==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-JUN-12 4FVZ . 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) . 35214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 540 66.0 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 . 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 . 66 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.1 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 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 . 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 . 9 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 . 7 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 0 224 0, 0.0 2,-0.6 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -19.5 20.9 27.2 41.7 2 300 A F - 0 0 135 17,-0.1 2,-0.3 18,-0.0 15,-0.2 -0.972 360.0-144.3 -91.8 118.4 23.9 25.2 40.4 3 301 A L E -A 16 0A 38 13,-1.8 13,-4.3 -2,-0.6 2,-0.3 -0.638 11.7-143.0-101.2 145.1 22.7 21.8 41.6 4 302 A K E -A 15 0A 145 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.781 7.9-163.6-100.1 142.8 24.6 18.8 43.0 5 303 A V E -A 14 0A 0 9,-2.6 9,-3.0 -2,-0.3 2,-0.4 -0.998 12.5-154.6-122.6 132.2 23.8 15.1 42.3 6 304 A K E -A 13 0A 57 -2,-0.4 380,-2.4 7,-0.2 2,-0.6 -0.885 13.6-147.0-110.0 136.7 25.4 12.5 44.6 7 305 A N B > -B 385 0B 4 5,-2.8 4,-2.1 -2,-0.4 378,-0.2 -0.941 15.2-160.0 -94.0 120.6 26.1 8.9 43.9 8 306 A W T 4 S+ 0 0 73 376,-2.4 377,-0.1 -2,-0.6 -1,-0.1 0.505 86.6 49.6 -84.8 -12.5 25.6 7.3 47.3 9 307 A E T 4 S+ 0 0 45 375,-0.3 -1,-0.2 372,-0.2 376,-0.1 0.698 128.3 22.7 -95.1 -30.9 27.5 4.1 46.5 10 308 A T T 4 S- 0 0 76 374,-0.2 -2,-0.2 2,-0.2 3,-0.1 0.543 92.3-134.1-109.2 -10.4 30.6 6.0 45.2 11 309 A D < + 0 0 100 -4,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.465 50.7 154.7 60.2 3.4 30.1 9.4 46.8 12 310 A V - 0 0 59 -5,-0.1 -5,-2.8 -6,-0.1 2,-0.5 -0.458 29.2-157.5 -59.4 125.2 30.9 11.0 43.4 13 311 A V E -A 6 0A 81 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.941 6.6-165.2-108.1 129.0 29.2 14.4 43.4 14 312 A L E -A 5 0A 26 -9,-3.0 -9,-2.6 -2,-0.5 2,-0.5 -0.932 14.0-136.8-115.8 141.6 28.3 16.0 40.0 15 313 A T E -A 4 0A 82 -2,-0.4 2,-0.6 -11,-0.2 -11,-0.2 -0.864 16.8-152.7 -96.1 125.0 27.4 19.7 39.5 16 314 A D E +A 3 0A 0 -13,-4.3 -13,-1.8 -2,-0.5 347,-0.2 -0.873 34.3 148.9-101.7 120.3 24.5 20.3 37.1 17 315 A T > + 0 0 60 345,-2.9 3,-1.7 -2,-0.6 4,-0.4 0.554 60.4 82.2-113.0 -16.9 24.2 23.6 35.2 18 316 A L G > S+ 0 0 8 344,-2.0 3,-1.6 1,-0.3 4,-0.2 0.806 78.9 70.6 -62.0 -28.3 22.5 22.3 32.1 19 317 A H G > S+ 0 0 17 343,-0.3 3,-1.9 1,-0.3 -1,-0.3 0.766 85.0 66.8 -61.0 -27.2 19.1 22.6 33.9 20 318 A L G < S+ 0 0 72 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.800 95.4 56.6 -67.4 -24.4 19.2 26.3 33.8 21 319 A K G < S+ 0 0 147 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.523 84.6 136.6 -76.2 -4.1 18.9 26.0 30.0 22 320 A S < - 0 0 19 -3,-1.9 370,-0.2 -4,-0.2 -3,-0.1 -0.098 31.6-177.7 -53.7 138.7 15.7 24.1 