==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-APR-10 2XCQ . COMPND 2 MOLECULE: DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR B.D.BAX,P.F.CHAN,D.S.EGGLESTON,A.FOSBERRY,D.R.GENTRY,F.GORRE . 652 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 472 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 42 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.4 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 1 1 1 2 3 1 3 5 1 0 1 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 1 1 0 1 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 . 5 3 3 2 2 1 1 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 . 1 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 411 A V 0 0 157 0, 0.0 2,-1.2 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-171.4 16.3 102.9 5.0 2 412 A A + 0 0 28 1,-0.2 81,-0.1 67,-0.1 66,-0.0 -0.670 360.0 115.9 -90.6 78.1 13.0 104.5 6.0 3 413 A S - 0 0 35 -2,-1.2 5,-0.3 7,-0.1 3,-0.3 0.700 56.0-153.7-127.1 -27.9 11.7 101.3 7.7 4 414 A L >> - 0 0 41 -3,-0.3 4,-2.7 1,-0.2 3,-2.2 0.922 30.3-135.2 45.0 68.6 11.1 101.5 11.5 5 415 A P B 34 S+a 8 0A 115 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.317 82.0 7.4 -70.2 109.7 11.7 97.8 12.1 6 416 A G T 34 S+ 0 0 81 2,-0.7 -2,-0.1 -2,-0.4 3,-0.1 0.210 127.2 59.0 107.5 -15.8 9.0 96.5 14.3 7 417 A K T <4 S+ 0 0 69 -3,-2.2 2,-0.3 -4,-0.2 -3,-0.1 0.625 99.9 57.8-111.6 -26.5 6.8 99.6 14.5 8 418 A L B < S-a 5 0A 8 -4,-2.7 2,-0.9 -5,-0.3 -2,-0.7 -0.793 76.5-135.3-100.8 148.6 6.1 99.9 10.8 9 419 A A B -B 44 0B 8 35,-2.1 35,-1.0 -2,-0.3 -5,-0.1 -0.844 34.5-144.3-101.0 96.1 4.4 97.3 8.7 10 420 A D - 0 0 93 -2,-0.9 2,-0.3 33,-0.2 32,-0.1 -0.168 5.7-142.3 -65.1 149.3 6.7 97.4 5.6 11 421 A C - 0 0 7 2,-0.2 29,-0.2 30,-0.1 30,-0.1 -0.884 10.2-134.7-114.8 148.2 5.4 96.9 2.1 12 422 A S S S+ 0 0 83 27,-2.7 29,-0.2 -2,-0.3 28,-0.2 0.859 80.0 85.3 -72.3 -38.8 7.2 95.0 -0.7 13 423 A S - 0 0 19 27,-3.7 -2,-0.2 26,-0.2 0, 0.0 -0.378 60.1-163.6 -65.1 144.6 6.7 97.4 -3.6 14 424 A K + 0 0 131 -2,-0.1 -1,-0.1 69,-0.0 27,-0.0 0.602 56.0 91.3-114.2 -15.7 9.3 100.1 -3.7 15 425 A S >> - 0 0 46 1,-0.1 4,-1.0 68,-0.1 3,-0.8 -0.765 67.2-141.6 -87.6 120.4 8.1 103.0 -5.9 16 426 A P G >4 S+ 0 0 39 0, 0.0 69,-1.4 0, 0.0 3,-0.6 0.828 94.9 68.4 -41.4 -50.4 6.1 105.6 -4.0 17 427 A E G 34 S+ 0 0 126 1,-0.3 68,-0.1 67,-0.1 -2,-0.0 0.889 107.8 39.7 -37.6 -56.1 3.5 106.2 -6.7 18 428 A E G <4 S+ 0 0 100 -3,-0.8 -1,-0.3 66,-0.1 2,-0.1 0.822 103.6 90.4 -59.7 -38.3 2.1 102.7 -6.0 19 429 A C << - 0 0 0 -4,-1.0 66,-1.3 -3,-0.6 67,-0.7 -0.357 47.8-176.4 -88.0 144.5 2.5 102.8 -2.2 20 430 A E E -cd 42 86B 4 21,-1.9 23,-3.2 64,-0.2 2,-0.4 -0.955 10.8-152.1-131.5 148.8 0.1 103.9 0.6 21 431 A I E -cd 43 87B 0 65,-2.0 67,-3.1 -2,-0.3 2,-0.5 -0.985 7.3-149.4-129.0 125.3 0.5 104.2 4.4 22 432 A F E -cd 44 88B 0 21,-3.4 23,-3.2 -2,-0.4 2,-0.7 -0.793 1.1-157.8 -96.7 126.9 -2.2 103.9 6.9 23 433 A L E +cd 45 89B 1 65,-3.1 67,-3.0 -2,-0.5 2,-0.3 -0.935 31.0 165.9 -97.7 106.4 -2.0 105.8 10.2 24 434 A V E -cd 46 90B 1 21,-1.3 23,-2.4 -2,-0.7 2,-0.4 -0.922 42.8-100.5-125.7 152.8 -4.4 103.8 12.4 25 435 A E E >> -c 47 0B 32 65,-0.9 4,-3.2 -2,-0.3 5,-1.0 -0.630 32.1-135.7 -76.7 125.5 -4.8 103.8 16.2 26 436 A G H >5S+ 0 0 24 21,-2.0 4,-2.2 -2,-0.4 5,-0.5 0.888 99.0 32.1 -39.2 -82.3 -3.0 100.8 17.8 27 437 A D H 45S+ 0 0 170 1,-0.2 -1,-0.2 2,-0.2 21,-0.1 0.737 121.9 56.8 -49.5 -28.1 -5.5 99.4 20.3 28 438 A S H 45S- 0 0 20 -3,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.981 136.2 -26.2 -71.2 -58.5 -8.3 100.4 17.9 29 439 A A H X5S+ 0 0 2 -4,-3.2 4,-3.5 61,-0.1 5,-0.3 0.325 94.5 117.0-147.0 4.3 -7.4 98.7 14.7 30 440 A G H X S+ 0 0 52 -5,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.927 119.5 48.2 -53.3 -50.5 -3.6 94.3 14.4 32 442 A S H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.864 111.3 49.7 -62.2 -38.3 -6.7 94.1 12.2 33 443 A T H X S+ 0 0 0 -4,-3.5 4,-1.4 1,-0.2 -1,-0.2 0.924 109.6 53.8 -63.3 -42.3 -5.3 96.7 9.7 34 444 A K H < S+ 0 0 96 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.790 113.5 40.6 -62.7 -32.3 -2.0 94.9 9.6 35 445 A S H < S+ 0 0 99 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.900 114.1 49.5 -83.9 -40.1 -3.6 91.5 8.6 36 446 A G H < S+ 0 0 12 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.1 0.721 93.4 97.7 -71.0 -23.1 -6.2 92.7 6.2 37 447 A R S < S- 0 0 52 -4,-1.4 2,-0.9 -5,-0.2 137,-0.1 -0.009 80.2-110.0 -73.5 170.4 -3.9 94.9 4.1 38 448 A D >> - 0 0 33 1,-0.1 4,-2.2 140,-0.1 3,-1.9 -0.846 27.8-167.4-101.9 94.4 -2.1 94.2 0.8 39 449 A S T 34 S+ 0 0 63 -2,-0.9 -27,-2.7 1,-0.3 -26,-0.2 0.393 79.3 74.7 -74.8 3.1 1.5 94.0 1.9 40 450 A R T 34 S- 0 0 167 -29,-0.2 -27,-3.7 -28,-0.2 -1,-0.3 0.868 126.6 -3.1 -68.0 -39.0 2.7 94.2 -1.7 41 451 A T T <4 