-0.4 1,-0.2 3,-0.4 0.888 110.9 52.6 -61.7 -37.4 21.7 35.5 9.2 17 320 A E H < S+ 0 0 77 -4,-1.8 3,-0.2 1,-0.2 -2,-0.2 0.731 109.3 45.1 -74.2 -23.2 21.6 33.1 6.2 18 321 A V H >X S+ 0 0 0 -4,-1.4 4,-1.8 -3,-0.3 3,-0.8 0.532 88.2 93.2 -98.2 -4.0 18.3 34.4 4.6 19 322 A R H 3X S+ 0 0 96 -4,-0.8 4,-3.0 -3,-0.4 5,-0.2 0.864 78.1 58.6 -47.8 -49.7 19.4 38.0 5.1 20 323 A E H 3> S+ 0 0 79 -4,-0.4 4,-2.0 -3,-0.2 -1,-0.2 0.816 106.1 49.4 -54.9 -35.7 20.8 38.2 1.6 21 324 A F H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.894 110.1 50.0 -73.2 -40.9 17.4 37.3 0.2 22 325 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.939 113.6 46.9 -56.1 -47.5 15.7 40.0 2.4 23 326 A D H X S+ 0 0 74 -4,-3.0 4,-1.2 2,-0.2 -2,-0.2 0.907 112.7 49.0 -64.0 -41.5 18.3 42.5 1.1 24 327 A Y H >< S+ 0 0 26 -4,-2.0 3,-0.6 -5,-0.2 -2,-0.2 0.955 111.1 47.9 -63.5 -49.8 17.9 41.4 -2.5 25 328 A L H 3< S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.832 107.5 57.6 -61.0 -35.4 14.1 41.6 -2.5 26 329 A K H 3< S- 0 0 123 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.772 131.7 -0.7 -67.2 -30.8 14.3 45.1 -0.9 27 330 A S << - 0 0 75 -4,-1.2 2,-0.6 -3,-0.6 -1,-0.2 -0.442 63.7-156.0-161.3 87.8 16.3 46.4 -3.8 28 331 A P 0 0 32 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.533 360.0 360.0 -58.1 110.6 17.4 44.2 -6.7 29 332 A E 0 0 140 -2,-0.6 -2,-0.1 0, 0.0 0, 0.0 -0.897 360.0 360.0 125.3 360.0 20.4 46.3 -7.8 30 ! 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 31 339 A A 0 0 161 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.1 27.7 40.1 -6.6 32 340 A K - 0 0 105 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.782 360.0-108.5 -95.6 139.0 25.9 37.1 -7.9 33 341 A V - 0 0 58 -2,-0.4 2,-0.2 1,-0.1 -1,-0.0 -0.491 33.5-129.0 -69.9 118.4 22.1 37.2 -8.4 34 342 A P + 0 0 10 0, 0.0 89,-0.1 0, 0.0 88,-0.1 -0.493 29.0 175.7 -70.0 137.9 20.3 35.2 -5.8 35 343 A K - 0 0 31 1,-0.4 90,-2.6 109,-0.2 2,-0.3 0.656 53.2 -94.0-104.6 -34.2 17.7 32.7 -7.1 36 344 A G E -a 125 0A 0 88,-0.3 110,-2.0 108,-0.2 111,-0.6 -0.955 35.1 -95.7 150.2-163.1 16.9 31.1 -3.7 37 345 A A E -ab 126 147A 0 88,-1.7 90,-2.6 -2,-0.3 2,-0.5 -0.985 17.0-118.2-153.8 153.2 17.5 28.4 -1.2 38 346 A L E -ab 127 148A 0 109,-2.1 111,-2.5 -2,-0.3 2,-0.6 -0.846 21.9-154.5 -90.2 128.2 16.6 25.0 0.3 39 347 A L E -ab 128 149A 0 88,-3.4 90,-1.6 -2,-0.5 2,-0.4 -0.952 22.0-171.1-101.9 117.3 15.5 24.9 3.9 40 348 A L E +ab 129 150A 4 109,-2.8 111,-3.2 -2,-0.6 90,-0.2 -0.943 25.5 80.9-116.1 134.5 16.3 21.4 5.2 41 349 A G S S- 0 0 3 88,-2.0 111,-0.2 -2,-0.4 88,-0.1 -0.878 70.1 -40.7 158.2 178.5 15.4 19.8 8.5 42 350 A P > - 0 0 34 0, 0.0 3,-0.7 0, 0.0 2,-0.1 -0.062 69.2 -84.7 -65.6 160.0 12.8 18.0 10.7 43 351 A P T 3 S+ 0 0 86 0, 0.0 150,-0.1 0, 0.0 148,-0.0 -0.359 104.7 24.6 -68.4 147.6 9.2 19.0 10.8 44 352 A G T 3 S+ 0 0 32 147,-0.1 149,-1.8 148,-0.1 148,-0.6 0.648 83.3 118.9 82.0 19.8 7.8 21.7 13.0 45 353 A C S < S- 0 0 12 -3,-0.7 -1,-0.0 147,-0.2 107,-0.0 0.194 89.4 -93.6-110.8 18.3 11.0 23.6 13.3 46 354 A G S > S+ 0 0 19 3,-0.0 4,-2.7 105,-0.0 5,-0.2 0.600 79.4 132.8 91.3 11.1 10.1 26.9 11.7 47 355 A K H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.958 84.5 40.1 -57.8 -51.2 11.0 26.5 8.0 48 356 A T H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.926 114.1 53.2 -64.1 -46.4 7.7 27.8 6.8 49 357 A L H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.911 110.4 48.4 -53.7 -45.5 7.6 30.5 9.6 50 358 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.909 109.6 51.1 -63.0 -44.3 11.1 31.7 8.5 51 359 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.880 112.1 48.0 -61.5 -41.4 10.1 31.9 4.7 52 360 A K H X S+ 0 0 89 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.903 110.4 52.2 -62.1 -41.2 7.0 33.9 5.7 53 361 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -48,-0.3 0.884 103.8 56.4 -63.2 -44.1 9.2 36.2 7.8 54 362 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.865 108.9 47.6 -55.0 -38.0 11.6 36.8 4.9 55 363 A A H X>S+ 0 0 2 -4,-1.2 5,-3.0 2,-0.2 4,-1.2 0.923 113.7 46.9 -70.5 -42.0 8.7 38.0 2.8 56 364 A T H <5S+ 0 0 29 -4,-2.0 -2,-0.2 -53,-0.4 -1,-0.2 0.895 111.0 51.6 -66.0 -41.4 7.4 40.3 5.6 57 365 A E H <5S+ 0 0 80 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.900 115.4 40.8 -66.0 -43.2 10.8 41.7 6.3 58 366 A A H <5S- 0 0 7 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.632 111.5-127.0 -75.2 -18.2 11.4 42.6 2.6 59 367 A Q T <5 + 0 0 159 -4,-1.2 -3,-0.2 1,-0.3 -4,-0.1 0.901 64.8 124.9 75.9 40.2 7.8 43.7 2.5 60 368 A V < - 0 0 27 -5,-3.0 -1,-0.3 -6,-0.1 35,-0.2 -0.816 64.2 -79.8-128.2 167.0 6.8 41.6 -0.5 61 369 A P - 0 0 37 0, 0.0 35,-2.6 0, 0.0 2,-0.5 -0.256 32.0-142.5 -66.0 156.4 4.2 39.0 -1.3 62 370 A F E -c 96 0A 55 33,-0.2 2,-0.4 35,-0.0 35,-0.2 -0.995 16.4-173.5-122.3 118.8 4.5 35.4 -0.3 63 371 A L E -c 97 0A 8 33,-2.3 35,-3.2 -2,-0.5 2,-0.3 -0.971 10.9-164.3-120.9 122.8 3.2 32.8 -2.8 64 372 A A E -c 98 0A 61 -2,-0.4 2,-0.4 33,-0.2 35,-0.2 -0.795 17.5-178.1-118.8 144.6 3.1 29.2 -1.7 65 373 A M E -c 99 0A 11 33,-2.6 35,-1.9 -2,-0.3 2,-0.4 -0.961 25.7-131.6-133.8 