30.7 23 321 A T + 0 0 42 368,-2.1 369,-0.1 2,-0.1 -1,-0.1 0.877 50.4 41.8-103.4 -79.0 12.7 25.0 28.6 24 322 A L S S- 0 0 46 367,-0.4 367,-0.3 1,-0.1 2,-0.2 0.141 84.7 -91.8 -66.3 178.6 9.4 23.2 29.2 25 323 A E - 0 0 125 1,-0.1 415,-0.2 365,-0.1 -1,-0.1 -0.627 18.1-147.6 -94.7 155.7 7.6 22.4 32.5 26 324 A T - 0 0 18 413,-2.4 414,-0.1 2,-0.2 3,-0.1 0.678 37.3-116.3 -93.6 -23.5 7.9 19.1 34.6 27 325 A G S S+ 0 0 31 1,-0.5 412,-0.1 412,-0.3 2,-0.1 0.055 83.2 108.1 100.1 -23.8 4.5 18.9 36.2 28 326 A C - 0 0 2 410,-0.3 -1,-0.5 5,-0.1 2,-0.3 -0.378 47.2-171.7 -73.0 157.9 6.0 19.2 39.7 29 327 A T - 0 0 48 3,-2.3 408,-0.4 -3,-0.1 406,-0.1 -0.825 44.5 -95.5-130.5-178.0 5.6 22.3 41.9 30 328 A E S S+ 0 0 65 -2,-0.3 405,-2.5 1,-0.2 406,-0.2 0.735 126.1 48.1 -67.8 -20.9 7.3 23.2 45.2 31 329 A H S S+ 0 0 71 1,-0.2 771,-0.4 403,-0.2 2,-0.4 0.750 119.5 26.1 -88.8 -26.0 4.2 21.8 46.9 32 330 A I - 0 0 10 769,-0.1 -3,-2.3 399,-0.0 2,-0.5 -0.979 63.2-143.3-149.1 126.6 3.9 18.5 45.1 33 331 A C B -C 800 0C 11 767,-2.9 767,-2.0 -2,-0.4 3,-0.2 -0.799 12.6-178.7 -89.3 129.5 6.2 16.1 43.3 34 332 A M > + 0 0 25 -2,-0.5 3,-2.5 765,-0.2 -1,-0.1 0.127 37.3 131.3-114.1 18.4 4.7 14.4 40.3 35 333 A G T 3 S+ 0 0 22 1,-0.3 334,-0.2 765,-0.1 -1,-0.1 0.667 72.7 46.5 -40.7 -31.6 7.8 12.3 39.5 36 334 A S T 3 S+ 0 0 17 762,-0.6 2,-0.4 -3,-0.2 -1,-0.3 0.342 80.0 113.4-106.2 9.3 5.9 9.0 39.1 37 335 A I < - 0 0 11 -3,-2.5 -3,-0.0 1,-0.1 377,-0.0 -0.676 57.4-150.6 -75.5 126.9 3.0 10.3 36.9 38 336 A M S S+ 0 0 50 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.0 0.908 92.7 23.1 -59.3 -46.7 3.3 8.6 33.4 39 337 A L 0 0 102 359,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.728 360.0 360.0-125.2 76.3 1.7 11.5 31.5 40 338 A P 0 0 94 0, 0.0 -13,-0.1 0, 0.0 -12,-0.1 -0.108 360.0 360.0 -79.6 360.0 2.2 14.6 33.8 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 0 108 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 168.5 1.3 30.6 15.4 43 351 A K H > + 0 0 102 1,-0.2 4,-1.5 2,-0.2 38,-0.1 0.809 360.0 61.5 -57.3 -36.0 4.0 32.6 13.7 44 352 A D H 4 S+ 0 0 141 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.793 108.2 38.8 -66.9 -33.8 4.5 34.3 17.1 45 353 A Q H > S+ 0 0 116 -3,-0.2 4,-1.3 2,-0.1 -1,-0.2 0.816 109.3 63.9 -84.1 -32.1 5.5 31.2 18.9 46 354 A L H X S+ 0 0 18 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.886 93.4 55.3 -67.8 -42.8 7.5 29.7 16.1 47 355 A F H X S+ 0 0 51 -4,-1.5 4,-3.1 2,-0.2 5,-0.3 0.932 106.8 48.0 -63.3 -47.4 10.4 32.3 15.7 48 356 A P H > S+ 0 0 75 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.959 114.7 48.1 -51.8 -49.1 11.7 32.2 19.3 49 357 A L H X S+ 0 0 54 -4,-1.3 4,-1.9 1,-0.2 219,-0.2 0.884 113.1 48.5 -57.5 -40.5 11.6 28.4 19.1 50 358 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.951 113.6 45.6 -64.5 -51.7 13.4 28.5 15.8 51 359 A K H X S+ 0 0 89 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.893 109.3 54.5 -57.2 -48.6 16.1 30.9 17.0 52 