==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 12-NOV-10 2XXY . COMPND 2 MOLECULE: GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR N.NAYEEM,O.MAYANS,T.GREEN . 994 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 679 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 0 0.0 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 . 61 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 7 4 0 8 1 6 5 3 1 4 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 0 4 3 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 PARALLEL BRIDGES PER LADDER . 16 8 4 8 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 . 4 4 4 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 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 1 432 A S 0 0 115 0, 0.0 46,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 117.2 -27.0 21.1 -16.2 2 433 A L E -a 47 0A 14 44,-2.4 46,-2.4 1,-0.1 2,-0.8 -0.428 360.0-138.7 -78.0 130.9 -24.0 18.7 -16.8 3 434 A I E -a 48 0A 31 -2,-0.2 77,-3.0 44,-0.2 78,-1.6 -0.751 22.3-163.4 -85.3 110.8 -22.0 18.3 -20.0 4 435 A V E -ab 49 81A 0 44,-2.4 46,-3.0 -2,-0.8 2,-0.2 -0.843 1.8-158.7-102.3 112.8 -21.4 14.6 -20.5 5 436 A T E +ab 50 82A 0 76,-2.5 78,-1.9 -2,-0.7 2,-0.3 -0.602 27.1 144.8 -84.0 148.1 -18.7 13.6 -23.0 6 437 A T E -a 51 0A 3 44,-1.4 46,-3.4 -2,-0.2 2,-0.3 -0.885 32.5-129.3-163.3-168.2 -18.8 10.1 -24.5 7 438 A I - 0 0 18 76,-0.3 2,-0.2 -2,-0.3 6,-0.1 -0.991 30.9 -92.0-162.5 144.6 -18.1 8.1 -27.6 8 439 A L + 0 0 72 -2,-0.3 6,-0.2 4,-0.1 2,-0.2 -0.440 56.7 143.7 -66.1 128.9 -19.8 5.6 -30.0 9 440 A E B >> -E 13 0B 33 4,-3.2 4,-2.1 -2,-0.2 3,-1.8 -0.635 50.3 -89.0-171.2 107.7 -19.0 2.0 -29.0 10 441 A E T 34 S- 0 0 109 1,-0.3 183,-0.1 2,-0.2 4,-0.1 -0.407 105.4 -2.1 -62.5 130.7 -21.3 -1.1 -29.1 11 442 A P T 34 S+ 0 0 3 0, 0.0 20,-2.4 0, 0.0 -1,-0.3 -0.886 128.2 62.4-103.0 21.8 -23.0 -1.8 -26.8 12 443 A Y T <4 S- 0 0 0 -3,-1.8 20,-1.8 1,-0.3 21,-1.1 0.940 120.6 -1.9 -69.8 -49.7 -21.9 1.1 -24.5 13 444 A V B < S+E 9 0B 0 -4,-2.1 -4,-3.2 19,-0.2 2,-0.3 -0.991 75.4 147.2-144.9 137.4 -23.1 3.9 -26.6 14 445 A L E -F 29 0C 37 15,-1.8 15,-2.2 -2,-0.3 2,-0.3 -0.971 51.2 -88.8-165.8 150.8 -24.7 4.0 -30.1 15 446 A F E -F 28 0C 101 -2,-0.3 13,-0.3 13,-0.2 12,-0.1 -0.506 48.8-124.0 -65.5 123.7 -27.2 5.8 -32.2 16 447 A K - 0 0 68 11,-2.6 2,-0.4 -2,-0.3 6,-0.1 -0.253 24.4-119.9 -63.1 154.5 -30.7 4.4 -31.6 17 448 A K + 0 0 93 748,-0.3 748,-0.3 11,-0.0 2,-0.3 -0.827 48.0 133.3-101.5 140.0 -32.5 3.2 -34.7 18 449 A S - 0 0 62 -2,-0.4 4,-0.1 1,-0.1 746,-0.0 -0.950 55.1-118.4-163.5-176.0 -35.9 4.6 -35.8 19 450 A D S S+ 0 0 116 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.699 94.5 60.4-104.8 -28.6 -37.9 5.8 -38.8 20 451 A K S S- 0 0 154 1,-0.1 -1,-0.2 0, 0.0 0, 0.0 -0.924 100.7 -90.6-112.9 120.8 -38.5 