==== 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 STRUCTURAL PROTEIN 02-DEC-08 2W4S . COMPND 2 MOLECULE: ANKYRIN-REPEAT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM; . AUTHOR A.VARROT,C.MACKERETH,A.MOURAO,M.SATTLER,S.CUSACK . 343 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19588.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 0 0 0 1 3 0 1 0 0 2 6 0 1 0 0 0 0 0 0 0 0 0 0 3 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 387 A D > 0 0 142 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -26.3 -2.6 21.7 56.6 2 388 A T H > + 0 0 97 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.965 360.0 41.7 -55.9 -51.7 -1.8 20.8 53.0 3 389 A M H > S+ 0 0 26 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.874 111.4 55.8 -62.8 -41.3 -0.9 24.5 52.4 4 390 A E H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.922 111.8 44.0 -54.1 -45.1 0.9 24.6 55.8 5 391 A S H X S+ 0 0 52 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.859 112.4 50.2 -70.2 -41.2 3.1 21.7 54.7 6 392 A I H X S+ 0 0 22 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.960 115.2 44.9 -59.5 -52.3 3.7 23.1 51.1 7 393 A V H X S+ 0 0 0 -4,-2.8 4,-3.4 2,-0.2 5,-0.3 0.901 111.0 54.9 -56.4 -46.5 4.7 26.5 52.7 8 394 A L H X S+ 0 0 25 -4,-2.5 4,-3.1 -5,-0.3 -2,-0.2 0.945 112.1 41.3 -53.6 -60.2 6.8 24.7 55.3 9 395 A N H X S+ 0 0 45 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.832 114.0 54.6 -54.9 -39.6 8.8 22.8 52.7 10 396 A T H X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.2 -2,-0.2 0.973 113.1 40.8 -63.4 -52.3 9.0 25.9 50.5 11 397 A I H X S+ 0 0 0 -4,-3.4 4,-2.9 2,-0.2 5,-0.4 0.948 115.0 52.1 -61.5 -46.1 10.5 28.1 53.3 12 398 A V H X S+ 0 0 39 -4,-3.1 4,-2.2 -5,-0.3 -2,-0.2 0.948 115.6 40.1 -56.5 -52.0 12.8 25.2 54.5 13 399 A T H < S+ 0 0 27 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.910 114.4 54.5 -60.5 -45.5 14.2 24.7 51.0 14 400 A G H < S+ 0 0 13 -4,-3.2 -2,-0.2 -5,-0.3 -1,-0.2 0.889 119.9 31.4 -56.3 -40.6 14.3 28.5 50.3 15 401 A L H < 0 0 20 -4,-2.9 46,-0.5 -5,-0.2 -1,-0.2 0.677 360.0 360.0 -91.3 -21.8 16.4 29.1 53.5 16 402 A Q < 0 0 179 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.975 360.0 360.0 71.5 360.0 18.3 25.8 53.5 17 ! 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 18 406 A K > 0 0 137 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -41.9 12.0 21.8 59.7 19 407 A E H > + 0 0 137 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.852 360.0 53.0 -63.8 -36.3 10.8 22.1 63.4 20 408 A F H > S+ 0 0 54 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.958 114.3 40.9 -62.4 -49.5 11.9 25.7 63.7 21 409 A I H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.878 112.8 56.1 -68.7 -37.4 10.0 26.7 60.5 22 410 A A H X S+ 0 0 20 -4,-2.7 4,-3.2 2,-0.2 5,-0.2 0.946 107.3 48.9 -50.9 -52.0 7.1 24.5 61.7 23 411 A R H X S+ 0 0 52 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.876 110.0 51.9 -62.5 -35.4 7.0 26.5 65.0 24 412 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.935 112.0 46.0 -62.8 -46.5 7.0 29.8 63.0 25 413 A I H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.939 110.3 52.5 -64.3 -47.5 4.1 28.6 60.9 26 414 A K H < S+ 0 0 139 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.818 114.6 46.0 -52.4 -34.2 2.2 27.4 63.9 27 415 A T H < S+ 0 0 28 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.916 131.0 13.0 -81.4 -46.9 2.7 30.8 65.5 28 416 A I H X S- 0 0 10 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.301 104.4-114.4-115.4 9.5 1.9 33.3 62.6 29 417 A G H X - 0 0 31 -4,-2.6 4,-1.4 -5,-0.3 -1,-0.2 0.163 36.2 -78.3 73.1 163.7 0.1 31.0 60.0 30 418 A S H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.766 124.0 61.8 -73.4 -22.5 1.4 30.2 56.6 31 419 A Q H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.979 109.6 38.1 -64.9 -57.1 0.4 33.5 55.0 32 420 A R H X S+ 0 0 90 -4,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.748 114.3 57.6 -68.6 -26.7 2.6 35.7 57.3 33 421 A S H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.880 106.1 48.5 -67.5 -41.1 5.4 33.1 57.1 34 422 A L H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 -2,-0.2 0.917 111.8 50.0 -63.3 -42.7 5.5 33.3 53.3 35 423 A Q H X S+ 0 0 80 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.915 109.8 51.1 -59.5 -43.1 5.6 37.1 53.6 36 424 A L H X S+ 0 0 10 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.918 112.2 46.3 -60.1 -45.1 8.4 36.8 56.0 37 425 A Y H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.932 111.8 50.8 -64.8 -47.0 10.3 34.5 53.6 38 426 A E H X S+ 0 0 13 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.902 108.5 53.1 -53.6 -48.0 9.6 36.8 50.6 39 427 A N H X S+ 0 0 69 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.853 106.0 51.7 -57.7 -40.2 10.9 39.8 52.6 40 428 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.882 109.3 51.3 -66.2 -35.3 14.2 37.9 53.4 41 429 A M H X S+ 0 0 14 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.903 107.0 53.6 -64.9 -41.0 14.5 37.3 49.6 42 430 A K H X S+ 0 0 98 -4,-2.4 4,-1.6 2,-0.2 6,-0.2 0.919 108.8 49.7 -55.4 -44.6 14.0 41.0 48.9 43 431 A V H <>S+ 0 0 34 -4,-2.1 5,-3.0 2,-0.2 -1,-0.2 0.918 112.9 46.4 -61.0 -42.6 16.8 41.8 51.4 44 432 A E H ><5S+ 0 0 35 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.916 109.5 52.3 -70.8 -42.1 19.0 39.2 49.6 45 433 A N H 3<5S+ 0 0 73 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.777 106.4 57.7 -61.0 -26.7 18.2 40.5 46.1 46 434 A S T 3<5S- 0 0 107 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.192 136.7 -84.2 -85.4 12.4 19.1 44.0 47.4 47 435 A G T < 5 - 0 0 43 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.2 0.502 66.0-117.6 95.9 -0.5 22.6 42.8 48.4 48 436 A G < - 0 0 18 -5,-3.0 2,-0.4 -6,-0.2 -4,-0.1 -0.194 35.9 -61.6 79.6-159.8 21.8 41.3 51.7 49 437 A L - 0 0 54 9,-0.4 9,-3.6 10,-0.0 2,-0.1 -0.999 39.5-121.7-140.9 135.4 22.9 42.2 55.3 50 438 A L B -A 57 0A 94 -2,-0.4 7,-0.2 7,-0.3 -2,-0.0 -0.438 30.3-109.7 -72.5 147.2 26.3 42.2 57.0 51 439 A T > - 0 0 13 5,-2.4 3,-2.2 -2,-0.1 -1,-0.1 -0.267 40.4 -97.1 -65.2 160.4 27.1 40.1 60.1 52 440 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.777 128.3 47.0 -54.3 -28.0 27.6 42.0 63.4 53 441 A D T 3 S- 0 0 114 3,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.407 106.0-128.7 -96.1 1.7 31.4 41.9 62.8 54 442 A M S < S+ 0 0 140 -3,-2.2 -2,-0.1 2,-0.2 3,-0.1 0.704 74.8 120.2 61.1 23.5 31.1 43.0 59.1 55 443 A S S S- 0 0 81 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.756 79.2 -11.8 -87.2 -24.0 33.2 40.0 58.0 56 444 A R S S- 0 0 135 3,-0.0 -5,-2.4 -5,-0.0 2,-0.3 -0.926 79.9 -75.4-158.0 176.9 30.6 38.5 55.7 57 445 A R B -A 50 0A 110 -2,-0.3 -7,-0.3 -7,-0.2 2,-0.1 -0.694 48.7-112.2 -80.7 137.9 27.0 38.5 54.5 58 446 A K - 0 0 56 -9,-3.6 -9,-0.4 -2,-0.3 2,-0.1 -0.466 39.1-111.7 -53.8 141.4 24.4 36.9 56.8 59 447 A T > - 0 0 87 1,-0.1 4,-2.2 -2,-0.1 3,-0.2 -0.342 32.8-101.6 -63.8 161.3 23.1 33.8 55.1 60 448 A I H > S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.882 127.8 58.7 -56.3 -37.4 19.4 34.1 54.0 61 449 A G H > S+ 0 0 21 -46,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.930 105.9 48.2 -51.5 -48.9 18.6 32.0 57.1 62 450 A G H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.877 109.5 51.9 -62.6 -39.4 20.3 34.8 59.2 63 451 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.937 108.3 52.3 -60.5 -46.4 18.3 37.5 57.4 64 452 A F H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.859 108.6 50.2 -59.0 -39.7 15.1 35.6 58.2 65 453 A C H X S+ 0 0 50 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.903 110.7 48.1 -66.7 -44.4 15.9 35.4 61.9 66 454 A Y H X S+ 0 0 101 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.939 113.3 48.6 -58.6 -49.0 16.6 39.1 62.1 67 455 A L H X S+ 0 0 27 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.900 110.1 52.1 -57.3 -39.1 13.3 39.8 60.2 68 456 A L H X S+ 0 0 2 -4,-2.2 4,-0.9 1,-0.2 3,-0.3 0.882 107.8 51.3 -67.7 -36.9 11.5 37.4 62.7 69 457 A K H X S+ 0 0 82 -4,-2.2 4,-2.2 1,-0.2 3,-0.3 0.824 101.9 61.6 -67.8 -32.1 13.0 39.3 65.6 70 458 A Q H X S+ 0 0 78 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.826 97.1 59.1 -63.7 -30.7 11.6 42.5 63.9 71 459 A L H <>S+ 0 0 34 -4,-1.2 5,-3.1 -3,-0.3 6,-1.2 0.837 105.9 47.4 -65.4 -32.9 8.2 41.0 64.3 72 460 A V H ><5S+ 0 0 10 -4,-0.9 3,-1.8 -3,-0.3 -2,-0.2 0.911 109.1 54.0 -67.5 -44.6 8.9 40.9 68.1 73 461 A A H 3<5S+ 0 0 60 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.881 111.0 46.1 -55.2 -38.1 10.1 44.5 67.9 74 462 A E T 3<5S- 0 0 133 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.335 115.3-116.8 -88.1 6.2 6.7 45.4 66.3 75 463 A D T < 5S+ 0 0 143 -3,-1.8 -3,-0.2 2,-0.2 3,-0.1 0.778 79.6 127.0 61.2 29.9 4.7 43.4 68.8 76 464 A Q S - 0 0 79 -2,-0.4 4,-2.0 -3,-0.1 3,-0.4 -0.393 26.2-106.4 -85.6 164.5 4.9 38.0 71.8 79 467 A I H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.898 119.9 53.8 -60.5 -41.0 8.0 37.2 73.8 80 468 A Q H > S+ 0 0 139 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.865 108.7 50.0 -59.5 -37.0 6.6 33.8 74.9 81 469 A E H > S+ 0 0 58 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.872 108.3 52.6 -69.2 -36.4 6.0 32.9 71.2 82 470 A W H X S+ 0 0 10 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.872 111.6 46.4 -65.0 -37.7 9.6 33.9 70.3 83 471 A N H X S+ 0 0 23 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.842 111.0 52.3 -72.5 -35.4 10.8 31.6 73.0 84 472 A Y H < S+ 0 0 104 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.916 113.4 44.4 -64.9 -44.1 8.5 28.9 71.8 85 473 A I H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.841 116.8 45.6 -67.2 -37.3 9.9 29.3 68.3 86 474 A R H < 0 0 100 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.675 360.0 360.0 -90.2 -17.1 13.5 29.5 69.4 87 475 A Q < 0 0 148 -4,-1.6 -4,-0.0 -3,-0.1 -3,-0.0 -0.330 360.0 360.0-146.4 360.0 13.9 26.6 71.9 88 !