==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 18-APR-08 3CVL . COMPND 2 MOLECULE: PEROXISOME TARGETING SIGNAL 1 RECEPTOR PEX5; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR P.SAMPATHKUMAR,C.ROACH,P.A.M MICHELS,W.G.J.HOL . 299 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13530.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 76.6 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 . 13 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 0 0 0 0 1 0 5 5 0 1 1 1 0 0 0 0 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 1 336 A T 0 0 186 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -2.4 0.9 9.5 -8.6 2 337 A D + 0 0 95 67,-0.1 67,-0.1 1,-0.0 0, 0.0 0.510 360.0 72.4 -96.5 -11.3 2.9 7.4 -6.1 3 338 A Y S S- 0 0 5 66,-0.1 2,-2.2 67,-0.0 -1,-0.0 -0.933 87.1-129.5-107.8 124.7 -0.1 6.8 -4.0 4 339 A P - 0 0 59 0, 0.0 3,-0.1 0, 0.0 62,-0.0 -0.449 30.1-157.7 -78.2 73.3 -2.6 4.3 -5.5 5 340 A F - 0 0 57 -2,-2.2 2,-0.3 1,-0.1 30,-0.0 -0.165 23.4-107.3 -51.3 138.7 -5.8 6.4 -5.1 6 341 A E - 0 0 19 1,-0.1 -1,-0.1 29,-0.1 3,-0.1 -0.556 23.2-151.4 -73.0 127.2 -9.0 4.4 -5.1 7 342 A A S S+ 0 0 83 -2,-0.3 2,-1.6 1,-0.2 -1,-0.1 0.929 85.5 63.8 -70.0 -44.3 -10.9 5.0 -8.4 8 343 A N S S+ 0 0 88 240,-0.2 240,-0.3 1,-0.0 -1,-0.2 -0.577 71.2 146.6 -85.8 83.1 -14.4 4.4 -7.0 9 344 A N > - 0 0 10 -2,-1.6 3,-1.6 1,-0.1 4,-0.3 -0.836 31.2-177.3-128.6 99.6 -14.6 7.4 -4.6 10 345 A P G >> S+ 0 0 67 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.695 82.2 71.5 -68.4 -19.3 -17.8 9.2 -3.9 11 346 A Y G 34 S+ 0 0 26 1,-0.2 -2,-0.0 2,-0.2 21,-0.0 0.529 78.9 72.4 -69.9 -18.1 -16.0 11.5 -1.7 12 347 A M G <4 S+ 0 0 93 -3,-1.6 -1,-0.2 1,-0.2 24,-0.0 0.832 97.8 51.8 -64.8 -30.9 -14.3 13.2 -4.6 13 348 A Y T <4 S+ 0 0 205 -3,-0.9 -2,-0.2 -4,-0.3 -1,-0.2 0.788 92.8 98.9 -74.7 -28.8 -17.6 14.8 -5.4 14 349 A H < - 0 0 78 -4,-0.5 -3,-0.0 1,-0.1 0, 0.0 0.102 69.6-136.1 -67.8 174.4 -18.2 16.2 -1.9 15 350 A E S S+ 0 0 173 1,-0.1 -1,-0.1 2,-0.0 3,-0.1 0.747 96.3 20.5-100.3 -29.4 -17.5 19.7 -0.7 16 351 A N > + 0 0 65 1,-0.1 4,-1.6 2,-0.1 3,-0.2 -0.408 65.3 157.4-143.0 59.3 -15.8 19.0 2.7 17 352 A P H > S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 23,-0.1 0.639 72.1 61.0 -69.8 -15.2 -14.5 15.5 2.6 18 353 A M H > S+ 0 0 10 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.958 104.9 43.5 -77.5 -54.7 -11.9 16.3 5.4 19 354 A E H > S+ 0 0 116 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.859 117.6 49.9 -53.6 -37.5 -14.3 17.2 8.1 20 355 A E H X S+ 0 0 52 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.928 108.3 51.3 -67.5 -48.8 -16.4 14.2 7.0 21 356 A G H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.905 109.9 50.3 -49.2 -49.1 -13.3 12.0 7.1 22 357 A L H < S+ 0 0 91 -4,-2.8 4,-0.3 2,-0.2 -1,-0.2 0.841 111.0 49.0 -62.5 -35.1 -12.6 13.2 10.7 23 358 A S H >X S+ 0 0 83 -4,-1.5 4,-1.7 -5,-0.2 3,-1.6 0.921 109.4 52.6 -67.5 -44.2 -16.2 12.4 11.7 24 359 A M H 3X S+ 0 0 19 -4,-2.8 4,-1.5 1,-0.3 5,-0.3 0.771 89.4 76.4 -68.4 -24.0 -16.0 9.0 10.2 25 360 A L H 3< S+ 0 0 49 -4,-1.6 -1,-0.3 1,-0.2 5,-0.2 0.785 116.0 20.2 -52.2 -26.9 -12.8 8.1 12.2 26 361 A K H <4 S+ 0 0 90 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.708 132.2 37.1-110.9 -28.3 -15.2 7.7 15.1 27 362 A L H < S+ 0 0 90 -4,-1.7 -3,-0.2 2,-0.1 -2,-0.1 0.454 132.2 5.4-119.9 -8.9 -18.7 7.1 13.7 28 363 A A S < S- 0 0 47 -4,-1.5 2,-0.3 -5,-0.2 -3,-0.1 0.326 105.6-142.4-131.3 -77.5 -18.7 5.0 10.5 29 364 A N >> - 0 0 12 -5,-0.3 4,-2.5 1,-0.1 3,-0.6 -0.828 23.0 -23.6 146.2-149.2 -15.1 4.2 10.4 30 365 A L H 3> S+ 0 0 4 182,-0.4 4,-3.1 -2,-0.3 5,-0.2 0.751 113.8 45.5 -65.6 -51.6 -11.7 3.5 8.9 31 366 A A H 3> S+ 0 0 16 212,-0.4 4,-1.2 2,-0.2 -1,-0.3 0.858 121.3 41.4 -50.7 -44.6 -12.1 2.4 5.2 32 367 A E H <> S+ 0 0 71 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.900 113.7 51.7 -74.0 -45.6 -14.7 5.2 4.6 33 368 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.930 108.6 53.0 -57.5 -42.3 -12.7 7.8 6.6 34 369 A A H X S+ 0 0 2 -4,-3.1 4,-3.0 2,-0.2 -1,-0.2 0.871 106.0 53.4 -59.6 -37.7 -9.6 6.9 4.4 35 370 A L H X S+ 0 0 28 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.935 108.0 50.5 -63.8 -47.1 -11.6 7.5 1.2 36 371 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.875 112.6 45.4 -51.0 -49.8 -12.6 11.0 2.4 37 372 A F H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.901 109.0 57.4 -66.5 -40.8 -8.9 11.8 3.2 38 373 A E H X S+ 0 0 4 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.914 106.0 50.5 -53.0 -41.3 -8.0 10.3 -0.2 39 374 A A H X S+ 0 0 3 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.885 109.0 50.1 -66.3 -41.5 -10.3 12.8 -1.8 40 375 A V H X S+ 0 0 6 -4,-1.7 4,-3.2 1,-0.2 7,-0.2 0.865 109.1 52.4 -63.7 -35.9 -8.7 15.7 0.1 41 376 A C H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.859 109.4 48.4 -72.2 -36.1 -5.2 14.6 -0.9 42 377 A Q H < S+ 0 0 61 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.890 118.8 40.7 -64.8 -40.2 -6.1 14.5 -4.6 43 378 A A H < S+ 0 0 84 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.2 0.888 133.5 17.6 -80.6 -46.7 -7.7 17.9 -4.3 44 379 A A >< + 0 0 18 -4,-3.2 3,-2.1 -5,-0.2 -1,-0.3 -0.736 67.3 176.8-129.3 80.6 -5.2 19.7 -2.1 45 380 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.672 78.5 63.5 -57.1 -20.9 -2.0 17.6 -2.2 46 381 A E T 3 S+ 0 0 126 -3,-0.1 2,-1.4 1,-0.0 3,-0.1 0.485 71.2 107.6 -86.8 -7.5 -0.3 20.2 -0.0 47 382 A R X> - 0 0 96 -3,-2.1 4,-1.5 -7,-0.2 3,-0.9 -0.626 51.1-169.3 -74.9 98.4 -2.6 19.7 3.0 48 383 A E H 3> S+ 0 0 14 -2,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.861 83.9 55.5 -51.8 -41.5 -0.2 17.9 5.3 49 384 A E H 3> S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.745 102.1 56.8 -74.3 -22.4 -3.1 17.0 7.7 50 385 A A H <> S+ 0 0 0 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.894 112.2 42.0 -66.3 -43.4 -5.0 15.3 4.8 51 386 A W H X S+ 0 0 9 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.907 115.0 51.8 -69.5 -40.8 -1.9 13.0 4.2 52 387 A R H X S+ 0 0 65 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.952 110.6 44.7 -62.7 -58.0 -1.4 12.5 7.9 53 388 A S H X S+ 0 0 14 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.898 113.4 53.1 -52.9 -41.3 -4.9 11.4 8.8 54 389 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.904 109.8 48.2 -61.6 -38.8 -4.9 9.1 5.7 55 390 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.922 113.1 44.8 -71.7 -45.7 -1.7 7.4 6.7 56 391 A L H X S+ 0 0 55 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.902 114.4 51.2 -64.4 -39.9 -2.7 6.8 10.4 57 392 A T H X S+ 0 0 2 -4,-2.3 4,-1.3 -5,-0.3 -2,-0.2 0.920 110.0 49.2 -63.1 -45.1 -6.2 5.6 9.1 58 393 A Q H <>S+ 0 0 3 -4,-2.5 5,-2.1 2,-0.2 -1,-0.2 0.896 109.8 50.1 -61.7 -44.6 -4.6 3.2 6.7 59 394 A A H ><5S+ 0 0 11 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.978 111.2 49.5 -58.4 -52.3 -2.2 1.7 9.2 60 395 A E H 3<5S+ 0 0 28 -4,-2.5 155,-2.4 1,-0.3 156,-0.3 0.759 108.0 56.6 -53.8 -27.6 -5.2 1.2 11.6 61 396 A N T 3<5S- 0 0 0 -4,-1.3 -1,-0.3 153,-0.2 -2,-0.2 0.110 126.7-101.4 -91.8 20.4 -6.9 -0.4 8.6 62 397 A E T < 5S+ 0 0 25 -3,-2.1 -3,-0.2 1,-0.1 2,-0.2 0.836 89.1 116.4 67.7 39.9 -4.1 -3.0 8.2 63 398 A K >< + 0 0 27 -5,-2.1 4,-2.2 -4,-0.2 5,-0.1 -0.592 23.6 162.0-138.1 71.7 -2.3 -1.3 5.3 64 399 A D H > S+ 0 0 5 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.858 75.0 63.8 -58.1 -39.5 1.2 -0.2 6.3 65 400 A G H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.968 110.5 35.2 -42.5 -63.1 2.2 0.1 2.6 66 401 A L H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.881 114.6 58.8 -69.3 -37.3 -0.3 2.8 1.9 67 402 A A H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 -1,-0.2 0.930 107.8 47.0 -49.8 -52.1 0.2 4.4 5.4 68 403 A I H X S+ 0 0 21 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.925 110.3 50.4 -61.8 -50.5 3.9 4.8 4.6 69 404 A I H X S+ 0 0 41 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.943 116.6 44.0 -50.7 -51.0 3.4 6.3 1.2 70 405 A A H >X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 3,-0.8 0.917 112.2 49.8 -61.0 -51.1 0.9 8.8 2.8 71 406 A L H 3X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.770 102.7 61.4 -66.7 -27.4 3.0 9.6 5.8 72 407 A N H 3X S+ 0 0 55 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.824 103.9 50.1 -69.4 -29.4 6.1 10.4 3.8 73 408 A H H < - 0 0 63 -4,-2.5 3,-1.8 -5,-0.2 -1,-0.3 -0.653 63.4-178.6-147.9 93.4 5.7 19.3 7.8 79 414 A P T 3 S+ 0 0 80 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.465 82.6 61.0 -72.5 -0.7 8.8 17.7 9.2 80 415 A K T 3 + 0 0 57 4,-0.0 2,-1.2 5,-0.0 3,-0.1 0.245 