==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 14-APR-13 4K5F . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.LI,T.L.POULOS . 818 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 536 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 1 0.1 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 . 64 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 3 2 0 1 1 2 0 0 0 2 0 0 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 8 6 10 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 ANTIPARALLEL BRIDGES PER LADDER . 8 4 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 1 299 A R 0 0 208 0, 0.0 2,-0.5 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -23.4 20.5 27.2 41.0 2 300 A F - 0 0 145 17,-0.1 2,-0.4 18,-0.0 15,-0.2 -0.998 360.0-158.1-111.3 118.5 23.8 25.2 40.6 3 301 A L E -A 16 0A 37 13,-1.9 13,-4.5 -2,-0.5 2,-0.3 -0.838 12.5-152.5-115.4 135.7 22.6 21.7 41.6 4 302 A K E -A 15 0A 125 -2,-0.4 2,-0.4 11,-0.3 11,-0.2 -0.748 3.9-164.4-103.7 146.9 24.5 18.7 42.9 5 303 A V E -A 14 0A 0 9,-2.3 9,-2.6 -2,-0.3 2,-0.4 -0.999 11.5-154.7-125.9 136.6 23.6 15.1 42.4 6 304 A K E -A 13 0A 58 -2,-0.4 380,-2.3 7,-0.2 2,-0.6 -0.862 14.1-142.3-113.9 141.6 25.3 12.4 44.6 7 305 A N B > -B 385 0B 4 5,-2.6 4,-1.7 -2,-0.4 378,-0.2 -0.923 14.9-157.0 -94.5 123.4 25.9 8.7 44.0 8 306 A W T 4 S+ 0 0 89 376,-2.6 377,-0.1 -2,-0.6 -1,-0.1 0.375 88.9 46.9 -86.3 4.4 25.3 7.0 47.4 9 307 A E T 4 S+ 0 0 36 375,-0.2 -1,-0.2 372,-0.1 376,-0.1 0.661 125.3 26.0-113.9 -35.7 27.4 4.0 46.6 10 308 A T T 4 S- 0 0 77 2,-0.2 -2,-0.2 374,-0.1 3,-0.1 0.501 92.0-132.0-109.2 -7.4 30.5 5.7 45.2 11 309 A D < + 0 0 111 -4,-1.7 -3,-0.1 1,-0.2 2,-0.1 0.369 54.1 151.7 64.8 -3.6 30.2 9.1 46.9 12 310 A V - 0 0 61 -6,-0.1 -5,-2.6 -5,-0.0 2,-0.4 -0.369 29.6-159.6 -58.8 131.0 30.8 10.7 43.5 13 311 A V E -A 6 0A 76 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.972 6.4-168.1-119.6 125.7 29.2 14.2 43.3 14 312 A L E -A 5 0A 26 -9,-2.6 -9,-2.3 -2,-0.4 2,-0.5 -0.870 15.2-136.3-113.2 149.5 28.3 16.0 40.0 15 313 A T E -A 4 0A 59 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.3 -0.901 15.1-148.7-107.4 129.4 27.3 19.6 39.5 16 314 A D E +A 3 0A 0 -13,-4.5 -13,-1.9 -2,-0.5 347,-0.2 -0.863 35.1 149.9-106.9 116.8 24.4 20.3 37.2 17 315 A T > + 0 0 47 345,-2.7 3,-0.8 -2,-0.6 346,-0.2 0.411 63.3 78.6-112.5 -7.2 24.4 23.6 35.2 18 316 A L G > S+ 0 0 13 344,-1.8 3,-2.1 1,-0.2 345,-0.2 0.787 76.9 72.1 -80.4 -26.0 22.5 22.3 32.2 19 317 A H G > S+ 0 0 17 343,-0.3 3,-1.9 1,-0.3 -1,-0.2 0.721 82.1 72.6 -61.2 -22.2 19.1 22.4 33.8 20 318 A L G < S+ 0 0 59 