* 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 89 388 B T > 0 0 118 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -33.0 -4.9 36.9 49.4 90 389 B M H > + 0 0 30 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.878 360.0 53.6 -65.6 -36.6 -2.9 33.7 49.9 91 390 B E H > S+ 0 0 102 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.943 108.3 48.8 -55.8 -48.9 -2.9 33.8 46.0 92 391 B S H > S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.844 111.7 47.8 -65.2 -31.6 -1.5 37.3 46.3 93 392 B I H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.916 112.8 49.0 -74.4 -41.1 1.2 36.2 48.8 94 393 B V H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.944 109.1 54.1 -57.7 -49.9 2.2 33.2 46.6 95 394 B L H X S+ 0 0 35 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.936 111.6 44.2 -47.3 -56.4 2.3 35.5 43.5 96 395 B N H X S+ 0 0 53 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.870 113.4 49.0 -57.8 -48.0 4.8 37.9 45.3 97 396 B T H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.914 114.1 45.8 -59.9 -48.8 7.0 35.2 46.8 98 397 B I H X S+ 0 0 0 -4,-2.8 4,-3.4 2,-0.2 5,-0.3 0.947 114.4 47.9 -62.2 -48.7 7.3 33.4 43.5 99 398 B V H X S+ 0 0 27 -4,-2.8 4,-1.4 -5,-0.3 -2,-0.2 0.959 116.0 44.0 -57.0 -54.6 8.0 36.6 41.5 100 399 B T H < S+ 0 0 21 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.922 116.1 49.0 -50.9 -49.1 10.6 37.7 44.0 101 400 B G H < S+ 0 0 11 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.875 114.5 42.1 -66.1 -41.5 12.1 34.2 44.1 102 401 B L H < 0 0 22 -4,-3.4 46,-0.3 -5,-0.1 -1,-0.2 0.677 360.0 360.0 -74.3 -15.7 12.3 33.8 40.3 103 402 B Q < 0 0 169 -4,-1.4 -3,-0.2 -5,-0.3 -4,-0.1 0.986 360.0 360.0 63.5 360.0 13.6 37.4 40.2 104 ! 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 0.0 105 406 B K > 0 0 143 0, 0.0 4,-2.2 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -36.3 4.0 39.6 37.8 106 407 B E H > + 0 0 124 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.783 360.0 55.8 -55.5 -38.4 1.3 38.9 35.2 107 408 B F H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.957 112.0 43.0 -57.7 -50.9 3.0 35.7 33.8 108 409 B I H > S+ 0 0 13 -3,-0.5 4,-2.8 1,-0.2 -2,-0.2 0.874 108.8 59.2 -66.3 -32.4 3.1 34.2 37.3 109 410 B A H X S+ 0 0 8 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.874 105.1 49.7 -61.5 -38.5 -0.5 35.3 38.0 110 411 B R H X S+ 0 0 39 -4,-1.9 4,-1.9 -3,-0.2 -1,-0.2 0.945 110.1 49.9 -64.4 -49.4 -1.8 33.3 35.0 111 412 B V H >X S+ 0 0 1 -4,-1.9 4,-2.9 1,-0.2 3,-0.6 0.950 112.5 48.4 -50.8 -51.5 0.1 30.2 36.2 112 413 B I H 3X S+ 0 0 4 -4,-2.8 4,-2.4 1,-0.3 -2,-0.2 0.916 112.0 48.4 -57.3 -44.0 -1.4 30.8 39.6 113 414 B K H 3< S+ 0 0 132 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.730 115.8 45.5 -68.9 -22.8 -4.9 31.2 38.1 114 415 B T H << S+ 0 0 28 -4,-1.9 -2,-0.2 -3,-0.6 -1,-0.2 0.863 131.1 14.8 -89.3 -41.2 -4.5 28.1 36.0 115 416 B I H X S- 0 0 15 -4,-2.9 4,-0.5 -5,-0.2 -3,-0.2 0.452 105.5-116.8-117.2 -3.8 -3.1 25.6 38.5 116 417 B G H X - 0 0 28 -4,-2.4 4,-2.0 -5,-0.5 5,-0.2 0.184 31.4 -74.5 85.9 157.2 -3.7 27.2 41.9 117 418 B S H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.855 124.2 51.7 -51.0 -46.7 -1.6 28.5 44.8 118 419 B Q H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 112.5 41.1 -67.4 -48.4 -0.6 25.1 46.1 119 420 B R H X S+ 0 0 95 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.860 114.0 56.0 -67.7 -33.2 0.7 23.5 42.9 120 421 B S H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.885 108.3 47.4 -61.7 -40.2 2.4 26.8 42.0 121 422 B L H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.922 111.6 49.1 -72.4 -41.3 4.2 26.8 45.3 122 423 B Q H X S+ 0 0 92 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.860 110.6 52.4 -61.1 -37.2 5.3 23.1 44.8 123 424 B L H X S+ 0 0 17 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.930 110.6 47.2 -61.9 -50.2 6.4 24.0 41.3 124 425 B Y H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.936 112.7 48.0 -59.8 -49.9 8.5 26.9 42.7 125 426 B E H X S+ 0 0 18 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.921 