9.4 -37.6 21 452 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.292 39.6-148.0 -27.7 137.3 -35.6 11.8 -36.9 22 453 A L - 0 0 55 -6,-0.1 2,-0.3 -4,-0.1 -4,-0.0 -0.889 12.7-168.4-116.4 145.1 -34.1 11.9 -33.4 23 454 A Y > - 0 0 174 -2,-0.3 3,-1.5 0, 0.0 4,-0.2 -0.906 46.4 -8.3-133.8 159.3 -32.6 14.9 -31.6 24 455 A G G > S- 0 0 38 -2,-0.3 3,-1.6 1,-0.2 4,-0.1 -0.208 124.2 -12.2 56.2-142.2 -30.6 15.6 -28.4 25 456 A N G > S+ 0 0 44 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.506 123.1 74.9 -71.5 -6.5 -30.2 12.8 -25.9 26 457 A D G < S+ 0 0 96 -3,-1.5 -1,-0.3 1,-0.2 -10,-0.2 0.674 78.4 78.0 -77.2 -17.5 -32.8 10.5 -27.6 27 458 A R G < S+ 0 0 78 -3,-1.6 -11,-2.6 -4,-0.2 2,-0.4 0.704 91.2 68.0 -59.0 -21.0 -30.2 9.9 -30.3 28 459 A F E < +F 15 0C 1 -3,-0.9 2,-0.3 -13,-0.3 -13,-0.2 -0.822 47.4 159.4-119.4 143.1 -28.5 7.5 -28.0 29 460 A E E +F 14 0C 32 -15,-2.2 -15,-1.8 -2,-0.4 2,-0.1 -0.847 26.4 101.5-138.1 176.6 -29.0 4.1 -26.3 30 461 A G S > S- 0 0 0 -2,-0.3 4,-2.5 -17,-0.2 3,-0.4 -0.427 79.9 -64.0 126.5 159.9 -26.6 1.6 -24.8 31 462 A Y H > S+ 0 0 2 -20,-2.4 4,-2.4 1,-0.2 -19,-0.2 0.831 131.8 46.0 -41.9 -46.9 -25.3 0.3 -21.5 32 463 A C H > S+ 0 0 0 -20,-1.8 4,-3.4 2,-0.2 -1,-0.2 0.869 110.3 54.1 -73.0 -34.8 -23.6 3.6 -20.6 33 464 A I H > S+ 0 0 4 -21,-1.1 4,-2.5 -3,-0.4 -2,-0.2 0.921 109.7 47.5 -59.3 -45.9 -26.7 5.5 -21.7 34 465 A D H X S+ 0 0 16 -4,-2.5 4,-2.3 -22,-0.2 -2,-0.2 0.955 114.5 47.3 -58.4 -50.0 -28.7 3.4 -19.3 35 466 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.918 108.7 53.1 -59.7 -47.0 -26.1 4.0 -16.6 36 467 A L H X S+ 0 0 3 -4,-3.4 4,-3.2 1,-0.2 -1,-0.2 0.959 110.0 50.6 -53.1 -47.8 -26.0 7.7 -17.2 37 468 A R H X S+ 0 0 47 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.907 109.1 49.4 -56.6 -46.8 -29.8 7.7 -16.8 38 469 A E H X S+ 0 0 13 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.908 114.2 44.9 -62.2 -43.7 -29.7 5.8 -13.5 39 470 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.927 107.9 59.7 -63.7 -45.6 -27.0 8.2 -12.1 40 471 A S H X>S+ 0 0 22 -4,-3.2 5,-1.7 -5,-0.3 4,-0.7 0.909 111.2 41.1 -44.9 -50.8 -29.1 11.1 -13.4 41 472 A T H ><5S+ 0 0 35 -4,-2.3 3,-1.1 3,-0.2 -2,-0.2 0.988 114.5 48.6 -61.7 -63.0 -32.0 9.9 -11.2 42 473 A I H 3<5S+ 0 0 6 -4,-2.5 605,-4.5 1,-0.3 -2,-0.2 0.756 122.5 32.5 -53.4 -33.7 -30.1 9.0 -8.0 43 474 A L H 3<5S- 0 0 20 -4,-2.5 -1,-0.3 603,-0.2 -2,-0.2 0.430 105.7-125.3-107.4 -2.9 -28.1 12.3 -7.9 44 475 A G T <<5 + 0 0 52 -3,-1.1 2,-0.3 -4,-0.7 -3,-0.2 0.977 55.5 140.9 56.1 66.6 -30.7 14.5 -9.4 45 476 A F < - 0 0 17 -5,-1.7 2,-0.3 -6,-0.1 -1,-0.2 -0.972 44.5-137.9-130.8 153.7 -28.9 16.1 -12.3 46 477 A T - 0 0 93 -2,-0.3 -44,-2.4 2,-0.0 2,-0.3 -0.770 30.0-169.2-100.5 156.1 -29.9 17.1 -15.8 47 478 A Y E -a 2 0A 41 -2,-0.3 2,-0.5 -46,-0.2 -44,-0.2 -1.000 24.7-146.0-152.1 