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.621 90.4 58.3 -71.3 -10.7 19.2 26.2 33.6 21 319 A K G < S+ 0 0 130 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.290 79.3 137.0 -92.0 6.6 18.6 25.9 29.9 22 320 A S < + 0 0 20 -3,-1.9 370,-0.2 1,-0.1 -3,-0.1 -0.292 24.8 171.5 -60.2 133.6 15.4 24.0 30.7 23 321 A T + 0 0 54 368,-1.7 -1,-0.1 2,-0.1 369,-0.1 0.824 50.8 56.9-108.6 -58.9 12.6 25.2 28.5 24 322 A L S S- 0 0 35 367,-0.7 367,-0.4 1,-0.1 2,-0.2 -0.038 82.3-103.2 -72.3 171.9 9.5 23.0 29.0 25 323 A E - 0 0 127 365,-0.1 415,-0.2 1,-0.1 -1,-0.1 -0.576 13.6-148.5-101.6 161.4 7.6 22.2 32.3 26 324 A T - 0 0 17 413,-1.6 414,-0.1 2,-0.3 3,-0.1 0.687 35.7-115.5-102.4 -22.6 7.6 19.1 34.5 27 325 A G S S+ 0 0 32 1,-0.4 2,-0.1 13,-0.2 412,-0.1 0.023 83.7 111.6 94.9 -23.6 4.2 18.7 36.1 28 326 A C - 0 0 2 410,-0.3 -1,-0.4 411,-0.1 -2,-0.3 -0.477 42.7-179.6 -84.1 151.9 5.9 19.3 39.5 29 327 A T - 0 0 43 3,-2.4 408,-0.4 -2,-0.1 406,-0.1 -0.764 48.7 -93.8-128.7-176.3 5.5 22.3 41.8 30 328 A E S S+ 0 0 91 -2,-0.2 405,-1.1 1,-0.2 406,-0.1 0.609 127.5 44.8 -71.9 -11.4 6.9 23.3 45.2 31 329 A H S S+ 0 0 95 1,-0.3 2,-0.3 403,-0.2 771,-0.2 0.641 119.9 29.3-106.3 -19.3 3.8 21.7 46.7 32 330 A I - 0 0 10 769,-0.1 -3,-2.4 405,-0.1 2,-0.5 -0.933 60.9-150.2-149.6 122.7 3.5 18.5 44.8 33 331 A C B -C 800 0C 10 767,-2.7 767,-1.9 -2,-0.3 3,-0.1 -0.800 10.8-178.1 -86.5 131.5 6.0 16.2 43.1 34 332 A M > + 0 0 26 -2,-0.5 3,-1.8 765,-0.2 -1,-0.1 -0.012 36.8 131.3-118.0 25.9 4.6 14.3 40.1 35 333 A G T 3 S+ 0 0 21 1,-0.3 334,-0.2 765,-0.1 -1,-0.1 0.565 72.9 50.4 -50.6 -17.5 7.7 12.3 39.3 36 334 A S T 3 S+ 0 0 16 762,-0.5 2,-0.3 -3,-0.1 -1,-0.3 0.413 78.8 108.1-110.7 0.7 5.7 9.1 39.0 37 335 A I < - 0 0 16 -3,-1.8 -3,-0.1 760,-0.1 377,-0.0 -0.651 63.4-142.5 -75.0 132.0 2.8 10.1 36.7 38 336 A M S S+ 0 0 46 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.817 93.5 18.0 -59.7 -36.7 3.2 8.5 33.2 39 337 A L 0 0 107 -12,-0.0 -1,-0.2 -3,-0.0 -12,-0.0 -0.742 360.0 360.0-139.6 83.3 1.9 11.7 31.4 40 338 A P 0 0 96 0, 0.0 -13,-0.2 0, 0.0 -5,-0.0 0.105 360.0 360.0 -90.8 360.0 2.0 14.9 33.5 41 ! 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 42 350 A T > 0 0 105 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 166.2 1.8 30.9 15.3 43 351 A K H > + 0 0 79 2,-0.2 4,-1.5 1,-0.1 38,-0.1 0.842 360.0 57.1 -52.6 -40.1 4.4 33.1 13.6 44 352 A D H 4 S+ 0 0 126 1,-0.2 3,-0.3 2,-0.2 -1,-0.1 0.971 110.3 37.2 -60.7 -61.9 4.9 34.5 17.1 45 353 A Q H > S+ 0 0 119 1,-0.2 4,-1.3 2,-0.1 -1,-0.2 0.794 112.3 62.8 -64.2 -29.0 5.8 31.4 19.0 46 354 A L H X S+ 0 0 20 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.863 