111.4 51.2 -56.6 -44.8 10.1 24.7 45.5 126 427 B N H X S+ 0 0 76 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.913 107.6 52.4 -59.3 -42.1 10.9 22.0 43.0 127 428 B A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.916 107.9 53.6 -57.2 -43.6 12.6 24.6 40.7 128 429 B M H X S+ 0 0 14 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.964 111.5 43.5 -53.7 -53.8 14.6 25.6 43.7 129 430 B K H X S+ 0 0 102 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.914 114.7 48.7 -62.7 -45.3 15.8 22.0 44.3 130 431 B V H <>S+ 0 0 34 -4,-3.0 5,-2.4 1,-0.2 3,-0.2 0.868 112.5 49.2 -61.5 -37.6 16.5 21.3 40.7 131 432 B E H ><5S+ 0 0 66 -4,-2.7 3,-2.4 -5,-0.2 -2,-0.2 0.936 103.6 59.0 -66.9 -45.4 18.4 24.6 40.4 132 433 B N H 3<5S+ 0 0 87 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.763 105.5 52.6 -56.3 -24.6 20.5 23.7 43.6 133 434 B S T 3<5S- 0 0 110 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.380 134.4 -83.5 -91.9 1.3 21.6 20.6 41.7 134 435 B G T < 5 - 0 0 34 -3,-2.4 2,-0.2 11,-0.2 -3,-0.2 0.457 68.1 -99.9 110.2 2.3 22.9 22.3 38.5 135 436 B G < - 0 0 19 -5,-2.4 2,-0.3 -6,-0.2 10,-0.2 -0.566 51.2 -63.0 93.6-147.1 19.5 22.6 36.7 136 437 B L E -B 144 0B 30 8,-2.2 8,-2.3 -2,-0.2 2,-0.4 -0.888 27.2-121.9-141.1 169.4 18.2 20.4 34.0 137 438 B L E -B 143 0B 109 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.950 29.3-144.9-113.5 132.0 18.7 19.2 30.4 138 439 B T > - 0 0 16 4,-2.5 3,-1.8 -2,-0.4 6,-0.0 -0.349 33.8 -92.6 -87.3 173.7 15.9 19.7 27.9 139 440 B A T 3 S+ 0 0 92 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.797 129.1 46.3 -53.9 -35.1 14.9 17.5 25.0 140 441 B D T 3 S- 0 0 149 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.059 121.3-107.8 -99.4 27.3 17.2 19.4 22.6 141 442 B M S < S+ 0 0 145 -3,-1.8 2,-0.4 1,-0.2 -2,-0.1 0.748 70.8 144.1 54.1 29.7 20.1 19.2 25.2 142 443 B S - 0 0 41 2,-0.0 -4,-2.5 1,-0.0 2,-0.2 -0.795 47.0-128.3 -86.7 141.7 19.9 22.9 26.1 143 444 B R E -B 137 0B 137 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.2 -0.637 12.8-155.9 -89.9 148.6 20.7 23.4 29.8 144 445 B R E +B 136 0B 95 -8,-2.3 -8,-2.2 -2,-0.2 -2,-0.0 -0.955 27.0 156.3-124.6 109.0 18.6 25.3 32.2 145 446 B K + 0 0 126 -2,-0.5 2,-0.2 -10,-0.2 -11,-0.2 0.682 49.2 80.1-103.3 -30.6 20.7 26.5 35.1 146 447 B T S > S- 0 0 94 1,-0.1 4,-3.3 -12,-0.1 5,-0.3 -0.572 81.7-123.6 -86.5 148.2 18.7 29.5 36.3 147 448 B I H > S+ 0 0 22 1,-0.2 4,-3.1 -2,-0.2 5,-0.2 0.895 115.2 52.1 -55.1 -41.9 15.7 29.1 38.6 148 449 B G H > S+ 0 0 27 -46,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.901 112.1 46.2 -59.9 -42.9 13.6 31.1 36.0 149 450 B G H > S+ 0 0 14 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.930 114.8 45.5 -64.9 -47.6 14.8 28.7 33.2 150 451 B V H X S+ 0 0 0 -4,-3.3 4,-2.5 2,-0.2 5,-0.2 0.943 111.9 53.3 -63.2 -44.8 14.2 25.6 35.3 151 452 B F H X S+ 0 0 1 -4,-3.1 4,-2.1 -5,-0.3 -2,-0.2 0.941 109.1 48.1 -56.1 -53.4 10.7 26.9 36.4 152 453 B C H X S+ 0 0 57 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.852 112.0 49.0 -55.1 -40.7 9.5 27.6 32.8 153 454 B Y H X S+ 0 0 40 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.916 109.5 50.6 -70.2 -42.4 10.6 24.2 31.6 154 455 B L H X S+ 0 0 20 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.856 110.5 51.1 -60.8 -39.6 8.9 22.3 34.5 155 456 B L H X S+ 0 0 0 -4,-2.1 4,-0.8 -5,-0.2 3,-0.3 0.885 109.9 50.3 -63.4 -40.5 5.8 24.2 33.7 156 457 B K H >X S+ 0 0 108 -4,-1.9 4,-1.9 1,-0.2 3,-1.2 0.924 104.1 56.5 -61.9 -48.6 6.2 23.2 30.1 157 458 B Q H 3X S+ 0 0 83 -4,-2.8 4,-2.3 1,-0.3 -1,-0.2 0.760 98.6 63.7 -56.2 -27.4 6.6 19.5 31.0 158 459 B L H 3<>S+ 0 0 38 -4,-1.0 5,-3.8 -3,-0.3 6,-1.3 0.862 104.2 46.5 -61.8 -37.2 3.2 19.8 32.8 159 460 B V H X<5S+ 0 0 33 -3,-1.2 3,-1.5 -4,-0.8 -2,-0.2 0.938 115.3 45.1 -66.3 -49.1 1.7 20.5 29.3 160 461 B A H 3<5S+ 0 0 84 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.823 111.6 54.0 -63.2 -34.4 3.5 17.6 27.8 161 462 B E T 3<5S- 0 0 137 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.264 118.5-111.1 -87.9 10.5 2.6 15.4 30.8 162 463 B D T < 5S+ 0 0 139 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.742 88.9 112.1 71.7 23.4 -1.1 16.2 30.3 163 464 B Q S - 0 0 73 -2,-0.4 4,-2.8 -3,-0.1 5,-0.2 -0.486 18.5-117.7 -82.9 156.3 -4.0 22.0 28.5 166 467 B I H > S+ 0 0 125 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.904 118.7 55.0 -53.9 -48.6 -2.8 23.6 25.3 167 468 B Q H > S+ 0 0 172 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.944 113.2 42.6 -48.0 -50.9 -5.6 26.1 25.6 168 469 B E H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.836 111.4 52.3 -71.9 -37.8 -4.3 27.0 29.1 169 470 B W H X S+ 0 0 36 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.871 109.0 51.4 -64.3 -38.6 -0.6 27.0 28.2 170 471 B N H < S+ 0 0 97 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.846 109.8 50.0 -66.5 -35.0 -1.4 29.4 25.4 171 472 B Y H < S+ 0 0 110 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.963 107.1 55.0 -63.9 -50.7 -3.2 31.6 27.9 172 473 B I H < S+ 0 0 0 -4,-2.5 2,-0.9 -62,-0.1 -2,-0.2 0.859 98.1 64.1 -52.0 -49.3 -0.2 31.5 30.3 173 474 B R < 0 0 142 -4,-2.1 -1,-0.1 1,-0.1 -66,-0.0 -0.754 360.0 360.0 -78.6 109.0 2.3 32.8 27.7 174 475 B Q 0 0 195 -2,-0.9 -1,-0.1 0, 0.0 -4,-0.0 0.404 360.0 360.0 -13.6 360.0 0.8 36.2 27.2 175 !