==== 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/DNA 18-JUN-02 1M1A . COMPND 2 MOLECULE: PALINDROMIC 146 BASE PAIR DNA FRAGMENT; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.K.SUTO,R.S.EDAYATHUMANGALAM,C.L.WHITE,C.MELANDER,J.M.GOTTE . 775 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 557 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 23 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 406 52.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 1 0 2 0 0 1 7 7 1 2 0 0 0 0 0 2 0 0 0 0 0 0 3 1 4 0 0 RESIDUES PER ALPHA HELIX . 0 9 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 0 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 10 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 1 437 A K 0 0 251 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 90.8 63.1 27.9 77.8 2 438 A P - 0 0 133 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.060 360.0-109.8 -60.8 170.0 61.8 26.8 74.4 3 439 A H - 0 0 144 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.918 33.4-172.0-107.7 129.2 59.2 29.0 72.6 4 440 A R - 0 0 217 -2,-0.5 2,-0.3 3,-0.0 0, 0.0 -0.985 18.0-140.5-124.5 129.2 55.7 27.7 72.2 5 441 A Y - 0 0 127 -2,-0.4 3,-0.1 1,-0.1 5,-0.0 -0.626 40.2-101.6 -79.9 142.6 52.9 29.2 70.2 6 442 A R >> - 0 0 190 -2,-0.3 3,-2.1 1,-0.1 4,-0.7 -0.372 45.8 -84.7 -67.8 149.8 49.6 28.9 72.1 7 443 A P T 34 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.306 117.9 19.6 -56.1 120.7 47.1 26.2 71.0 8 444 A G T 3> S+ 0 0 19 -3,-0.1 4,-2.6 114,-0.1 5,-0.2 -0.031 99.7 91.9 108.6 -29.2 45.1 27.7 68.2 9 445 A T H <> S+ 0 0 56 -3,-2.1 4,-1.0 1,-0.2 5,-0.1 0.883 90.9 43.8 -67.4 -39.0 47.5 30.4 67.1 10 446 A V H X S+ 0 0 54 -4,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.835 111.1 58.8 -72.9 -31.5 49.2 28.2 64.6 11 447 A A H > S+ 0 0 7 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.932 104.4 47.4 -62.0 -49.8 45.8 27.0 63.5 12 448 A L H X S+ 0 0 6 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.828 109.9 56.9 -62.5 -26.7 44.6 30.5 62.6 13 449 A R H X S+ 0 0 106 -4,-1.0 4,-2.1 1,-0.2 -2,-0.2 0.921 103.9 49.4 -69.6 -44.2 47.9 30.9 60.8 14 450 A E H X S+ 0 0 52 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.848 108.9 57.5 -62.9 -31.7 47.3 28.0 58.6 15 451 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.962 109.1 39.9 -63.5 -56.8 43.8 29.4 57.9 16 452 A R H X S+ 0 0 118 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.894 116.7 55.1 -59.2 -38.0 44.9 32.8 56.5 17 453 A R H >X S+ 0 0 144 -4,-2.1 3,-1.3 -5,-0.2 4,-1.1 0.986 113.4 36.8 -57.3 -64.0 47.7 30.9 54.7 18 454 A Y H 3< S+ 0 0 18 -4,-3.0 -1,-0.2 1,-0.3 650,-0.2 0.685 111.5 59.1 -67.3 -20.4 45.5 28.4 52.9 19 455 A Q H 3< S+ 0 0 7 -4,-2.1 649,-0.4 -5,-0.2 -1,-0.3 0.672 104.6 53.8 -82.8 -11.6 42.7 30.9 52.2 20 456 A K H << S+ 0 0 149 -3,-1.3 -2,-0.2 -4,-0.8 -1,-0.2 0.820 105.4 60.6 -85.9 -35.2 45.2 33.0 50.3 21 457 A S < - 0 0 27 -4,-1.1 647,-0.4 -5,-0.1 