S+ 0 0 24 -3,-1.9 -21,-1.9 -29,-0.2 2,-0.5 0.300 113.0 89.2-141.9 4.8 1.8 98.0 -1.6 42 452 A Q E < - c 0 20B 0 -4,-2.2 2,-0.3 -23,-0.2 -21,-0.2 -0.951 47.8-168.3-118.5 129.6 0.2 98.9 1.8 43 453 A A E - c 0 21B 0 -23,-3.2 -21,-3.4 -2,-0.5 2,-0.5 -0.844 6.5-153.1-111.7 149.6 2.1 100.1 4.9 44 454 A I E -Bc 9 22B 0 -35,-1.0 -35,-2.1 -2,-0.3 -21,-0.2 -0.977 12.5-175.6-127.8 122.1 0.7 100.4 8.5 45 455 A L E - c 0 23B 0 -23,-3.2 -21,-1.3 -2,-0.5 2,-0.7 -0.898 16.1-159.8-111.0 98.0 1.9 102.8 11.2 46 456 A P E - c 0 24B 11 0, 0.0 2,-0.4 0, 0.0 -21,-0.2 -0.680 16.4-147.0 -79.8 113.5 -0.2 101.9 14.3 47 457 A L E - c 0 25B 4 -23,-2.4 -21,-2.0 -2,-0.7 2,-0.2 -0.718 13.7-118.3 -89.9 130.7 0.1 104.9 16.5 48 458 A R > - 0 0 44 -2,-0.4 4,-0.6 -23,-0.2 13,-0.1 -0.479 26.7-161.8 -49.4 123.2 0.1 104.8 20.3 49 459 A G T 4 S+ 0 0 14 -2,-0.2 -1,-0.1 2,-0.2 -24,-0.0 0.759 81.4 55.0 -90.1 -26.6 -3.0 106.9 21.3 50 460 A K T 4 S+ 0 0 183 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.648 107.5 50.6 -83.0 -18.5 -2.2 107.7 24.9 51 461 A I T 4 S+ 0 0 70 1,-0.2 2,-0.7 2,-0.1 -1,-0.2 0.733 101.3 64.9 -85.9 -28.3 1.1 109.3 24.0 52 462 A L S < S+ 0 0 6 -4,-0.6 -1,-0.2 2,-0.1 -2,-0.1 -0.224 82.1 123.9 -83.6 46.0 -0.8 111.3 21.4 53 463 A N 0 0 105 -2,-0.7 -2,-0.1 -3,-0.4 -3,-0.0 0.511 360.0 360.0 -75.8-135.7 -2.7 113.0 24.3 54 464 A V 0 0 137 49,-0.0 -2,-0.1 0, 0.0 -3,-0.1 0.592 360.0 360.0 -91.2 360.0 -2.8 116.8 24.8 55 ! 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 56 472 A I 0 0 149 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.0 6.6 120.5 22.1 57 473 A L + 0 0 39 50,-0.0 2,-1.5 1,-0.0 5,-0.1 0.255 360.0 95.6-141.2 -11.4 4.8 118.5 19.4 58 474 A N + 0 0 119 4,-0.1 2,-0.3 3,-0.1 -1,-0.0 -0.655 55.6 163.7 -79.8 86.1 7.7 116.3 18.3 59 475 A N >> - 0 0 39 -2,-1.5 4,-2.5 -3,-0.1 3,-1.2 -0.779 56.3 -94.6-104.2 153.4 7.0 113.2 20.5 60 476 A N H 3> S+ 0 0 91 -2,-0.3 4,-0.9 1,-0.3 -1,-0.0 0.752 127.2 47.9 -38.5 -38.5 8.5 109.7 20.0 61 477 A E H 3> S+ 0 0 10 2,-0.2 4,-1.9 1,-0.2 3,-0.4 0.914 111.8 46.8 -66.3 -47.7 5.4 108.7 17.9 62 478 A I H <> S+ 0 0 2 -3,-1.2 4,-2.5 1,-0.3 -2,-0.2 0.916 105.7 61.3 -64.9 -38.4 5.4 111.8 15.7 63 479 A R H X S+ 0 0 167 -4,-2.5 4,-2.3 1,-0.2 -1,-0.3 0.837 104.0 50.4 -53.3 -36.1 9.1 111.2 15.2 64 480 A Q H X S+ 0 0 32 -4,-0.9 4,-2.0 -3,-0.4 -1,-0.2 0.943 106.1 53.1 -69.9 -47.4 8.1 107.9 13.7 65 481 A M H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 3,-0.2 0.934 112.9 46.1 -49.8 -50.4 5.5 109.5 11.3 66 482 A I H X S+ 0 0 41 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.934 114.0 45.5 -60.9 -50.0 8.2 111.9 10.1 67 483 A T H < S+ 0 0 74 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.704 111.4 56.1 -69.6 -18.6 10.9 109.2 9.6 68 484 A A H < S+ 0 0 1 -4,-2.0 15,-0.2 -3,-0.2 -1,-0.2 0.908 110.2 41.4 -78.4 -44.9 8.4 106.9 7.9 69 485 A F H < S- 0 0 4 -4,-2.1 14,-0.4 -5,-0.2 2,-0.2 0.972 98.9-126.6 -65.6 -80.2 7.4 109.3 5.2 70 486 A G S < S+ 0 0 19 -4,-0.9 -1,-0.2 12,-0.2 12,-0.1 -0.694 73.4 75.6 167.1-120.2 10.6 111.0 4.0 71 487 A T - 0 0 29 7,-0.7 6,-0.2 10,-0.3 7,-0.2 0.445 52.9-166.5 31.7-148.6 10.6 114.9 4.0 72 488 A G - 0 0 13 5,-0.4 5,-0.2 1,-0.2 4,-0.2 -0.348 41.0 -68.0 168.2 -83.5 10.9 116.9 7.3 73 489 A I S S- 0 0 90 2,-1.4 -1,-0.2 3,-0.6 38,-0.0 -0.570 88.9 -34.9-156.8-124.3 10.1 120.6 7.5 74 490 A G S S+ 0 0 64 -2,-0.2 2,-0.7 2,-0.1 3,-0.4 0.749 129.3 74.3 -78.9 -33.8 11.9 123.6 6.0 75 491 A G S S- 0 0 44 1,-0.3 -2,-1.4 2,-0.1 -1,-0.0 -0.787 124.7 -10.4 -75.0 113.3 15.0 121.6 6.7 76 492 A D S S+ 0 0 119 -2,-0.7 -3,-0.6 -4,-0.2 -1,-0.3 0.980 80.2 170.7 48.7 89.1 14.7 119.0 3.9 77 493 A F + 0 0 143 -3,-0.4 -5,-0.4 -5,-0.2 4,-0.1 0.894 15.0 144.8 -92.4 -51.4 11.2 119.6 2.5 78 494 A D > - 0 0 69 -7,-0.2 -7,-0.7 1,-0.1 3,-0.7 0.537 30.7-173.1 -3.8 108.8 10.9 117.5 -0.7 79 495 A L T 3 S+ 0 0 60 1,-0.2 -1,-0.1 -9,-0.1 -2,-0.0 0.679 92.6 64.9 -73.6 -25.7 7.6 115.9 -1.5 80 496 A A T 3 S+ 0 0 89 -10,-0.0 2,-0.4 0, 0.0 -1,-0.2 0.287 89.4 97.3 -78.5 9.1 9.6 114.2 -4.3 81 497 A K S < S- 0 0 112 -3,-0.7 -10,-0.3 -4,-0.1 0, 0.0 -0.862 82.2 -24.7-105.2 135.4 11.5 112.5 -1.5 82 498 A A S S- 0 0 46 -2,-0.4 -12,-0.2 -12,-0.1 -13,-0.1 0.414 83.2 -39.9 54.5 176.5 10.8 109.0 -0.2 83 499 A R S S+ 0 0 25 -14,-0.4 -2,-0.1 -15,-0.2 -68,-0.1 0.239 82.7 60.2 -86.1-175.9 7.8 106.8 -0.1 84 500 A Y - 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0 0 9 -35,-2.2 -33,-0.2 -2,-0.4 61,-0.1 -0.616 11.0-143.5 -90.7 156.7 -10.6 106.7 5.4 125 541 A Q - 0 0 80 52,-0.3 3,-0.1 59,-0.2 -35,-0.0 -0.809 17.3-172.3-122.3 86.4 -14.3 105.9 5.1 126 542 A P - 0 0 40 0, 0.0 47,-0.0 0, 0.0 39,-0.0 -0.310 41.1 -86.6 -60.7 159.4 -15.4 102.8 7.0 127 543 A P - 0 0 4 0, 0.0 14,-0.3 0, 0.0 3,-0.1 -0.163 35.7-156.3 -53.9 165.7 -19.0 101.5 6.6 128 