* 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 0.0 176 387 C D 0 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 43.6 33.1 35.0 109.6 177 388 C T > + 0 0 91 3,-0.0 4,-1.3 0, 0.0 5,-0.1 0.256 360.0 46.8-132.4 -32.6 33.0 36.3 106.1 178 389 C M H > S+ 0 0 28 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.673 112.4 54.7 -67.7 -23.0 32.5 32.8 104.7 179 390 C E H > S+ 0 0 55 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.839 101.7 53.7 -84.8 -33.1 29.9 32.6 107.5 180 391 C S H > S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.896 113.3 46.4 -57.7 -41.5 28.0 35.7 106.4 181 392 C I H X S+ 0 0 18 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.918 112.5 46.3 -72.1 -45.4 27.8 34.0 103.0 182 393 C V H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.954 112.3 55.0 -60.3 -45.7 26.7 30.6 104.3 183 394 C L H X S+ 0 0 27 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.906 112.7 39.5 -47.4 -58.8 24.2 32.5 106.5 184 395 C N H X S+ 0 0 53 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.864 113.5 54.4 -65.1 -43.8 22.6 34.3 103.6 185 396 C T H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.952 114.9 40.3 -53.4 -51.5 22.7 31.3 101.3 186 397 C I H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.932 115.4 52.5 -65.3 -44.1 20.9 29.2 103.9 187 398 C V H X S+ 0 0 41 -4,-2.8 4,-0.9 -5,-0.3 -2,-0.2 0.932 115.3 40.3 -57.3 -49.1 18.6 32.0 104.8 188 399 C T H < S+ 0 0 20 -4,-3.2 3,-0.4 1,-0.2 -1,-0.2 0.889 114.2 54.3 -65.5 -41.8 17.6 32.6 101.2 189 400 C G H < S+ 0 0 14 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.838 117.3 34.7 -64.3 -34.9 17.4 28.9 100.4 190 401 C L H < 0 0 18 -4,-2.6 46,-0.3 -5,-0.1 -1,-0.2 0.520 360.0 360.0 -91.9 -7.5 15.0 28.2 103.3 191 402 C Q < 0 0 172 -4,-0.9 -3,-0.2 -3,-0.4 -4,-0.1 0.872 360.0 360.0 59.6 360.0 13.0 31.5 103.1 192 ! 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 0.0 193 406 C K > 0 0 156 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -32.2 18.6 35.4 110.2 194 407 C E H > + 0 0 97 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.904 360.0 53.0 -63.6 -40.6 19.2 35.0 114.0 195 408 C F H > S+ 0 0 63 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.912 116.0 40.1 -60.0 -40.3 17.9 31.4 114.1 196 409 C I H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.902 111.3 57.9 -75.9 -38.5 20.2 30.4 111.3 197 410 C A H X S+ 0 0 15 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.898 105.4 51.7 -50.3 -42.9 23.0 32.5 112.8 198 411 C R H X S+ 0 0 35 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.894 107.9 50.8 -67.0 -36.0 22.7 30.4 116.0 199 412 C V H X S+ 0 0 0 -4,-1.4 4,-3.3 2,-0.2 5,-0.5 0.949 112.8 45.7 -63.4 -48.0 23.0 27.2 114.0 200 413 C I H X S+ 0 0 9 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.910 111.4 52.4 -58.9 -45.4 26.2 28.4 112.3 201 414 C K H < S+ 0 0 128 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.854 118.1 39.2 -59.0 -36.4 27.6 29.6 115.7 202 415 C T H < S+ 0 0 35 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.937 131.8 17.8 -82.4 -54.2 26.9 26.2 117.1 203 416 C I H X S- 0 0 23 -4,-3.3 4,-0.6 -5,-0.2 -3,-0.2 0.540 106.2-114.0 -99.3 -3.8 27.8 23.6 114.4 204 417 C G H X - 0 0 23 -4,-2.0 4,-2.1 -5,-0.5 5,-0.2 0.066 31.2 -82.1 85.9 157.4 30.0 25.7 112.1 205 418 C S H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.844 126.0 60.3 -67.8 -30.5 29.3 26.9 108.4 206 419 C Q H > S+ 0 0 82 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.957 110.2 36.7 -58.3 -56.6 30.5 23.5 107.2 207 420 C R H X S+ 0 0 126 -4,-0.6 4,-1.7 1,-0.2 -2,-0.2 0.863 113.8 59.5 -71.5 -33.3 27.9 21.3 109.0 208 421 C S H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.910 105.0 48.5 -53.7 -47.7 25.2 24.0 108.4 209 422 C L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.908 108.3 54.1 -64.1 -42.1 25.7 23.8 104.6 210 423 C Q H X S+ 0 0 77 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.836 108.8 49.9 -56.9 -37.6 25.5 20.0 104.8 211 424 C L H X