645,-0.1 -0.438 58.2-159.1 -91.7 170.9 46.4 30.3 48.0 22 458 A T + 0 0 31 -2,-0.1 645,-0.3 645,-0.1 643,-0.1 0.300 49.6 123.7-130.7 3.9 44.6 28.2 45.4 23 459 A E - 0 0 84 1,-0.1 -2,-0.1 643,-0.1 643,-0.0 -0.370 70.0 -96.6 -69.5 147.3 47.0 25.2 45.1 24 460 A L - 0 0 25 1,-0.1 -1,-0.1 -2,-0.1 4,-0.1 -0.133 26.4-155.5 -57.2 163.5 45.5 21.7 45.7 25 461 A L + 0 0 5 -3,-0.1 2,-0.4 2,-0.1 89,-0.2 0.437 67.3 80.5-125.1 -5.2 46.0 20.2 49.2 26 462 A I S S- 0 0 5 88,-0.1 2,-0.2 81,-0.1 81,-0.1 -0.884 93.9-103.0-103.0 135.2 45.8 16.4 48.6 27 463 A R > - 0 0 114 -2,-0.4 4,-1.7 79,-0.2 5,-0.2 -0.436 32.2-131.9 -59.4 128.1 49.0 14.9 47.3 28 464 A K H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.871 98.0 47.0 -50.8 -49.4 48.4 14.3 43.6 29 465 A L H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.968 108.6 51.9 -62.4 -55.3 49.6 10.7 43.3 30 466 A P H > S+ 0 0 8 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.887 112.1 51.1 -47.2 -38.7 47.8 9.3 46.4 31 467 A F H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.915 103.2 57.8 -64.9 -45.1 44.7 10.9 44.8 32 468 A Q H X S+ 0 0 56 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.900 107.4 47.8 -52.7 -44.9 45.5 9.2 41.4 33 469 A R H X S+ 0 0 115 -4,-2.0 4,-3.5 2,-0.2 -1,-0.2 0.944 109.2 52.0 -63.5 -49.2 45.3 5.8 43.0 34 470 A L H X S+ 0 0 4 -4,-1.9 4,-2.5 69,-0.3 -2,-0.2 0.917 113.1 46.0 -53.6 -44.7 42.1 6.5 44.8 35 471 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.955 114.1 46.3 -64.3 -49.1 40.5 7.6 41.6 36 472 A R H X S+ 0 0 103 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.921 112.9 52.1 -57.8 -47.0 41.9 4.6 39.6 37 473 A E H X S+ 0 0 79 -4,-3.5 4,-1.0 -5,-0.2 -2,-0.2 0.961 111.3 45.3 -54.2 -55.6 40.7 2.2 42.3 38 474 A I H >< S+ 0 0 13 -4,-2.5 3,-1.2 1,-0.2 4,-0.3 0.921 111.6 50.4 -55.4 -51.9 37.2 3.6 42.4 39 475 A A H >X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.3 3,-2.2 0.861 102.3 64.3 -55.5 -39.0 36.7 3.6 38.6 40 476 A Q H 3< S+ 0 0 96 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.806 92.8 60.9 -53.1 -38.0 38.0 -0.0 38.5 41 477 A D T << S+ 0 0 133 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.538 113.2 38.8 -69.0 -8.2 34.9 -1.1 40.5 42 478 A F T <4 S- 0 0 78 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.738 135.1 -2.1-108.2 -43.0 32.8 0.2 37.6 43 479 A K S < S- 0 0 34 -4,-2.2 -1,-0.3 3,-0.0 3,-0.2 -0.913 71.7-137.0-153.8 124.9 34.7 -0.8 34.5 44 480 A T S S+ 0 0 85 -2,-0.3 -3,-0.0 1,-0.2 -4,-0.0 -0.427 79.7 34.3 -83.6 163.9 38.1 -2.6 34.4 45 481 A D S S+ 0 0 119 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.955 81.9 162.7 58.4 55.0 41.0 -1.7 32.1 46 482 A L - 0 0 26 -3,-0.2 2,-0.4 -10,-0.1 -1,-0.2 -0.844 26.6-159.6-108.2 144.5 40.4 2.0 32.1 47 483 A R E -a 158 0A 170 110,-2.1 112,-3.2 -2,-0.4 2,-0.4 -0.941 9.3-151.5-118.9 145.3 42.7 4.8 31.2 48 484 A F E -a 159 0A 22 -2,-0.4 112,-0.2 110,-0.3 110,-0.0 -0.914 15.7-122.9-119.5 140.1 42.2 8.4 32.2 49 