==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-FEB-06 2G6N . COMPND 2 MOLECULE: NITRIC-OXIDE SYNTHASE, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.LI,J.IGARASHI,J.JAMAL,W.YANG,T.L.POULOS . 822 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 547 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 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 . 68 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 11.2 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 1.9 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 5 2 0 2 0 2 0 0 0 1 1 0 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 . 10 5 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 . 7 5 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 1 299 A R 0 0 214 0, 0.0 2,-0.2 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 -86.9 21.3 27.6 40.5 2 300 A F - 0 0 132 13,-0.1 2,-0.4 17,-0.0 15,-0.2 -0.442 360.0-159.5 -63.9 127.9 24.1 24.9 40.3 3 301 A L E -A 16 0A 44 13,-1.9 13,-4.2 -2,-0.2 2,-0.4 -0.885 3.7-146.7-114.1 144.2 22.7 21.6 41.5 4 302 A K E -A 15 0A 126 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.869 6.9-164.4-111.9 144.1 24.7 18.6 42.8 5 303 A V E -A 14 0A 0 9,-2.7 9,-2.6 -2,-0.4 2,-0.3 -0.994 11.2-156.8-125.7 131.8 23.9 15.0 42.3 6 304 A K E -A 13 0A 55 -2,-0.4 382,-2.1 7,-0.2 2,-0.7 -0.814 14.6-142.1-111.8 149.2 25.6 12.3 44.4 7 305 A N B > -B 387 0B 3 5,-1.9 4,-2.3 -2,-0.3 3,-0.3 -0.950 13.8-157.1-107.2 112.9 26.1 8.6 43.8 8 306 A W T 4 S+ 0 0 89 378,-2.1 379,-0.1 -2,-0.7 -1,-0.1 0.496 89.3 50.3 -70.7 -4.3 25.8 6.9 47.2 9 307 A E T 4 S+ 0 0 45 377,-0.3 -1,-0.2 374,-0.1 378,-0.1 0.743 125.6 23.7-100.7 -32.5 27.8 3.9 46.3 10 308 A T T 4 S- 0 0 71 -3,-0.3 -2,-0.2 376,-0.2 3,-0.1 0.441 90.8-135.4-112.0 -4.6 30.8 5.8 44.9 11 309 A D < + 0 0 110 -4,-2.3 -3,-0.1 1,-0.2 2,-0.0 0.395 53.2 149.6 63.9 -5.5 30.5 9.1 46.7 12 310 A V - 0 0 60 -5,-0.2 -5,-1.9 -6,-0.1 2,-0.4 -0.347 32.6-155.7 -60.4 134.9 31.2 10.8 43.4 13 311 A V E -A 6 0A 75 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.962 8.6-168.6-119.7 131.6 29.5 14.1 43.1 14 312 A L E -A 5 0A 27 -9,-2.6 -9,-2.7 -2,-0.4 2,-0.4 -0.901 15.1-135.9-118.4 147.6 28.5 15.8 39.8 15 313 A T E -A 4 0A 60 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.874 13.8-150.7-105.4 132.4 27.4 19.4 39.3 16 314 A D E +A 3 0A 0 -13,-4.2 -13,-1.9 -2,-0.4 349,-0.2 -0.891 36.3 145.7-111.0 118.5 24.5 20.2 37.0 17 315 A T > + 0 0 43 347,-2.4 3,-2.5 -2,-0.6 4,-0.3 0.593 63.6 80.5-113.2 -25.8 24.2 23.6 35.2 18 316 A L G > S+ 0 0 4 346,-2.5 3,-1.8 1,-0.3 347,-0.2 0.771 78.0 70.2 -55.3 -29.3 22.6 22.2 32.1 19 317 A H G > S+ 0 0 24 