S+ 0 0 9 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.876 110.9 48.5 -67.6 -40.5 22.2 20.3 106.6 212 425 C Y H X S+ 0 0 3 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.946 113.4 48.0 -65.3 -46.8 20.9 22.8 103.9 213 426 C E H X S+ 0 0 13 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.893 110.6 50.4 -56.8 -46.9 21.9 20.4 101.2 214 427 C N H X S+ 0 0 65 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.864 108.7 51.9 -63.6 -38.8 20.3 17.4 103.0 215 428 C A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.868 110.0 50.5 -61.6 -41.0 17.1 19.4 103.3 216 429 C M H X S+ 0 0 14 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.883 107.8 52.2 -64.3 -39.7 17.3 20.1 99.6 217 430 C K H X S+ 0 0 95 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.916 109.9 49.1 -63.7 -43.7 17.8 16.3 98.8 218 431 C V H <>S+ 0 0 35 -4,-2.2 5,-2.3 2,-0.2 -1,-0.2 0.887 110.9 50.0 -57.9 -45.3 14.8 15.5 100.8 219 432 C E H ><5S+ 0 0 39 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.931 108.7 52.6 -62.4 -41.2 12.9 18.2 98.9 220 433 C N H 3<5S+ 0 0 77 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.831 104.2 57.9 -63.2 -30.3 14.2 16.7 95.6 221 434 C S T 3<5S- 0 0 110 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.249 135.8 -84.5 -79.8 11.2 12.8 13.3 96.8 222 435 C G T < 5 - 0 0 41 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.671 65.6-106.0 91.7 17.2 9.3 14.7 97.1 223 436 C G < - 0 0 15 -5,-2.3 2,-0.3 -6,-0.2 11,-0.1 -0.087 37.8 -76.5 77.1-167.7 9.5 16.2 100.6 224 437 C L - 0 0 58 9,-0.3 9,-3.1 10,-0.1 2,-0.2 -0.940 39.0-115.6-131.2 156.9 8.0 15.2 103.9 225 438 C L B -C 232 0C 91 -2,-0.3 7,-0.2 7,-0.3 2,-0.0 -0.614 28.4-112.0 -85.9 149.8 4.5 15.4 105.3 226 439 C T > - 0 0 14 5,-2.5 3,-1.6 -2,-0.2 -1,-0.1 -0.296 42.9 -96.8 -62.3 167.1 3.5 17.5 108.2 227 440 C A T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.764 129.0 50.3 -63.3 -28.2 2.3 15.4 111.3 228 441 C D T 3 S- 0 0 111 3,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.450 105.5-133.4 -89.6 -1.5 -1.3 15.9 110.2 229 442 C M S < S+ 0 0 138 -3,-1.6 -2,-0.1 2,-0.2 3,-0.1 0.706 71.3 120.7 60.7 25.6 -0.4 14.8 106.7 230 443 C S S S- 0 0 82 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.719 78.4 -1.8 -94.5 -25.3 -2.3 17.6 105.1 231 444 C R S S- 0 0 138 3,-0.0 -5,-2.5 -5,-0.0 -1,-0.2 -0.957 81.6 -84.2-150.4 173.1 0.6 19.1 103.3 232 445 C R B -C 225 0C 111 -2,-0.3 -7,-0.3 -7,-0.2 2,-0.2 -0.483 51.5-107.1 -66.8 148.8 4.3 18.9 102.6 233 446 C K - 0 0 53 -9,-3.1 -9,-0.3 -2,-0.1 -1,-0.1 -0.593 37.0-112.8 -67.9 142.2 6.5 20.5 105.2 234 447 C T > - 0 0 84 -2,-0.2 4,-1.7 1,-0.1 3,-0.2 -0.304 33.3-104.0 -62.2 165.7 8.1 23.7 103.8 235 448 C I H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.816 124.6 61.4 -69.5 -26.9 11.9 23.3 103.4 236 449 C G H > S+ 0 0 20 -46,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.931 104.8 47.5 -57.4 -44.8 12.2 25.4 106.6 237 450 C G H > S+ 0 0 26 2,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.869 109.2 53.2 -65.6 -36.9 10.4 22.6 108.4 238 451 C V H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.948 107.4 51.3 -61.6 -49.6 12.5 19.9 106.8 239 452 C F H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.855 110.1 50.3 -56.7 -38.2 15.7 21.7 108.0 240 453 C C H X S+ 0 0 52 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.873 109.8 49.0 -70.5 -38.9 14.3 21.8 111.6 241 454 C Y H X S+ 0 0 96 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.885 113.6 48.1 -62.2 -41.5 13.4 18.1 111.6 242 455 C L H X S+ 0 0 28 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.841 110.8 50.0 -67.1 -35.2 17.0 17.4 110.3 243 456 C L H >X S+ 0 0 1 -4,-1.8 4,-1.0 2,-0.2 3,-0.7 0.898 108.8 52.3 -70.8 -40.9 18.5 19.7 112.9 244 457 C K H 3X S+ 0 0 120 -4,-2.1 4,-1.6 1,-0.3 -2,-0.2 0.793 102.5 59.9 -66.3 -29.4 16.5 17.9 115.6 245 458 C Q H 3X S+ 0 0 63 -4,-1.3 4,-1.9 1,-0.2 -1,-0.3 0.790 97.3 60.1 -66.9 -26.3 17.9 14.7 114.1 246 459 C L H <<>S+ 0 0 31 -4,-0.8 5,-3.6 -3,-0.7 6,-0.9 0.878 105.3 47.7 -68.5 -33.3 21.3 16.0 115.1 247 460 C V H ><5S+ 0 0 20 -4,-1.0 3,-1.4 4,-0.2 -2,-0.2 0.878 109.3 53.5 -70.6 -38.4 20.2 16.2 118.7 248 461 C A H 3<5S+ 0 0 65 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.869 109.9 47.8 -66.0 -36.4 18.8 12.6 118.5 249 462 C E T 3<5S- 0 0 110 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.229 119.1-111.9 -88.8 11.7 22.2 11.4 117.2 250 463 C D T < 5S+ 0 0 144 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.785 83.9 121.8 65.4 32.7 24.0 13.2 120.0 251 464 C Q S - 0 0 74 -2,-0.4 4,-2.0 -3,-0.1 5,-0.1 -0.359 23.5-111.1 -76.5 165.6 23.7 18.9 123.0 254 467 C