94.4 53.8 -75.0 -38.8 7.7 29.9 16.2 47 355 A F H X S+ 0 0 41 -4,-1.5 4,-2.7 -3,-0.3 5,-0.2 0.925 107.1 51.3 -66.5 -40.1 10.6 32.4 15.7 48 356 A P H > S+ 0 0 79 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.960 112.6 47.5 -54.2 -48.1 11.8 32.2 19.3 49 357 A L H X S+ 0 0 53 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.901 111.6 50.4 -62.8 -41.0 11.8 28.5 19.1 50 358 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.944 111.1 48.8 -58.0 -48.9 13.7 28.6 15.8 51 359 A K H X S+ 0 0 88 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.896 107.9 52.1 -62.6 -46.4 16.4 31.0 17.2 52 360 A E H X S+ 0 0 53 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.928 114.0 45.2 -58.0 -46.3 17.1 29.0 20.3 53 361 A F H X S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.2 -2,-0.2 0.954 114.3 46.3 -60.5 -51.1 17.6 25.9 18.2 54 362 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.3 5,-0.2 0.841 110.0 57.1 -64.1 -33.2 19.8 27.6 15.6 55 363 A D H X S+ 0 0 32 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.3 0.887 109.8 43.2 -61.3 -44.2 21.7 29.2 18.4 56 364 A Q H X S+ 0 0 51 -4,-1.9 4,-3.0 -5,-0.2 -2,-0.2 0.949 112.9 53.2 -72.7 -40.3 22.5 25.8 19.8 57 365 A Y H X S+ 0 0 26 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.932 112.6 42.4 -53.1 -52.6 23.4 24.3 16.4 58 366 A Y H <>S+ 0 0 28 -4,-2.6 5,-3.1 1,-0.2 6,-0.4 0.827 113.1 52.9 -71.3 -31.0 25.9 27.0 15.5 59 367 A S H ><5S+ 0 0 66 -4,-1.6 3,-1.9 4,-0.3 5,-0.2 0.948 106.6 53.8 -63.8 -46.1 27.4 27.0 18.9 60 368 A S H 3<5S+ 0 0 42 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.776 107.1 50.8 -60.7 -28.9 27.8 23.2 18.6 61 369 A I T 3<5S- 0 0 54 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.133 118.1-111.9 -92.5 22.1 29.7 23.6 15.3 62 370 A K T < 5S+ 0 0 177 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.781 93.3 108.5 53.8 32.5 32.0 26.2 17.0 63 371 A R > < + 0 0 144 -5,-3.1 3,-1.7 -6,-0.2 6,-0.4 0.081 37.1 151.5-126.4 25.0 30.4 28.9 14.7 64 372 A F T 3 S+ 0 0 127 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.356 73.9 8.7 -62.1 127.0 28.3 30.9 17.2 65 373 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.614 96.0 136.7 77.4 13.2 27.9 34.5 16.1 66 374 A S S <> S- 0 0 31 -3,-1.7 4,-2.9 1,-0.1 5,-0.3 -0.437 71.5-107.0 -86.6 164.5 29.5 34.0 12.7 67 375 A K H > S+ 0 0 156 1,-0.2 4,-4.3 2,-0.2 5,-0.3 0.955 123.4 55.1 -55.7 -48.3 28.0 35.5 9.5 68 376 A A H > S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 110.6 46.5 -47.7 -47.7 26.9 31.9 8.5 69 377 A H H > S+ 0 0 1 -6,-0.4 4,-2.1 2,-0.2 3,-0.3 0.986 117.2 41.6 -55.8 -59.8 25.0 31.8 