145.8 -27.4 16.4 -18.6 48 479 A E E -a 3 0A 85 -46,-2.4 -44,-2.4 -2,-0.3 2,-0.5 -0.968 24.8-139.3-113.0 122.1 -26.5 17.1 -22.2 49 480 A I E +a 4 0A 2 -2,-0.5 2,-0.4 -46,-0.2 -44,-0.2 -0.670 23.1 178.9 -83.8 126.2 -24.7 14.3 -24.1 50 481 A R E -a 5 0A 115 -46,-3.0 -44,-1.4 -2,-0.5 2,-0.4 -0.996 27.0-128.7-126.4 132.3 -21.9 15.3 -26.4 51 482 A L E -a 6 0A 57 -2,-0.4 -44,-0.2 -46,-0.2 -46,-0.1 -0.629 38.7-104.0 -72.6 127.3 -19.8 12.9 -28.5 52 483 A V - 0 0 9 -46,-3.4 3,-0.2 -2,-0.4 -1,-0.1 -0.305 32.4-139.4 -51.9 130.7 -16.1 13.7 -28.0 53 484 A E S S+ 0 0 186 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.877 94.7 46.8 -74.4 -42.9 -15.0 15.5 -31.1 54 485 A D S S- 0 0 86 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.702 104.8-128.2 -74.5 -15.4 -11.6 14.1 -32.0 55 486 A G + 0 0 42 1,-0.3 2,-0.3 -3,-0.2 -2,-0.1 0.739 64.5 122.3 81.7 24.6 -13.1 10.7 -31.4 56 487 A K - 0 0 87 1,-0.1 14,-1.9 3,-0.0 -1,-0.3 -0.853 59.1-139.7-123.3 153.5 -10.4 9.4 -28.9 57 488 A Y - 0 0 12 -2,-0.3 14,-2.0 12,-0.3 13,-0.2 0.988 67.0 -63.8 -74.1 -62.3 -10.5 8.1 -25.4 58 489 A G + 0 0 4 78,-0.5 2,-0.3 12,-0.2 11,-0.2 -0.367 58.3 160.6 167.1 111.4 -7.4 9.8 -23.9 59 490 A A - 0 0 10 -2,-0.1 9,-1.4 9,-0.1 2,-0.4 -0.979 29.5-128.7-141.2 154.9 -3.7 9.6 -24.5 60 491 A Q B -G 67 0D 95 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.870 20.6-128.0-107.6 129.3 -0.7 11.7 -23.8 61 492 A D > - 0 0 77 5,-2.5 4,-1.5 -2,-0.4 5,-0.2 -0.659 15.4-143.9 -78.9 120.5 1.9 12.8 -26.4 62 493 A D T 4 S+ 0 0 116 -2,-0.5 -1,-0.2 2,-0.1 -2,-0.0 0.911 91.5 43.5 -49.8 -54.4 5.4 11.9 -25.2 63 494 A V T 4 S+ 0 0 131 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.977 129.2 18.3 -58.9 -72.2 7.1 15.0 -26.7 64 495 A N T 4 S- 0 0 99 2,-0.1 -2,-0.1 1,-0.0 -1,-0.1 0.862 95.3-130.2 -71.0 -40.7 4.8 18.0 -25.9 65 496 A G < + 0 0 30 -4,-1.5 2,-0.2 1,-0.3 -3,-0.1 0.651 51.1 150.9 98.7 18.4 2.8 16.3 -23.2 66 497 A Q - 0 0 96 -5,-0.2 -5,-2.5 -6,-0.0 2,-0.3 -0.526 36.3-137.9 -85.6 147.7 -0.6 17.2 -24.4 67 498 A W B -G 60 0D 21 -7,-0.2 2,-0.2 -2,-0.2 -7,-0.2 -0.738 18.1-165.4-101.3 154.2 -3.7 15.0 -23.8 68 499 A N > + 0 0 35 -9,-1.4 4,-1.5 -2,-0.3 3,-0.4 -0.711 42.2 18.3-125.9 179.4 -6.4 14.2 -26.3 69 500 A G H > S- 0 0 1 -2,-0.2 4,-2.0 1,-0.2 3,-0.3 -0.045 115.3 -19.4 63.0-156.9 -9.9 12.8 -26.4 70 501 A M H > S+ 0 0 0 -14,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.864 135.7 56.5 -56.5 -39.9 -12.4 12.6 -23.5 71 502 A V H > S+ 0 0 0 -14,-2.0 4,-2.3 -3,-0.4 -1,-0.2 0.928 106.3 50.2 -60.3 -43.9 -9.6 12.9 -21.0 72 503 A R H X S+ 0 0 76 -4,-1.5 4,-2.6 -3,-0.3 6,-0.2 0.964 107.8 53.3 -56.0 -53.1 -8.5 16.2 -22.5 73 504 A E H <>S+ 0 0 39 -4,-2.0 5,-2.4 1,-0.2 6,-1.0 0.824 110.0 49.0 -49.5 -39.4 -12.1 17.5 -22.4 74 505 A L H ><5S+ 0 0 0 -4,-1.9 3,-1.3 3,-0.2 -1,-0.2 