==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/INHIBITOR 28-APR-11 3RQM . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.LI,S.L.DELKER,T.L.POULOS . 818 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 547 66.9 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 . 86 10.5 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 . 71 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 10.8 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 6 2 0 2 0 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 8 4 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 0 211 0, 0.0 2,-0.4 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -33.4 20.5 27.8 41.0 2 300 A F - 0 0 131 17,-0.1 2,-0.4 18,-0.0 15,-0.2 -0.885 360.0-154.6 -93.9 133.9 23.5 25.5 40.6 3 301 A L E -A 16 0A 42 13,-2.0 13,-4.0 -2,-0.4 2,-0.3 -0.908 9.8-144.9-125.0 140.4 22.5 22.0 41.7 4 302 A K E -A 15 0A 125 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.757 7.0-166.9-101.7 142.2 24.3 18.9 43.1 5 303 A V E -A 14 0A 0 9,-2.8 9,-3.0 -2,-0.3 2,-0.4 -0.999 12.9-157.4-124.2 134.7 23.5 15.2 42.5 6 304 A K E -A 13 0A 58 -2,-0.4 380,-2.0 7,-0.2 2,-0.6 -0.875 15.0-142.9-113.2 138.4 25.2 12.6 44.7 7 305 A N B > -B 385 0B 4 5,-2.6 4,-1.8 -2,-0.4 378,-0.2 -0.907 14.3-159.4 -93.1 122.9 25.9 9.0 44.0 8 306 A W T 4 S+ 0 0 89 376,-2.8 377,-0.1 -2,-0.6 -1,-0.1 0.633 87.2 52.1 -83.3 -14.5 25.3 7.3 47.4 9 307 A E T 4 S+ 0 0 50 375,-0.3 -1,-0.2 372,-0.2 376,-0.1 0.844 125.7 22.2 -81.2 -39.3 27.3 4.2 46.6 10 308 A T T 4 S- 0 0 72 2,-0.1 -2,-0.2 374,-0.1 3,-0.1 0.527 92.9-130.3-108.1 -11.1 30.5 6.0 45.4 11 309 A D < + 0 0 108 -4,-1.8 2,-0.2 1,-0.2 -3,-0.1 0.418 55.0 150.7 67.2 2.7 30.1 9.4 47.2 12 310 A V - 0 0 62 -5,-0.1 -5,-2.6 -6,-0.1 2,-0.5 -0.455 31.0-158.2 -67.0 127.2 30.8 11.1 43.8 13 311 A V E -A 6 0A 75 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.939 6.7-167.6-110.7 130.2 29.0 14.5 43.6 14 312 A L E -A 5 0A 32 -9,-3.0 -9,-2.8 -2,-0.5 2,-0.5 -0.890 15.2-134.8-115.5 148.3 28.2 16.2 40.3 15 313 A T E -A 4 0A 61 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.909 14.8-152.5-106.3 123.6 27.1 19.7 39.7 16 314 A D E +A 3 0A 0 -13,-4.0 -13,-2.0 -2,-0.5 347,-0.2 -0.839 33.7 149.2 -99.1 121.4 24.2 20.4 37.2 17 315 A T > + 0 0 43 345,-2.8 3,-1.2 -2,-0.6 4,-0.4 0.429 60.4 82.7-116.1 -10.4 24.1 23.7 35.4 18 316 A L G > S+ 0 0 6 344,-2.0 3,-1.4 1,-0.3 4,-0.4 0.794 77.3 71.3 -71.2 -22.1 22.4 22.4 32.3 19 317 A H G > S+ 0 0 21 343,-0.3 3,-1.5 1,-0.3 -1,-0.3 0.764 84.2 68.0 -62.7 -27.6 18.9 22.6 33.9 20 318 A L G < S+ 0 0 56 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.795 95.2 56.6 -66.0 -26.8 