544 A L + 0 0 29 12,-3.9 34,-2.7 1,-0.4 2,-0.4 0.673 64.8 29.4-120.4 -32.1 -21.5 103.2 8.9 129 545 A Y E -GH 140 161C 32 11,-1.4 11,-1.8 32,-0.2 2,-0.5 -0.975 51.1-161.4-132.5 143.8 -24.4 100.8 9.2 130 546 A K E -GH 139 160C 46 30,-2.6 30,-1.4 -2,-0.4 2,-0.3 -0.974 17.9-164.5-119.5 115.6 -24.9 97.1 9.1 131 547 A L E -GH 138 159C 7 7,-0.6 7,-1.5 -2,-0.5 2,-0.3 -0.776 10.8-160.9 -97.6 143.2 -28.6 96.1 8.4 132 548 A T + 0 0 42 26,-0.5 5,-0.2 -2,-0.3 3,-0.1 -0.854 42.6 139.1-128.4 152.2 -29.8 92.6 9.1 133 549 A Q S S- 0 0 78 -2,-0.3 2,-0.1 1,-0.3 -1,-0.1 0.125 80.1 -71.3-138.6 -52.5 -32.5 90.0 8.4 134 550 A G S S+ 0 0 45 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 -0.445 111.7 6.6-162.9-115.7 -30.4 86.8 7.9 135 551 A K S S+ 0 0 204 1,-0.2 2,-0.2 -2,-0.1 -3,-0.0 0.260 120.6 79.2 -65.7 14.1 -28.1 85.8 5.0 136 552 A Q + 0 0 93 2,-0.0 -1,-0.2 0, 0.0 2,-0.2 -0.600 59.5 154.4-128.9 68.1 -28.9 89.4 3.9 137 553 A K - 0 0 122 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.572 29.5-134.8 -92.5 162.0 -26.7 91.8 5.9 138 554 A Y E -G 131 0C 66 -7,-1.5 2,-0.6 -2,-0.2 -7,-0.6 -0.956 16.0-156.9-135.0 137.4 -25.7 95.3 4.6 139 555 A Y E +G 130 0C 93 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.918 27.3 166.1-106.0 114.2 -22.7 97.7 4.3 140 556 A V E -G 129 0C 4 -11,-1.8 -12,-3.9 -2,-0.6 -11,-1.4 -0.884 26.1-155.9-125.4 155.0 -23.7 101.4 3.9 141 557 A Y + 0 0 63 -2,-0.3 2,-0.3 -14,-0.3 -1,-0.1 0.526 68.9 11.1-116.4 -5.6 -21.6 104.4 4.3 142 558 A N S >> S- 0 0 31 1,-0.1 3,-1.1 -13,-0.0 4,-0.8 -0.964 78.4 -97.7-165.1 164.6 -23.9 107.4 5.2 143 559 A D H >> S+ 0 0 101 1,-0.3 3,-1.4 -2,-0.3 4,-1.2 0.861 116.1 58.1 -58.1 -44.2 -27.4 108.1 6.3 144 560 A R H 3> S+ 0 0 202 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.736 103.1 53.8 -61.3 -30.1 -28.8 109.0 2.9 145 561 A E H <> S+ 0 0 76 -3,-1.1 4,-2.2 2,-0.2 -1,-0.3 0.725 102.2 62.1 -70.5 -26.8 -27.8 105.6 1.5 146 562 A L H < S+ 0 0 86 -4,-1.9 2,-2.4 -5,-0.2 3,-2.0 0.979 99.5 62.7 -63.4 -57.1 -33.9 99.8 3.5 151 567 A S T 3< S+ 0 0 90 -4,-1.7 -1,-0.2 -5,-0.3 -4,-0.0 -0.475 104.2 52.6 -68.1 79.9 -37.0 101.1 1.7 152 568 A E T 3 + 0 0 119 -2,-2.4 2,-0.5 1,-0.1 -1,-0.2 0.236 67.2 137.7 176.5 -23.2 -36.6 98.3 -0.9 153 569 A L X - 0 0 17 -3,-2.0 3,-0.8 -4,-0.2 -1,-0.1 -0.379 42.3-149.3 -75.3 110.6 -36.4 95.0 1.0 154 570 A N T 3 S+ 0 0 156 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.687 89.9 21.1 -48.7 -49.6 -38.4 92.3 -0.8 155 571 A P T 3 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.542 360.0 360.0 -95.9 -6.9 -39.6 90.1 2.1 156 572 A T < 0 0 128 -3,-0.8 -2,-0.1 -6,-0.1 -3,-0.1 0.289 360.0 360.0 38.9 360.0 -39.2 92.7 5.0 157 ! 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 0.0 158 576 A S 0 0 94 0, 0.0 2,-1.2 0, 0.0 -26,-0.5 0.000 360.0 360.0 360.0 119.8 -31.6 94.8 12.4 159 577 A I E +H 131 0C 142 -28,-0.2 2,-0.5 -30,-0.1 -28,-0.2 -0.584 360.0 165.4 -85.9 87.4 -30.5 98.5 12.7 160 578 A A E -H 130 0C 49 -30,-1.4 -30,-2.6 -2,-1.2 2,-0.5 -0.900 25.5-149.5-115.7 116.6 -26.8 98.5 13.9 161 579 A R E -H 129 0C 111 -2,-0.5 2,-0.3 -32,-0.2 -32,-0.2 -0.690 17.6-131.7 -83.6 122.1 -24.5 101.5 13.8 162 580 A Y + 0 0 19 -34,-2.7 3,-0.1 -2,-0.5 -1,-0.0 -0.619 35.3 164.3 -69.4 130.9 -20.7 100.8 13.3 163 581 A K + 0 0 105 -2,-0.3 -70,-1.8 1,-0.3 -69,-0.9 0.657 55.1 32.2-124.5 -31.7 -18.8 102.8 15.9 164 582 A G > - 0 0 18 -72,-0.2 3,-1.1 -71,-0.1 -1,-0.3 -0.946 65.4-132.0-129.8 151.1 -15.2 101.4 16.1 165 583 A L G > S+ 0 0 3 -2,-0.3 3,-2.0 1,-0.2 -1,-0.1 0.757 104.7 69.7 -68.3 -26.9 -12.9 99.8 13.5 166 584 A G G 3 S+ 0 0 54 1,-0.3 -1,-0.2 -3,-0.0 -137,-0.1 0.621 83.2 73.8 -68.5 -7.9 -12.2 97.0 16.0 167 585 A E G < S+ 0 0 106 -3,-1.1 2,-0.3 2,-0.1 -1,-0.3 0.655 89.5 79.7 -71.1 -17.3 -15.8 95.9 15.4 168 586 A M S < S- 0 0 7 -3,-2.0 -136,-0.1 -4,-0.1 2,-0.0 -0.694 77.5-128.6-105.4 144.2 -14.6 94.7 12.0 169 587 A N > - 0 0 99 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.262 33.7-106.8 -72.2 170.5 -12.8 91.6 10.9 170 588 A A H > S+ 0 0 29 2,-0.2 4,-3.7 1,-0.2 5,-0.1 0.992 118.3 48.1 -61.9 -62.3 -9.7 92.0 8.8 171 589 A D H > S+ 0 0 100 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.843 114.3 50.3 -58.8 -29.0 -11.1 90.8 5.5 172 590 A Q H >>S+ 0 0 47 2,-0.2 4,-2.9 1,-0.2 5,-0.5 0.936 110.7 47.8 -69.9 -44.9 -14.1 93.2 6.1 173 591 A L H X>S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-1.1 0.945 115.3 47.9 -56.8 -45.3 -11.7 96.0 6.9 174 592 A W H X>S+ 0 0 49 -4,-3.7 4,-2.0 3,-0.2 5,-1.9 0.986 116.0 40.9 -54.7 -69.9 -9.8 95.1 3.7 175 593 A E H <5S+ 0 0 74 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.782 126.7 31.4 -52.2 -43.1 -12.9 94.8 1.4 176 594 A T H <5S+ 0 0 4 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.877 131.5 21.1 -84.2 -40.7 -14.8 97.9 