69.5 115.1-107.6 8.0 7.9 18.7 12.7 81 416 A D X> - 0 0 20 -3,-1.8 4,-1.4 1,-0.2 3,-0.6 -0.699 47.6-171.0 -78.5 102.3 4.6 16.8 12.8 82 417 A I H 3> S+ 0 0 63 -2,-1.2 4,-2.4 1,-0.2 5,-0.2 0.796 78.7 63.6 -70.9 -25.9 5.6 14.4 15.5 83 418 A A H 3> S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.867 102.4 50.2 -63.7 -36.2 2.5 12.3 14.9 84 419 A V H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.908 110.9 48.6 -69.5 -43.9 3.7 11.4 11.3 85 420 A H H X S+ 0 0 8 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.900 111.2 49.9 -60.1 -43.1 7.1 10.4 12.6 86 421 A A H X S+ 0 0 27 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.930 113.3 46.4 -63.6 -43.5 5.6 8.2 15.4 87 422 A A H X S+ 0 0 15 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.877 109.4 54.7 -67.0 -36.7 3.4 6.5 12.8 88 423 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.917 105.9 52.2 -62.6 -41.2 6.3 6.1 10.4 89 424 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.835 111.4 48.0 -62.7 -35.6 8.2 4.3 13.1 90 425 A V H X S+ 0 0 14 -4,-1.4 4,-2.7 2,-0.2 212,-0.2 0.963 113.1 44.4 -72.3 -55.9 5.3 1.9 13.7 91 426 A S H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.910 116.6 46.4 -54.5 -45.9 4.6 1.0 10.0 92 427 A H H X>S+ 0 0 15 -4,-2.4 5,-2.3 -5,-0.2 4,-0.7 0.902 110.3 53.2 -63.7 -43.7 8.3 0.5 9.2 93 428 A T H ><5S+ 0 0 11 -4,-1.6 3,-0.9 -5,-0.3 -2,-0.2 0.942 112.0 46.5 -55.2 -46.0 8.7 -1.5 12.4 94 429 A N H 3<5S+ 0 0 13 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.819 115.2 45.8 -61.7 -36.7 5.8 -3.7 11.2 95 430 A E H 3<5S- 0 0 87 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.379 113.1-119.1 -90.5 0.7 7.3 -3.9 7.6 96 431 A H T <<5 + 0 0 140 -3,-0.9 2,-0.8 -4,-0.7 -3,-0.2 0.886 63.4 145.5 60.6 43.9 10.8 -4.7 9.0 97 432 A N >< + 0 0 69 -5,-2.3 4,-2.2 1,-0.2 -1,-0.2 -0.859 23.5 179.0-103.4 88.4 12.5 -1.6 7.5 98 433 A A H > S+ 0 0 17 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.934 71.0 50.8 -62.3 -51.5 14.9 -1.2 10.4 99 434 A N H > S+ 0 0 89 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.880 115.3 42.7 -55.1 -43.3 16.9 1.8 9.3 100 435 A A H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.877 110.5 55.7 -71.9 -39.4 13.7 3.8 8.5 101 436 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.3 0.956 111.7 44.3 -59.1 -45.3 12.0 2.7 11.7 102 437 A L H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.824 112.6 51.4 -67.8 -35.3 15.0 4.0 13.7 103 438 A A H X S+ 0 0 51 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.745 109.3 51.6 -73.0 -25.7 15.2 7.3 11.7 104 439 A S H X S+ 0 0 5 -4,-2.0 4,-2.4 -3,-0.3 -2,-0.2 0.922 110.5 47.6 -78.2 -44.4 11.5 7.9 12.3 105 440 A L H X S+ 0 0 3 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.903 113.4 48.8 -57.3 -44.3 11.9 7.4 16.1 106 441 A R H X S+ 0 0 99 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.956 115.0 