131.6 2.8 25.8 -3.4 66 374 A A E > -c 100 0A 36 -2,-0.4 3,-2.2 33,-0.2 35,-0.2 -0.668 17.7-128.0 -77.1 127.6 2.7 22.6 -1.5 67 375 A G T 3> S+ 0 0 11 33,-3.3 4,-0.8 -2,-0.4 -1,-0.1 0.714 108.4 72.5 -36.7 -30.5 5.0 19.8 -2.7 68 376 A A T 34 S+ 0 0 80 32,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.177 81.7 71.7 -80.4 17.0 1.8 17.7 -2.7 69 377 A E T <4 S+ 0 0 76 -3,-2.2 -1,-0.2 9,-0.0 3,-0.1 -0.759 98.9 47.6-121.1 79.3 0.6 19.7 -5.8 70 378 A F T 4 S+ 0 0 69 1,-0.4 8,-0.3 -2,-0.3 36,-0.2 -0.071 70.5 112.6-178.4 -69.3 3.2 17.9 -7.9 71 379 A V S < S- 0 0 86 -4,-0.8 2,-1.4 1,-0.2 -1,-0.4 -0.026 80.6-112.6 -38.0 117.1 3.0 14.2 -7.3 72 380 A E S S+ 0 0 90 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.446 74.7 124.4 -72.9 89.9 1.7 13.0 -10.6 73 381 A V S S+ 0 0 116 -2,-1.4 2,-0.6 1,-0.3 -1,-0.2 0.675 76.3 42.8-105.7 -36.9 -1.8 11.7 -10.0 74 382 A I S >> S- 0 0 99 -3,-0.4 3,-1.8 0, 0.0 4,-0.6 -0.935 97.5-114.5-115.2 114.0 -3.5 13.9 -12.6 75 383 A G T 34 S- 0 0 74 -2,-0.6 -3,-0.0 1,-0.3 -2,-0.0 -0.119 90.0 -5.9 -52.8 130.0 -1.6 14.3 -15.9 76 384 A G T 3> S+ 0 0 29 1,-0.1 4,-1.9 4,-0.0 -1,-0.3 0.269 102.3 108.1 74.4 -14.7 -0.3 17.7 -16.8 77 385 A L H <> S+ 0 0 60 -3,-1.8 4,-2.2 1,-0.2 5,-0.2 0.935 76.1 47.9 -68.9 -45.9 -2.0 19.4 -13.8 78 386 A G H X S+ 0 0 7 -4,-0.6 4,-2.8 -8,-0.3 -1,-0.2 0.897 111.3 51.4 -60.9 -42.2 1.1 20.0 -11.7 79 387 A A H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 110.0 50.2 -60.8 -43.8 3.0 21.5 -14.6 80 388 A A H X S+ 0 0 31 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.870 111.6 47.3 -61.8 -41.9 0.1 23.8 -15.3 81 389 A R H X S+ 0 0 111 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.902 110.7 52.6 -67.7 -42.2 -0.0 25.0 -11.6 82 390 A V H X S+ 0 0 3 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.917 109.7 48.8 -55.1 -46.2 3.8 25.5 -11.6 83 391 A R H X S+ 0 0 128 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.930 111.6 48.4 -61.4 -48.0 3.5 27.7 -14.6 84 392 A S H X S+ 0 0 78 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.890 110.2 54.2 -57.4 -42.6 0.6 29.8 -13.1 85 393 A L H X S+ 0 0 13 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.920 111.3 42.5 -56.7 -49.2 2.6 30.2 -9.9 86 394 A F H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.754 112.7 53.1 -78.6 -24.7 5.7 31.6 -11.6 87 395 A K H X S+ 0 0 150 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.910 111.2 46.1 -71.0 -47.0 3.7 33.8 -13.9 88 396 A E H X S+ 0 0 91 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.923 112.4 53.5 -57.4 -40.6 1.8 35.3 -10.8 89 397 A A H < S+ 0 0 0 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.916 108.9 47.2 -64.2 -44.1 5.3 35.6 -9.2 90 398 A R H >< S+ 0 0 93 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.900 113.8 48.0 -63.3 -37.9 6.8 37.5 -12.1 91 399 A A H 3< S+ 0 0 89 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.847 117.6 41.0 -72.3 -33.5 3.7 39.8 -12.2 92 400 A R T 3< S+ 0 0 122 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.319 100.7 179.3 -96.8 8.9 3.8 40.5 -8.4 93 401 A A < + 0 0 33 -3,-0.7 30,-0.1 -4,-0.4 2,-0.1 -0.185 52.1 55.3 -64.3 152.1 7.6 40.8 -8.2 94 402 A P S S+ 0 0 44 0, 0.0 2,-0.3 0, 0.0 29,-0.2 0.522 92.0 120.0 -66.2 145.3 9.7 41.3 -6.1 95 403 A C E - d 0 123A 0 27,-1.3 29,-1.8 -35,-0.2 2,-0.4 -0.981 59.8-102.3-166.5 169.6 8.3 38.4 -4.1 96 404 A I E -cd 62 124A 0 -35,-2.6 -33,-2.3 -2,-0.3 2,-0.5 -0.875 18.8-161.4-105.6 134.7 8.9 35.0 -2.5 97 405 A V E -cd 63 125A 0 27,-2.5 29,-2.6 -2,-0.4 2,-0.5 -0.993 15.7-162.8-109.4 123.3 7.7 31.7 -4.0 98 406 A Y E -cd 64 126A 2 -35,-3.2 -33,-2.6 -2,-0.5 2,-0.7 -0.929 11.2-164.9-114.6 121.9 7.7 29.0 -1.3 99 407 A I E -cd 65 127A 10 27,-2.9 29,-2.7 -2,-0.5 2,-0.5 -0.903 18.9-150.7-106.9 109.5 7.6 25.3 -2.1 100 408 A D E -c 66 0A 58 -35,-1.9 -33,-3.3 -2,-0.7 -32,-0.3 -0.664 53.0 -17.5 -86.1 118.7 6.6 23.5 1.0 101 409 A E 0 0 48 -2,-0.5 28,-0.2 -35,-0.2 -1,-0.2 0.865 360.0 360.0 61.4 60.7 7.8 20.0 1.6 102 410 A I 0 0 56 26,-1.3 27,-0.2 -3,-0.3 -1,-0.1 0.525 360.0 360.0 -67.4 360.0 9.2 17.8 -1.1 103 ! 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 0.0 104 430 A E > 0 0 156 0, 0.0 4,-4.2 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 68.5 8.8 14.2 -14.1 105 431 A Q H > + 0 0 132 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.856 360.0 43.9 -45.4 -49.2 6.5 16.7 -15.9 106 432 A T H > S+ 0 0 15 -36,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.892 118.6 43.4 -68.9 -40.5 5.8 18.8 -12.8 107 433 A L H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.949 113.3 51.7 -71.2 -47.3 9.5 18.7 -11.6 108 434 A N H X S+ 0 0 79 -4,-4.2 4,-2.1 1,-0.2 -2,-0.2 0.890 107.9 52.6 -54.7 -41.3 10.8 19.4 -15.1 109 435 A Q H X S+ 0 0 36 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.924 109.2 49.4 -58.8 -45.2 8.4 22.4 -15.4 110 436 A L H X S+ 0 0 18 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.947 110.1 50.2 -60.2 -46.2 9.8 23.8 -12.1 111 437 A L H X S+ 0 0 15 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.860 110.6 51.5 -57.1 -37.2 13.4 23.3 -13.4 112 438 