485 A Q > - 0 0 82 110,-2.8 4,-1.6 -2,-0.4 5,-0.2 -0.335 31.1-117.0 -68.1 161.3 43.3 11.6 30.5 50 486 A S H >> S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.992 116.8 47.2 -63.5 -58.1 45.6 13.8 32.7 51 487 A S H 3> S+ 0 0 41 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.840 104.6 64.4 -51.1 -35.6 43.1 16.7 32.9 52 488 A A H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.956 106.5 40.4 -54.4 -53.0 40.4 14.1 33.7 53 489 A V H <>S+ 0 0 0 -4,-1.6 5,-2.1 2,-0.2 3,-0.7 0.951 112.6 49.3 -68.4 -48.6 29.9 23.5 65.2 76 512 A I H ><5S+ 0 0 39 -4,-2.9 3,-2.0 1,-0.3 -2,-0.2 0.893 105.1 59.3 -58.1 -38.0 29.6 27.2 66.0 77 513 A H H 3<5S+ 0 0 22 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.877 103.5 50.9 -58.4 -38.8 25.9 26.9 66.2 78 514 A A T <<5S- 0 0 21 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.170 125.0-105.2 -83.3 14.9 26.3 24.3 69.0 79 515 A K T < 5S+ 0 0 186 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.745 84.9 115.7 66.6 27.6 28.6 26.8 70.8 80 516 A R < - 0 0 48 -5,-2.1 -1,-0.2 -6,-0.1 3,-0.1 -0.575 55.0-157.7-116.0 176.8 31.8 24.9 70.0 81 517 A V S S+ 0 0 50 -2,-0.2 42,-1.1 -3,-0.1 2,-0.5 0.345 74.2 85.6-132.8 -5.2 34.8 25.6 67.9 82 518 A T E S-b 123 0B 22 -7,-0.1 2,-0.3 40,-0.1 42,-0.2 -0.866 75.7-136.8-100.4 126.7 35.8 22.0 67.2 83 519 A I E -b 124 0B 0 40,-1.3 42,-2.1 -2,-0.5 45,-0.2 -0.647 26.6-170.8 -85.3 141.7 34.1 20.4 64.3 84 520 A M >> - 0 0 52 -2,-0.3 3,-1.6 -13,-0.2 4,-1.5 -0.837 39.4 -95.6-129.1 166.7 32.8 16.9 64.8 85 521 A P H 3> S+ 0 0 20 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.899 122.6 55.4 -48.8 -42.1 31.4 14.0 62.8 86 522 A K H 3> S+ 0 0 81 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.781 102.0 56.9 -64.7 -25.4 27.9 15.1 63.7 87 523 A D H <> S+ 0 0 0 -3,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.864 109.0 46.1 -70.3 -37.6 28.5 18.6 62.3 88 524 A I H X S+ 0 0 1 -4,-1.5 4,-2.8 -3,-0.4 5,-0.3 0.931 113.8 49.9 -66.9 -45.9 29.4 17.1 59.0 89 525 A Q H X S+ 0 0 58 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.930 109.1 49.6 -59.5 -46.2 26.3 14.9 59.3 90 526 A L H X S+ 0 0 15 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.880 112.7 49.7 -62.4 -36.2 24.0 17.8 60.1 91 527 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.936 113.1 43.6 -67.3 -47.0 25.4 19.7 57.1 92 528 A R H X>S+ 0 0 33 -4,-2.8 5,-1.9 2,-0.2 4,-1.6 0.890 112.3 55.2 -68.6 -32.1 25.0 16.9 54.7 93 529 A R H ><5S+ 0 0 79 -4,-2.8 3,-0.6 -5,-0.3 -2,-0.2 0.980 111.0 43.7 -63.1 -51.8 21.5 16.1 56.1 94 530 A I H 3<5S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.762 110.4 55.7 -67.8 -22.2 20.4 19.7 55.5 95 531 A R H 3<5S- 0 0 45 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.797 114.7-112.7 -79.1 -27.1 21.9 19.9 52.0 96 532 A G T <<5S+ 0 0 30 -4,-1.6 -3,-0.2 -3,-0.6 -2,-0.1 0.562 86.8 114.1 107.0 12.8 20.1 16.8 50.8 97 533 A E S S+ 0 0 47 1,-0.2 3,-2.2 -66,-0.0 -69,-0.3 -0.255 112.2 73.4 76.7 -50.0 44.4 4.2 48.9 104 26 B I G > S+ 0 0 26 -2,-2.0 3,-2.3 1,-0.3 -1,-0.2 0.898 90.5 59.5 -58.8 -36.0 41.6 6.2 50.7 105 27 B Q G 3 S+ 0 0 53 1,-0.3 -1,-0.3 3,-0.0 28,-0.0 0.598 87.4 74.6 -66.8 -11.5 44.1 6.1 53.6 106 28 B G G < S+ 0 0 9 -3,-2.2 2,-1.2 -76,-0.2 -1,-0.3 0.554 74.3 87.1 -75.0 -13.1 46.4 7.8 51.3 107 29 B I S < S- 0 0 1 -3,-2.3 -1,-0.1 -4,-0.2 2,-0.1 -0.841 83.8-150.7 -89.9 95.9 44.3 10.9 52.0 108 30 B T > - 0 0 27 -2,-1.2 4,-2.9 1,-0.1 3,-0.3 -0.309 26.0-115.0 -75.7 156.5 46.2 11.9 55.1 109 31 B K H > S+ 0 0 94 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.890 118.7 54.4 -54.7 -40.9 45.2 13.8 58.2 110 32 B P H > S+ 0 0 67 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.904 109.5 45.6 -64.2 -37.8 47.6 16.6 57.1 111 33 B A H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.966 115.8 46.7 -66.4 -49.8 45.8 16.9 53.7 112 34 B I H >X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.3 3,-0.6 0.980 111.1 50.9 -54.6 -58.3 42.4 16.8 55.3 113 35 B R H 3X S+ 0 0 75 -4,-3.1 4,-2.2 1,-0.3 -1,-0.3 0.837 108.7 54.1 -48.7 -35.3 43.4 19.3 58.0 114 36 B R H 3X S+ 0 0 63 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.3 0.929 108.9 46.5 -67.3 -45.6 44.7 21.5 55.2 115 37 B L H S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 -1,-0.2 0.900 107.0 56.0 -56.3 -38.5 39.6 22.1 56.7 117 39 B R H ><5S+ 0 0 11 -4,-2.2 3,-1.9 -5,-0.3 -1,-0.2 0.907 105.7 47.8 -62.3 -44.0 42.0 25.1 57.1 118 40 B R H 3<5S+ 0 0 11 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.808 107.4 59.7 -67.7 -22.9 41.0 26.6 53.8 119 41 B G T 3<5S- 0 0 6 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.435 122.8-110.3 -81.7 1.3 37.4 26.0 55.0 120 42 B G T < 5 + 0 0 3 -3,-1.9 2,-0.3 1,-0.3 553,-0.3 0.687 64.7 153.6 79.1 18.5 38.2 28.2 58.0 121 43 B V < - 0 0 0 -5,-2.5 -1,-0.3 -6,-0.1 3,-0.1 -0.657 21.6-178.2 -82.5 138.2 38.2 25.4 60.6 122 44 B K + 0 0 40 -41,-0.5 2,-0.3 -2,-0.3 -1,-0.1 0.832 65.3 26.9-104.0 -45.1 40.3 26.0 63.7 123 45 B R E -b 82 0B 151 -42,-1.1 -40,-1.3 -112,-0.0 2,-0.4 -0.860 67.4-158.3-117.2 160.8 40.0 22.8 65.8 124 46 B I E -b 83 0B 25 -2,-0.3 -40,-0.1 -42,-0.2 -42,-0.1 -0.913 15.3-130.7-150.1 119.0 39.3 19.3 64.7 125 47 B S > - 0 0 20 -42,-2.1 3,-1.4 -2,-0.4 4,-0.5 -0.294 29.9-119.3 -60.8 142.5 37.9 16.2 66.4 126 48 B G T > S+ 0 0 56 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.797 110.7 55.6 -55.3 -34.0 40.0 13.2 65.9 127 49 B L T >> S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 3,-0.8 0.720 83.7 84.3 -74.6 -20.3 37.2 11.2 64.2 128 50 B I H <> S+ 0 0 0 -3,-1.4 4,-3.2 1,-0.2 -1,-0.2 0.878 82.9 63.5 -43.9 -43.8 36.6 13.9 61.6 129 51 B Y H <> S+ 0 0 13 -3,-0.7 4,-1.5 -4,-0.5 -1,-0.2 0.862 106.8 38.1 -52.1 -49.7 39.4 12.3 59.5 130 52 B E H X> S+ 0 0 102 -3,-0.8 4,-2.3 -4,-0.3 3,-0.6 0.970 114.8 54.8 -68.6 -48.4 37.7 9.0 58.9 131 53 B E H 3X S+ 0 0 56 -4,-2.1 4,-2.1 1,-0.3 -2,-0.2 0.888 108.7 50.7 -50.7 -41.6 34.3 10.7 58.5 132 54 B T H 