43.6 -57.9 -53.9 14.9 9.8 16.1 107 442 A A H X S+ 0 0 27 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.828 108.8 58.6 -58.9 -37.5 13.1 12.4 14.1 108 443 A W H < S+ 0 0 4 -4,-2.4 -1,-0.2 -23,-0.2 -2,-0.2 0.939 114.1 38.4 -60.3 -45.1 10.0 11.9 16.3 109 444 A L H >< S+ 0 0 1 -4,-1.9 3,-1.7 1,-0.2 6,-0.4 0.948 116.0 47.1 -68.1 -54.9 12.1 12.8 19.3 110 445 A L H 3< S+ 0 0 37 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.566 99.6 69.1 -76.4 -7.3 14.3 15.6 18.0 111 446 A S T 3< S+ 0 0 34 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.1 0.438 84.6 89.9 -83.6 0.3 11.3 17.4 16.3 112 447 A Q S X> S- 0 0 19 -3,-1.7 4,-2.3 1,-0.1 3,-1.0 -0.879 74.1-144.4-100.2 124.4 10.1 18.2 19.9 113 448 A P T 34 S+ 0 0 110 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.873 101.5 62.2 -47.8 -39.5 11.2 21.4 21.5 114 449 A Q T 34 S+ 0 0 106 1,-0.2 3,-0.1 2,-0.1 -4,-0.1 0.878 122.6 14.5 -55.3 -42.0 11.2 19.5 24.7 115 450 A Y T X4 S+ 0 0 1 -3,-1.0 3,-0.9 -6,-0.4 -1,-0.2 0.426 92.0 105.5-120.1 0.5 13.9 17.0 23.6 116 451 A E T 3< + 0 0 95 -4,-2.3 -1,-0.1 1,-0.2 -2,-0.1 0.738 65.8 75.0 -58.2 -26.0 15.5 18.5 20.5 117 452 A Q T 3 0 0 164 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.943 360.0 360.0 -58.8 -43.8 18.7 19.5 22.2 118 453 A L < 0 0 61 -3,-0.9 -1,-0.3 16,-0.1 -2,-0.2 0.510 360.0 360.0 -45.4 360.0 19.8 15.8 22.3 119 ! 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 0.0 120 474 A F 0 0 153 0, 0.0 2,-0.8 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 132.7 24.0 -5.4 19.8 121 475 A F > - 0 0 28 4,-0.2 3,-1.3 1,-0.2 7,-0.2 -0.826 360.0-156.2 -97.2 98.6 21.3 -4.9 17.0 122 476 A F T 3 S+ 0 0 198 -2,-0.8 -1,-0.2 1,-0.3 37,-0.0 0.785 83.5 51.4 -42.9 -55.6 22.7 -6.6 13.9 123 477 A A T 3 S+ 0 0 61 1,-0.3 -1,-0.3 2,-0.1 -24,-0.1 0.798 135.9 1.1 -64.4 -26.3 20.8 -4.7 11.1 124 478 A A S <> S+ 0 0 0 -3,-1.3 4,-2.3 1,-0.1 -1,-0.3 -0.472 70.0 171.7-161.5 71.3 21.8 -1.2 12.3 125 479 A P H > S+ 0 0 69 0, 0.0 4,-2.5 0, 0.0 -4,-0.2 0.911 82.4 36.2 -61.5 -46.6 23.9 -1.4 15.5 126 480 A N H > S+ 0 0 125 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.874 113.4 55.6 -75.0 -42.1 24.8 2.3 15.7 127 481 A E H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 115.4 42.0 -52.3 -43.6 21.4 3.6 14.5 128 482 A Y H X S+ 0 0 20 -4,-2.3 4,-3.1 -7,-0.2 5,-0.3 0.937 110.8 54.5 -69.1 -50.4 19.9 1.6 17.3 129 483 A R H X S+ 0 0 47 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.930 111.8 46.9 -44.8 -51.4 22.6 2.6 19.9 130 484 A E H X S+ 0 0 80 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.911 113.0 47.3 -61.1 -49.9 21.8 6.2 19.1 131 485 A C H X S+ 0 0 3 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.916 112.4 48.8 -55.2 -51.2 18.1 5.8 19.4 132 486 A R H X S+ 0 0 108 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.847 115.0 46.3 -59.0 -38.5 18.2 3.8 22.7 133 487 A T H