0.911 109.4 51.0 -68.0 -45.6 -12.2 16.7 -18.7 75 506 A I H 3<5S+ 0 0 56 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.891 111.1 48.6 -57.1 -43.0 -8.9 18.4 -18.0 76 507 A D T 3<5S- 0 0 65 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.411 110.4-121.5 -80.5 2.0 -10.1 21.5 -19.8 77 508 A H T < 5S+ 0 0 136 -3,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.777 76.3 130.4 58.5 26.9 -13.4 21.5 -17.9 78 509 A K S - 0 0 11 -2,-1.1 4,-2.3 122,-0.1 3,-0.4 -0.827 45.5-122.2-117.4 153.1 -5.4 3.5 -15.8 90 521 A Y H > S+ 0 0 47 -2,-0.3 4,-0.7 1,-0.2 392,-0.1 0.838 111.1 58.0 -75.0 -26.6 -2.7 5.0 -13.5 91 522 A V H 4 S+ 0 0 22 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.842 111.9 44.8 -64.7 -29.6 -1.4 7.4 -16.2 92 523 A R H >> S+ 0 0 3 -3,-0.4 3,-2.6 1,-0.2 4,-2.4 0.880 102.1 62.2 -82.8 -41.0 -4.9 8.7 -16.4 93 524 A E H 3< S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.718 94.6 67.4 -57.1 -17.1 -5.5 8.9 -12.7 94 525 A K T 3< S+ 0 0 101 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.625 114.6 24.3 -79.4 -9.5 -2.7 11.4 -12.7 95 526 A V T <4 S+ 0 0 31 -3,-2.6 124,-0.6 1,-0.2 2,-0.3 0.641 127.2 24.1-126.0 -28.9 -4.7 14.0 -14.6 96 527 A I E < S-D 218 0A 0 -4,-2.4 2,-0.3 122,-0.2 -1,-0.2 -0.799 73.5-114.5-126.8 173.5 -8.4 13.2 -14.0 97 528 A D E -D 217 0A 6 120,-3.0 120,-2.0 -2,-0.3 2,-0.4 -0.710 25.4-156.4-101.5 163.6 -10.5 11.5 -11.3 98 529 A F E -D 216 0A 0 -2,-0.3 118,-0.2 118,-0.2 130,-0.0 -1.000 16.5-123.5-137.7 139.4 -12.5 8.3 -11.7 99 530 A S - 0 0 0 116,-1.9 3,-0.1 -2,-0.4 126,-0.1 -0.359 54.3 -81.6 -61.3 158.5 -15.5 6.8 -9.9 100 531 A K S S- 0 0 5 124,-0.3 115,-0.4 1,-0.1 -1,-0.1 -0.256 72.4 -73.9 -54.6 159.0 -14.9 3.4 -8.6 101 532 A P - 0 0 17 0, 0.0 113,-0.3 0, 0.0 -1,-0.1 -0.322 34.2-168.0 -69.5 139.7 -15.4 0.9 -11.4 102 533 A F S S+ 0 0 7 111,-2.0 2,-0.3 1,-0.3 112,-0.1 0.498 85.1 25.6 -93.7 -9.0 -18.8 0.0 -12.7 103 534 A M E -I 213 0E 12 110,-1.0 110,-2.1 2,-0.0 2,-0.5 -0.981 69.3-149.7-148.9 136.1 -17.2 -2.9 -14.6 104 535 A T E +I 212 0E 65 -2,-0.3 108,-0.2 108,-0.2 2,-0.2 -0.953 34.3 142.5-107.0 131.5 -14.1 -4.9 -14.1 105 536 A L - 0 0 3 106,-2.4 2,-0.3 -2,-0.5 106,-0.1 -0.425 28.8-144.6-135.6-150.7 -12.3 -6.4 -17.1 106 537 A G - 0 0 0 104,-0.2 82,-2.7 -2,-0.2 2,-0.2 -0.900 30.5 -85.9 179.1 153.7 -8.8 -7.1 -18.5 107 538 A I E +J 187 0F 0 -2,-0.3 101,-4.3 80,-0.2 102,-0.5 -0.478 56.5 151.5 -68.8 141.9 -6.8 -7.1 -21.6 108 539 A S E -J 186 0F 0 78,-2.5 78,-1.3 99,-0.2 2,-0.4 -0.874 39.8 -83.0-156.0-169.6 -6.9 -10.3 -23.6 109 540 A I E -JK 185 204F 3 95,-1.0 95,-2.1 97,-0.3 2,-0.6 -0.886 19.0-159.4-117.1 135.6 -6.7 -11.8 -27.1 110 541 A L E +JK 184 203F 0 74,-3.3 74,-3.0 -2,-0.4 2,-0.3 -0.948 34.7 140.5-109.0 116.5 -9.2 -12.0 -29.9 111 542 A Y E - K 0 202F 1 91,-2.2 91,-2.8 -2,-0.6 72,-0.1 -0.904 