2.8 177 595 A T H << - 0 0 8 -5,-1.9 4,-2.9 -6,-0.3 5,-0.1 -0.537 63.3-139.5 -74.5 111.9 -9.1 97.8 -1.1 180 598 A P T 4 S+ 0 0 70 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.758 100.1 54.2 -40.8 -30.4 -8.2 100.2 -3.9 181 599 A E T 4 S+ 0 0 160 1,-0.1 -6,-0.0 2,-0.1 3,-0.0 1.000 125.3 10.9 -70.5 -76.4 -11.2 98.6 -5.7 182 600 A H T 4 S+ 0 0 120 -7,-0.1 -1,-0.1 1,-0.1 -6,-0.1 0.833 108.3 92.5 -70.3 -32.0 -14.2 98.8 -3.4 183 601 A R < - 0 0 21 -4,-2.9 -1,-0.1 -9,-0.1 -2,-0.1 0.750 55.6-167.5 -41.4 -84.0 -12.7 101.2 -0.9 184 602 A A - 0 0 71 -4,-0.2 -59,-0.2 -5,-0.1 -3,-0.1 0.895 11.5-175.7 83.5 90.6 -13.4 105.0 -1.6 185 603 A L - 0 0 40 -61,-0.1 2,-0.3 -7,-0.1 -61,-0.2 0.282 18.3-113.0 -92.6-145.4 -11.3 107.4 0.5 186 604 A L E -F 123 0B 73 -63,-0.5 -63,-1.5 2,-0.0 2,-0.3 -0.918 9.9-137.3-160.5 129.6 -11.1 111.2 0.9 187 605 A Q E -F 122 0B 91 -2,-0.3 2,-0.2 -65,-0.2 -65,-0.2 -0.734 26.2-132.0 -87.8 142.4 -8.7 114.0 0.1 188 606 A V + 0 0 12 -67,-1.7 -67,-0.1 -2,-0.3 3,-0.1 -0.648 37.1 153.1 -94.8 150.9 -8.1 116.8 2.7 189 607 A K + 0 0 145 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.500 52.2 59.5-148.4 -17.3 -8.1 120.6 2.0 190 608 A L S S- 0 0 142 1,-0.1 -1,-0.2 -74,-0.0 -81,-0.1 -0.863 70.9-100.1-131.8 163.7 -9.2 122.6 5.2 191 609 A E 0 0 119 -2,-0.3 -1,-0.1 1,-0.1 -85,-0.1 -0.079 360.0 360.0 -79.0 164.0 -8.1 123.2 8.8 192 610 A D 0 0 83 -90,-0.1 -1,-0.1 -89,-0.0 -90,-0.0 -0.473 360.0 360.0-104.7 360.0 -9.2 122.1 12.3 193 ! 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 0.0 194 1027 A M 0 0 201 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 3.2 -19.9 116.9 20.4 195 1028 A S > + 0 0 71 3,-0.1 4,-3.1 5,-0.0 5,-0.1 0.701 360.0 33.9-133.8 -63.0 -22.9 114.7 21.0 196 1029 A V H > S+ 0 0 71 2,-0.2 4,-3.4 1,-0.2 -102,-0.0 0.836 111.2 66.0 -76.2 -35.0 -22.4 111.6 23.1 197 1030 A I H 4 S+ 0 0 91 2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.919 114.1 32.6 -44.8 -47.3 -19.8 113.6 25.1 198 1031 A V H >> S+ 0 0 39 3,-0.1 3,-2.6 2,-0.1 4,-1.7 0.958 115.9 55.2 -74.8 -57.8 -22.8 115.7 26.2 199 1032 A A H 3< S+ 0 0 45 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.904 113.7 44.3 -40.2 -52.2 -25.5 112.9 26.2 200 1033 A R T 3< S+ 0 0 112 -4,-3.4 -1,-0.3 1,-0.1 12,-0.1 -0.017 118.2 44.4 -84.6 29.3 -23.3 110.9 28.6 201 1034 A A T <4 S+ 0 0 34 -3,-2.6 -2,-0.2 1,-0.2 -1,-0.1 0.643 91.7 68.2-137.6 -52.1 -22.4 113.9 30.8 202 1035 A L S < S- 0 0 14 -4,-1.7 -1,-0.2 1,-0.1 300,-0.1 -0.377 79.0-114.4 -73.5 150.2 -25.3 116.2 31.8 203 1036 A P - 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0 0 19 -2,-1.7 3,-1.4 68,-0.2 71,-0.1 -0.255 50.4-106.4 -83.3 165.5 -33.3 96.0 47.9 227 1060 A P T 3 S+ 0 0 20 0, 0.0 70,-0.1 0, 0.0 -1,-0.1 0.708 117.3 54.6 -59.3 -21.8 -32.7 97.6 51.3 228 1061 A D T 3 S+ 0 0 126 2,-0.1 2,-0.3 69,-0.0 -3,-0.0 0.346 98.4 69.9-100.8 0.4 -34.4 94.8 53.1 229 1062 A K S < S- 0 0 99 -3,-1.4 -5,-0.0 1,-0.1 0, 0.0 -0.893 97.5 -84.7-112.6 154.6 -32.3 92.0 51.6 230 1063 A S - 0 0 73 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.004 49.8 -87.6 -53.4 157.2 -28.6 91.6 52.6 231 1064 A Y - 0 0 48 63,-0.1 2,-0.3 -4,-0.1 63,-0.2 -0.118 37.1-153.5 -53.0 154.0 -25.6 93.4 51.0 232 1065 A K E -K 293 0E 66 61,-1.4 61,-2.5 -7,-0.1 5,-0.1 -0.968 32.8 -91.7-131.9 148.6 -24.0 92.0 47.9 233 1066 A K E >> -K 292 0E 83 -2,-0.3 3,-2.2 59,-0.2 4,-0.6 -0.290 35.0-121.9 -61.1 144.6 -20.4 92.6 47.0 234 1067 A S H >> S+ 0 0 0 57,-2.3 4,-2.5 54,-0.6 3,-2.2 0.875 108.6 71.7 -61.7 -33.8 -20.0 95.6 44.8 235 1068 A A H 3> S+ 0 0 33 53,-1.5 4,-2.3 56,-0.3 5,-0.3 0.811 92.8 60.9 -48.2 -29.1 -18.4 93.5 42.1 236 1069 A R H <> S+ 0 0 144 -3,-2.2 4,-0.9 52,-0.2 -1,-0.3 0.825 109.8 37.7 -70.3 -32.0 -21.9 92.0 41.6 237 1070 A I H S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 4,-2.3 0.895 113.0 56.3 -57.6 -44.9 -23.9 97.2 34.8 242 1075 A M H <5S+ 0 0 56 -4,-3.4 -1,-0.2 -5,-0.3 -2,-0.2 0.923 115.3 35.6 -56.6 -42.6 -20.7 96.8 32.9 243 1076 A G H <5S+ 0 0 43 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.769 125.2 37.7 -88.7 -25.3 -22.0 94.0 30.7 244 1077 A K H <5S- 0 0 61 -4,-2.2 74,-0.3 -5,-0.3 73,-0.2 0.846 135.9 -3.9 -93.6 -34.4 -25.6 95.1 30.3 245 1078 A Y T <5S+ 0 0 6 -4,-2.3 -3,-0.2 -5,-0.2 72,-0.1 0.536 124.6 46.5-137.1 -22.8 -25.6 98.8 30.0 246 1079 A H < - 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0 0 9 -3,-1.8 4,-2.5 -4,-0.2 3,-1.0 -0.815 60.2-149.9 -97.1 122.9 -20.7 108.6 50.6 263 1096 A D T 34 S+ 0 0 117 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.798 101.5 45.5 -50.1 -39.9 -22.5 110.5 53.5 264 1097 A F T 34 S+ 0 0 28 1,-0.1 121,-0.4 121,-0.1 168,-0.3 0.519 114.4 45.1 -86.3 -18.8 -20.3 113.5 52.6 265 1098 A S T <4 S+ 0 0 20 -3,-1.0 2,-0.5 -6,-0.2 -2,-0.2 0.819 113.0 47.7 -89.9 -38.7 -20.7 113.5 48.8 266 1099 A Y < - 0 0 30 -4,-2.5 -1,-0.2 -7,-0.2 71,-0.1 -0.913 61.6-155.2-112.0 123.4 -24.5 112.9 48.6 267 1100 A R S S+ 0 0 2 -2,-0.5 86,-0.1 1,-0.3 -1,-0.1 0.681 104.2 21.4 -65.7 -17.6 -27.1 114.9 50.6 268 1101 A Y S S- 0 0 14 65,-0.1 -1,-0.3 69,-0.0 69,-0.1 -0.556 98.2-137.1-149.9 73.3 -29.4 111.9 50.2 269 1102 A P - 0 0 41 0, 0.0 30,-0.2 0, 0.0 -8,-0.2 0.048 12.2-161.6 -48.3 134.7 -27.2 108.9 49.5 270 1103 A L S S+ 0 0 0 -10,-1.0 26,-1.0 -13,-0.1 2,-0.4 0.594 74.2 46.6 -93.4 -18.8 -28.4 106.5 46.8 271 1104 A V E -L 295 0E 2 -11,-2.8 2,-0.6 24,-0.2 24,-0.2 -0.943 69.3-147.6-127.6 148.3 -26.4 103.5 47.6 272 1105 A D E -L 294 0E 49 22,-3.4 22,-1.9 -2,-0.4 2,-0.2 -0.982 27.3-174.6-119.7 111.2 -25.9 102.0 51.0 273 1106 A G E -L 293 0E 22 -2,-0.6 2,-0.4 -12,-0.4 20,-0.3 -0.684 16.2-152.0-110.3 157.8 -22.4 100.5 51.1 274 1107 A Q E +L 292 0E 98 18,-2.5 18,-2.6 -2,-0.2 2,-0.3 -1.000 62.5 25.3-132.6 136.6 -20.6 98.5 53.8 275 1108 A G S S- 0 0 63 -2,-0.4 2,-0.8 16,-0.2 16,-0.1 -0.849 110.9 -15.4 112.0-156.4 -16.9 98.5 54.2 276 1109 A N + 0 0 87 -2,-0.3 10,-2.7 1,-0.1 15,-0.1 -0.780 52.5 167.7 -96.2 111.7 -14.4 101.1 53.2 277 1110 A F B -M 285 0F 21 -2,-0.8 8,-0.4 1,-0.4 -1,-0.1 -0.127 50.7-107.5-110.9 35.4 -15.8 103.7 50.8 278 1111 A G - 0 0 17 6,-0.6 -1,-0.4 4,-0.0 2,-0.2 -0.113 36.9-106.2 75.2-173.5 -13.0 106.3 51.0 279 1112 A S > - 0 0 35 4,-1.3 3,-0.9 -3,-0.1 6,-0.1 -0.793 27.8 -90.1-145.6-179.2 -13.0 109.6 52.7 280 1113 A M T 3 S+ 0 0 53 1,-0.3 155,-0.7 -2,-0.2 156,-0.1 0.789 121.3 63.0 -69.6 -33.3 -13.1 113.5 52.5 281 1114 A D T 3 S- 0 0 47 153,-0.2 -1,-0.3 154,-0.2 153,-0.1 0.522 126.2-106.3 -69.8 -5.2 -9.3 113.4 52.3 282 1115 A G < + 0 0 51 -3,-0.9 -2,-0.1 1,-0.3 2,-0.1 0.700 61.4 161.9 87.6 21.0 -9.9 111.5 49.1 283 1116 A D - 0 0 97 1,-0.1 -4,-1.3 -6,-0.0 -1,-0.3 -0.463 39.9-115.1 -61.3 144.0 -8.9 108.0 50.2 284 1117 A G - 0 0 56 -6,-0.2 -6,-0.6 -2,-0.1 -1,-0.1 -0.449 23.2-101.5 -83.6 159.1 -10.3 105.5 47.8 285 1118 A A B -M 277 0F 30 -8,-0.4 -8,-0.3 -2,-0.1 3,-0.1 -0.364 46.1-103.6 -65.8 154.3 -12.8 102.8 48.4 286 1119 A A - 0 0 35 -10,-2.7 5,-0.2 1,-0.2 -1,-0.1 -0.289 60.8 -54.0 -74.0 168.1 -11.5 99.3 48.9 287 1120 A A >> - 0 0 33 1,-0.1 4,-2.2 3,-0.1 3,-2.1 -0.067 48.0-124.0 -39.3 136.9 -11.6 96.7 46.1 288 1121 A M T 34 S+ 0 0 52 1,-0.3 -53,-1.5 2,-0.2 -54,-0.6 0.816 111.5 62.4 -59.6 -31.4 -15.1 96.1 44.7 289 1122 A R T 34 S+ 0 0 150 -55,-0.2 -1,-0.3 1,-0.2 -56,-0.1 0.550 112.5 39.4 -69.3 -3.0 -14.8 92.4 45.5 290 1123 A Y T <4 S+ 0 0 145 -3,-2.1 -2,-0.2 -14,-0.1 -1,-0.2 0.751 101.2 71.7-113.7 -49.0 -14.5 93.5 49.2 291 1124 A T < - 0 0 1 -4,-2.2 -57,-2.3 -5,-0.2 -56,-0.3 -0.377 69.8-148.1 -70.9 155.5 -17.0 96.3 49.7 292 1125 A E E +KL 233 274E 39 -18,-2.6 -18,-2.5 -59,-0.3 2,-0.3 -0.828 17.0 179.8-120.5 162.9 -20.7 95.5 49.8 293 1126 A A E +KL 232 273E 0 -61,-2.5 -61,-1.4 -2,-0.3 2,-0.3 -0.998 12.2 165.5-160.3 155.4 -23.7 97.6 48.6 294 1127 A R E - L 0 272E 48 -22,-1.9 -22,-3.4 -2,-0.3 -68,-0.2 -0.964 46.3 -70.0-158.3 164.3 -27.4 97.8 48.2 295 1128 A M E - L 0 271E 0 -70,-1.9 2,-0.2 -2,-0.3 -24,-0.2 -0.144 45.6-125.9 -43.2 146.8 -30.1 100.3 47.5 296 1129 A T > - 0 0 33 -26,-1.0 4,-1.1 1,-0.1 3,-0.2 -0.610 26.3-109.9 -88.3 160.6 -31.0 102.9 50.2 297 1130 A K H >> S+ 0 0 145 1,-0.2 3,-1.5 -2,-0.2 4,-0.7 0.987 120.5 55.6 -53.0 -49.6 -34.6 103.1 51.4 298 1131 A I H >> S+ 0 0 9 1,-0.3 3,-1.4 2,-0.2 4,-0.6 0.827 99.5 59.7 -54.3 -36.1 -34.8 106.6 49.6 299 1132 A T H >> S+ 0 0 0 1,-0.3 3,-1.0 -30,-0.2 4,-1.0 0.816 90.0 68.1 -64.4 -31.9 -33.7 105.1 46.3 300 1133 A L H < S+ 0 0 8 -4,-1.0 3,-2.3 -3,-0.4 -2,-0.2 0.460 82.1 131.9-119.6 -9.6 -37.6 103.6 41.3 304 1137 A R T 3< S+ 0 0 68 -4,-1.1 26,-0.1 1,-0.3 -3,-0.0 -0.239 83.1 6.8 -48.7 132.6 -41.2 103.2 42.6 305 1138 A D T > S+ 0 0 20 1,-0.1 3,-2.1 23,-0.1 5,-0.4 0.488 81.7 136.7 75.2 5.8 -43.5 102.2 39.8 306 1139 A I T < S+ 0 0 4 -3,-2.3 5,-0.3 1,-0.3 4,-0.2 0.720 75.1 49.8 -59.2 -14.7 -40.8 101.8 37.2 307 1140 A N T 3 S+ 0 0 101 1,-0.2 -1,-0.3 -4,-0.2 2,-0.1 0.451 88.4 80.1-103.9 -0.3 -42.6 98.6 36.1 308 1141 A K S < S- 0 0 61 -3,-2.1 226,-0.3 1,-0.0 -1,-0.2 -0.264 115.5 -98.0-100.3 42.0 -46.0 100.1 35.7 309 1142 A D S S+ 0 0 59 -3,-0.2 -2,-0.1 -2,-0.1 -3,-0.1 0.875 83.0 132.9 41.5 56.8 -45.2 101.6 32.3 310 1143 A T + 0 0 2 -5,-0.4 2,-0.3 -4,-0.2 220,-0.2 0.691 65.2 36.3-107.7 -23.7 -44.4 105.1 33.6 311 1144 A I S S- 0 0 4 -5,-0.3 2,-0.4 219,-0.1 -1,-0.2 -0.930 88.6-108.3-122.2 153.0 -41.2 105.8 31.8 312 1145 A D - 0 0 96 -2,-0.3 13,-2.0 -3,-0.1 14,-0.3 -0.675 30.1-146.3 -77.6 131.6 -40.1 104.7 28.3 313 1146 A F E -N 324 0G 50 -2,-0.4 2,-0.3 11,-0.2 9,-0.0 -0.672 15.4-163.3 -89.1 154.5 -37.5 102.0 28.1 314 1147 A I E -N 323 0G 78 9,-3.1 9,-3.0 -2,-0.3 2,-0.1 -0.866 