19.0 26.4 33.8 21 319 A K G < S+ 0 0 138 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.671 85.2 113.6 -73.2 -16.8 18.8 26.1 30.0 22 320 A S < + 0 0 14 -3,-1.5 370,-0.2 -4,-0.4 418,-0.0 -0.190 38.3 173.8 -61.4 147.9 15.5 24.0 30.5 23 321 A T + 0 0 66 368,-1.3 -1,-0.1 2,-0.1 369,-0.1 0.767 46.3 72.7-122.4 -52.5 12.4 25.7 29.2 24 322 A L S S- 0 0 56 367,-0.5 367,-0.4 1,-0.1 2,-0.2 -0.122 81.6 -98.4 -71.1 165.5 9.3 23.5 29.4 25 323 A E - 0 0 131 1,-0.1 415,-0.2 365,-0.1 414,-0.1 -0.623 15.2-151.4 -96.9 148.2 7.4 22.5 32.6 26 324 A T - 0 0 16 413,-2.9 414,-0.1 -2,-0.2 413,-0.1 0.714 37.9-117.0 -85.1 -26.9 7.7 19.2 34.6 27 325 A G S S+ 0 0 30 1,-0.5 412,-0.1 412,-0.3 2,-0.1 -0.019 82.5 109.2 98.7 -27.6 4.3 18.9 36.1 28 326 A C - 0 0 3 410,-0.3 -1,-0.5 411,-0.1 2,-0.2 -0.403 47.3-170.4 -76.1 157.7 5.8 19.2 39.6 29 327 A T - 0 0 43 3,-2.9 408,-0.3 -3,-0.1 406,-0.2 -0.780 43.9 -94.0-128.2-177.8 5.4 22.3 41.9 30 328 A E S S+ 0 0 62 -2,-0.2 405,-2.6 1,-0.2 406,-0.2 0.719 128.1 42.6 -68.6 -20.1 6.9 23.4 45.2 31 329 A H S S+ 0 0 85 1,-0.2 771,-0.4 403,-0.2 2,-0.4 0.702 120.2 32.9 -97.7 -22.7 4.0 21.7 46.9 32 330 A I - 0 0 7 769,-0.1 -3,-2.9 405,-0.0 2,-0.5 -0.990 60.6-148.5-144.2 132.3 3.6 18.5 44.9 33 331 A C B -C 800 0C 11 767,-3.0 767,-1.9 -2,-0.4 3,-0.2 -0.877 9.8-177.9 -99.8 126.9 5.9 16.1 43.1 34 332 A M > + 0 0 31 -2,-0.5 3,-2.2 765,-0.2 -1,-0.1 0.020 39.6 129.2-109.5 24.2 4.5 14.3 40.0 35 333 A G T 3 S+ 0 0 22 1,-0.3 -1,-0.2 765,-0.1 334,-0.1 0.723 74.0 46.3 -50.1 -30.0 7.7 12.2 39.4 36 334 A S T 3 S+ 0 0 17 762,-0.5 2,-0.4 -3,-0.2 -1,-0.3 0.364 84.8 107.2-102.1 8.6 5.7 9.0 39.2 37 335 A I < - 0 0 14 -3,-2.2 -3,-0.1 1,-0.1 377,-0.0 -0.735 60.4-149.9 -85.6 128.1 2.9 10.2 36.9 38 336 A M S S+ 0 0 65 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.928 92.2 25.5 -65.6 -45.4 3.2 8.8 33.4 39 337 A L 0 0 90 -12,-0.0 -1,-0.3 359,-0.0 -12,-0.0 -0.794 360.0 360.0-118.7 82.6 1.6 11.8 31.5 40 338 A P 0 0 94 0, 0.0 -13,-0.1 0, 0.0 -12,-0.1 -0.334 360.0 360.0 -77.3 360.0 2.1 14.8 33.9 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 0 116 0, 0.0 4,-1.9 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 164.8 1.9 30.9 15.3 43 351 A K H > + 0 0 81 1,-0.2 4,-1.4 2,-0.2 38,-0.1 0.758 360.0 57.3 -63.4 -28.8 4.7 33.0 13.7 44 352 A D H 4 S+ 0 0 136 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.795 112.0 40.3 -71.5 -34.6 5.2 34.8 17.0 45 353 A Q H > S+ 0 0 125 -3,-0.5 4,-1.0 2,-0.1 -2,-0.2 0.800 111.2 58.9 -82.6 -32.4 5.8 31.6 18.9 46 354 A L H X S+ 0 0 19 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.853 94.9 58.0 -74.6 -38.0 7.9 30.0 16.2 47 355 A F H X S+ 0 0 48 -4,-1.4 4,-2.9 1,-0.2 5,-0.2 0.899 103.9 50.6 -66.2 -40.1 10.8 32.4 15.8 48 356 A P H > S+ 0 0 76 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.898 113.5 48.6 -58.6 -37.6 12.0 32.3 19.4 49 357 A L H X S+ 0 0 57 -4,-1.0 4,-2.1 2,-0.2 219,-0.2 0.934 112.5 46.5 -67.2 -46.1 12.0 28.5 19.1 50 358 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.933 113.7 48.9 -59.3 -48.4 13.9 28.5 15.8 51 359 A K H X S+ 0 0 89 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.896 109.2 52.0 -60.7 -44.4 16.5 31.1 17.2 52 360 A E H X S+ 0 0 63 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.917 114.3 44.3 -57.8 -45.8 17.1 29.1 20.4 53 361 A F H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.939 113.5 48.0 -64.9 -45.8 17.7 26.0 18.3 54 362 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.864 108.5 55.9 -70.5 -33.4 20.0 27.6 15.7 55 363 A D H X S+ 0 0 28 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.934 110.5 44.1 -60.3 -46.5 22.0 29.3 18.4 56 364 A Q H X S+ 0 0 47 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.908 113.4 52.0 -70.4 -35.6 22.7 25.9 20.0 57 365 A Y H X S+ 0 0 23 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.948 112.0 44.4 -59.5 -50.5 23.4 24.4 16.6 58 366 A Y H <>S+ 0 0 28 -4,-3.0 5,-3.2 1,-0.2 6,-0.4 0.862 112.2 53.6 -67.6 -34.5 26.0 27.1 15.6 59 367 A S H ><5S+ 0 0 66 -4,-2.3 3,-1.5 4,-0.2 -1,-0.2 0.898 104.7 55.4 -57.7 -44.4 27.5 26.9 19.1 60 368 A S H 3<5S+ 0 0 59 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.819 108.9 46.1 -62.6 -32.8 27.9 23.1 18.6 61 369 A I T 3<5S- 0 0 66 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.125 117.6-113.0 -98.4 21.4 29.9 23.6 15.3 62 370 A K T < 5S+ 0 0 189 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.818 90.0 110.2 51.9 39.8 32.0 26.3 17.0 63 371 A R > < + 0 0 144 -5,-3.2 3,-1.6 -6,-0.1 6,-0.4 0.006 36.9 151.9-127.5 27.8 30.6 29.0 14.7 64 372 A F T 3 S+ 0 0 127 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.365 73.4 8.0 -65.6 135.5 28.5 31.0 17.2 65 373 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.692 97.9 136.8 64.7 21.5 28.1 34.6 16.3 66 374 A S S <> S- 0 0 33 -3,-1.6 4,-2.5 1,-0.1 3,-0.4 -0.545 72.2-104.6 -91.9 162.3 29.7 34.1 12.9 67 375 A K H > S+ 0 0 155 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.901 123.4 53.5 -52.8 -42.3 28.4 35.6 9.7 68 376 A A H > S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.872 109.6 49.5 -61.3 -37.9 27.0 32.2 8.6 69 377 A H H > S+ 0 0 1 -6,-0.4 4,-2.2 -3,-0.4 -2,-0.2 0.970 113.4 44.2 -59.8 -55.2 25.1 32.0 12.0 70 378 A M H X S+ 0 0 89 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.907 113.8 51.9 -60.3 -42.4 23.7 35.5 11.6 71 379 A D H X S+ 0 0 74 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.863 109.5 47.7 -63.1 -42.4 22.8 34.9 7.9 72 380 A R H X S+ 0 0 8 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.871 110.0 53.1 -68.7 -35.8 20.9 31.6 8.7 73 381 A L H X S+ 0 0 21 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.935 112.4 45.5 -62.5 -43.4 19.0 33.3 11.5 74 382 A E H X S+ 0 0 96 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.936 111.6 51.8 -62.8 -46.4 17.9 36.1 9.0 75 383 A E H X S+ 0 0 85 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.883 112.9 44.7 -58.3 -42.5 17.0 33.5 6.4 76 384 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.880 112.1 52.4 -72.3 -39.2 14.8 31.6 8.8 77 385 A N H X S+ 0 0 53 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.925 111.2 47.0 -59.4 -47.5 13.3 34.8 10.1 78 386 A K H X S+ 0 0 133 -4,-3.0 4,-1.7 1,-0.2 5,-0.2 0.899 112.7 49.6 -60.8 -41.6 12.4 35.8 6.5 79 387 A E H X S+ 0 0 52 -4,-1.9 4,-2.9 -5,-0.2 6,-0.6 0.874 111.4 47.7 -70.1 -39.1 11.0 32.4 5.7 80 388 A I H X S+ 0 0 3 -4,-2.5 4,-2.4 4,-0.2 -1,-0.2 0.937 111.9 51.6 -63.9 -46.1 8.8 32.3 8.9 81 389 A E H < S+ 0 0 126 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.825 120.9 32.1 -59.7 -35.6 7.6 35.8 8.1 82 390 A S H < S+ 0 0 99 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.874 134.0 24.8 -91.3 -42.6 6.6 35.0 4.5 83 391 A T H < S- 0 0 70 -4,-2.9 -3,-0.2 2,-0.4 -2,-0.2 0.555 94.2-123.3-104.4 -12.2 5.6 31.3 4.8 84 392 A S S < S+ 0 0 66 -4,-2.4 2,-0.2 -5,-0.4 -4,-0.2 0.370 89.6 37.9 79.6 -2.4 4.5 30.9 8.5 85 393 A T S S- 0 0 37 -6,-0.6 -2,-0.4 -9,-0.0 2,-0.3 -0.852 72.9-136.7-152.4-173.5 7.0 28.1 8.9 86 394 A Y - 0 0 0 -2,-0.2 2,-0.4 -3,-0.1 -10,-0.1 -0.972 13.8-119.2-151.3 169.7 10.5 27.1 7.8 87 395 A Q - 0 0 93 -2,-0.3 2,-0.2 182,-0.0 -8,-0.1 -0.913 26.4-128.3-113.0 133.9 12.5 24.1 6.5 88 396 A L - 0 0 7 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.572 22.7-117.9 -75.2 143.0 15.5 22.6 8.4 89 397 A K > - 0 0 98 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.485 31.1-110.5 -68.3 152.0 18.8 22.1 6.6 90 398 A D H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.886 121.4 53.7 -52.1 -44.5 19.9 18.4 6.5 91 399 A T H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 110.2 47.2 -59.6 -40.3 22.7 19.3 8.9 92 400 A E H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.839 110.3 52.1 -68.5 -39.0 20.2 20.8 11.3 93 401 A L H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.916 111.2 46.0 -63.8 -46.3 17.8 17.9 11.1 94 402 A I H X S+ 0 0 69 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.930 115.2 47.6 -61.9 -47.6 