360 A E H X S+ 0 0 66 -4,-2.9 4,-1.6 -5,-0.3 -1,-0.2 0.931 113.2 43.8 -54.4 -48.2 16.7 29.1 20.2 53 361 A F H X S+ 0 0 5 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.935 113.7 48.2 -62.2 -49.2 17.4 25.9 18.2 54 362 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.844 107.3 58.0 -63.7 -35.7 19.6 27.5 15.6 55 363 A D H X S+ 0 0 29 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.921 109.3 43.5 -59.1 -47.0 21.6 29.3 18.3 56 364 A Q H X S+ 0 0 51 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.900 112.3 54.8 -70.1 -35.8 22.5 25.9 19.9 57 365 A Y H X S+ 0 0 27 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.946 111.3 42.4 -55.5 -52.0 23.2 24.4 16.4 58 366 A Y H <>S+ 0 0 28 -4,-2.6 5,-3.4 1,-0.2 6,-0.4 0.780 113.4 53.7 -70.5 -26.7 25.7 27.1 15.4 59 367 A S H ><5S+ 0 0 67 -4,-1.6 3,-1.7 -5,-0.2 -1,-0.2 0.914 104.7 55.1 -68.3 -42.7 27.2 26.9 18.8 60 368 A S H 3<5S+ 0 0 51 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.779 110.5 45.2 -62.7 -27.6 27.7 23.2 18.5 61 369 A I T 3<5S- 0 0 61 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.138 118.6-109.3-102.9 19.6 29.6 23.6 15.2 62 370 A K T < 5S+ 0 0 177 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.879 91.0 109.1 55.9 46.9 31.8 26.5 16.7 63 371 A R > < + 0 0 136 -5,-3.4 3,-2.0 -6,-0.1 6,-0.3 0.061 35.2 153.1-137.1 22.9 30.1 29.2 14.6 64 372 A F T 3 S+ 0 0 135 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.386 77.0 7.0 -57.6 124.9 28.1 31.1 17.1 65 373 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.670 96.3 138.3 73.0 18.1 27.7 34.7 16.0 66 374 A S <> - 0 0 31 -3,-2.0 4,-2.8 1,-0.1 3,-0.5 -0.540 69.2-109.9 -85.6 161.4 29.2 34.1 12.5 67 375 A K H > S+ 0 0 146 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.879 122.1 57.4 -61.5 -36.9 27.7 35.6 9.4 68 376 A A H > S+ 0 0 48 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.864 110.4 45.7 -58.0 -38.1 26.6 32.1 8.3 69 377 A H H > S+ 0 0 2 -3,-0.5 4,-2.2 -6,-0.3 -2,-0.2 0.970 114.4 45.7 -64.5 -56.5 24.7 32.0 11.7 70 378 A M H X S+ 0 0 86 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.901 113.8 51.1 -58.1 -37.9 23.2 35.5 11.3 71 379 A D H X S+ 0 0 79 -4,-3.4 4,-2.9 2,-0.2 -1,-0.2 0.915 108.4 48.6 -64.6 -48.9 22.2 34.8 7.7 72 380 A R H X S+ 0 0 11 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.914 109.3 55.7 -58.9 -39.9 20.4 31.5 8.5 73 381 A L H X S+ 0 0 19 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.875 111.6 42.2 -61.6 -39.2 18.6 33.3 11.2 74 382 A E H X S+ 0 0 102 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.945 112.8 53.1 -70.0 -47.7 17.3 36.0 8.8 75 383 A E H X S+ 0 0 97 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.846 112.9 44.7 -56.8 -39.1 16.5 33.4 6.1 76 384 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.921 112.2 51.3 -72.9 -44.8 14.4 31.4 8.6 77 385 A N H X S+ 0 0 34 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.901 110.6 48.6 -57.4 -42.4 12.7 