X S+ 0 0 96 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.891 114.8 44.6 -71.3 -46.3 20.5 6.5 24.1 134 488 A L H X S+ 0 0 16 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.940 116.7 46.1 -64.9 -49.6 18.5 9.5 23.0 135 489 A L H X S+ 0 0 2 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.866 113.9 47.5 -61.7 -44.8 15.2 7.9 24.0 136 490 A H H X S+ 0 0 62 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.2 0.825 112.2 51.1 -66.1 -34.7 16.6 6.8 27.5 137 491 A A H X S+ 0 0 22 -4,-1.9 4,-1.3 2,-0.2 3,-0.5 0.872 108.9 50.8 -64.7 -40.4 18.1 10.3 27.9 138 492 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.878 104.2 60.2 -62.1 -36.4 14.7 11.8 27.1 139 493 A L H < S+ 0 0 28 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.721 104.0 48.0 -70.0 -23.6 13.2 9.5 29.7 140 494 A E H < S+ 0 0 164 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.721 111.3 50.5 -88.3 -20.6 15.3 11.0 32.5 141 495 A M H < S+ 0 0 97 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.914 134.5 12.3 -66.6 -45.1 14.3 14.5 31.3 142 496 A N >< + 0 0 38 -4,-2.5 3,-1.3 -5,-0.1 -1,-0.2 -0.783 65.9 177.3-140.2 86.3 10.6 13.3 31.4 143 497 A P T 3 S+ 0 0 71 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.626 84.4 48.8 -62.1 -20.0 10.0 9.9 33.2 144 498 A N T 3 + 0 0 111 4,-0.0 2,-0.9 31,-0.0 3,-0.1 0.023 68.6 127.6-118.8 28.8 6.3 10.2 32.6 145 499 A D <> - 0 0 17 -3,-1.3 4,-1.8 1,-0.2 3,-0.3 -0.757 44.5-161.0 -78.8 107.3 6.1 11.1 28.9 146 500 A A H > S+ 0 0 1 -2,-0.9 4,-2.2 1,-0.3 -1,-0.2 0.874 90.4 51.9 -60.8 -38.9 3.6 8.3 27.9 147 501 A Q H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.795 103.3 58.4 -71.1 -26.9 4.7 8.8 24.2 148 502 A L H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.931 108.8 45.7 -61.9 -42.6 8.4 8.4 25.3 149 503 A H H X S+ 0 0 19 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.905 109.5 54.4 -65.4 -43.2 7.4 5.0 26.7 150 504 A A H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.944 109.7 49.0 -52.7 -46.3 5.4 4.2 23.5 151 505 A S H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.846 108.9 49.8 -66.3 -38.8 8.6 4.9 21.5 152 506 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.885 109.6 55.1 -62.0 -38.4 10.9 2.7 23.7 153 507 A G H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.911 110.1 43.5 -57.8 -46.2 8.2 0.1 23.1 154 508 A V H X S+ 0 0 4 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.924 114.0 51.9 -67.0 -43.6 8.5 0.4 19.4 155 509 A L H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.905 112.3 45.1 -53.7 -45.8 12.3 0.5 19.6 156 510 A Y H <>S+ 0 0 7 -4,-2.7 5,-2.7 1,-0.2 -1,-0.2 0.750 107.7 57.8 -81.8 -24.1 12.4 -2.7 21.7 157 511 A N H ><5S+ 0 0 7 -4,-1.7 3,-1.5 3,-0.2 -1,-0.2 0.909 103.1 54.3 -60.8 -46.9 9.9 -4.4 19.4 158 512 A L H 3<5S+ 0 0 21 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.833 113.6 41.5 -56.6 -37.7 12.3 -3.8 16.5 159 513 A S T 3<5S- 0 0 22 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.228 112.6-117.6 -96.1 12.9 15.1 -5.5 18.6 160 514 A N T < 5S+ 0 0 106 -3,-1.5 2,-1.0 1,-0.2 -3,-0.2 0.750 70.7 137.3 55.7 30.2 12.8 -8.4 19.9 161 515 A N >< + 0 0 64 -5,-2.7 4,-2.0 1,-0.2 3,-0.4 -0.643 21.4 162.4 -95.1 67.3 13.3 -7.3 23.6 162 516 A Y H > + 0 0 42 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.809 63.5 60.1 -67.5 -31.6 9.6 -7.8 24.1 163 517 A D H > S+ 0 0 122 2,-0.2 4,-1.2 -3,-0.2 -1,-0.2 0.896 110.7 40.5 -57.1 -46.7 9.8 -7.9 27.9 164 518 A S H > S+ 0 0 48 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.835 115.0 52.8 -77.0 -35.3 11.3 -4.4 28.1 165 519 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.906 108.4 49.0 -59.7 -49.3 8.9 -3.1 25.4 166 520 A A H X S+ 0 0 6 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.813 108.7 55.1 -67.2 -31.2 5.8 -4.4 27.2 167 521 A A H X S+ 0 0 51 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.923 112.0 42.1 -64.2 -48.3 7.0 -2.8 30.5 168 522 A N H X S+ 0 0 24 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.870 115.1 49.9 -67.4 -39.5 7.3 0.6 28.8 169 523 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.816 108.7 54.4 -71.1 -28.4 4.0 0.1 27.0 170 524 A R H X S+ 0 0 95 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.898 108.2 47.1 -68.6 -43.4 2.4 -0.9 30.3 171 525 A R H X S+ 0 0 25 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.903 110.7 56.9 -60.9 -39.0 3.6 2.4 31.9 172 526 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.843 105.9 46.1 -59.8 -42.8 2.2 4.1 28.8 173 527 A V H < S+ 0 0 9 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.762 107.0 58.7 -77.8 -23.7 -1.3 2.7 29.2 174 528 A E H < S+ 0 0 149 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.878 112.7 40.6 -66.6 -36.4 -1.4 3.6 32.9 175 529 A L H < S+ 0 0 72 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.821 134.4 22.2 -75.3 -35.2 -0.7 7.3 31.8 176 530 A R >< + 0 0 107 -4,-1.8 3,-1.5 -5,-0.2 -1,-0.2 -0.518 68.1 164.4-136.0 70.3 -3.1 7.0 28.9 177 531 A P T 3 S+ 0 0 66 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.431 76.0 56.6 -70.7 -2.5 -5.6 4.2 29.5 178 532 A D T 3 S+ 0 0 126 31,-0.0 2,-0.9 5,-0.0 3,-0.1 0.054 77.0 111.0-112.8 17.9 -8.1 5.4 26.8 179 533 A D <> - 0 0 36 -3,-1.5 4,-1.7 1,-0.2 5,-0.1 -0.848 46.1-171.6-100.5 105.7 -5.5 5.3 24.0 180 534 A A H > S+ 0 0 5 -2,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.879 85.2 57.3 -63.6 -41.8 -6.5 2.5 21.7 181 535 A Q H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 108.1 47.3 -50.5 -53.0 -3.3 2.8 19.7 182 536 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.841 109.6 52.9 -64.1 -36.2 -1.2 2.2 22.9 183 537 A W H X S+ 0 0 27 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.959 109.5 48.8 -64.4 -50.6 -3.3 -0.8 23.9 184 538 A N