345,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.749 84.5 73.4 -62.2 -20.2 19.2 22.2 33.8 20 318 A L G < S+ 0 0 66 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.778 90.0 56.0 -64.0 -26.8 19.4 25.9 33.5 21 319 A K G < S+ 0 0 140 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.361 82.1 128.5 -86.9 6.0 18.7 25.8 29.8 22 320 A S < + 0 0 17 -3,-1.7 372,-0.2 1,-0.1 420,-0.0 -0.312 27.7 168.9 -61.3 143.9 15.5 23.8 30.5 23 321 A T + 0 0 56 370,-1.7 -1,-0.1 2,-0.1 371,-0.1 0.683 49.4 66.6-123.8 -50.0 12.4 25.3 28.8 24 322 A L S S- 0 0 40 369,-0.9 369,-0.4 1,-0.1 2,-0.2 -0.132 84.1 -99.4 -72.5 172.2 9.5 22.9 29.1 25 323 A E - 0 0 135 367,-0.1 417,-0.2 1,-0.1 -1,-0.1 -0.513 14.9-150.2 -92.3 161.9 7.7 21.9 32.4 26 324 A T - 0 0 20 415,-2.6 416,-0.1 2,-0.3 3,-0.1 0.654 39.4-113.8-104.6 -22.4 8.2 18.8 34.4 27 325 A G S S+ 0 0 26 1,-0.5 414,-0.1 414,-0.5 2,-0.1 0.048 85.3 101.2 107.8 -23.7 4.8 18.3 36.0 28 326 A C - 0 0 4 412,-0.4 -1,-0.5 413,-0.2 -2,-0.3 -0.338 50.4-166.7 -88.5 171.9 6.1 18.9 39.5 29 327 A T B > -C 32 0C 46 3,-2.6 3,-1.5 -3,-0.1 410,-0.4 -0.911 44.6 -89.8-148.3 168.9 5.8 22.1 41.6 30 328 A E T 3 S+ 0 0 76 -2,-0.3 407,-2.2 1,-0.3 408,-0.3 0.606 128.2 42.5 -62.1 -9.5 7.5 23.3 44.8 31 329 A H T 3 S+ 0 0 80 405,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.432 119.2 32.6-115.8 -1.8 4.7 21.6 46.8 32 330 A I B < -C 29 0C 10 -3,-1.5 -3,-2.6 771,-0.1 2,-0.5 -0.969 58.5-146.9-160.4 141.1 4.3 18.3 44.9 33 331 A C B +D 802 0D 10 769,-2.4 769,-1.8 -2,-0.3 3,-0.2 -0.922 13.3 175.7-110.7 128.4 6.3 15.8 43.0 34 332 A M > + 0 0 27 -2,-0.5 3,-2.5 767,-0.2 -1,-0.1 -0.022 37.8 131.4-115.6 25.7 4.7 13.9 40.1 35 333 A G T 3 S+ 0 0 21 1,-0.3 336,-0.1 767,-0.1 -1,-0.1 0.745 71.7 49.7 -50.6 -28.6 7.9 12.1 39.2 36 334 A S T 3 S+ 0 0 16 764,-0.5 2,-0.5 -3,-0.2 -1,-0.3 0.313 82.3 110.4 -97.3 9.6 6.1 8.7 39.1 37 335 A I < - 0 0 10 -3,-2.5 -3,-0.1 1,-0.2 379,-0.0 -0.724 60.4-148.2 -85.1 129.3 3.2 9.8 36.8 38 336 A M S S+ 0 0 57 -2,-0.5 -1,-0.2 1,-0.3 -4,-0.0 0.916 91.4 26.5 -61.5 -43.3 3.5 8.2 33.3 39 337 A L 0 0 95 -3,-0.1 -1,-0.3 -12,-0.0 -12,-0.0 -0.748 360.0 360.0-125.7 84.9 1.9 11.2 31.6 40 338 A P 0 0 97 0, 0.0 -13,-0.1 0, 0.0 -12,-0.0 -0.122 360.0 360.0 -63.9 360.0 2.4 14.5 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 42 348 A V 0 0 117 0, 0.0 2,-0.1 0, 0.0 119,-0.0 0.000 360.0 360.0 360.0 147.9 -0.6 24.0 15.6 43 349 A R - 0 0 78 227,-0.2 2,-0.2 1,-0.1 228,-0.0 -0.305 360.0-127.1 -76.6 160.9 1.8 26.8 16.6 44 350 A T > - 0 0 75 1,-0.1 4,-2.4 -2,-0.1 3,-0.3 -0.555 28.8-102.9-101.9 169.5 1.5 30.4 15.4 45 351 A K H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.880 