34.5 9.9 78 386 A K H X S+ 0 0 139 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.874 109.8 53.1 -66.0 -34.8 11.8 35.6 6.4 79 387 A E H X S+ 0 0 53 -4,-1.4 4,-3.0 -5,-0.2 6,-0.6 0.827 111.9 44.8 -70.8 -32.7 10.5 32.1 5.7 80 388 A I H X S+ 0 0 4 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.943 110.4 52.6 -74.9 -50.5 8.2 32.2 8.8 81 389 A E H < S+ 0 0 140 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.817 123.9 32.5 -49.3 -33.1 7.0 35.8 8.1 82 390 A S H < S+ 0 0 96 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.937 133.8 19.8 -92.6 -61.1 6.1 34.5 4.6 83 391 A T H < S- 0 0 76 -4,-3.0 -3,-0.2 2,-0.4 -2,-0.1 0.589 91.3-127.1 -90.7 -14.0 5.1 30.8 4.7 84 392 A S S < S+ 0 0 61 -4,-1.9 2,-0.2 -5,-0.5 -4,-0.2 0.411 89.2 49.5 70.1 1.3 4.2 30.6 8.4 85 393 A T S S- 0 0 35 -6,-0.6 -2,-0.4 -9,-0.0 2,-0.3 -0.763 72.7-148.2-137.7-168.0 6.6 27.6 8.8 86 394 A Y - 0 0 0 -2,-0.2 2,-0.4 -3,-0.1 -10,-0.1 -0.967 14.3-116.8-157.0 169.4 10.2 26.9 7.7 87 395 A Q - 0 0 93 -2,-0.3 2,-0.4 182,-0.0 -8,-0.1 -0.873 23.5-126.5-113.0 142.9 12.2 23.9 6.5 88 396 A L - 0 0 7 -2,-0.4 2,-0.1 1,-0.0 179,-0.0 -0.699 22.3-120.6 -83.1 137.9 15.3 22.4 8.3 89 397 A K > - 0 0 97 -2,-0.4 4,-2.1 1,-0.1 3,-0.3 -0.413 32.3-111.3 -60.1 151.6 18.6 22.0 6.5 90 398 A D H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 119.7 55.2 -53.0 -46.7 19.6 18.3 6.5 91 399 A T H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.861 110.5 45.7 -58.0 -38.0 22.5 19.0 8.8 92 400 A E H > S+ 0 0 1 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.805 110.5 53.5 -71.6 -36.9 20.0 20.6 11.3 93 401 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.937 110.9 45.9 -65.7 -47.1 17.6 17.8 11.0 94 402 A I H X S+ 0 0 69 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.948 115.0 46.9 -61.2 -52.5 20.3 15.3 11.8 95 403 A Y H X S+ 0 0 28 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.915 111.5 53.0 -51.1 -46.1 21.5 17.4 14.7 96 404 A G H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.888 111.7 43.9 -63.7 -40.6 17.9 17.9 15.9 97 405 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.902 111.9 51.8 -70.7 -40.9 17.2 14.1 16.0 98 406 A K H X S+ 0 0 55 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.917 114.2 46.0 -62.5 -40.3 20.5 13.2 17.6 99 407 A H H X S+ 0 0 13 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.797 103.4 59.4 -74.6 -30.4 19.8 15.7 20.3 100 408 A A H < S+ 0 0 0 -4,-1.7 296,-0.4 2,-0.2 4,-0.3 0.911 111.0 44.0 -62.6 -41.2 16.2 14.8 20.9 101 409 A W H >< S+ 0 0 36 -4,-1.8 3,-1.9 2,-0.2 -2,-0.2 0.945 110.7 55.4 -63.5 -50.3 17.5 11.3 21.8 102 410 A R H 3< S+ 0 0 32 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.864 110.9 45.9 -45.9 -39.6 20.3 13.0 23.8 103 411 A N T 3< S+ 0 0 10 -4,-2.3 2,-0.9 291,-0.2 289,-0.4 0.462 78.3 118.8 -85.7 -1.5 17.5 14.8 25.8 104 412 A A X - 0 0 25 -3,-1.9 3,-1.9 -4,-0.3 6,-0.1 -0.515 45.4-168.2 -77.0 103.5 15.3 11.8 26.4 105 413 A S T 