3X S+ 0 0 2 -4,-3.2 4,-2.5 -5,-0.3 -1,-0.3 0.860 106.2 53.3 -67.0 -35.6 36.0 12.8 55.8 133 55 B R H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 3,-0.6 0.953 110.2 48.6 -58.3 -48.5 31.7 9.8 34.2 148 70 B V H 3X S+ 0 0 5 -4,-2.9 4,-3.5 1,-0.3 5,-0.3 0.915 103.8 59.1 -60.8 -42.9 32.4 6.2 33.3 149 71 B T H 3X S+ 0 0 30 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.3 0.868 107.0 49.6 -53.0 -35.9 28.8 5.7 32.1 150 72 B Y H <>S+ 0 0 0 -4,-1.9 5,-1.7 1,-0.2 3,-0.8 0.986 113.2 49.6 -59.7 -57.3 32.9 6.8 28.5 152 74 B E H ><5S+ 0 0 102 -4,-3.5 3,-1.2 1,-0.3 -1,-0.2 0.840 111.3 49.5 -50.0 -40.2 31.2 3.4 28.3 153 75 B H H 3<5S+ 0 0 8 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.821 104.8 57.9 -71.7 -30.3 28.4 4.9 26.1 154 76 B A T <<5S- 0 0 21 -4,-1.6 -1,-0.3 -3,-0.8 -2,-0.2 0.300 113.4-121.5 -81.2 11.3 31.0 6.5 23.9 155 77 B K T < 5 + 0 0 157 -3,-1.2 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30.0 40.6 43.5 652 1091 G E H > S+ 0 0 151 -2,-0.6 4,-0.9 1,-0.2 -1,-0.2 0.879 95.5 40.7 -47.2 -50.4 26.5 39.8 44.9 653 1092 G E H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.921 116.2 45.1 -71.2 -46.3 24.9 39.3 41.5 654 1093 G L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.897 110.0 57.5 -64.1 -39.8 27.6 37.3 39.7 655 1094 G N H < S+ 0 0 62 -4,-2.7 -1,-0.2 -7,-0.6 -2,-0.2 0.808 108.5 47.1 -60.7 -29.0 28.1 35.1 42.7 656 1095 G K H >< S+ 0 0 143 -4,-0.9 3,-1.9 -3,-0.3 -2,-0.2 0.930 110.9 49.3 -78.8 -47.1 24.4 34.2 42.5 657 1096 G L H 3< S+ 0 0 11 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.894 121.2 37.2 -58.6 -37.2 24.5 33.5 38.8 658 1097 G L T >< S+ 0 0 2 -4,-2.8 3,-1.8 -5,-0.2 -1,-0.3 0.119 82.8 128.0-102.9 27.2 27.5 31.3 39.3 659 1098 G G T < S+ 0 0 44 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.710 78.5 32.5 -54.9 -31.0 26.2 30.1 42.6 660 1099 G R T 3 S+ 0 0 165 -3,-0.3 -486,-0.4 -4,-0.2 2,-0.4 -0.128 99.8 100.8-121.4 40.9 26.6 26.4 41.8 661 1100 G V < - 0 0 7 -3,-1.8 2,-0.5 -488,-0.1 -486,-0.2 -0.968 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-3,-0.1 -2,-0.0 -0.682 22.2 179.4-167.5 110.3 37.0 34.6 55.9 672 1111 G I - 0 0 38 -2,-0.2 2,-0.4 -656,-0.0 5,-0.1 -0.961 38.2-113.9-116.3 126.6 37.4 33.6 59.5 673 1112 G Q > - 0 0 63 -2,-0.5 3,-4.1 -553,-0.3 4,-0.5 -0.424 26.1-134.0 -58.4 113.4 34.4 33.3 61.8 674 1113 G S G > S+ 0 0 94 -2,-0.4 3,-1.6 1,-0.3 -1,-0.2 0.778 103.5 65.8 -41.4 -36.1 35.0 36.1 64.3 675 1114 G V G 3 S+ 0 0 84 1,-0.3 -1,-0.3 -594,-0.0 -2,-0.1 0.711 97.4 58.1 -63.4 -15.9 34.2 33.8 67.2 676 1115 G L G < S+ 0 0 1 -3,-4.1 -1,-0.3 2,-0.1 -2,-0.2 0.651 84.3 101.6 -85.7 -18.9 37.4 31.9 66.2 677 1116 G L S < S- 0 0 81 -3,-1.6 3,-0.1 -4,-0.5 2,-0.1 -0.314 83.6 -98.1 -64.9 148.6 39.6 35.0 66.7 678 1117 G P - 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.348 55.4 -70.4 -70.4 151.6 41.7 35.1 69.9 679 1118 G K 0 0 215 1,-0.1 0, 0.0 -2,-0.1 0, 0.0 -0.037 360.0 360.0 -41.5 130.6 40.5 37.1 72.9 680 1119 G K 0 0 245 -3,-0.1 -1,-0.1 0, 0.0 -3,-0.0 -0.420 360.0 360.0-151.9 360.0 40.7 40.9 72.3 681 !