122.9 54.0 -59.1 -38.8 4.2 32.6 13.8 46 352 A D H 4 S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.850 110.8 45.4 -64.2 -36.5 4.7 34.4 17.1 47 353 A Q H > S+ 0 0 96 -3,-0.3 4,-1.0 1,-0.1 -2,-0.2 0.891 112.8 51.0 -74.1 -40.6 5.3 31.1 18.9 48 354 A L H X S+ 0 0 10 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.906 94.1 69.2 -65.6 -47.8 7.6 29.7 16.3 49 355 A F H X S+ 0 0 50 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.870 103.4 41.8 -40.1 -57.1 10.1 32.6 15.9 50 356 A P H > S+ 0 0 71 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.907 112.8 53.3 -62.7 -42.3 11.7 32.2 19.4 51 357 A L H X S+ 0 0 44 -4,-1.0 4,-2.4 1,-0.2 219,-0.2 0.932 110.4 47.7 -57.4 -47.3 11.9 28.3 19.2 52 358 A A H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.919 111.9 50.5 -61.1 -44.2 13.7 28.5 15.9 53 359 A K H X S+ 0 0 99 -4,-2.1 4,-2.8 -5,-0.3 -2,-0.2 0.951 109.3 50.8 -59.1 -50.4 16.1 31.1 17.2 54 360 A E H X S+ 0 0 51 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.919 114.1 45.1 -52.5 -48.5 16.9 28.9 20.3 55 361 A F H X S+ 0 0 2 -4,-2.4 4,-3.5 2,-0.2 3,-0.3 0.969 113.6 46.2 -62.2 -57.2 17.6 25.9 18.1 56 362 A L H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.3 5,-0.3 0.878 111.2 55.8 -55.0 -37.4 19.7 27.6 15.5 57 363 A D H X S+ 0 0 25 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.3 0.914 112.7 40.1 -62.5 -42.3 21.6 29.3 18.4 58 364 A Q H X S+ 0 0 53 -4,-2.0 4,-1.7 -3,-0.3 -2,-0.2 0.863 115.4 52.8 -75.9 -33.7 22.4 25.9 19.9 59 365 A Y H X S+ 0 0 27 -4,-3.5 4,-1.4 1,-0.2 3,-0.3 0.969 112.9 42.4 -64.5 -51.8 23.1 24.3 16.5 60 366 A Y H <>S+ 0 0 27 -4,-3.3 5,-2.8 1,-0.2 6,-0.2 0.832 111.2 56.2 -65.2 -30.1 25.5 27.0 15.5 61 367 A S H ><5S+ 0 0 68 -4,-1.5 3,-1.0 -5,-0.3 -1,-0.2 0.866 105.1 53.4 -68.0 -34.0 27.1 27.0 18.9 62 368 A S H 3<5S+ 0 0 61 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.825 108.3 47.9 -69.7 -32.6 27.7 23.3 18.5 63 369 A I T 3<5S- 0 0 63 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.278 119.0-112.5 -91.2 11.7 29.6 23.7 15.2 64 370 A K T < 5S+ 0 0 180 -3,-1.0 -3,-0.2 -5,-0.1 -2,-0.1 0.846 90.8 104.2 62.1 40.6 31.6 26.5 16.8 65 371 A R > < + 0 0 152 -5,-2.8 3,-1.1 -6,-0.1 6,-0.3 -0.172 38.4 156.3-141.3 42.6 30.2 29.4 14.8 66 372 A F T 3 S+ 0 0 132 1,-0.3 3,-0.1 -6,-0.2 -9,-0.1 -0.560 75.3 13.0 -71.4 129.3 27.9 31.1 17.2 67 373 A G T 3 S+ 0 0 50 -2,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.848 97.1 138.4 72.3 33.4 27.4 34.7 16.2 68 374 A S S <> S- 0 0 30 -3,-1.1 4,-2.8 1,-0.1 -1,-0.2 -0.625 70.4-105.6-104.0 167.8 28.9 34.2 12.7 69 375 A K H > S+ 0 0 151 1,-0.2 4,-3.8 -2,-0.2 5,-0.2 0.907 123.7 52.0 -59.3 -42.0 27.6 35.6 9.5 70 376 A A H > S+ 0 0 49 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.913 110.2 49.0 -59.5 -44.1 26.3 32.2 8.5 71 377 A H H > S+ 0 0 2 -6,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.953 116.1 42.2 -60.1 -51.2 24.5 32.0 11.9 72 378 A M H X S+ 0 0 87 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.940 114.6 50.5 -61.7 -50.1 23.0 35.4 11.4 73 379 A D H X S+ 0 0 79 -4,-3.8 4,-3.0 1,-0.2 -2,-0.2 0.951 111.7 48.7 -52.8 -52.9 22.2 34.8 7.7 74 380 A R H X S+ 0 0 8 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.910 111.3 48.9 -55.1 -47.4 20.5 31.6 8.6 75 381 A L H X S+ 0 0 30 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.910 113.4 47.5 -61.1 -41.3 18.4 33.1 11.4 76 382 A E H X S+ 0 0 98 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.904 112.0 50.6 -65.4 -41.7 17.4 35.9 9.1 77 383 A E H X S+ 0 0 85 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.943 114.0 42.7 -60.9 -51.5 16.5 33.5 6.4 78 384 A V H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.889 111.2 57.9 -62.1 -39.4 14.4 31.3 8.7 79 385 A N H X S+ 0 0 65 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.934 110.6 42.2 -55.5 -49.0 12.9 34.5 10.1 80 386 A K H X S+ 0 0 131 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.937 111.3 54.4 -64.6 -48.7 11.7 35.6 6.6 81 387 A E H X S+ 0 0 48 -4,-2.7 4,-2.0 1,-0.2 6,-0.5 0.853 108.1 50.6 -54.8 -39.1 10.5 32.1 5.7 82 388 A I H X S+ 0 0 1 -4,-2.3 4,-1.7 4,-0.2 -1,-0.2 0.926 105.0 55.8 -65.6 -46.7 8.3 32.0 8.8 83 389 A E H < S+ 0 0 112 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.852 120.8 31.3 -54.3 -36.8 6.7 35.4 8.1 84 390 A S H < S+ 0 0 97 -4,-1.7 -2,-0.2 3,-0.2 -3,-0.1 0.960 132.0 25.4 -85.6 -72.4 5.7 34.1 4.7 85 391 A T H < S- 0 0 73 -4,-2.0 -3,-0.2 2,-0.3 -2,-0.2 0.522 99.5-123.0 -73.4 -6.2 4.9 30.4 4.8 86 392 A S S < S+ 0 0 70 -4,-1.7 2,-0.3 -5,-0.5 -4,-0.2 0.900 88.6 33.1 62.1 41.4 4.2 30.5 8.6 87 393 A T S S- 0 0 26 -6,-0.5 -2,-0.3 -9,-0.2 2,-0.3 -0.948 76.0-133.4 167.7-172.5 6.9 27.9 9.1 88 394 A Y - 0 0 0 -2,-0.3 2,-0.4 -3,-0.1 -10,-0.1 -0.934 14.3-111.3-157.1 178.3 10.2 26.8 7.7 89 395 A Q - 0 0 90 -2,-0.3 2,-0.2 182,-0.0 -8,-0.1 -0.958 27.0-130.1-122.6 139.1 12.3 23.9 6.6 90 396 A L - 0 0 7 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.557 24.2-115.9 -85.2 152.3 15.4 22.6 8.4 91 397 A K > - 0 0 99 -2,-0.2 4,-2.2 1,-0.1 3,-0.2 -0.484 33.7-107.2 -78.4 160.4 18.6 22.0 6.4 92 398 A D H > S+ 0 0 101 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 122.5 54.4 -56.2 -43.0 19.6 18.3 6.4 93 399 A T H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.891 109.7 48.0 -57.5 -39.9 22.4 19.1 8.8 94 400 A E H > S+ 0 0 2 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.864 109.0 53.0 -69.4 -37.2 19.9 20.6 11.2 95 401 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.928 112.4 44.7 -63.8 -45.6 17.5 17.7 10.9 96 402 A I H X S+ 0 0 70 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.903 114.2 48.8 -65.1 -44.2 20.3 15.2 11.8 97 403 A Y H X S+ 0 0 32 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.917 113.0 48.7 -62.3 -44.0 21.6 17.4 14.6 98 404 A G H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.889 110.7 47.6 -64.5 -44.5 18.1 17.8 16.0 99 405 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.927 112.5 50.4 -64.1 -44.7 17.1 14.1 15.9 100 406 A K H X S+ 0 0 53 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.924 113.1 45.7 -60.6 -44.1 20.4 13.1 17.6 101 407 A H H X S+ 0 0 12 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.811 104.4 60.7 -70.6 -28.3 19.8 15.7 20.3 102 408 A A H < S+ 0 0 0 -4,-2.0 4,-0.5 2,-0.2 296,-0.5 0.910 111.6 41.7 -63.3 -38.7 16.2 14.7 20.8 103 409 A W H >< S+ 0 0 36 -4,-1.8 3,-1.3 2,-0.2 -2,-0.2 0.927 111.4 55.4 -70.7 -45.4 17.6 11.2 21.7 104 410 A R H 3< S+ 0 0 34 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.862 112.4 44.3 -54.1 -36.2 20.4 12.8 23.7 105 411 A N T 3< S+ 0 0 9 -4,-2.6 2,-1.4 291,-0.2 289,-0.4 0.492 78.5 115.7 -89.1 -6.4 17.7 14.7 25.7 106 412 A A X - 0 0 27 -3,-1.3 3,-2.1 -4,-0.5 6,-0.1 -0.496 47.5-168.0 -68.7 94.0 15.3 11.7 26.2 107 413 A S T 3 S+ 0 0 19 -2,-1.4 262,-2.6 1,-0.3 -1,-0.2 0.662 81.2 57.7 -59.9 -18.5 15.6 11.5 30.0 108 414 A R T 3 S+ 0 0 55 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.466 85.5 98.0 -92.9 0.2 13.8 8.1 30.1 109 415 A C X - 0 0 38 -3,-2.1 3,-0.6 -6,-0.2 264,-0.1 -0.793 46.4-175.4 -97.4 121.7 16.3 6.4 27.8 110 416 A V T 3 S+ 0 0 23 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.608 79.5 67.0 -85.9 -11.4 19.1 4.3 29.4 111 417 A G T > + 0 0 30 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.197 61.1 117.1 -96.2 21.7 20.8 3.7 26.0 112 418 A R G X + 0 0 0 -3,-0.6 3,-2.1 1,-0.3 4,-0.2 0.555 48.7 86.8 -69.2 -4.9 21.8 7.2 25.3 113 419 A I G 3 S+ 0 0 46 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.793 92.6 50.7 -63.2 -21.6 25.6 6.5 25.3 114 420 A Q G X S+ 0 0 56 -3,-1.5 3,-2.1 1,-0.2 -1,-0.3 0.310 76.8 117.9 -94.6 6.0 25.1 5.7 21.6 115 421 A W G X + 0 0 41 -3,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.804 69.0 53.0 -46.4 -43.7 23.2 8.9 20.9 116 422 A S G 3 S+ 0 0 55 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.630 99.0 64.4 -73.4 -10.9 25.7 10.3 18.4 117 423 A K G < S+ 0 0 127 -3,-2.1 -1,-0.2 -17,-0.1 -2,-0.2 0.364 70.2 136.6 -94.0 8.3 25.7 7.2 16.2 118 424 A L < - 0 0 11 -3,-1.2 2,-0.6 -4,-0.2 34,-0.2 -0.276 50.1-139.3 -57.8 128.9 22.0 7.5 15.2 119 425 A Q E -e 152 0E 78 32,-1.3 34,-1.9 -19,-0.0 2,-0.5 -0.816 19.4-154.8 -90.7 126.9 21.4 6.9 11.5 120 426 A V E -e 153 0E 18 -2,-0.6 2,-0.7 32,-0.2 34,-0.2 -0.899 8.3-161.3-108.2 126.4 18.8 9.4 10.2 121 427 A F E -e 154 0E 53 32,-3.1 34,-2.6 -2,-0.5 2,-0.9 -0.919 13.7-146.1-107.9 110.6 16.6 8.7 7.2 122 428 A 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0.540 72.2 51.4 -74.9 -10.3 4.3 13.6 14.2 275 581 A A + 0 0 0 -118,-0.2 -119,-2.4 -119,-0.2 -1,-0.2 -0.897 64.2 133.9-131.6 101.8 5.6 10.5 12.4 276 582 A C - 0 0 2 -12,-0.6 -121,-0.2 -2,-0.4 -13,-0.1 -0.372 31.0-170.0-146.9 58.7 9.2 9.6 13.4 277 583 A P - 0 0 0 0, 0.0 -123,-2.2 0, 0.0 2,-0.3 -0.248 11.2-174.9 -56.9 136.9 9.6 5.9 14.1 278 584 A F E -F 153 0E 45 -17,-2.2 -17,-0.5 -125,-0.2 2,-0.3 -0.966 7.6-169.0-135.3 153.0 12.9 5.1 15.8 279 585 A S E +F 152 0E 6 -127,-2.7 -127,-2.1 -2,-0.3 -19,-0.2 -0.971 17.4 155.4-142.6 154.2 14.6 1.9 16.7 280 586 A G - 0 0 11 -21,-1.2 2,-0.3 -2,-0.3 -130,-0.2 -0.171 52.2 -75.1-139.3-125.0 17.7 0.7 18.7 281 587 A W - 0 0 65 -2,-0.1 61,-0.1 -23,-0.1 -23,-0.1 -0.971 48.9 -88.5-147.2 156.8 18.0 -2.8 20.3 282 588 A Y - 0 0 0 -25,-0.5 61,-2.1 59,-0.5 2,-0.5 -0.264 16.3-142.7 -70.2 150.4 16.5 -4.4 23.4 283 589 A M B >> -o 343 0L 17 59,-0.2 3,-1.8 1,-0.1 4,-0.6 -0.943 36.4-118.7-104.0 131.3 17.7 -4.4 27.0 284 590 A G H >> S+ 0 0 1 59,-2.9 4,-2.0 -2,-0.5 3,-1.2 0.811 106.5 59.4 -39.9 -51.3 16.8 -7.9 28.2 285 591 A T H 3>>S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 5,-1.9 0.738 89.9 71.1 -54.6 -29.8 14.4 -6.9 31.0 286 592 A E H <4>S+ 0 0 24 -3,-1.8 5,-2.3 3,-0.2 -1,-0.2 0.903 114.8 25.7 -55.4 -41.6 12.0 -5.1 28.6 287 593 A I H <<>S+ 0 0 0 -3,-1.2 5,-2.4 -4,-0.6 6,-0.3 0.952 128.6 41.3 -84.6 -61.1 10.9 -8.4 27.3 288 594 A G H <5S+ 0 0 0 -4,-2.0 5,-0.2 3,-0.2 -3,-0.2 0.836 128.3 26.6 -59.4 -41.7 11.6 -10.8 30.1 289 595 A V T X5S+ 0 0 0 -4,-1.9 4,-0.8 -5,-0.3 5,-0.2 0.936 134.3 23.7 -88.2 -57.7 10.3 -8.7 33.0 290 596 A R H ><>S- 0 0 6 -4,-1.7 5,-1.2 -5,-0.2 3,-1.0 -0.306 71.4-129.0 -55.8 148.2 3.6 -8.0 33.7 295 601 A N T 3 5S+ 0 0 67 1,-0.2 -1,-0.2 3,-0.1 497,-0.0 0.857 109.5 47.0 -70.5 -31.4 0.1 -9.2 34.9 296 602 A S T 3 5S+ 0 0 48 2,-0.0 -1,-0.2 -107,-0.0 -105,-0.1 0.220 114.1 51.4 -93.9 13.9 -1.5 -7.2 32.1 297 603 A R T < 5S- 0 0 30 -3,-1.0 -5,-0.2 -107,-0.1 -6,-0.1 0.037 129.8 -37.0-117.5-130.6 0.9 -8.4 29.4 298 604 A Y T 5S- 0 0 20 -7,-2.4 -6,-0.2 -8,-0.2 -5,-0.1 0.699 70.7-160.6 -72.4 -16.2 1.8 -12.0 28.6 299 605 A N < + 0 0 69 -5,-1.2 4,-0.3 -9,-0.3 -6,-0.2 0.851 28.7 155.9 37.9 64.0 1.6 -12.8 32.4 300 606 A I > + 0 0 2 -8,-2.6 4,-1.6 1,-0.1 -7,-0.2 0.247 32.9 102.3-103.0 12.7 3.7 -16.0 32.3 301 607 A L H > S+ 0 0 7 -9,-0.2 4,-2.9 -8,-0.2 3,-0.3 0.976 81.0 46.8 -60.9 -60.5 5.1 -16.2 35.8 302 608 A E H > S+ 0 0 102 1,-0.2 4,-3.1 2,-0.2 3,-0.4 0.947 112.2 50.7 -44.6 -63.3 2.8 -18.9 37.3 303 609 A E H > S+ 0 0 81 1,-0.3 4,-1.9 -4,-0.3 -1,-0.2 0.850 114.3 45.1 -44.8 -43.0 3.1 -21.2 34.3 304 610 A V H X S+ 0 0 1 -4,-1.6 4,-1.3 -3,-0.3 -1,-0.3 0.862 111.5 51.1 -72.6 -36.2 6.9 -20.9 34.5 305 611 A A H <>S+ 0 0 0 -4,-2.9 5,-1.5 -3,-0.4 4,-0.3 0.880 108.5 53.9 -67.5 -37.0 7.0 -21.4 38.3 306 612 A K H ><5S+ 0 0 112 -4,-3.1 3,-3.3 -5,-0.3 -2,-0.2 0.984 107.4 48.3 -58.2 -60.2 4.8 -24.5 37.9 307 613 A K H 3<5S+ 0 0 97 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.769 110.4 52.9 -51.2 -29.8 7.2 -26.1 35.3 308 614 A M T 3<5S- 0 0 36 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.537 109.1-133.2 -83.4 -6.7 10.0 -25.3 37.7 309 615 A D T < 5 + 0 0 145 -3,-3.3 2,-0.3 -4,-0.3 -3,-0.2 0.961 45.8 162.4 51.3 61.0 8.0 -27.1 40.4 310 616 A L < - 0 0 41 -5,-1.5 2,-1.2 9,-0.0 -1,-0.2 -0.786 51.7 -95.9-107.3 153.1 8.5 -24.4 43.0 311 617 A D + 0 0 56 -2,-0.3 3,-0.5 1,-0.2 8,-0.3 -0.554 44.8 172.7 -71.9 98.1 6.3 -23.9 46.1 312 618 A M + 0 0 50 -2,-1.2 -1,-0.2 1,-0.2 3,-0.1 0.231 51.3 99.9 -90.8 14.3 3.8 -21.4 45.0 313 619 A R S S+ 0 0 223 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.879 89.0 21.7 -67.5 -40.5 1.8 -21.7 48.2 314 620 A K S > S- 0 0 84 -3,-0.5 3,-1.6 1,-0.1 5,-0.4 -0.986 70.1-130.9-133.4 143.0 3.1 -18.6 49.9 315 621 A T G > S+ 0 0 48 -2,-0.4 3,-2.7 1,-0.3 5,-0.2 0.833 99.1 73.5 -58.3 -35.1 4.8 -15.5 48.5 316 622 A S G 3 S+ 0 0 12 1,-0.3 -1,-0.3 2,-0.1 428,-0.1 0.526 81.2 69.8 -61.2 -6.4 7.7 -15.7 51.0 317 623 A S G < S- 0 0 21 -3,-1.6 -1,-0.3 -6,-0.2 -2,-0.2 0.607 100.8-137.0 -83.3 -11.0 9.2 -18.6 49.1 318 624 A L <> + 0 0 0 -3,-2.7 4,-2.8 -4,-0.2 5,-0.2 0.787 50.8 151.8 60.7 31.4 10.0 -16.0 46.4 319 625 A W H > S+ 0 0 20 -5,-0.4 4,-2.7 -8,-0.3 5,-0.3 0.899 70.8 55.4 -56.9 -42.1 8.9 -18.3 43.6 320 626 A K H > S+ 0 0 55 1,-0.2 4,-2.4 -5,-0.2 -1,-0.2 0.915 111.0 44.2 -56.8 -45.2 7.9 -15.3 41.6 321 627 A D H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.919 111.9 52.4 -66.6 -46.0 11.4 -13.9 41.9 322 628 A Q H X S+ 0 0 33 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.927 114.0 42.6 -55.1 -49.8 13.1 -17.2 41.2 323 629 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.910 107.4 61.1 -63.8 -46.5 11.1 -17.7 38.0 324 630 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.916 106.9 