30.1 -82.6-130.5 164.5 -34.9 102.0 25.3 315 1148 A D E -N 322 0G 99 -2,-0.3 7,-0.2 7,-0.2 2,-0.1 -0.353 43.8-125.9 -60.5 143.1 -32.5 99.4 23.8 316 1149 A N > - 0 0 7 5,-1.6 3,-1.3 1,-0.1 -71,-0.1 -0.255 49.1 -73.2 -76.2-176.4 -29.2 99.0 25.7 317 1150 A Y T 3 S+ 0 0 114 1,-0.3 -72,-0.1 -73,-0.2 -1,-0.1 0.527 132.9 30.4 -63.6 -13.2 -26.0 99.4 23.7 318 1151 A D T 3 S- 0 0 76 -74,-0.3 -1,-0.3 3,-0.0 -73,-0.1 0.337 107.5-113.8-125.0 4.3 -26.2 96.1 21.8 319 1152 A G S < S+ 0 0 40 -3,-1.3 -2,-0.1 2,-0.1 -4,-0.0 0.508 90.9 105.9 79.4 6.1 -30.0 95.7 21.7 320 1153 A N S S+ 0 0 121 -76,-0.1 2,-0.3 -5,-0.0 -3,-0.1 0.462 79.1 37.0 -95.0 -2.1 -30.0 92.7 23.9 321 1154 A E S S- 0 0 76 -77,-0.1 -5,-1.6 -5,-0.1 2,-0.4 -0.842 71.6-128.5-136.1 175.7 -31.4 94.5 27.0 322 1155 A R E -N 315 0G 129 -2,-0.3 -7,-0.2 -7,-0.2 -9,-0.0 -0.996 24.5-178.0-127.6 137.5 -33.8 97.2 27.9 323 1156 A E E -N 314 0G 9 -9,-3.0 -9,-3.1 -2,-0.4 2,-0.3 -0.978 32.7 -99.8-133.9 152.2 -33.0 100.2 30.1 324 1157 A P E -N 313 0G 2 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.456 14.0-156.4 -64.2 122.0 -34.9 103.2 31.5 325 1158 A S S S- 0 0 34 -13,-2.0 2,-0.3 -2,-0.3 -12,-0.1 0.700 87.4 -3.3 -63.9 -21.7 -34.3 106.4 29.6 326 1159 A V S S- 0 0 2 -14,-0.3 -1,-0.2 -120,-0.1 -15,-0.1 -0.955 74.9-116.5-156.7 169.8 -35.4 107.9 33.0 327 1160 A L - 0 0 0 -2,-0.3 -24,-0.1 -3,-0.1 -118,-0.1 -0.797 27.6-119.4-108.6 154.1 -36.5 106.9 36.4 328 1161 A P - 0 0 0 0, 0.0 -25,-0.2 0, 0.0 199,-0.1 0.875 43.1-169.9 -59.6 -33.4 -39.9 107.8 37.8 329 1162 A A - 0 0 0 -27,-2.3 -27,-0.3 1,-0.2 4,-0.1 0.925 10.7-163.3 42.9 79.0 -38.0 109.5 40.6 330 1163 A R S S+ 0 0 1 -29,-2.1 -1,-0.2 2,-0.1 -28,-0.1 0.192 72.1 52.5 -85.6 16.5 -40.7 110.3 43.0 331 1164 A F S S- 0 0 0 310,-0.1 2,-2.4 -30,-0.1 5,-0.1 -0.968 104.2 -94.5-140.9 144.5 -38.6 112.9 44.9 332 1165 A P > + 0 0 9 0, 0.0 4,-2.9 0, 0.0 -125,-0.1 -0.220 55.0 164.7 -62.3 75.5 -36.8 116.0 43.2 333 1166 A N H >> + 0 0 4 -2,-2.4 4,-1.6 2,-0.2 5,-0.7 0.904 63.5 60.0 -62.4 -49.2 -33.4 114.3 42.9 334 1167 A L H >5S+ 0 0 7 1,-0.2 4,-1.2 -129,-0.2 -1,-0.2 0.957 120.1 30.0 -42.4 -61.9 -31.7 116.6 40.4 335 1168 A L H 45S+ 0 0 6 -130,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.825 119.1 57.2 -68.1 -33.4 -32.0 119.4 42.9 336 1169 A A H <5S+ 0 0 0 -4,-2.9 15,-2.2 14,-0.2 -3,-0.2 0.994 125.7 16.0 -66.2 -66.7 -31.9 117.3 46.0 337 1170 A N H <5S- 0 0 12 -4,-1.6 -1,-0.2 13,-0.2 -2,-0.2 0.446 103.1-150.1 -83.2 -2.1 -28.5 115.6 45.5 338 1171 A G << - 0 0 8 -4,-1.2 2,-0.3 -5,-0.7 -1,-0.2 -0.063 9.7-103.9 64.9-170.3 -27.4 118.1 42.8 339 1172 A A B +O 348 0H 16 9,-2.0 9,-3.4 -4,-0.1 -1,-0.1 -0.936 47.3 140.1-154.5 136.6 -25.0 117.3 39.9 340 1173 A S + 0 0 43 -2,-0.3 6,-0.4 7,-0.2 2,-0.3 0.156 11.3 151.1-132.6-101.4 -21.4 118.1 39.3 341 1174 A G - 0 0 48 4,-0.1 2,-0.4 -139,-0.0 -139,-0.0 -0.717 58.2 -47.7 97.9-148.6 -18.7 115.9 37.8 342 1175 A I 0 0 181 -2,-0.3 -2,-0.0 -141,-0.1 -1,-0.0 -0.961 360.0 360.0-133.5 113.5 -15.5 116.8 35.8 343 1176 A A 0 0 111 -2,-0.4 3,-0.1 3,-0.1 -142,-0.0 -0.771 360.0 360.0 141.0 360.0 -15.7 119.4 32.9 344 ! 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 0.0 345 1180 A A 0 0 69 0, 0.0 2,-0.4 0, 0.0 156,-0.1 0.000 360.0 360.0 360.0 36.2 -19.8 121.5 32.2 346 1181 A T + 0 0 9 -6,-0.4 2,-0.2 -3,-0.1 154,-0.2 -0.939 360.0 174.7-123.7 152.4 -22.5 121.3 34.8 347 1182 A N B +P 499 0I 38 152,-1.8 152,-3.5 -2,-0.4 -7,-0.2 -0.746 8.7 159.0-156.8 104.7 -22.7 122.4 38.4 348 1183 A I B -O 339 0H 3 -9,-3.4 -9,-2.0 -2,-0.2 150,-0.1 -0.994 30.1-136.2-129.3 126.3 -25.8 122.2 40.7 349 1184 A P - 0 0 1 0, 0.0 -11,-0.3 0, 0.0 34,-0.1 -0.410 26.8 -99.0 -87.2 158.2 -25.6 122.2 44.5 350 1185 A P - 0 0 2 0, 0.0 32,-2.3 0, 0.0 2,-0.3 -0.209 38.3-164.7 -71.9 166.0 -27.6 119.9 46.8 351 1186 A H - 0 0 0 -15,-2.2 2,-0.3 30,-0.3 -13,-0.0 -0.965 29.4 -80.3-150.7 160.1 -30.8 121.1 48.7 352 1187 A N > - 0 0 5 28,-0.4 4,-3.0 -2,-0.3 5,-0.2 -0.445 27.7-144.2 -69.8 123.0 -33.1 120.1 51.5 353 1188 A L H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.935 102.6 50.5 -50.9 -45.9 -35.6 117.4 50.6 354 1189 A T H > S+ 0 0 37 293,-0.3 4,-2.5 2,-0.2 5,-0.2 0.933 113.3 44.8 -55.4 -47.6 -38.2 119.1 52.9 355 1190 A E H > S+ 0 0 13 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.976 113.7 49.2 -63.8 -56.5 -37.6 122.5 51.3 356 1191 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.928 110.8 49.3 -47.2 -60.2 -37.7 121.2 47.8 357 1192 A I H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 -1,-0.2 0.916 114.3 44.5 -52.7 -47.7 -40.9 119.2 48.3 358 1193 A N H X S+ 0 0 40 -4,-2.5 4,-3.1 -5,-0.3 5,-0.3 0.953 111.2 55.3 -57.5 -45.3 -42.7 122.2 49.8 359 1194 A G H X S+ 0 0 0 -4,-3.4 4,-0.9 1,-0.2 -2,-0.2 0.841 111.1 45.0 -57.0 -36.2 -41.2 124.3 47.0 360 1195 A V