==== 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 OXIDOREDUCTASE 14-JUN-05 1ZZU . COMPND 2 MOLECULE: NITRIC-OXIDE SYNTHASE, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.LI,M.L.FLINSPACH,J.IGARASHI,J.JAMAL,W.YANG,J.A.GOMEZ-VIDAL . 820 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 535 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 9.8 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 . 225 27.4 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 4 2 0 1 1 1 1 0 0 2 0 0 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 . 9 4 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 . 6 6 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 1 299 A R 0 0 214 0, 0.0 2,-0.8 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -65.7 21.2 27.6 40.9 2 300 A F - 0 0 126 17,-0.1 2,-0.2 13,-0.0 15,-0.2 -0.777 360.0-162.6 -89.2 109.6 24.1 25.1 40.8 3 301 A L E -A 16 0A 43 13,-1.7 13,-4.1 -2,-0.8 2,-0.4 -0.635 4.4-149.0 -95.6 150.0 22.7 21.7 41.8 4 302 A K E -A 15 0A 120 11,-0.3 2,-0.4 -2,-0.2 11,-0.2 -0.937 4.3-161.1-121.6 141.0 24.6 18.6 43.0 5 303 A V E -A 14 0A 0 9,-2.6 9,-2.8 -2,-0.4 2,-0.4 -0.969 11.5-156.2-119.4 135.8 23.8 14.9 42.6 6 304 A K E -A 13 0A 54 -2,-0.4 380,-2.0 7,-0.2 2,-0.7 -0.861 13.7-141.8-114.3 144.7 25.4 12.3 44.8 7 305 A N B > -B 385 0B 7 5,-1.9 4,-2.8 -2,-0.4 378,-0.2 -0.927 13.5-158.3-101.7 116.0 26.0 8.6 44.2 8 306 A W T 4 S+ 0 0 98 376,-2.4 377,-0.1 -2,-0.7 -1,-0.1 0.536 87.7 53.0 -74.6 -6.3 25.4 6.9 47.5 9 307 A E T 4 S+ 0 0 52 375,-0.4 -1,-0.2 372,-0.1 376,-0.1 0.831 126.8 18.7 -93.2 -38.2 27.4 3.8 46.7 10 308 A T T 4 S- 0 0 73 374,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.581 92.1-130.7-107.3 -18.2 30.6 5.6 45.6 11 309 A D < + 0 0 105 -4,-2.8 2,-0.1 1,-0.3 -3,-0.1 0.368 53.5 150.7 79.4 -3.7 30.2 9.1 47.2 12 310 A V - 0 0 66 -5,-0.2 -5,-1.9 -6,-0.1 2,-0.4 -0.399 30.8-157.1 -62.2 129.2 31.0 10.8 43.9 13 311 A V E -A 6 0A 76 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.935 7.4-166.9-114.8 133.8 29.3 14.1 43.6 14 312 A L E -A 5 0A 34 -9,-2.8 -9,-2.6 -2,-0.4 2,-0.5 -0.902 14.8-133.9-119.2 147.9 28.5 15.9 40.3 15 313 A T E -A 4 0A 62 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.3 -0.875 15.0-153.0-105.8 130.9 27.4 19.4 39.7 16 314 A D E +A 3 0A 0 -13,-4.1 -13,-1.7 -2,-0.5 347,-0.2 -0.882 33.9 147.7-106.9 123.1 24.6 20.2 37.3 17 315 A T > + 0 0 50 345,-2.4 3,-1.8 -2,-0.5 4,-0.3 0.524 61.7 82.7-120.3 -19.7 24.3 23.6 35.5 18 316 A L G > S+ 0 0 7 344,-1.9 3,-2.0 1,-0.3 4,-0.2 0.811 78.3 69.3 -57.6 -32.5 22.6 22.2 32.4 19 317 A H G > S+ 0 0 23 343,-0.3 3,-2.2 1,-0.3 -1,-0.3 0.781 83.5 72.8 -58.8 -26.0 19.2 22.4 34.0 20 318 A L G < S+ 0 0 68 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.778 93.1 54.9 -59.9 -25.1 19.4 26.1 33.9 21 319 A K G < S+ 0 0 157 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.489 81.6 127.1 -85.5 -4.2 18.9 25.9 30.2 22 320 A S < + 0 0 17 -3,-2.2 370,-0.2 -4,-0.2 -3,-0.0 -0.243 30.8 173.7 -54.8 140.0 15.7 23.9 30.8 23 321 A T + 0 0 59 368,-1.5 -1,-0.1 2,-0.1 369,-0.1 0.762 49.8 65.5-116.5 -49.6 12.7 25.4 29.1 24 322 A L S S- 0 0 43 367,-0.6 367,-0.5 1,-0.1 2,-0.1 -0.229 82.4-101.7 -77.0 166.2 9.6 23.2 29.4 25 323 A E - 0 0 134 1,-0.1 415,-0.2 365,-0.1 -1,-0.1 -0.459 13.5-149.0 -88.1 160.6 7.7 22.3 32.7 26 324 A T - 0 0 22 413,-2.2 414,-0.1 2,-0.3 413,-0.1 0.680 37.0-116.5-101.1 -24.3 8.0 19.1 34.8 27 325 A G S S+ 0 0 31 1,-0.5 2,-0.1 412,-0.4 412,-0.1 0.158 83.4 105.0 104.3 -18.3 4.5 18.8 36.3 28 326 A C - 0 0 4 410,-0.4 -1,-0.5 411,-0.1 -2,-0.3 -0.428 49.0-168.7 -90.3 168.6 5.9 19.2 39.8 29 327 A T - 0 0 47 3,-2.2 3,-0.4 -2,-0.1 408,-0.4 -0.869 44.4 -91.8-144.4 175.1 5.7 22.3 42.0 30 328 A E S S+ 0 0 59 -2,-0.3 405,-2.2 1,-0.2 406,-0.3 0.703 127.7 44.8 -67.1 -15.7 7.3 23.3 45.3 31 329 A H S S+ 0 0 86 1,-0.2 771,-0.3 403,-0.2 2,-0.3 0.639 119.4 28.5-101.3 -18.7 4.4 21.7 47.1 32 330 A I - 0 0 11 -3,-0.4 -3,-2.2 769,-0.1 2,-0.5 -0.966 60.2-147.8-151.7 132.5 3.9 18.4 45.2 33 331 A C B -C 800 0C 9 767,-2.7 767,-2.0 -2,-0.3 3,-0.2 -0.840 9.8-177.6 -98.6 127.8 6.2 16.0 43.3 34 332 A M > + 0 0 27 -2,-0.5 3,-2.1 765,-0.2 -1,-0.1 -0.057 37.0 133.7-112.3 31.1 4.6 14.2 40.4 35 333 A G T 3 S+ 0 0 23 1,-0.3 334,-0.2 765,-0.1 -1,-0.2 0.660 71.8 48.2 -54.6 -22.0 7.8 12.2 39.6 36 334 A S T 3 S+ 0 0 15 762,-0.5 2,-0.4 -3,-0.2 -1,-0.3 0.327 82.1 111.2-103.9 7.9 5.8 8.9 39.3 37 335 A I < - 0 0 13 -3,-2.1 -3,-0.1 1,-0.1 377,-0.0 -0.696 57.4-152.2 -83.0 128.8 3.1 10.1 37.0 38 336 A V S S+ 0 0 23 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.919 89.1 24.0 -67.0 -46.1 3.4 8.6 33.5 39 337 A L 0 0 99 359,-0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.733 360.0 360.0-122.6 79.5 1.8 11.4 31.6 40 338 A P 0 0 99 0, 0.0 -13,-0.1 0, 0.0 -12,-0.1 -0.271 360.0 360.0 -59.1 360.0 2.2 14.6 33.7 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 0 106 0, 0.0 4,-2.6 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 136.2 2.3 31.2 15.8 43 351 A K H 3> + 0 0 78 1,-0.3 4,-1.8 2,-0.2 38,-0.1 0.853 360.0 55.6 -56.8 -37.3 5.0 33.1 13.9 44 352 A D H 34 S+ 0 0 135 1,-0.2 -1,-0.3 2,-0.2 37,-0.0 0.832 112.2 42.7 -64.9 -33.8 5.7 35.0 17.1 45 353 A Q H <> S+ 0 0 120 -3,-0.6 4,-1.2 2,-0.1 -2,-0.2 0.859 111.2 56.4 -80.0 -38.6 6.3 31.8 19.0 46 354 A L H X S+ 0 0 18 -4,-2.6 4,-2.4 1,-0.2 3,-0.3 0.930 97.6 55.0 -63.7 -53.9 8.3 30.1 16.3 47 355 A F H X S+ 0 0 51 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.869 105.8 53.9 -53.5 -39.1 11.2 32.4 15.7 48 356 A P H > S+ 0 0 71 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.935 110.9 46.7 -60.7 -43.5 12.3 32.4 19.4 49 357 A L H X S+ 0 0 55 -4,-1.2 4,-2.2 -3,-0.3 219,-0.2 0.898 111.8 50.7 -63.7 -41.9 12.4 28.6 19.3 50 358 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.908 110.3 49.2 -64.1 -42.1 14.4 28.6 16.1 51 359 A K H X S+ 0 0 87 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.925 109.3 51.9 -63.5 -45.4 16.9 31.1 17.4 52 360 A E H X S+ 