46.6 -47.2 -49.5 11.5 -14.1 37.0 325 631 A V H X S+ 0 0 4 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.916 110.5 49.9 -62.7 -46.9 15.3 -14.5 36.9 326 632 A E H X S+ 0 0 22 -4,-1.7 4,-2.3 2,-0.2 3,-0.4 0.952 110.9 50.9 -58.1 -48.9 15.4 -17.8 35.0 327 633 A I H >X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.3 3,-0.6 0.967 110.1 48.2 -51.2 -60.3 13.1 -16.3 32.3 328 634 A N H 3X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.3 -1,-0.3 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0 2 0, 0.0 2,-0.3 0, 0.0 -128,-0.2 0.529 89.6 159.7 -56.5 158.5 3.2 16.1 61.8 808 703 B S E -C 678 0V 8 -130,-1.7 -130,-2.9 -2,-0.2 2,-0.5 -0.992 48.3-116.0-158.0 163.4 6.3 14.5 60.2 809 704 B F E -C 677 0V 30 -296,-0.4 2,-0.3 -2,-0.3 -132,-0.2 -0.896 39.6-176.2-100.9 132.2 9.6 12.7 60.5 810 705 B E E -C 676 0V 49 -134,-2.8 -134,-2.8 -2,-0.5 2,-0.2 -0.838 26.6-110.4-126.0 161.8 12.5 14.8 59.1 811 706 B Y - 0 0 96 -2,-0.3 -136,-0.1 -136,-0.2 -361,-0.0 -0.498 33.8-171.2 -84.4 160.3 16.2 14.2 58.6 812 707 B Q - 0 0 28 -138,-0.3 -138,-0.0 -2,-0.2 0, 0.0 -0.974 32.4 -85.8-149.0 155.1 18.6 16.1 60.8 813 708 B P - 0 0 85 0, 0.0 5,-0.1 0, 0.0 0, 0.0 -0.281 53.9 -94.8 -60.4 147.2 22.4 16.5 60.7 814 709 B D >> - 0 0 57 1,-0.1 3,-1.3 2,-0.1 4,-0.5 -0.422 37.5-124.9 -60.0 139.9 24.5 13.8 62.5 815 710 B P H >> S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 3,-1.2 0.830 104.4 66.1 -59.5 -35.8 25.1 15.2 66.0 816 711 B W H 34 S+ 0 0 47 1,-0.3 -2,-0.1 2,-0.2 -236,-0.0 0.722 98.5 57.1 -62.6 -16.7 28.9 14.9 65.8 817 712 B N H <4 S+ 0 0 113 -3,-1.3 -1,-0.3 1,-0.1 -3,-0.1 0.752 121.0 22.9 -83.2 -24.7 28.9 17.6 63.1 818 713 B T H << S+ 0 0 90 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.1 0.609 89.3 116.7-117.8 -15.8 27.1 20.2 65.2 819 714 B H < - 0 0 27 -4,-2.8 2,-0.9 1,-0.1 -245,-0.0 -0.322 56.4-140.1 -63.9 132.7 27.7 19.4 68.9 820 715 B V - 0 0 114 -187,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.813 25.6-136.8 -91.5 103.0 29.6 21.8 71.0 821 716 B W - 0 0 109 -2,-0.9 -187,-0.1 1,-0.1 -1,-0.0 -0.398 17.6-167.4 -65.7 134.7 31.8 19.6 73.2 822 717 B K 0 0 125 -2,-0.1 -1,-0.1 1,-0.1 -188,-0.0 0.605 360.0 360.0 -96.5 -15.3 31.9 20.6 76.8 823 718 B G 0 0 125 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.246 360.0 360.0 91.4 360.0 34.8 18.4 77.8 824 !* 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 0.0 825 770 A R 0 0 91 0, 0.0 -565,-0.1 0, 0.0 -538,-0.1 0.000 360.0 360.0 360.0 360.0 9.3 -1.8 24.8 826 !* 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 0.0 827 771 B R 0 0 89 0, 0.0 -156,-0.1 0, 0.0 -129,-0.1 0.000 360.0 360.0 360.0 360.0 17.2 -0.2 57.5