H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.899 110.1 52.0 -51.1 -48.1 -2.8 -2.5 20.5 185 539 A K H X S+ 0 0 26 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.896 111.2 45.7 -59.2 -43.1 1.0 -1.8 20.8 186 540 A L H X S+ 0 0 8 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.900 113.9 53.0 -65.7 -37.0 1.1 -3.5 24.2 187 541 A G H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.953 110.1 43.6 -60.8 -57.2 -1.0 -6.2 22.6 188 542 A A H X S+ 0 0 0 -4,-3.2 4,-3.3 2,-0.2 112,-0.3 0.873 112.3 54.8 -56.0 -43.0 1.3 -6.9 19.7 189 543 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.975 112.2 43.5 -53.6 -54.8 4.3 -6.7 22.0 190 544 A L H <>S+ 0 0 14 -4,-2.6 5,-2.9 2,-0.2 -2,-0.2 0.914 115.3 48.0 -59.3 -47.0 2.7 -9.4 24.2 191 545 A A H ><5S+ 0 0 6 -4,-3.1 3,-2.0 1,-0.2 -2,-0.2 0.984 114.0 46.5 -56.4 -55.5 1.6 -11.5 21.2 192 546 A N H 3<5S+ 0 0 27 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.800 109.4 55.7 -61.8 -29.4 5.0 -11.3 19.6 193 547 A G T 3<5S- 0 0 28 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 -0.009 122.8-105.9 -87.4 25.1 6.7 -12.1 22.9 194 548 A N T < 5S+ 0 0 148 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.2 0.823 88.4 119.9 54.0 38.9 4.6 -15.3 23.2 195 549 A R >< + 0 0 20 -5,-2.9 4,-2.0 -6,-0.1 -1,-0.1 -0.503 29.0 157.3-122.3 61.5 2.2 -14.0 25.8 196 550 A P H > + 0 0 34 0, 0.0 4,-2.0 0, 0.0 -5,-0.1 0.762 67.7 52.3 -65.0 -33.3 -1.0 -14.4 23.7 197 551 A Q H > S+ 0 0 95 2,-0.2 4,-1.5 1,-0.2 -6,-0.1 0.945 113.2 45.5 -68.0 -46.3 -3.6 -14.6 26.5 198 552 A E H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.864 109.0 58.7 -57.0 -39.0 -2.2 -11.4 27.9 199 553 A A H X S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.2 5,-0.2 0.937 102.8 51.9 -54.8 -49.7 -2.2 -10.0 24.3 200 554 A L H X S+ 0 0 4 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.844 104.1 56.4 -59.6 -39.5 -5.9 -10.5 24.0 201 555 A D H X S+ 0 0 104 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.976 112.5 42.6 -54.8 -53.3 -6.6 -8.7 27.2 202 556 A A H X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 3,-0.3 0.955 114.8 49.8 -55.7 -52.7 -4.7 -5.7 25.7 203 557 A Y H X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.864 107.7 55.0 -56.3 -39.3 -6.5 -6.2 22.3 204 558 A N H X S+ 0 0 64 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.848 107.0 48.9 -65.1 -36.1 -9.8 -6.3 24.1 205 559 A R H X S+ 0 0 118 -4,-1.9 4,-1.4 -3,-0.3 -2,-0.2 0.918 110.3 53.5 -63.0 -43.3 -9.2 -2.9 25.8 206 560 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-0.2 0.915 109.6 46.1 -59.9 -41.6 -8.2 -1.6 22.4 207 561 A L H < S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.779 105.9 59.6 -72.9 -28.6 -11.5 -2.7 20.7 208 562 A D H < S+ 0 0 126 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.814 112.1 40.8 -65.1 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