H >X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 3,-0.5 0.930 111.5 51.4 -68.8 -47.2 -42.8 121.8 44.6 361 1196 A L H 3< S+ 0 0 18 -4,-3.0 4,-0.3 1,-0.3 -2,-0.2 0.847 105.9 55.3 -63.6 -35.1 -46.1 121.8 46.4 362 1197 A S H 3X S+ 0 0 32 -4,-3.1 4,-0.7 -5,-0.2 3,-0.3 0.815 111.2 44.7 -69.3 -30.8 -46.3 125.6 46.4 363 1198 A L H X< S+ 0 0 13 -4,-0.9 3,-1.2 -3,-0.5 -2,-0.2 0.926 104.8 61.2 -69.7 -49.5 -45.9 125.5 42.6 364 1199 A S T 3< S+ 0 0 13 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.588 108.4 47.0 -57.1 -5.2 -48.4 122.7 42.2 365 1200 A K T 34 S+ 0 0 146 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.2 0.654 125.7 22.2-106.8 -25.6 -50.9 125.2 43.8 366 1201 A N X< - 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0 0 0 -11,-2.8 -11,-0.2 -2,-0.7 2,-0.2 -0.709 16.1-138.0 -99.2 153.4 -32.5 126.1 33.6 512 1347 A N > - 0 0 41 -2,-0.3 4,-2.5 -112,-0.1 -112,-0.2 -0.500 42.0 -88.7 -91.6 175.9 -33.3 128.5 36.5 513 1348 A L H > S+ 0 0 1 -114,-2.4 4,-1.7 1,-0.2 3,-0.4 0.950 126.1 43.4 -49.9 -68.0 -34.7 127.3 39.9 514 1349 A K H > S+ 0 0 50 -115,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.855 112.6 53.4 -45.7 -43.0 -38.4 127.5 39.0 515 1350 A E H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 107.0 52.3 -67.7 -40.2 -37.8 126.0 35.6 516 1351 A A H X S+ 0 0 3 -4,-2.5 4,-0.9 -3,-0.4 -1,-0.2 0.873 112.5 45.0 -54.9 -42.3 -36.1 123.0 37.2 517 1352 A L H X S+ 0 0 4 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.830 109.9 54.7 -74.6 -35.7 -39.0 122.5 39.5 518 1353 A V H X S+ 0 0 53 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.907 106.9 50.4 -63.3 -44.1 -41.6 122.9 36.8 519 1354 A H H X S+ 0 0 49 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.743 111.5 49.6 -69.5 -25.7 -40.1 120.2 34.7 520 1355 A Y H >X S+ 0 0 7 -4,-0.9 4,-1.6 2,-0.2 3,-0.6 0.925 108.7 49.1 -74.2 -55.3 -40.0 117.8 37.6 521 1356 A L H 3X S+ 0 0 9 -4,-2.3 4,-2.1 1,-0.3 -2,-0.2 0.794 109.4 54.3 -57.7 -29.3 -43.6 118.2 38.7 522 1357 A E H 3X S+ 0 0 89 -4,-1.5 4,-2.1 2,-0.2 -1,-0.3 0.797 106.9 51.7 -75.6 -31.0 -44.7 117.7 35.0 523 1358 A H H X S+ 0 0 34 -4,-1.1 4,-1.7 -5,-0.2 3,-0.8 0.959 111.2 49.0 -74.5 -53.0 -60.0 86.7 32.2 546 1381 A L H 3X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.3 5,-0.2 0.835 104.6 60.3 -50.9 -39.2 -62.0 86.3 35.5 547 1382 A E H 3X S+ 0 0 63 -4,-2.8 4,-1.7 1,-0.2 -1,-0.3 0.929 109.6 45.8 -50.2 -45.3 -65.2 86.8 33.4 548 1383 A G H < S+ 0 0 26 -4,-4.3 3,-1.8 1,-0.2 4,-0.2 0.924 108.1 56.7 -69.8 -45.2 -66.2 77.0 36.5 554 1389 A D H 3< S+ 0 0 89 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.769 122.1 31.0 -54.7 -26.4 -70.0 77.3 36.7 555 1390 A H T >X S+ 0 0 86 -4,-1.2 4,-2.4 -5,-0.4 3,-0.7 0.062 74.7 138.6-122.8 23.7 -70.2 74.9 33.9 556 1391 A I H <> S+ 0 0 30 -3,-1.8 4,-2.9 1,-0.2 5,-0.5 0.834 70.3 61.2 -37.2 -48.5 -67.1 72.8 34.4 557 1392 A D H 3> S+ 0 0 126 1,-0.3 4,-1.9 -4,-0.2 -1,-0.2 0.919 112.8 36.6 -42.5 -62.5 -69.1 69.6 33.5 558 1393 A E H <> S+ 0 0 114 -3,-0.7 4,-2.6 2,-0.2 5,-0.3 0.836 115.5 56.3 -55.4 -43.1 -69.7 70.9 30.1 559 1394 A I H X S+ 0 0 6 -4,-2.4 4,-2.2 -7,-0.3 5,-0.2 0.988 111.0 41.7 -59.0 -61.8 -66.2 72.5 29.9 560 1395 A I H X S+ 0 0 57 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.873 113.3 59.3 -46.7 -42.6 -64.4 69.3 30.6 561 1396 A S H X S+ 0 0 68 -4,-1.9 4,-1.7 -5,-0.5 -1,-0.2 0.947 106.6 40.7 -59.6 -56.5 -66.8 67.6 28.2 562 1397 A T H X S+ 0 0 4 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.927 116.5 52.3 -61.9 -41.8 -66.2 69.6 25.1 563 1398 A I H < S+ 0 0 55 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.888 106.3 53.2 -57.7 -42.4 -62.5 69.5 25.8 564 1399 A R H < S+ 0 0 196 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 112.7 43.1 -65.6 -39.4 -62.4 65.7 26.2 565 1400 A E H < S+ 0 0 131 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.2 0.719 92.2 102.1 -72.5 -27.7 -64.1 65.1 22.8 566 1401 A S < - 0 0 17 -4,-1.5 6,-0.1 -5,-0.2 7,-0.0 -0.453 64.3-148.7 -74.9 127.6 -61.9 67.7 21.0 567 1402 A D S S+ 0 0 153 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.837 72.7 16.3 -68.0 -39.7 -59.2 66.2 19.0 568 1403 A T S > S- 0 0 72 1,-0.0 4,-2.5 0, 0.0 5,-0.1 -0.825 81.7-104.6-132.0 166.7 -56.5 68.8 19.2 569 1404 A D H > S+ 0 0 129 -2,-0.3 4,-2.4 1,-0.2 22,-0.1 0.780 120.2 57.0 -62.7 -28.7 -55.8 71.9 21.5 570 1405 A K H > S+ 0 0 173 2,-0.2 4,-2.3 1,-0.1 5,-0.2 0.925 107.8 41.8 -69.2 -53.9 -56.9 74.0 18.5 571 1406 A V H > S+ 0 0 52 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.928 112.3 57.4 -64.3 -41.1 -60.4 72.5 18.0 572 1407 A A H X S+ 0 0 3 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.973 107.2 50.5 -44.5 -61.0 -60.7 72.5 21.8 573 1408 A M H >X S+ 0 0 27 -4,-2.4 3,-2.5 1,-0.2 4,-1.6 0.935 114.8 38.2 -42.0 -72.2 -60.1 76.2 21.6 574 1409 A E H 3X S+ 0 0 96 -4,-2.3 4,-1.9 1,-0.3 -1,-0.2 0.863 112.5 59.8 -57.3 -34.4 -62.7 77.0 18.9 575 1410 A S H 3X S+ 0 0 9 -4,-3.6 4,-0.9 1,-0.2 -1,-0.3 0.701 106.2 49.0 -63.5 -20.2 -65.1 74.5 20.5 576 1411 A L H > - 0 0 40 -39,-0.2 4,-2.8 -3,-0.1 3,-0.7 -0.479 36.3 -96.0 -82.0 162.7 -63.1 85.3 23.7 584 1419 A E H 3> S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.872 126.4 48.2 -41.4 -49.5 -59.8 83.9 22.4 585 1420 A K H 3> S+ 0 0 144 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.803 111.1 48.2 -63.5 -36.0 -58.1 84.9 25.7 586 1421 A Q H <> S+ 0 0 20 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.919 110.3 52.7 -75.6 -41.4 -60.7 83.4 27.9 587 1422 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.912 112.5 44.5 -58.6 -46.1 -60.6 80.2 26.0 588 1423 A Q H X S+ 0 0 83 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.903 110.9 53.0 -67.1 -40.7 -56.9 79.9 26.3 589 1424 A A H < S+ 0 0 25 -4,-2.3 4,-0.2 2,-0.2 -2,-0.2 0.895 111.7 48.6 -58.8 -38.3 -56.9 80.9 30.1 590 1425 A I H >< S+ 0 0 6 -4,-2.4 3,-2.5 1,-0.2 -2,-0.2 0.981 109.0 49.7 -65.8 -60.4 -59.5 78.1 30.5 591 1426 A L H 3< S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.754 114.5 48.4 -42.2 -34.5 -57.5 75.5 28.6 592 1427 A D T 3< S+ 0 0 117 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.443 85.3 113.7 -93.4 -2.8 -54.5 76.5 30.8 593 1428 A M < - 0 0 36 -3,-2.5 2,-0.3 -4,-0.2 -3,-0.0 -0.391 65.2-129.5 -66.0 147.9 -56.4 76.3 34.0 594 1429 A R > - 0 0 177 1,-0.1 3,-3.0 -2,-0.0 4,-0.3 -0.822 15.8-117.1-105.1 148.1 -55.2 73.6 36.4 595 1430 A L G > S+ 0 0 142 -2,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.760 110.7 69.8 -53.5 -31.2 -57.4 71.0 38.0 596 1431 A R G > S+ 0 0 195 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.744 85.4 69.2 -59.8 -22.4 -56.5 72.3 41.4 597 1432 A R G < S+ 0 0 58 -3,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.637 86.0 72.4 -68.6 -12.6 -58.4 75.4 40.6 598 1433 A L G < S+ 0 0 65 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.439 71.5 115.6 -81.6 -3.5 -61.6 73.3 40.8 599 1434 A T S X> S- 0 0 88 -3,-1.3 3,-1.2 -4,-0.1 4,-0.8 -0.274 78.1-100.7 -71.5 161.7 -61.6 72.9 44.6 600 1435 A G H >> S+ 0 0 66 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.873 114.2 40.6 -41.8 -66.7 -64.3 74.2 46.8 601 1436 A L H 3> S+ 0 0 151 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.498 102.0 73.5 -75.0 -4.3 -62.9 77.5 48.3 602 1437 A E H <> S+ 0 0 44 -3,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.860 86.5 59.8 -76.6 -41.2 -61.3 78.5 45.0 603 1438 A R H X S+ 0 0 69 -4,-1.9 4,-2.1 1,-0.2 3,-0.5 0.950 108.9 39.5 -44.5 -69.2 -64.0 102.2 39.2 619 1454 A E H 3X S+ 0 0 121 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.711 111.8 59.1 -65.5 -20.9 -61.7 104.4 41.2 620 1455 A L H 3X S+ 0 0 8 -4,-2.0 4,-2.3 2,-0.2 3,-0.4 0.915 107.0 44.8 -72.7 -43.4 -59.0 104.4 38.5 621 1456 A E H < S+ 0 0 30 -4,-1.0 3,-1.8 -3,-0.4 7,-0.4 0.976 115.6 43.7 -74.7 -58.8 -58.7 109.5 38.7 624 1459 A L H 3< S+ 0 0 42 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.790 105.4 66.5 -56.7 -29.2 -58.2 109.7 34.9 625 1460 A A T 3< S+ 0 0 85 -4,-2.9 2,-0.4 -5,-0.2 -1,-0.3 0.707 108.5 35.9 -61.9 -21.7 -61.6 111.4 34.6 626 1461 A D <> - 0 0 75 -3,-1.8 4,-1.3 -4,-0.3 -1,-0.2 -0.961 64.1-156.3-145.3 116.1 -60.5 114.5 36.5 627 1462 A E H > S+ 0 0 107 -2,-0.4 4,-1.3 1,-0.2 -1,-0.1 0.738 92.8 57.0 -69.4 -25.9 -57.0 116.1 36.4 628 1463 A E H > S+ 0 0 105 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.912 105.2 50.7 -68.5 -47.3 -57.3 117.9 39.8 629 1464 A V H > S+ 0 0 64 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.859 111.5 50.7 -56.9 -35.8 -57.9 114.6 41.6 630 1465 A L H X S+ 0 0 3 -4,-1.3 4,-1.4 -7,-0.4 -1,-0.2 0.820 109.5 49.1 -71.4 -32.5 -54.8 113.3 39.8 631 1466 A L H X S+ 0 0 28 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.868 105.7 56.5 -76.3 -36.6 -52.7 116.3 40.9 632 1467 A Q H X S+ 0 0 67 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.881 103.2 56.9 -58.3 -37.2 -53.8 115.9 44.5 633 1468 A L H X S+ 0 0 39 -4,-1.3 4,-2.8 2,-0.2 5,-0.3 0.959 106.0 48.6 -56.3 -50.4 -52.4 112.4 44.2 634 1469 A V H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.839 114.4 46.0 -59.5 -35.7 -49.0 113.8 43.1 635 1470 A R H X S+ 0 0 14 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.894 113.2 49.2 -72.5 -42.3 -49.1 116.2 46.1 636 1471 A D H >X S+ 0 0 81 -4,-3.2 4,-2.2 2,-0.2 3,-0.6 0.988 113.2 45.0 -62.6 -57.1 -50.2 113.5 48.5 637 1472 A E H 3X S+ 0 0 37 -4,-2.8 4,-1.9 1,-0.3 -1,-0.2 0.885 115.0 48.7 -55.4 -42.9 -47.5 111.1 47.5 638 1473 A L H 3X S+ 0 0 2 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.3 0.817 108.1 55.4 -66.6 -30.4 -44.9 113.8 47.5 639 1474 A T H