52.9 -89.6-144.3 168.0 -8.3 -14.7 -32.5 112 543 A R E > - K 0 201F 80 -2,-0.3 3,-0.5 89,-0.3 89,-0.3 -0.420 54.7 -90.4 -79.8 167.3 -10.1 -17.3 -34.5 113 544 A K T 3 S+ 0 0 129 87,-2.0 -1,-0.1 1,-0.2 91,-0.0 -0.303 94.4 30.0 -80.0 155.3 -10.7 -20.8 -33.1 114 555 A G T 3 S+ 0 0 88 1,-0.3 -1,-0.2 3,-0.1 -2,-0.0 0.629 76.4 132.9 79.3 16.1 -8.5 -24.0 -33.4 115 566 A T < - 0 0 34 -3,-0.5 -1,-0.3 2,-0.2 -4,-0.0 -0.586 67.6-118.0 -89.3 161.8 -5.0 -22.5 -33.6 116 667 A P S S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.668 83.3 112.1 -69.5 -18.4 -2.1 -23.8 -31.6 117 668 A I + 0 0 18 1,-0.1 -2,-0.2 5,-0.1 88,-0.2 -0.351 31.4 157.5 -59.6 132.6 -1.9 -20.3 -30.0 118 669 A D + 0 0 116 1,-0.3 2,-0.3 86,-0.1 -1,-0.1 0.326 56.2 13.2-142.8 2.5 -2.9 -20.4 -26.4 119 670 A S S > S- 0 0 38 86,-0.1 4,-0.9 1,-0.1 -1,-0.3 -0.982 80.0 -91.6-171.0 167.4 -1.4 -17.4 -24.7 120 671 A A H >> S+ 0 0 12 -2,-0.3 4,-2.2 1,-0.2 3,-0.6 0.871 121.9 57.7 -57.9 -39.2 0.3 -14.0 -25.1 121 672 A D H 3> S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.934 98.8 56.7 -58.6 -48.9 3.6 -15.7 -25.0 122 673 A D H 34 S+ 0 0 39 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.776 111.5 46.2 -54.0 -28.7 2.8 -18.0 -28.0 123 674 A L H X< S+ 0 0 0 -4,-0.9 3,-1.1 -3,-0.6 -1,-0.2 0.890 109.9 52.1 -77.9 -45.9 2.1 -14.8 -29.9 124 675 A A H 3< S+ 0 0 4 -4,-2.2 2,-0.5 1,-0.3 -2,-0.2 0.952 101.9 58.3 -56.2 -55.0 5.3 -13.0 -28.8 125 676 A K T 3< S+ 0 0 129 -4,-2.3 2,-0.3 -5,-0.1 -1,-0.3 0.140 108.1 47.8 -73.8 22.4 7.8 -15.7 -29.7 126 677 A Q < - 0 0 45 -3,-1.1 -3,-0.0 -2,-0.5 0, 0.0 -0.891 56.5-157.0-149.2 179.1 6.8 -15.8 -33.4 127 678 A T S S+ 0 0 87 -2,-0.3 -1,-0.1 3,-0.1 4,-0.1 0.533 73.1 83.7-139.1 -20.4 6.1 -13.5 -36.3 128 679 A K S S+ 0 0 168 1,-0.1 2,-0.6 2,-0.1 53,-0.1 0.984 90.9 55.2 -50.7 -66.1 3.9 -15.2 -38.9 129 680 A I S S- 0 0 13 53,-0.1 53,-0.2 -6,-0.1 -3,-0.1 -0.606 86.1-149.6 -71.7 117.4 0.7 -14.2 -37.0 130 681 A E E -l 182 0F 51 51,-2.0 53,-2.2 -2,-0.6 2,-0.3 -0.339 14.0-168.4 -81.3 167.7 0.6 -10.5 -36.6 131 682 A Y E +l 183 0F 0 51,-0.2 2,-0.3 23,-0.1 53,-0.2 -0.992 12.9 151.3-157.5 155.7 -1.0 -8.7 -33.6 132 683 A G E -l 184 0F 0 51,-1.2 53,-2.9 -2,-0.3 2,-0.3 -0.931 22.2-136.9-167.5-173.3 -2.0 -5.2 -32.5 133 684 A A E -l 185 0F 0 -2,-0.3 34,-1.6 51,-0.2 2,-0.4 -0.891 48.4 -61.7-151.3 173.4 -4.3 -3.0 -30.5 134 685 A V B > -m 167 0G 7 51,-0.5 3,-1.8 -2,-0.3 6,-0.6 -0.596 62.3-115.0 -69.7 123.8 -6.3 0.2 -30.7 135 686 A E T 3 S+ 0 0 65 32,-3.2 3,-0.1 -2,-0.4 -1,-0.1 -0.367 98.9 10.7 -62.5 129.2 -3.7 3.0 -31.3 136 687 A D T 3 S+ 0 0 49 1,-0.2 -78,-0.5 -2,-0.1 -1,-0.3 0.682 102.9 138.0 71.3 17.7 -3.5 5.4 -28.3 137 688 A G S <> S- 0 0 2 -3,-1.8 4,-1.9 1,-0.1 -1,-0.2 -0.282 71.5-113.1 -82.9 174.1 -5.7 3.0 -26.4 138 689 A A H > S+ 0 0 4 2,-0.2 4,-1.8 3,-0.1 -1,-0.1 