20.5 15.3 11.8 95 403 A Y H X S+ 0 0 31 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.915 113.2 49.0 -56.8 -49.2 21.7 17.4 14.7 96 404 A G H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.881 111.0 48.1 -60.2 -44.2 18.2 17.9 16.0 97 405 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.918 112.0 49.8 -65.5 -42.7 17.3 14.2 15.9 98 406 A K H X S+ 0 0 53 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.905 112.9 47.4 -64.1 -40.0 20.5 13.2 17.7 99 407 A H H X S+ 0 0 12 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.820 103.2 60.0 -72.4 -31.7 19.8 15.8 20.4 100 408 A A H < S+ 0 0 0 -4,-2.1 296,-0.4 2,-0.2 4,-0.4 0.943 111.1 43.3 -58.2 -44.5 16.2 14.8 20.9 101 409 A W H >< S+ 0 0 32 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.951 111.6 53.5 -63.0 -47.1 17.6 11.3 21.8 102 410 A R H 3< S+ 0 0 33 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.849 112.1 46.5 -55.5 -35.5 20.4 13.0 23.9 103 411 A N T 3< S+ 0 0 10 -4,-2.5 2,-1.2 291,-0.2 289,-0.4 0.449 77.9 116.6 -87.4 -4.0 17.6 14.9 25.8 104 412 A A X - 0 0 25 -3,-1.8 3,-2.1 -4,-0.4 6,-0.1 -0.513 47.4-167.6 -72.1 95.3 15.3 11.9 26.3 105 413 A S T 3 S+ 0 0 18 -2,-1.2 262,-2.7 1,-0.3 -1,-0.2 0.704 81.8 55.3 -64.8 -15.5 15.4 11.8 30.2 106 414 A R T 3 S+ 0 0 82 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.421 85.3 99.4 -93.7 -1.8 13.7 8.3 30.3 107 415 A C X - 0 0 38 -3,-2.1 3,-0.7 -6,-0.2 264,-0.1 -0.814 46.2-174.2 -97.6 117.2 16.2 6.6 28.0 108 416 A V T 3 S+ 0 0 23 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.630 80.5 66.6 -74.7 -17.0 19.0 4.5 29.6 109 417 A G T > + 0 0 28 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.254 60.2 117.3 -94.8 16.5 20.7 3.8 26.3 110 418 A R G X + 0 0 0 -3,-0.7 3,-2.2 1,-0.3 4,-0.2 0.539 50.1 86.5 -67.7 -4.7 21.8 7.4 25.6 111 419 A I G 3 S+ 0 0 45 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.839 94.0 51.5 -56.5 -23.7 25.6 6.6 25.6 112 420 A Q G X S+ 0 0 51 -3,-1.8 3,-2.5 1,-0.2 -1,-0.3 0.407 75.3 116.0 -88.7 -0.2 24.8 5.8 22.0 113 421 A W T < S+ 0 0 38 -3,-2.2 -1,-0.2 1,-0.3 -11,-0.2 0.704 72.6 51.0 -56.2 -29.3 23.1 9.1 21.2 114 422 A S T 3 S+ 0 0 54 -3,-0.4 2,-1.0 -4,-0.2 -1,-0.3 0.619 95.9 72.4 -85.6 -10.8 25.6 10.3 18.6 115 423 A K < + 0 0 124 -3,-2.5 2,-0.4 -17,-0.1 34,-0.2 -0.836 67.9 131.8-101.8 88.9 25.6 7.1 16.5 116 424 A L - 0 0 18 -2,-1.0 2,-0.6 32,-0.1 34,-0.2 -0.961 51.3-140.7-143.3 122.8 22.1 7.4 15.0 117 425 A Q E -d 150 0D 76 32,-2.2 34,-2.3 -2,-0.4 2,-0.6 -0.774 20.2-154.1 -86.9 121.6 21.4 7.0 11.3 118 426 A V E -d 151 0D 20 -2,-0.6 2,-0.7 32,-0.2 34,-0.2 -0.878 4.7-160.1-102.5 122.0 18.9 9.6 10.3 119 427 A F E -d 152 