I H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.943 121.2 52.5 -62.1 -48.2 20.3 19.7 124.7 255 468 C Q H > S+ 0 0 153 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.905 109.7 49.0 -50.2 -46.4 21.7 23.0 125.9 256 469 C E H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.867 108.1 54.2 -64.6 -34.5 22.9 23.8 122.4 257 470 C W H X S+ 0 0 38 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.870 108.8 48.7 -66.8 -36.5 19.4 22.9 121.0 258 471 C N H X S+ 0 0 75 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.861 108.8 52.6 -69.9 -38.0 17.8 25.4 123.4 259 472 C Y H >< S+ 0 0 103 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.948 112.1 46.6 -61.6 -48.4 20.2 28.2 122.5 260 473 C I H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.888 112.4 49.9 -57.8 -46.1 19.4 27.7 118.8 261 474 C R H 3< 0 0 130 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.541 360.0 360.0 -79.5 -11.7 15.6 27.6 119.4 262 475 C Q << 0 0 165 -4,-1.1 -4,-0.0 -3,-0.6 -3,-0.0 -0.605 360.0 360.0-176.7 360.0 15.2 30.8 121.6 263 !* 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 0.0 264 387 D D > 0 0 150 0, 0.0 4,-0.8 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -11.9 39.1 21.0 100.2 265 388 D T H > + 0 0 82 2,-0.2 4,-1.2 3,-0.1 5,-0.1 0.873 360.0 49.0 -83.6 -39.1 36.2 19.8 102.4 266 389 D M H >> S+ 0 0 33 2,-0.2 4,-2.7 1,-0.2 3,-0.5 0.950 115.4 44.6 -58.9 -48.0 34.4 23.1 102.5 267 390 D E H 3> S+ 0 0 54 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.778 109.8 56.0 -71.8 -24.7 34.8 23.4 98.7 268 391 D S H 3X S+ 0 0 50 -4,-0.8 4,-1.1 2,-0.2 -1,-0.3 0.740 112.2 44.0 -70.7 -24.9 33.7 19.8 98.5 269 392 D I H 0 0 163 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -56.1 29.4 18.1 89.1 282 407 D E H > + 0 0 136 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.820 360.0 51.4 -49.3 -44.3 32.5 18.7 87.0 283 408 D F H > S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.951 113.1 44.1 -60.4 -50.6 31.3 22.0 85.6 284 409 D I H > S+ 0 0 10 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.840 108.0 60.2 -66.0 -32.7 30.4 23.5 89.0 285 410 D A H X S+ 0 0 30 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.938 104.4 48.8 -58.1 -47.3 33.8 22.2 90.4 286 411 D R H X S+ 0 0 41 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.838 106.9 55.7 -64.2 -36.8 35.7 24.3 87.8 287 412 D V H X S+ 0 0 1 -4,-1.5 4,-3.2 2,-0.2 5,-0.4 0.917 111.4 45.2 -54.4 -47.1 33.6 27.4 88.7 288 413 D I H X S+ 0 0 7 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.903 111.7 49.6 -67.6 -47.2 34.7 26.9 92.4 289 414 D K H < S+ 0 0 150 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.680 118.6 44.7 -62.8 -19.2 38.3 26.3 91.5 290 415 D T H < S+ 0 0 30 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.886 128.1 16.9 -92.9 -48.2 38.1 29.5 89.4 291 416 D I H < S- 0 0 25 -4,-3.2 4,-0.4 1,-0.1 -3,-0.2 0.591 106.9-106.7-107.5 -9.1 36.2 32.0 91.6 292 417 D G X - 0 0 30 -4,-2.1 4,-2.1 -5,-0.4 5,-0.1 0.094 29.1 -88.6 94.6 147.8 36.5 30.6 95.1 293 418 D S H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.857 124.5 56.1 -52.6 -42.9 33.9 28.9 97.3 294 419 D Q H > S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.943 111.3 40.0 -61.0 -49.0 32.9 32.3 98.7 295 420 D R H > S+ 0 0 74 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.822 112.1 57.9 -74.1 -30.6 32.0 33.9 95.4 296 421 D S H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.892 107.5 46.1 -66.6 -42.2 30.4 30.7 94.0 297 422 D L H X S+ 0 0 0 -4,-2.1 4,-4.0 2,-0.2 5,-0.2 0.902 110.2 54.2 -66.3 -42.2 27.9 30.6 96.9 298 423 D Q H X S+ 0 0 94 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.892 111.6 45.7 -55.2 -40.1 27.1 34.3 96.4 299 424 D L H X S+ 0 0 14 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.925 112.5 49.0 -70.4 -46.1 26.4 33.5 92.8 300 425 D Y H X S+ 0 0 4 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.933 113.6 49.0 -57.1 -48.3 24.3 30.4 93.7 301 426 D E H X S+ 0 0 20 -4,-4.0 4,-2.1 2,-0.2 -2,-0.2 0.904 110.7 48.5 -57.2 -44.3 22.5 32.6 96.2 302 427 D N H X S+ 0 0 76 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.886 108.2 55.0 -67.7 -34.7 21.9 35.4 93.7 303 428 D A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.875 107.6 51.5 -57.9 -40.4 20.6 32.9 91.1 304 429 D M H X S+ 0 0 16 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.918 110.5 45.8 -64.3 -48.1 18.1 31.8 93.8 305 430 D K H X S+ 0 0 91 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.943 115.1 48.5 -64.5 -45.1 16.8 35.3 94.4 306 431 D V H ><>S+ 0 0 31 -4,-2.6 5,-2.4 1,-0.2 3,-0.5 0.918 110.1 50.5 -59.7 -49.3 16.6 36.0 90.7 307 432 D E H ><5S+ 