0.889 120.2 53.2 -70.3 -40.6 -5.3 2.0 -22.8 139 690 A T H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.928 109.7 45.5 -61.2 -49.9 -4.5 -1.5 -24.1 140 691 A M H >> S+ 0 0 2 -6,-0.6 4,-2.3 1,-0.2 3,-1.0 0.980 111.2 53.9 -56.8 -55.4 -1.7 -0.2 -26.4 141 692 A T H 3X S+ 0 0 26 -4,-1.9 4,-2.6 1,-0.3 -1,-0.2 0.831 100.2 61.9 -46.6 -37.5 -0.4 2.0 -23.6 142 693 A F H 3< S+ 0 0 7 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.939 108.8 41.3 -57.7 -44.9 -0.2 -1.0 -21.3 143 694 A F H X< S+ 0 0 0 -4,-1.3 3,-1.3 -3,-1.0 -2,-0.2 0.906 112.5 53.6 -70.6 -42.7 2.3 -2.7 -23.6 144 695 A K H 3< S+ 0 0 56 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.889 115.8 40.3 -57.2 -40.2 4.2 0.5 -24.3 145 696 A K T 3< S+ 0 0 80 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.3 0.379 94.1 112.2 -88.5 3.6 4.7 1.1 -20.5 146 697 A S < - 0 0 11 -3,-1.3 9,-0.1 -4,-0.2 340,-0.1 -0.661 40.9-177.0 -93.5 132.4 5.3 -2.6 -19.7 147 698 A K + 0 0 185 -2,-0.4 2,-0.4 4,-0.0 -1,-0.1 -0.122 48.2 122.9-107.1 29.6 8.7 -3.9 -18.4 148 699 A I > - 0 0 61 1,-0.1 4,-2.8 -5,-0.1 5,-0.3 -0.805 69.8-124.5 -86.5 133.0 7.4 -7.5 -18.4 149 700 A S H > S+ 0 0 106 -2,-0.4 4,-1.8 1,-0.2 3,-0.2 0.904 105.8 41.2 -38.4 -68.2 9.6 -9.8 -20.6 150 701 A T H > S+ 0 0 37 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.861 118.2 44.9 -53.1 -46.4 6.8 -11.1 -22.8 151 702 A Y H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.812 106.9 58.4 -75.9 -30.9 4.9 -7.8 -23.3 152 703 A D H X S+ 0 0 87 -4,-2.8 4,-3.0 -3,-0.2 -1,-0.2 0.915 108.7 46.9 -60.8 -44.6 8.0 -5.7 -23.9 153 704 A K H X S+ 0 0 111 -4,-1.8 4,-2.5 -5,-0.3 -2,-0.2 0.914 112.0 50.3 -60.8 -44.5 8.8 -8.0 -26.9 154 705 A M H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.839 112.0 48.1 -65.7 -34.3 5.2 -7.8 -28.1 155 706 A W H X S+ 0 0 31 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.955 108.7 52.8 -66.3 -50.8 5.4 -4.0 -27.8 156 707 A A H X S+ 0 0 51 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.889 109.9 51.6 -48.7 -43.8 8.7 -4.0 -29.7 157 708 A F H < S+ 0 0 15 -4,-2.5 4,-0.5 1,-0.2 3,-0.3 0.944 114.9 39.6 -58.0 -52.7 6.9 -6.0 -32.4 158 709 A M H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 4,-0.3 0.911 109.7 55.6 -69.2 -46.0 4.0 -3.6 -32.7 159 710 A S H 3< S+ 0 0 41 -4,-3.2 3,-0.3 1,-0.3 -1,-0.2 0.741 107.0 54.6 -63.2 -19.5 5.8 -0.3 -32.4 160 711 A S T 3< S+ 0 0 83 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.627 121.5 27.6 -87.4 -16.3 8.0 -1.4 -35.3 161 712 A R S X> S+ 0 0 85 -3,-1.6 3,-2.7 -4,-0.5 4,-1.4 0.072 74.6 132.8-129.8 25.5 5.0 -2.1 -37.5 162 713 A R H 3> + 0 0 80 -4,-0.3 4,-1.4 1,-0.3 3,-0.1 0.847 65.3 70.9 -49.6 -34.0 2.4 0.3 -36.1 163 714 A Q H 34 S+ 0 0 185 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.788 117.6 17.9 -48.7 -29.3 1.6 1.4 -39.7 164 715 