0 0 68 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.946 115.4 43.0 -54.7 -49.2 17.4 29.1 20.6 53 361 A F H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.952 114.0 47.8 -63.3 -53.1 18.0 26.0 18.5 54 362 A L H X S+ 0 0 0 -4,-3.3 4,-3.2 1,-0.2 5,-0.3 0.872 108.9 55.5 -59.4 -37.3 20.3 27.6 15.9 55 363 A D H X S+ 0 0 27 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.930 110.2 45.4 -61.9 -43.3 22.4 29.2 18.6 56 364 A Q H X S+ 0 0 46 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.876 113.6 51.1 -68.6 -33.6 23.0 25.8 20.2 57 365 A Y H X S+ 0 0 27 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.956 112.0 44.2 -67.6 -50.4 23.7 24.3 16.7 58 366 A Y H <>S+ 0 0 27 -4,-3.2 5,-2.9 1,-0.2 6,-0.3 0.835 112.2 53.8 -65.6 -27.8 26.3 27.0 15.7 59 367 A S H ><5S+ 0 0 67 -4,-1.9 3,-1.6 -5,-0.3 -1,-0.2 0.896 104.7 55.5 -70.4 -36.8 27.8 26.8 19.2 60 368 A S H 3<5S+ 0 0 58 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.775 108.9 46.9 -65.7 -26.7 28.2 23.0 18.7 61 369 A I T 3<5S- 0 0 58 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.141 116.8-113.0-101.0 19.5 30.1 23.6 15.5 62 370 A K T < 5S+ 0 0 193 -3,-1.6 -3,-0.2 -5,-0.1 -2,-0.1 0.860 90.5 107.6 52.9 42.5 32.4 26.2 17.1 63 371 A R > < + 0 0 143 -5,-2.9 3,-1.6 -6,-0.1 6,-0.3 -0.074 37.1 151.1-136.9 32.9 30.9 29.0 14.9 64 372 A F T 3 S+ 0 0 124 -6,-0.3 3,-0.1 1,-0.3 -9,-0.1 -0.489 75.1 11.4 -69.1 133.3 28.8 30.9 17.4 65 373 A G T 3 S+ 0 0 52 -2,-0.2 -1,-0.3 1,-0.2 2,-0.0 0.615 98.1 137.1 74.8 11.1 28.6 34.6 16.5 66 374 A S S <> S- 0 0 32 -3,-1.6 4,-2.1 1,-0.1 -1,-0.2 -0.230 70.1-108.9 -80.2 176.3 30.0 33.9 13.0 67 375 A K H > S+ 0 0 149 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.884 121.4 53.8 -74.1 -38.1 28.7 35.5 9.8 68 376 A A H > S+ 0 0 46 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.898 109.6 49.6 -60.2 -41.0 27.3 32.1 8.7 69 377 A H H > S+ 0 0 1 -6,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.961 114.7 42.6 -62.0 -52.4 25.5 31.9 12.1 70 378 A M H X S+ 0 0 89 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.890 114.3 52.0 -62.5 -40.7 24.1 35.4 11.7 71 379 A D H X S+ 0 0 77 -4,-3.5 4,-2.9 2,-0.2 -2,-0.2 0.968 111.0 45.8 -59.5 -55.6 23.2 34.8 8.0 72 380 A R H X S+ 0 0 10 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.905 110.1 55.6 -54.8 -43.8 21.3 31.6 8.7 73 381 A L H X S+ 0 0 20 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.908 112.3 41.9 -57.4 -44.2 19.5 33.3 11.6 74 382 A E H X S+ 0 0 93 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.888 111.1 56.5 -70.8 -39.4 18.3 36.1 9.3 75 383 A E H X S+ 0 0 87 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.923 110.8 43.4 -57.5 -46.9 17.4 33.6 6.5 76 384 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.879 112.2 53.6 -67.4 -39.4 15.2 31.6 8.8 77 385 A N H X S+ 0 0 56 -4,-1.7 4,-2.3 -5,-0.3 5,-0.2 0.946 110.6 46.4 -60.3 -48.1 13.6 34.8 10.3 78 386 A K H X S+ 0 0 136 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.896 