0D 52 32,-3.7 34,-2.7 -2,-0.6 2,-0.9 -0.916 13.0-145.0 -99.9 113.9 16.7 8.8 7.2 120 428 A D E +d 153 0D 56 -2,-0.7 3,-0.3 32,-0.2 34,-0.1 -0.691 30.2 163.7 -83.1 104.0 15.2 12.0 5.8 121 429 A A > + 0 0 0 32,-1.9 3,-1.7 -2,-0.9 -1,-0.1 -0.028 33.7 120.3-108.4 28.7 11.7 11.2 4.5 122 430 A R T 3 + 0 0 41 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-767,-1.9 -767,-3.0 -2,-0.5 2,-0.3 -0.934 30.9 138.6-110.7 124.7 4.4 13.2 46.9 801 698 B Y - 0 0 2 -2,-0.5 2,-0.6 -769,-0.2 -285,-0.2 -0.960 48.2-102.7-156.1 168.5 3.8 16.1 49.2 802 699 B R + 0 0 90 -369,-0.5 -370,-0.6 -771,-0.4 -369,-0.5 -0.837 33.2 176.6-108.7 119.9 4.5 17.0 52.8 803 700 B L - 0 0 13 -2,-0.6 -372,-0.1 -289,-0.4 -289,-0.0 -0.881 28.4 -99.7-112.4 152.1 1.9 16.9 55.5 804 701 B T S S+ 0 0 43 -2,-0.3 2,-0.2 2,-0.1 -127,-0.1 -0.880 95.3 60.8-113.7 155.0 2.5 17.6 59.3 805 702 B P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -128,-0.2 0.548 89.1 166.0 -53.2 155.0 2.8 16.1 61.8 806 703 B S E -B 676 0S 9 -130,-1.6 -130,-2.9 -2,-0.2 2,-0.5 -0.964 45.5-125.6-148.4 159.4 6.0 14.6 60.2 807 704 B F E -B 675 0S 31 -296,-0.5 2,-0.4 -2,-0.3 -132,-0.2 -0.959 36.1-171.0-100.7 128.6 9.2 12.8 60.6 808 705 B E E -B 674 0S 52 -134,-2.9 -134,-3.0 -2,-0.5 2,-0.1 -0.910 25.5-113.8-120.5 149.6 12.2 14.7 59.2 809 706 B Y E -B 673 0S 111 -2,-0.4 -136,-0.1 -136,-0.2 -361,-0.0 -0.439 34.4-165.2 -66.7 143.4 15.8 13.8 58.5 810 707 B Q - 0 0 8 -138,-0.5 -138,-0.0 -2,-0.1 -1,-0.0 -0.979 27.5 -95.4-129.5 154.6 18.3 15.7 60.7 811 708 B P - 0 0 79 0, 0.0 5,-0.1 0, 0.0 0, 0.0 -0.331 53.0 -89.1 -64.8 148.7 22.1 16.1 60.4 812 709 B D >> - 0 0 34 1,-0.1 3,-1.4 2,-0.1 4,-0.6 -0.348 36.3-129.8 -56.2 135.3 24.3 13.7 62.4 813 710 B P H >> S+ 0 0 3 0, 0.0 4,-3.0 0, 0.0 3,-0.7 0.751 100.9 69.7 -68.5 -25.4 24.9 15.2 65.8 814 711 B W H 34 S+ 0 0 43 1,-0.2 -2,-0.1 2,-0.2 -236,-0.0 0.774 98.4 54.7 -63.1 -21.8 28.7 14.8 65.7 815 712 B N H <4 S+ 0 0 113 -3,-1.4 -1,-0.2 1,-0.1 -3,-0.1 0.794 120.7 26.8 -77.0 -29.2 28.7 17.4 63.0 816 713 B T H << S+ 0 0 87 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.1 0.693 89.0 119.4-110.1 -23.5 26.9 20.0 65.0 817 714 B H < - 0 0 28 -4,-3.0 2,-0.9 1,-0.1 -184,-0.0 -0.165 54.1-142.3 -59.7 132.3 27.6 19.2 68.7 818 715 B V - 0 0 117 -187,-0.2 2,-0.2 -246,-0.1 -1,-0.1 -0.841 24.9-137.5 -89.4 102.9 29.3 21.8 71.0 819 716 B W - 0 0 112 -2,-0.9 -187,-0.1 1,-0.2 0, 0.0 -0.447 20.2-172.3 -67.4 126.5 31.6 19.6 73.1 820 717 B K 0 0 118 -2,-0.2 -1,-0.2 0, 0.0 -188,-0.0 0.785 360.0 360.0 -90.1 -30.8 31.5 20.7 76.8 821 718 B G 0 0 124 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.299 360.0 360.0 98.2 360.0 34.4 18.3 77.7