3 S+ 0 0 23 -2,-0.9 262,-2.3 1,-0.3 -1,-0.2 0.790 82.2 53.3 -69.4 -23.8 15.3 11.7 30.2 106 414 A R T 3 S+ 0 0 54 260,-0.2 2,-0.7 264,-0.1 -1,-0.3 0.392 86.1 98.5 -87.8 0.5 13.7 8.2 30.3 107 415 A C X - 0 0 38 -3,-1.9 3,-0.7 -6,-0.2 264,-0.1 -0.827 45.6-174.8-101.0 117.4 16.2 6.5 28.0 108 416 A V T 3 S+ 0 0 24 -2,-0.7 3,-0.4 1,-0.2 -1,-0.1 0.563 80.1 69.1 -77.9 -10.1 18.9 4.5 29.7 109 417 A G T > + 0 0 30 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.232 59.8 113.8 -95.3 17.8 20.5 3.8 26.3 110 418 A R G X + 0 0 0 -3,-0.7 3,-2.6 1,-0.3 -1,-0.2 0.571 49.3 87.2 -76.8 -4.8 21.7 7.3 25.5 111 419 A I G 3 S+ 0 0 49 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.829 94.9 51.4 -56.1 -21.4 25.5 6.6 25.7 112 420 A Q G X S+ 0 0 47 -3,-1.6 3,-2.5 1,-0.2 -1,-0.3 0.441 74.9 119.1 -88.5 0.9 24.8 5.7 22.1 113 421 A W T < S+ 0 0 43 -3,-2.6 -11,-0.2 1,-0.3 -1,-0.2 0.669 70.8 52.0 -56.2 -27.5 23.0 9.0 21.2 114 422 A S T 3 S+ 0 0 58 -3,-0.3 2,-1.1 -4,-0.2 -1,-0.3 0.610 92.4 73.7 -90.1 -11.1 25.4 10.2 18.5 115 423 A K < + 0 0 124 -3,-2.5 2,-0.4 -17,-0.1 34,-0.3 -0.767 66.7 137.1 -92.9 82.5 25.4 7.0 16.4 116 424 A L - 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0 0 6 -5,-2.4 -1,-0.2 -6,-0.2 -192,-0.2 -0.896 58.0-108.1 -94.4 120.7 20.5 -10.6 17.8 339 647 A T + 0 0 38 -194,-3.0 -59,-0.5 -2,-0.6 2,-0.3 -0.210 53.3 155.3 -45.7 134.8 22.0 -7.6 19.7 340 648 A I - 0 0 24 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.956 29.3-143.5-157.3 151.2 20.6 -7.3 23.2 341 649 A V B -o 281 0J 27 -61,-2.6 -59,-3.0 -2,-0.3 2,-0.2 -0.971 12.9-134.7-120.6 136.5 21.9 -5.6 26.4 342 650 A D > - 0 0 13 -2,-0.4 4,-2.6 -61,-0.2 5,-0.2 -0.524 29.3-110.5 -77.5 157.3 21.4 -6.9 30.0 343 651 A H H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.785 114.9 55.7 -59.9 -27.0 20.4 -4.4 32.8 344 652 A H H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.986 112.9 39.8 -68.0 -55.7 23.8 -4.5 34.5 345 653 A S H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.901 116.1 51.7 -57.8 -45.6 25.7 -3.6 31.4 346 654 A A H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.942 113.3 43.2 -58.0 -50.5 23.1 -1.0 30.3 347 655 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.911 112.1 52.7 -69.7 -43.1 23.1 0.8 33.7 348 656 A E H X S+ 0 0 135 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.939 112.0 48.2 -53.2 -46.1 26.9 0.7 34.1 349 657 A S H X S+ 0 0 41 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.890 108.9 52.1 -62.5 -43.2 27.0 2.3 30.6 350 658 A F H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.842 105.7 54.9 -61.9 -36.5 24.5 5.0 31.4 351 659 A I H X S+ 0 0 19 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.943 110.0 45.9 -61.3 -49.7 26.5 5.9 34.6 352 660 A K H X S+ 0 0 127 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.886 112.1 53.4 -58.2 -39.6 29.6 6.5 32.3 353 661 A H H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.971 107.4 50.1 -59.3 -52.1 27.3 