112.9 50.6 -60.2 -41.4 12.8 36.1 6.8 79 387 A E H X S+ 0 0 52 -4,-2.0 4,-3.6 -5,-0.2 6,-0.6 0.867 109.9 49.3 -66.0 -38.8 11.4 32.7 5.8 80 388 A I H X S+ 0 0 4 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.951 110.7 48.5 -66.2 -50.0 9.1 32.4 8.9 81 389 A E H < S+ 0 0 119 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.868 121.2 39.1 -58.0 -36.3 7.7 35.9 8.5 82 390 A S H < S+ 0 0 94 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.901 133.1 20.4 -81.4 -45.0 7.0 35.0 4.8 83 391 A T H < S- 0 0 65 -4,-3.6 -3,-0.2 2,-0.4 -2,-0.2 0.373 94.9-122.6-108.5 2.9 5.9 31.4 5.1 84 392 A S S < S+ 0 0 67 -4,-3.0 2,-0.2 -5,-0.3 -4,-0.2 0.555 91.4 37.1 65.8 7.4 4.8 31.2 8.7 85 393 A T S S- 0 0 35 -6,-0.6 -2,-0.4 -5,-0.1 2,-0.3 -0.883 73.2-137.3-162.5-169.7 7.4 28.4 9.0 86 394 A Y - 0 0 0 -2,-0.2 2,-0.4 -3,-0.1 -10,-0.1 -0.988 14.7-114.5-160.4 165.5 10.8 27.2 7.9 87 395 A Q - 0 0 94 -2,-0.3 2,-0.2 182,-0.0 -8,-0.1 -0.910 26.0-130.6-112.7 133.0 12.9 24.3 6.6 88 396 A L - 0 0 6 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.506 23.1-118.9 -78.0 144.9 15.8 22.7 8.5 89 397 A K > - 0 0 100 -2,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.482 31.7-109.3 -75.9 156.1 19.1 22.1 6.7 90 398 A D H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.909 121.6 53.0 -54.5 -43.4 20.1 18.4 6.6 91 399 A T H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.887 110.5 47.6 -58.9 -39.9 22.9 19.1 9.0 92 400 A E H > S+ 0 0 1 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.887 110.5 51.6 -69.2 -40.0 20.4 20.8 11.4 93 401 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.930 111.7 46.3 -62.1 -47.4 17.9 17.9 11.1 94 402 A I H X S+ 0 0 69 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.921 114.7 47.3 -62.1 -45.4 20.6 15.3 11.9 95 403 A Y H X S+ 0 0 33 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.907 112.6 50.5 -62.7 -42.7 21.9 17.3 14.9 96 404 A G H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.907 110.3 47.7 -63.3 -43.8 18.4 17.9 16.1 97 405 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.922 111.8 49.8 -64.9 -46.0 17.4 14.2 16.0 98 406 A K H X S+ 0 0 54 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.888 112.7 48.5 -61.9 -36.4 20.5 13.1 17.8 99 407 A H H X S+ 0 0 12 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.819 102.0 60.2 -76.3 -27.0 19.9 15.7 20.4 100 408 A A H < S+ 0 0 0 -4,-1.9 296,-0.5 2,-0.2 4,-0.3 0.895 111.5 43.2 -63.3 -36.0 16.3 14.8 21.0 101 409 A W H >< S+ 0 0 36 -4,-1.5 3,-1.8 2,-0.2 -2,-0.2 0.940 110.3 54.9 -72.1 -47.2 17.7 11.3 21.9 102 410 A R H 3< S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.836 111.7 46.3 -53.4 -34.6 20.5 12.8 24.0 103 411 A N T 3< S+ 0 0 10 -4,-2.3 2,-1.3 291,-0.2 289,-0.4 0.432 77.7 117.7 -90.3 -1.4 17.8 14.8 25.9 104 412 A A X - 0 0 26 -3,-1.8 3,-1.9 -4,-0.3 6,-0.1 -0.537 46.5-167.3 -72.0 97.1 15.4 11.8 26.5 105 413 A S T 3 S+ 0 0 21 -2,-1.3 262,-2.7 1,-0.3 -1,-0.2 0.694 82.2 54.6 -60.5 -21.0 