A V H X S+ 0 0 88 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.920 109.3 48.9 -65.4 -47.7 12.3 25.2 -16.6 113 439 A E H < S+ 0 0 19 -4,-2.8 4,-0.3 2,-0.2 -2,-0.2 0.925 116.1 44.5 -58.0 -42.5 10.8 28.1 -14.5 114 440 A M H >< S+ 0 0 1 -4,-2.5 3,-1.6 2,-0.2 -2,-0.2 0.948 113.1 47.2 -67.8 -51.9 14.1 28.2 -12.5 115 441 A D H 3< S+ 0 0 81 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.841 110.8 56.2 -57.5 -31.1 16.5 27.9 -15.4 116 442 A G T 3< S+ 0 0 56 -4,-2.2 2,-0.6 -5,-0.2 -1,-0.3 0.552 80.8 109.4 -78.6 -11.0 14.4 30.6 -17.1 117 443 A M < + 0 0 14 -3,-1.6 2,-0.1 -4,-0.3 -3,-0.0 -0.584 48.0 174.5 -68.2 114.9 14.8 33.0 -14.2 118 444 A G > - 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0 0 8 -36,-0.5 2,-1.1 -38,-0.4 3,-0.1 -0.274 20.8-128.8 -60.8 139.9 1.3 30.1 32.9 211 544 A N >> - 0 0 71 1,-0.2 4,-2.2 -9,-0.1 3,-0.5 -0.807 34.5-175.3 -83.2 90.5 -0.2 27.2 34.8 212 545 A F H 3> S+ 0 0 56 -2,-1.1 4,-3.0 1,-0.3 5,-0.2 0.904 72.0 56.2 -66.3 -44.7 3.2 25.6 35.2 213 546 A E H 3> S+ 0 0 118 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.795 111.4 45.5 -60.5 -31.9 2.2 22.3 36.9 214 547 A Y H <> S+ 0 0 29 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.893 110.0 53.4 -74.7 -45.7 -0.2 21.6 34.0 215 548 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.942 108.5 51.6 -50.7 -46.5 2.4 22.5 31.4 216 549 A V H X S+ 0 0 21 -4,-3.0 4,-1.9 1,-0.2 3,-0.3 0.923 107.2 52.6 -61.7 -46.5 4.8 20.1 33.1 217 550 A E H X S+ 0 0 104 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.903 110.0 48.0 -50.2 -49.0 2.2 17.3 32.9 218 551 A R H X S+ 0 0 97 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.789 107.2 56.5 -67.5 -28.2 1.7 17.8 29.2 219 552 A V H X S+ 0 0 0 -4,-1.7 4,-1.3 -3,-0.3 -1,-0.2 0.925 109.4 45.2 -67.1 -43.2 5.5 17.8 28.6 220 553 A L H X S+ 0 0 107 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.824 114.2 49.6 -71.1 -33.6 5.8 14.4 30.2 221 554 A A H >X S+ 0 0 46 -4,-1.9 4,-1.2 -5,-0.2 3,-0.8 0.950 113.4 46.1 -63.7 -50.2 2.7 13.1 28.2 222 555 A G H 3< S+ 0 0 13 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.689 97.9 72.2 -68.2 -21.4 4.2 14.4 25.0 223 556 A T H 3< S+ 0 0 80 -4,-1.3 -1,-0.2 2,-0.1 3,-0.2 0.874 101.4 44.8 -60.9 -38.2 7.6 12.9 25.8 224 557 A A H << S- 0 0 94 -3,-0.8 2,-0.4 -4,-0.8 -2,-0.2 0.996 139.7 -10.2 -65.0 -68.9 6.1 9.5 25.1 225 558 A K < 0 0 82 -4,-1.2 -1,-0.3 1,-0.1 -2,-0.1 -0.982 360.0 360.0-137.3 126.9 4.3 10.4 21.9 226 559 A K 0 0 128 -2,-0.4 -1,-0.1 -3,-0.2 -3,-0.1 0.823 360.0 360.0 -81.5 360.0 3.8 14.0 20.7