A S H <4 S+ 0 0 57 -3,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 0.504 128.9 40.9-128.5 -12.2 -0.1 -2.0 -40.3 165 716 A V H < S+ 0 0 0 -4,-1.4 2,-0.6 -7,-0.2 -3,-0.2 0.556 93.7 81.9-119.5 -16.2 -0.9 -3.7 -37.0 166 717 A L < - 0 0 10 -4,-1.4 -32,-0.2 -5,-0.4 2,-0.2 -0.839 67.9-161.2 -93.3 121.4 -2.1 -0.8 -34.9 167 718 A V B -m 134 0G 3 -34,-1.6 -32,-3.2 -2,-0.6 3,-0.1 -0.507 23.0-133.5-102.0 168.6 -5.8 -0.1 -35.7 168 719 A K S S+ 0 0 151 -34,-0.2 2,-0.3 1,-0.2 -34,-0.1 0.444 83.4 19.2-102.9 -1.7 -8.0 3.0 -35.1 169 720 A S S > S- 0 0 44 1,-0.1 4,-1.9 -36,-0.1 5,-0.2 -0.984 73.5-112.4-162.7 152.9 -11.1 1.3 -33.6 170 721 A N H > S+ 0 0 2 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.825 119.0 54.8 -55.0 -31.4 -12.3 -1.9 -32.0 171 722 A E H > S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.964 107.0 46.7 -68.3 -50.8 -14.3 -2.6 -35.2 172 723 A E H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.811 110.0 55.8 -60.4 -31.3 -11.3 -2.3 -37.5 173 724 A G H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.857 108.0 47.5 -70.6 -36.0 -9.3 -4.5 -35.2 174 725 A I H X S+ 0 0 9 -4,-1.4 4,-1.9 -3,-0.4 -2,-0.2 0.885 108.6 54.6 -71.9 -40.8 -12.0 -7.2 -35.5 175 726 A Q H X S+ 0 0 82 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.884 105.8 53.2 -58.2 -41.2 -12.1 -6.9 -39.3 176 727 A R H >X S+ 0 0 62 -4,-1.9 3,-1.0 1,-0.2 4,-0.5 0.923 107.9 50.3 -58.9 -45.7 -8.3 -7.5 -39.4 177 728 A V H 3< S+ 0 0 4 -4,-1.5 3,-0.5 1,-0.3 5,-0.4 0.872 113.7 46.4 -60.0 -37.0 -8.7 -10.7 -37.4 178 729 A L H 3< S+ 0 0 55 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.494 119.1 38.0 -85.8 -6.8 -11.4 -11.8 -39.8 179 730 A T H << S+ 0 0 106 -3,-1.0 2,-0.3 -4,-0.7 -1,-0.2 0.165 120.1 17.6-133.7 19.0 -9.6 -11.0 -43.0 180 731 A S S < S- 0 0 47 -4,-0.5 2,-2.0 -3,-0.5 -1,-0.1 -0.974 94.6 -72.5-172.8 173.2 -6.0 -11.9 -42.3 181 732 A D S S+ 0 0 54 -2,-0.3 -51,-2.0 -53,-0.1 2,-0.4 -0.557 83.0 132.8 -80.6 80.9 -3.6 -13.8 -40.1 182 733 A Y E - l 0 130F 0 -2,-2.0 2,-0.4 -5,-0.4 -70,-0.2 -0.988 45.3-157.8-141.6 137.9 -4.1 -11.4 -37.2 183 734 A A E - l 0 131F 0 -53,-2.2 -51,-1.2 -2,-0.4 2,-0.4 -0.965 21.5-141.9-116.6 135.6 -4.7 -11.6 -33.4 184 735 A F E -Jl 110 132F 0 -74,-3.0 -74,-3.3 -2,-0.4 2,-0.9 -0.792 5.2-145.5-107.6 137.1 -6.2 -8.6 -31.7 185 736 A L E +Jl 109 133F 0 -53,-2.9 -51,-0.5 -2,-0.4 2,-0.2 -0.853 44.4 141.1 -97.2 102.0 -5.5 -7.2 -28.2 186 737 A M E -J 108 0F 0 -78,-1.3 -78,-2.5 -2,-0.9 2,-0.2 -0.768 55.3 -71.6-131.5 178.2 -8.7 -5.8 -26.8 187 738 A E E > -J 107 0F 0 -2,-0.2 4,-2.5 -80,-0.2 -80,-0.2 -0.497 39.3-125.3 -77.5 145.1 -10.6 -5.6 -23.6 188 739 A S H > S+ 0 0 10 -82,-2.7 4,-3.3 1,-0.2 5,-0.2 0.878 108.1 52.9 -60.9 -45.5 -12.2 -8.8 -22.3 189 740 A T H > S+ 0 0 2 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.914 