0 0 69 -4,-3.0 3,-2.1 1,-0.2 -1,-0.2 0.918 104.5 60.3 -51.2 -45.9 14.8 32.7 90.0 308 433 D N H 3<5S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.829 104.1 49.1 -55.4 -35.7 12.3 33.6 92.8 309 434 D S T <<5S- 0 0 111 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.159 136.4 -81.6 -91.7 18.9 11.3 36.8 90.9 310 435 D G T < 5 - 0 0 36 -3,-2.1 -3,-0.2 11,-0.1 -2,-0.2 0.564 64.5-102.1 98.3 9.9 10.7 34.9 87.6 311 436 D G < - 0 0 18 -5,-2.4 2,-0.3 -6,-0.2 10,-0.2 -0.468 52.9 -71.5 81.5-147.0 14.3 34.6 86.3 312 437 D L E -D 320 0D 34 8,-2.4 8,-2.8 -2,-0.1 2,-0.5 -0.891 22.4-114.2-144.9 173.7 15.6 36.9 83.6 313 438 D L E -D 319 0D 86 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.969 32.4-145.7-111.6 122.5 15.6 37.9 80.0 314 439 D T > - 0 0 12 4,-2.4 3,-1.7 -2,-0.5 6,-0.0 -0.199 36.6 -91.8 -72.4 174.4 18.9 37.5 78.0 315 440 D A T 3 S+ 0 0 80 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.738 129.0 54.1 -57.1 -27.3 20.2 39.8 75.3 316 441 D D T 3 S- 0 0 88 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.278 120.8-107.3 -92.3 11.3 18.4 37.5 72.7 317 442 D M S < S+ 0 0 37 -3,-1.7 2,-0.5 1,-0.3 -2,-0.1 0.783 72.2 147.3 62.7 32.6 15.0 37.8 74.5 318 443 D S - 0 0 4 -236,-0.0 -4,-2.4 -232,-0.0 -1,-0.3 -0.863 45.9-129.4 -99.7 124.3 15.4 34.3 75.7 319 444 D R E -D 313 0D 96 -2,-0.5 2,-0.5 -6,-0.2 -6,-0.2 -0.550 15.4-164.4 -75.9 136.0 13.8 33.7 79.2 320 445 D R E +D 312 0D 65 -8,-2.8 -8,-2.4 -2,-0.2 -2,-0.0 -0.957 27.2 151.5-117.3 105.1 15.8 32.0 81.9 321 446 D K + 0 0 107 -2,-0.5 2,-0.3 -10,-0.2 -11,-0.1 0.622 46.6 79.4-110.0 -20.8 13.3 30.9 84.4 322 447 D T S > S- 0 0 92 1,-0.1 4,-3.0 -12,-0.1 5,-0.2 -0.657 84.3-119.2 -88.6 152.7 15.0 27.8 86.0 323 448 D I H > S+ 0 0 20 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.871 112.4 50.6 -54.9 -43.4 17.7 28.2 88.6 324 449 D G H > S+ 0 0 20 -46,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.935 112.0 45.3 -65.8 -51.1 20.3 26.4 86.5 325 450 D G H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 116.0 48.3 -53.9 -46.2 19.6 28.5 83.3 326 451 D V H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.970 110.5 50.7 -59.9 -52.8 19.7 31.6 85.5 327 452 D F H X S+ 0 0 1 -4,-3.4 4,-1.7 1,-0.3 -2,-0.2 0.895 110.3 50.4 -54.3 -47.9 22.9 30.5 87.2 328 453 D C H X S+ 0 0 50 -4,-2.8 4,-2.0 1,-0.2 -1,-0.3 0.881 110.5 48.9 -54.3 -43.8 24.6 29.9 83.8 329 454 D Y H X S+ 0 0 49 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.914 110.5 49.4 -67.6 -41.1 23.6 33.3 82.5 330 455 D L H X S+ 0 0 16 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.819 109.5 54.3 -66.5 -30.4 24.8 35.2 85.6 331 456 D L H >X S+ 0 0 0 -4,-1.7 4,-0.8 -5,-0.3 3,-0.7 0.942 107.1 49.0 -67.2 -47.7 28.1 33.3 85.3 332 457 D K H 3X S+ 0 0 101 -4,-2.0 4,-1.9 1,-0.2 3,-0.3 0.787 104.5 61.1 -59.0 -31.9 28.6 34.4 81.7 333 458 D Q H 3X S+ 0 0 84 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.821 94.0 62.0 -68.9 -32.2 27.9 38.0 82.7 334 459 D L H <<>S+ 0 0 30 -4,-1.0 5,-3.7 -3,-0.7 6,-1.2 0.873 105.6 48.4 -58.4 -36.6 30.9 38.0 85.0 335 460 D V H ><5S+ 0 0 17 -4,-0.8 3,-2.2 -3,-0.3 -2,-0.2 0.966 111.9 46.9 -65.7 -54.8 33.0 37.4 81.9 336 461 D A H 3<5S+ 0 0 82 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.759 113.4 50.5 -57.6 -27.9 31.2 40.2 80.0 337 462 D E T 3<5S- 0 0 137 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.273 116.3-117.6 -92.8 8.7 31.8 42.4 83.1 338 463 D D T < 5S+ 0 0 136 -3,-2.2 -3,-0.2 2,-0.3 3,-0.1 0.769 84.7 116.5 59.1 33.0 35.5 41.4 83.2 339 464 D Q S - 0 0 57 -2,-0.4 4,-2.6 -3,-0.1 5,-0.1 -0.365 22.5-109.7 -72.0 158.1 38.9 36.6 82.4 342 467 D I H > S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.851 118.7 55.1 -54.0 -41.7 38.5 34.9 79.0 343 468 D Q H > S+ 0 0 153 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.903 109.6 46.2 -63.2 -44.6 41.1 32.3 79.9 344 469 D E H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.935 110.0 53.7 -63.6 -47.5 39.2 31.3 83.0 345 470 D W H X S+ 0 0 30 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.925 108.5 49.8 -54.0 -45.4 35.9 31.2 81.1 346 471 D N H X S+ 0 0 90 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.865 107.5 54.6 -62.0 -38.7 37.5 28.8 78.6 347 472 D Y H < S+ 0 0 111 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.881 113.2 43.2 -57.8 -40.4 38.8 26.7 81.5 348 473 D I H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.878 103.9 59.5 -78.0 -43.2 35.2 26.4 82.9 349 474 D R H < 0 0 149 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.692 360.0 360.0 -62.2 -23.4 33.2 25.8 79.6 350 475 D Q < 0 0 185 -4,-0.9 -1,-0.1 -5,-0.2 -4,-0.1 -0.584 360.0 360.0 166.2 360.0 35.4 22.7 79.4