8.4 29.9 354 662 A M H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.915 110.8 49.1 -52.4 -48.4 26.1 10.7 32.8 355 663 A E H X S+ 0 0 78 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.874 110.4 51.6 -60.4 -37.5 29.7 11.4 33.8 356 664 A N H X S+ 0 0 45 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.948 113.0 44.3 -60.8 -50.7 30.5 12.2 30.2 357 665 A E H X>S+ 0 0 8 -4,-2.5 4,-2.4 2,-0.2 6,-1.8 0.792 108.0 59.0 -63.2 -37.8 27.6 14.7 29.9 358 666 A Y H X5S+ 0 0 15 -4,-2.6 4,-0.7 4,-0.3 -1,-0.2 0.950 116.0 33.0 -61.4 -45.9 28.3 16.2 33.3 359 667 A R H <5S+ 0 0 183 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.836 128.8 37.2 -80.5 -28.1 31.8 17.2 32.2 360 668 A C H <5S+ 0 0 85 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.835 134.9 15.7 -91.9 -32.6 31.1 17.9 28.5 361 669 A R H <5S- 0 0 43 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.463 100.9-111.1-121.0 -10.4 27.6 19.4 28.6 362 670 A G S <> - 0 0 8 -262,-2.3 4,-2.4 -2,-0.4 3,-1.5 -0.854 13.1-163.2-100.3 102.8 14.1 10.3 35.1 368 676 A W H 3> S+ 0 0 17 -2,-0.8 4,-2.1 1,-0.3 -1,-0.2 0.848 85.7 62.0 -62.7 -36.5 15.1 7.9 37.9 369 677 A V H 34 S+ 0 0 22 1,-0.2 -1,-0.3 2,-0.2 -263,-0.1 0.821 114.6 33.4 -57.2 -36.1 11.7 6.1 37.9 370 678 A W H <4 S+ 0 0 113 -3,-1.5 -2,-0.2 -265,-0.1 -1,-0.2 0.787 115.1 57.9 -88.0 -34.2 12.3 5.0 34.3 371 679 A I H < S+ 0 0 1 -4,-2.4 -2,-0.2 -266,-0.1 -3,-0.2 0.836 87.2 79.5 -70.3 -36.0 16.0 4.5 34.4 372 680 A V S < S- 0 0 15 -4,-2.1 5,-0.1 -5,-0.2 6,-0.1 -0.621 91.3-115.6 -76.4 123.7 16.2 2.0 37.3 373 681 A P - 0 0 7 0, 0.0 415,-0.2 0, 0.0 4,-0.2 -0.209 18.1-116.2 -59.3 155.3 15.3 -1.5 35.8 374 682 A P S S+ 0 0 13 0, 0.0 415,-2.2 0, 0.0 416,-0.4 0.262 98.0 50.2 -82.2 6.4 12.1 -3.2 37.0 375 683 A M S S+ 0 0 2 412,-0.2 411,-0.1 413,-0.2 -92,-0.1 -0.964 117.6 3.6-132.1 156.0 14.1 -6.1 38.5 376 684 A S S >> S+ 0 0 4 -2,-0.3 3,-1.5 1,-0.1 4,-0.5 0.740 74.1 171.3 50.4 30.6 17.1 -6.1 40.9 377 685 A G G >4 + 0 0 5 1,-0.3 3,-1.9 407,-0.2 6,-0.5 0.856 68.0 45.1 -35.7 -60.4 17.0 -2.3 41.1 378 686 A S G 34 S+ 0 0 2 407,-1.9 -1,-0.3 1,-0.3 6,-0.1 0.589 102.3 63.1 -76.0 -13.7 19.5 -1.7 43.9 379 687 A I G <4 S+ 0 0 13 -3,-1.5 -1,-0.3 406,-0.4 -2,-0.2 0.500 92.8 79.5 -86.4 -1.3 22.2 -4.1 42.6 380 688 A T S X< S- 0 0 1 -3,-1.9 3,-1.2 -4,-0.5 4,-0.5 -0.812 86.9-128.8 -98.1 144.0 22.4 -1.7 39.5 381 689 A P G > S+ 0 0 33 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.802 102.7 70.0 -68.3 -27.8 24.5 1.4 40.0 382 690 A V G > S+ 0 0 0 1,-0.2 3,-1.2 2,-0.2 -10,-0.1 0.775 88.0 67.7 -56.8 -28.3 21.7 3.7 38.7 383 691 A F G < S+ 0 0 34 -3,-1.2 -1,-0.2 -6,-0.5 -5,-0.1 0.899 104.4 41.6 -55.7 -43.9 19.7 2.9 41.9 384 692 A H G < S+ 0 0 14 -3,-1.0 -376,-2.4 -4,-0.5 2,-0.7 0.371 96.0 100.1 -86.1 -0.8 22.2 4.8 44.0 385 693 A Q B < -B 7 0B 4 -3,-1.2 -378,-0.2 -4,-0.3 2,-0.1 -0.826 67.5-138.8 -96.0 114.7 22.6 7.6 41.6 386 694 A E - 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