111.3 46.3 -54.6 -48.0 -15.7 -7.4 -22.0 190 741 A T H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.895 112.5 50.9 -66.1 -36.5 -15.7 -6.2 -25.6 191 742 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.954 106.4 55.5 -58.7 -51.0 -14.3 -9.6 -26.7 192 743 A E H < S+ 0 0 85 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.757 110.5 46.0 -51.3 -30.9 -17.1 -11.3 -24.7 193 744 A F H >X S+ 0 0 14 -4,-1.2 3,-1.1 -3,-0.2 4,-1.0 0.906 113.3 47.4 -78.5 -44.5 -19.5 -9.2 -26.8 194 745 A V H 3X S+ 0 0 11 -4,-2.2 4,-1.6 1,-0.3 -2,-0.2 0.828 98.5 68.0 -69.4 -34.3 -17.9 -9.9 -30.2 195 746 A T H 3< S+ 0 0 47 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.1 0.405 101.2 50.8 -73.9 5.9 -17.6 -13.7 -29.7 196 747 A Q H <4 S+ 0 0 93 -3,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.764 110.8 43.7-101.9 -46.3 -21.3 -13.9 -29.9 197 748 A R H < S+ 0 0 132 -4,-1.0 2,-0.4 1,-0.2 -2,-0.2 0.650 120.5 46.0 -72.0 -16.1 -21.9 -11.9 -33.1 198 749 A N >< - 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0 0 8 -4,-1.4 -32,-0.2 -5,-0.4 2,-0.2 -0.863 68.4-160.7 -94.8 121.3 -40.2 15.3 13.6 665 718 C V B -m 632 0U 3 -34,-1.4 -32,-3.1 -2,-0.6 3,-0.1 -0.493 23.0-132.2-101.5 168.2 -43.8 15.8 14.9 666 719 C K S S+ 0 0 154 -34,-0.2 2,-0.3 1,-0.2 -34,-0.1 0.459 83.8 17.8-101.9 -1.6 -46.3 13.4 16.4 667 720 C S S > S- 0 0 43 1,-0.1 4,-1.9 -36,-0.1 5,-0.2 -0.982 73.3-111.7-164.0 154.6 -49.4 14.3 14.3 668 721 C N H > S+ 0 0 1 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.829 119.0 55.3 -57.5 -31.2 -50.4 16.0 11.1 669 722 C E H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.964 107.2 46.2 -68.0 -50.6 -52.0 18.6 13.3 670 723 C E H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.815 110.2 56.1 -59.1 -32.1 -48.8 19.4 15.2 671 724 C G H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.858 108.2 46.9 -71.6 -35.9 -46.9 19.5 11.9 672 725 C I H X S+ 0 0 8 -4,-1.5 4,-1.8 -3,-0.3 -2,-0.2 0.891 108.8 54.4 -71.8 -41.5 -49.3 22.2 10.5 673 726 C Q H X S+ 0 0 94 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.917 106.0 53.6 -58.2 -43.5 -49.0 24.2 13.7 674 727 C R H >< S+ 0 0 62 -4,-2.1 3,-1.0 1,-0.2 4,-0.5 0.923 107.8 50.4 -54.8 -47.3 -45.2 24.2 13.3 675 728 C V H 3< S+ 0 0 0 -4,-1.5 3,-0.4 1,-0.2 5,-0.4 0.856 113.7 45.8 -59.0 -35.3 -45.6 25.6 9.8 676 729 C L H 3< S+ 0 0 54 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.499 119.1 39.0 -90.1 -5.3 -47.9 28.3 11.1 677 730 C T S << S+ 0 0 88 -3,-1.0 2,-0.3 -4,-0.8 -1,-0.2 0.145 120.1 15.9-132.7 20.9 -45.8 29.3 14.1 678 731 C S S S- 0 0 47 -4,-0.5 2,-1.9 -3,-0.4 -1,-0.1 -0.967 94.9 -71.5-174.5 174.0 -42.2 29.1 12.9 679 732 C D S S+ 0 0 61 -2,-0.3 -51,-2.0 -53,-0.1 2,-0.3 -0.547 82.9 132.4 -81.9 81.1 -39.9 28.9 9.8 680 733 C Y E - 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