15.5 11.6 30.3 106 414 A R T 3 S+ 0 0 61 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.490 85.8 98.8 -93.2 -0.8 13.7 8.2 30.4 107 415 A C X - 0 0 40 -3,-1.9 3,-0.7 -6,-0.2 264,-0.1 -0.782 46.4-173.8 -96.5 119.9 16.2 6.5 28.1 108 416 A V T 3 S+ 0 0 24 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.618 79.7 66.1 -81.0 -14.4 18.9 4.3 29.7 109 417 A G T > + 0 0 25 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 0.192 60.7 118.4 -96.5 21.6 20.7 3.6 26.4 110 418 A R G X + 0 0 0 -3,-0.7 3,-1.9 1,-0.3 4,-0.2 0.517 50.4 85.1 -66.2 -7.0 21.9 7.2 25.6 111 419 A I G 3 S+ 0 0 51 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.784 92.9 53.9 -63.9 -19.2 25.6 6.4 25.6 112 420 A Q G X S+ 0 0 62 -3,-1.7 3,-2.2 1,-0.2 -1,-0.3 0.458 76.1 112.2 -89.7 -3.6 24.8 5.5 22.0 113 421 A W G X S+ 0 0 41 -3,-1.9 3,-1.1 1,-0.3 -1,-0.2 0.744 70.1 53.6 -43.9 -41.9 23.2 8.8 21.2 114 422 A S G 3 S+ 0 0 55 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.596 98.7 65.4 -76.0 -6.8 25.8 10.2 18.7 115 423 A K G < + 0 0 154 -3,-2.2 -1,-0.2 -17,-0.1 -2,-0.2 0.329 68.8 136.5 -98.4 11.1 25.7 7.1 16.5 116 424 A L < - 0 0 15 -3,-1.1 2,-0.6 -4,-0.2 34,-0.2 -0.303 49.6-139.1 -62.0 129.7 22.1 7.5 15.3 117 425 A Q E -d 150 0D 76 32,-1.7 34,-1.9 -2,-0.1 2,-0.6 -0.821 20.6-154.1 -89.8 120.3 21.5 6.8 11.5 118 426 A V E -d 151 0D 20 -2,-0.6 2,-0.7 32,-0.2 34,-0.2 -0.862 8.4-162.7-102.7 121.3 19.0 9.5 10.3 119 427 A F E -d 152 0D 54 32,-3.2 34,-2.6 -2,-0.6 2,-0.9 -0.902 14.3-145.1-102.7 115.6 16.8 8.8 7.3 120 428 A D E +d 153 0D 56 -2,-0.7 3,-0.3 32,-0.2 34,-0.1 -0.714 29.0 165.0 -83.3 105.0 15.3 12.0 5.9 121 429 A A > + 0 0 0 32,-2.1 3,-1.7 -2,-0.9 -1,-0.1 -0.018 35.5 119.5-108.7 28.7 11.8 11.2 4.6 122 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51.8 152.9 60.4 36.7 9.4 -15.9 46.7 317 625 A W H > S+ 0 0 21 -5,-0.4 4,-2.6 -8,-0.3 5,-0.2 0.888 70.2 53.7 -62.9 -39.8 8.2 -18.2 43.9 318 626 A K H > S+ 0 0 68 -5,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 109.5 49.4 -60.9 -40.5 7.2 -15.2 41.8 319 627 A D H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.885 111.3 47.9 -66.6 -40.9 10.8 -13.9 42.2 320 628 A Q H X S+ 0 0 36 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.937 113.0 47.4 -66.9 -45.3 12.4 -17.2 41.3 321 629 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.892 108.2 58.7 -62.0 -38.1 10.2 -17.6 38.2 322 630 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.938 104.5 48.0 -56.8 -49.9 11.0 -14.0 37.2 323 631 A V H X S+ 0 0 5 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.901 111.4 51.1 -60.1 -40.9 14.7 -14.6 37.0 324 632 A E H X S+ 0 0 20 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.901 107.3 52.2 -63.8 -42.5 14.3 -17.7 34.9 325 633 A I H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.883 113.0 46.4 -61.3 -37.1 12.0 -16.0 32.4 326 634 A N H X S+ 0 0 1 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.810 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