11.9 70 378 A M H X S+ 0 0 86 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.845 112.4 55.6 -60.6 -38.9 23.5 35.3 11.4 71 379 A D H X S+ 0 0 70 -4,-4.3 4,-2.7 -5,-0.3 -1,-0.2 0.892 110.0 45.3 -59.5 -44.5 22.7 34.7 7.8 72 380 A R H X S+ 0 0 9 -4,-2.0 4,-2.8 -5,-0.3 5,-0.3 0.879 111.8 51.4 -68.1 -38.6 20.7 31.5 8.6 73 381 A L H X S+ 0 0 20 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.928 113.0 47.1 -63.3 -46.9 18.9 33.3 11.4 74 382 A E H X S+ 0 0 112 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.946 113.9 46.8 -50.0 -58.1 18.1 36.0 9.0 75 383 A E H X S+ 0 0 89 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.801 112.7 48.6 -62.2 -37.4 16.9 33.6 6.3 76 384 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.903 111.5 50.7 -72.3 -40.5 14.8 31.5 8.7 77 385 A N H X S+ 0 0 58 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.925 110.4 49.8 -58.8 -44.5 13.3 34.8 9.9 78 386 A K H X S+ 0 0 139 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.936 111.2 49.7 -55.6 -46.4 12.6 35.7 6.3 79 387 A E H X S+ 0 0 46 -4,-2.1 4,-3.3 1,-0.2 6,-0.5 0.793 110.6 47.5 -70.3 -32.8 11.0 32.4 5.6 80 388 A I H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.904 109.6 51.9 -74.9 -48.1 8.6 32.3 8.7 81 389 A E H < S+ 0 0 126 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.854 122.7 34.4 -53.5 -37.1 7.4 35.9 8.1 82 390 A S H < S+ 0 0 91 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.971 134.3 20.3 -82.3 -61.7 6.6 34.8 4.6 83 391 A T H < S- 0 0 69 -4,-3.3 -3,-0.2 2,-0.3 -2,-0.2 0.537 91.7-127.4 -94.9 -11.5 5.5 31.1 4.8 84 392 A S S < S+ 0 0 64 -4,-2.2 2,-0.3 -5,-0.3 -4,-0.2 0.418 88.7 43.1 71.8 1.2 4.6 30.9 8.5 85 393 A T S S- 0 0 34 -6,-0.5 -2,-0.3 -9,-0.0 2,-0.3 -0.876 73.6-146.4-148.0-174.7 6.9 27.9 8.8 86 394 A Y - 0 0 0 -2,-0.3 2,-0.4 -3,-0.1 -10,-0.1 -0.943 13.1-113.3-150.9 177.7 10.3 26.9 7.7 87 395 A Q - 0 0 93 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.912 23.9-128.5-119.1 140.1 12.5 24.0 6.6 88 396 A L - 0 0 7 -2,-0.4 2,-0.1 2,-0.0 179,-0.0 -0.678 23.4-119.8 -83.0 139.1 15.5 22.5 8.3 89 397 A K >> - 0 0 101 -2,-0.3 4,-2.5 1,-0.1 3,-0.5 -0.466 33.5-109.2 -63.9 147.7 18.8 22.0 6.5 90 398 A D H 3> S+ 0 0 98 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.898 120.3 52.3 -44.6 -50.9 19.8 18.3 6.4 91 399 A T H 3> S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.858 110.1 48.5 -59.2 -37.5 22.7 19.0 8.8 92 400 A E H <> S+ 0 0 0 -3,-0.5 4,-3.1 2,-0.2 -1,-0.2 0.920 110.2 51.6 -66.2 -45.0 20.3 20.7 11.2 93 401 A L H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.909 111.1 47.1 -60.5 -46.8 17.8 17.8 11.0 94 402 A I H X S+ 0 0 71 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.908 114.2 47.9 -58.9 -45.4 20.5 15.3 11.8 95 403 A Y H X S+ 0 0 31 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.918 112.1 49.3 -64.5 -43.4 21.7 17.4 14.7 96 404 A G H X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.831 111.4 47.7 -66.2 -35.4 18.2 17.9 16.1 97 405 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.928 111.8 49.2 -73.1 -43.0 17.3 14.2 15.9 98 406 A K H X S+ 0 0 52 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.898 114.5 47.8 -60.2 -41.6 20.5 13.1 17.6 99 407 A H H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.813 101.3 60.5 -70.2 -31.6 19.8 15.7 20.2 100 408 A A H < S+ 0 0 0 -4,-2.0 296,-0.5 2,-0.2 4,-0.2 0.889 111.8 43.6 -61.8 -34.6 16.2 14.8 20.8 101 409 A W H >< S+ 0 0 34 -4,-1.6 3,-1.4 2,-0.2 -2,-0.2 0.907 109.1 54.6 -74.2 -45.5 17.6 11.4 21.8 102 410 A R H 3< S+ 0 0 35 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.871 112.8 47.0 -52.8 -34.8 20.4 12.9 23.8 103 411 A N T 3< S+ 0 0 9 -4,-2.3 2,-0.9 291,-0.2 289,-0.4 0.477 77.2 115.6 -90.0 1.1 17.6 14.7 25.7 104 412 A A X - 0 0 27 -3,-1.4 3,-1.9 -4,-0.2 6,-0.1 -0.526 47.4-166.9 -75.8 106.1 15.2 11.8 26.3 105 413 A S T 3 S+ 0 0 22 -2,-0.9 262,-2.8 1,-0.3 -1,-0.2 0.748 82.0 57.0 -76.7 -16.3 15.3 11.7 30.1 106 414 A R T 3 S+ 0 0 50 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.394 85.0 101.5 -86.1 2.6 13.7 8.3 30.2 107 415 A C X - 0 0 37 -3,-1.9 3,-0.6 -6,-0.2 264,-0.1 -0.815 42.0-179.2-103.6 121.8 16.3 6.5 28.0 108 416 A V T 3 S+ 0 0 26 -2,-0.6 3,-0.5 1,-0.2 -1,-0.2 0.693 81.1 69.1 -81.5 -21.4 18.9 4.4 29.6 109 417 A G T > + 0 0 30 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.276 62.8 112.9 -84.1 10.3 20.4 3.7 26.2 110 418 A R G X + 0 0 0 -3,-0.6 3,-2.5 1,-0.3 -1,-0.2 0.560 48.7 85.6 -72.1 -6.5 21.7 7.2 25.6 111 419 A I G 3 S+ 0 0 54 -3,-0.5 3,-0.4 1,-0.3 -1,-0.3 0.799 94.2 52.7 -60.2 -19.6 25.4 6.5 25.6 112 420 A Q G X S+ 0 0 47 -3,-1.6 3,-2.7 1,-0.2 -1,-0.3 0.445 74.5 116.3 -89.5 -4.2 24.8 5.7 22.0 113 421 A W T < S+ 0 0 40 -3,-2.5 -1,-0.2 1,-0.3 -11,-0.2 0.694 70.7 54.0 -50.0 -32.8 23.0 9.0 21.1 114 422 A S T 3 S+ 0 0 57 -3,-0.4 2,-1.1 -4,-0.2 -1,-0.3 0.699 95.0 70.5 -80.5 -15.5 25.6 10.2 18.6 115 423 A K < + 0 0 124 -3,-2.7 2,-0.5 -17,-0.1 34,-0.3 -0.666 66.8 135.1 -97.0 76.1 25.4 7.0 16.4 116 424 A L - 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0 0 39 -5,-1.6 2,-1.3 1,-0.1 -1,-0.2 -0.535 51.6 -94.8 -86.8 157.8 8.1 -24.1 42.9 309 617 A D + 0 0 59 -2,-0.2 3,-0.5 1,-0.2 8,-0.3 -0.603 46.9 171.9 -73.5 95.8 6.0 -23.7 46.1 310 618 A M + 0 0 57 -2,-1.3 -1,-0.2 1,-0.2 3,-0.1 0.264 54.3 94.0 -87.7 9.9 3.3 -21.4 44.7 311 619 A R S S+ 0 0 223 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.916 89.8 28.1 -70.0 -40.8 1.3 -21.8 48.0 312 620 A K > - 0 0 78 -3,-0.5 3,-1.6 1,-0.1 5,-0.4 -0.956 69.4-133.4-131.0 140.3 2.7 -18.6 49.7 313 621 A T G > S+ 0 0 52 -2,-0.4 3,-1.9 1,-0.3 5,-0.2 0.808 101.0 69.2 -57.7 -30.9 4.0 -15.4 48.4 314 622 A S G 3 S+ 0 0 15 1,-0.3 -1,-0.3 2,-0.1 427,-0.1 0.550 78.6 74.3 -76.5 -8.0 7.1 -15.6 50.7 315 623 A S G < S- 0 0 21 -3,-1.6 -1,-0.3 -6,-0.2 -2,-0.1 0.562 100.0-136.2 -67.1 -9.1 8.6 -18.5 48.9 316 624 A L <> + 0 0 0 -3,-1.9 4,-2.4 -4,-0.1 -2,-0.1 0.843 51.2 152.1 52.5 39.1 9.5 -15.8 46.3 317 625 A W H > + 0 0 19 -5,-0.4 4,-2.6 -8,-0.3 5,-0.2 0.871 70.0 54.1 -69.3 -33.4 8.4 -18.1 43.4 318 626 A K H > S+ 0 0 55 -5,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.957 111.1 45.8 -58.4 -48.6 7.4 -15.1 41.3 319 627 A D H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.882 112.9 50.4 -63.4 -40.7 10.9 -13.7 41.8 320 628 A Q H X S+ 0 0 25 -4,-2.4 4,-1.6 1,-0.2 3,-0.4 0.945 113.7 42.3 -65.8 -52.1 12.5 -17.0 41.1 321 629 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.804 108.3 62.5 -61.0 -35.3 10.7 -17.6 37.9 322 630 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.881 103.3 49.1 -60.5 -38.3 11.2 -14.0 36.9 323 631 A V H X S+ 0 0 4 -4,-1.5 4,-2.0 -3,-0.4 5,-0.2 0.959 110.4 48.7 -67.5 -50.0 15.0 -14.5 36.9 324 632 A E H X S+ 0 0 11 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.891 108.9 53.7 -61.0 -41.6 14.9 -17.6 34.8 325 633 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.953 111.0 46.8 -54.8 -48.2 12.6 -16.0 32.2 326 634 A N H X S+ 0 0 1 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.794 109.2 53.3 -69.2 -25.5 15.1 -13.2 31.9 327 635 A I H X S+ 0 0 13 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.871 109.2 51.6 -69.0 -37.5 18.0 -15.5 31.6 328 636 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -89,-0.4 0.877 107.6 49.9 -69.7 -42.2 16.2 -17.2 28.8 329 637 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.980 114.5 44.2 -59.5 -56.5 15.5 -14.1 26.8 330 638 A L H X S+ 0 0 2 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.902 115.2 50.1 -56.8 -40.9 19.1 -13.0 27.0 331 639 A Y H X S+ 0 0 85 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.904 109.7 49.1 -64.4 -45.0 20.3 -16.5 26.2 332 640 A S H X S+ 0 0 0 -4,-2.7 4,-2.0 -93,-0.3 -1,-0.2 0.918 113.4 45.9 -61.6 -44.3 18.1 -16.9 23.1 333 641 A F H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 -2,-0.2 0.905 113.5 48.2 -69.2 -45.2 19.0 -13.6 21.6 334 642 A Q H ><5S+ 0 0 78 -4,-2.2 3,-1.0 -5,-0.3 -1,-0.2 0.859 111.5 51.1 -61.6 -36.6 22.7 -14.0 22.2 335 643 A S H 3<5S+ 0 0 55 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.868 111.2 46.6 -71.7 -38.4 22.6 -17.6 20.7 336 644 A D T 3<5S- 0 0 63 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.245 115.1-121.1 -82.5 8.3 20.8 -16.4 17.6 337 645 A K T < 5 + 0 0 160 -3,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.704 62.9 144.9 55.5 28.6 23.4 -13.5 17.4 338 646 A V < - 0 0 6 -5,-2.5 -1,-0.2 -6,-0.2 -192,-0.2 -0.809 58.2-100.9 -97.0 132.5 20.8 -10.7 17.6 339 647 A T + 0 0 39 -194,-2.8 -59,-0.5 -2,-0.4 2,-0.3 -0.244 55.7 151.2 -59.5 130.6 21.9 -7.6 19.6 340 648 A I E -o 280 0J 23 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.983 28.6-148.6-151.6 151.6 20.5 -7.4 23.1 341 649 A V E -o 281 0J 32 -61,-2.4 -59,-3.4 -2,-0.3 -58,-0.2 -0.982 12.9-134.5-125.0 141.7 21.8 -5.8 26.3 342 650 A D > - 0 0 9 -2,-0.4 4,-2.5 -61,-0.2 5,-0.2 -0.572 28.2-111.1 -83.8 159.4 21.2 -6.9 29.9 343 651 A H H > S+ 0 0 0 -2,-0.2 4,-1.9 2,-0.2 5,-0.3 0.786 114.1 55.8 -60.2 -31.4 20.2 -4.5 32.7 344 652 A H H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.995 113.7 39.3 -65.7 -53.8 23.6 -4.7 34.5 345 653 A S H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.858 116.0 51.9 -60.5 -41.8 25.6 -3.7 31.4 346 654 A A H X S+ 0 0 10 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.899 113.1 42.1 -66.4 -45.7 23.0 -1.0 30.2 347 655 A T H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.853 113.5 53.4 -69.5 -38.2 22.8 0.9 33.6 348 656 A E H X S+ 0 0 128 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.939 110.6 48.0 -60.0 -46.3 26.6 0.6 34.1 349 657 A S H X S+ 0 0 42 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.849 109.1 52.9 -60.1 -40.5 27.0 2.2 30.6 350 658 A F H X S+ 0 0 0 -4,-1.6 4,-3.2 2,-0.2 -1,-0.2 0.855 104.3 55.3 -69.9 -32.9 24.5 4.9 31.4 351 659 A I H X S+ 0 0 21 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.942 109.4 47.6 -58.9 -49.5 26.4 5.9 34.6 352 660 A K H X S+ 0 0 142 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.860 112.1 50.5 -55.5 -40.2 29.5 6.3 32.4 353 661 A H H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.903 107.3 52.5 -69.1 -43.1 27.4 8.4 30.0 354 662 A M H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.959 108.1 52.6 -50.3 -54.4 26.1 10.5 32.9 355 663 A E H X S+ 0 0 62 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.941 111.2 46.5 -44.8 -56.1 29.7 11.2 33.8 356 664 A N H X S+ 0 0 56 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.866 111.9 49.4 -58.4 -46.6 30.5 12.3 30.3 357 665 A E H X>S+ 0 0 6 -4,-2.5 4,-2.3 2,-0.2 6,-1.8 0.845 111.4 49.3 -62.4 -41.0 27.5 14.6 30.0 358 666 A Y H X5S+ 0 0 16 -4,-2.6 4,-0.7 4,-0.3 -2,-0.2 0.937 116.7 42.5 -62.2 -46.0 28.2 16.2 33.3 359 667 A R H <5S+ 0 0 171 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.934 128.5 28.0 -63.3 -45.9 31.8 16.8 32.2 360 668 A C H <5S+ 0 0 86 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.623 137.5 19.3 -98.7 -17.7 31.1 17.9 28.7 361 669 A R H <5S- 0 0 49 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.479 100.0-113.7-131.3 -12.9 27.6 19.4 28.8 362 670 A G S <> - 0 0 8 -262,-2.8 4,-2.0 -2,-0.4 3,-1.4 -0.865 11.4-163.1-100.9 103.6 14.2 10.3 35.0 368 676 A W H 3> S+ 0 0 19 -2,-0.8 4,-2.1 1,-0.3 -1,-0.2 0.861 85.1 63.5 -58.0 -42.7 15.0 7.8 37.8 369 677 A V H 34 S+ 0 0 18 1,-0.2 -1,-0.3 -334,-0.2 -263,-0.1 0.787 116.1 30.4 -50.7 -33.3 11.6 6.2 37.8 370 678 A W H <4 S+ 0 0 107 -3,-1.4 -1,-0.2 -265,-0.1 -2,-0.2 0.672 113.4 60.4-100.0 -26.9 12.2 5.0 34.2 371 679 A I H < S+ 0 0 1 -4,-2.0 -2,-0.2 -266,-0.1 -3,-0.2 0.896 87.0 81.3 -73.9 -42.1 16.0 4.5 34.2 372 680 A V S < S- 0 0 16 -4,-2.1 5,-0.1 -5,-0.2 6,-0.1 -0.526 91.0-116.3 -67.6 121.9 16.0 1.9 37.1 373 681 A P - 0 0 7 0, 0.0 4,-0.2 0, 0.0 415,-0.2 -0.150 19.1-114.8 -62.2 152.3 15.2 -1.5 35.5 374 682 A P S S+ 0 0 13 0, 0.0 415,-2.2 0, 0.0 416,-0.4 0.410 99.1 49.7 -75.2 1.1 12.0 -3.3 36.7 375 683 A M S S+ 0 0 2 412,-0.2 -92,-0.1 413,-0.2 411,-0.1 -0.982 116.9 3.9-131.2 149.8 14.0 -6.1 38.3 376 684 A S S >> S+ 0 0 5 -2,-0.3 3,-1.6 1,-0.1 4,-0.7 0.748 72.2 170.1 58.6 27.9 16.9 -6.1 40.7 377 685 A G G >4 + 0 0 4 1,-0.2 3,-2.0 -4,-0.2 6,-0.5 0.854 67.7 47.2 -32.7 -64.3 16.8 -2.2 41.0 378 686 A S G 34 S+ 0 0 1 407,-2.0 -1,-0.2 1,-0.3 408,-0.1 0.590 104.9 58.7 -73.3 -9.9 19.3 -1.8 43.9 379 687 A I G <4 S+ 0 0 13 -3,-1.6 -1,-0.3 406,-0.4 -2,-0.2 0.577 93.3 77.4 -93.4 -6.7 22.0 -4.0 42.5 380 688 A T S X< S- 0 0 0 -3,-2.0 3,-0.8 -4,-0.7 4,-0.4 -0.717 89.7-124.8 -91.5 149.7 22.3 -1.9 39.3 381 689 A P G > S+ 0 0 31 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.751 101.8 70.5 -79.0 -14.5 24.2 1.3 39.9 382 690 A V G > S+ 0 0 0 1,-0.2 3,-1.3 2,-0.2 -10,-0.1 0.801 87.6 68.5 -65.0 -30.2 21.5 3.7 38.6 383 691 A F G < S+ 0 0 33 -3,-0.8 -1,-0.2 -6,-0.5 -5,-0.1 0.880 103.0 42.9 -51.2 -41.3 19.5 2.9 41.7 384 692 A H G < S+ 0 0 15 -3,-0.8 -376,-2.6 -4,-0.4 2,-0.6 0.418 96.3 99.5 -87.7 2.3 22.0 4.7 43.9 385 693 A Q B < -B 7 0B 6 -3,-1.3 -378,-0.2 -4,-0.2 2,-0.2 -0.796 67.9-139.3-101.8 116.3 22.4 7.6 41.5 386 694 A E - 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