* 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 0.0 682 1429 H T 0 0 198 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -35.7 42.1 19.0 14.8 683 1430 H R + 0 0 208 1,-0.1 2,-0.4 0, 0.0 0, 0.0 -0.419 360.0 178.6 -62.7 119.1 39.9 22.1 14.2 684 1431 H K - 0 0 179 -2,-0.3 -1,-0.1 2,-0.0 0, 0.0 -0.874 16.2-144.1-130.8 99.6 38.6 23.0 17.7 685 1432 H E + 0 0 56 -2,-0.4 2,-0.3 2,-0.0 0, 0.0 -0.015 27.1 155.8 -59.7 158.0 36.3 26.1 18.1 686 1433 H S - 0 0 42 1,-0.0 3,-0.2 27,-0.0 4,-0.2 -0.953 48.7-119.3-171.8 166.5 36.2 28.4 21.2 687 1434 H Y S > S+ 0 0 5 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.272 76.9 113.6-100.1 6.0 35.3 32.0 22.1 688 1435 H A H > S+ 0 0 28 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.864 72.0 49.1 -45.5 -53.6 38.9 32.8 23.2 689 1436 H I H > S+ 0 0 102 1,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.985 115.1 45.3 -56.2 -53.8 39.7 35.4 20.5 690 1437 H Y H > S+ 0 0 35 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.896 110.5 52.7 -56.4 -44.7 36.4 37.3 21.2 691 1438 H V H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.984 111.8 49.2 -53.3 -48.4 36.9 37.1 24.9 692 1439 H Y H X S+ 0 0 106 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.855 108.8 50.1 -60.3 -38.7 40.3 38.6 24.2 693 1440 H K H X S+ 0 0 98 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.979 113.6 47.0 -61.8 -53.4 39.0 41.4 22.0 694 1441 H V H X S+ 0 0 2 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.876 106.9 57.3 -54.1 -42.5 36.5 42.3 24.7 695 1442 H L H >X S+ 0 0 0 -4,-2.8 4,-3.5 -5,-0.3 3,-1.3 0.946 105.7 50.9 -55.9 -47.6 39.2 42.2 27.4 696 1443 H K H 3< S+ 0 0 64 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.873 103.7 57.6 -58.4 -38.5 41.1 44.8 25.5 697 1444 H Q H 3< S+ 0 0 119 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.723 119.5 32.2 -64.5 -20.7 38.1 47.1 25.2 698 1445 H V H << S+ 0 0 38 -3,-1.3 -2,-0.2 -4,-1.0 -1,-0.2 0.826 137.8 16.2-103.1 -44.8 37.9 47.0 29.0 699 1446 H H >< - 0 0 29 -4,-3.5 3,-0.9 -5,-0.2 -2,-0.2 -0.554 68.2-179.6-131.9 67.9 41.5 46.7 30.2 700 1447 H P T 3 S+ 0 0 75 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.733 83.1 47.7 -37.9 -38.3 43.6 47.6 27.1 701 1448 H D T 3 S+ 0 0 157 -3,-0.1 2,-0.3 -5,-0.1 -5,-0.1 -0.406 98.9 92.4-107.5 57.7 46.8 47.1 29.0 702 1449 H T < - 0 0 17 -3,-0.9 -64,-0.2 -2,-0.4 2,-0.2 -0.998 50.2-164.0-149.3 147.5 46.0 43.7 30.6 703 1450 H G E -j 638 0J 13 -66,-2.0 -64,-2.8 -2,-0.3 2,-0.3 -0.527 11.6-129.3-122.2-170.6 46.4 40.0 29.7 704 1451 H I E -j 639 0J 23 -66,-0.3 -64,-0.2 -2,-0.2 -66,-0.1 -0.932 16.4-122.2-153.5 129.6 45.1 36.6 30.6 705 1452 H S > - 0 0 23 -66,-1.5 4,-1.6 -2,-0.3 5,-0.1 0.100 33.5-107.8 -57.3 169.6 46.6 33.2 31.6 706 1453 H S H > S+ 0 0 107 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.969 118.3 43.4 -65.6 -52.8 45.9 30.1 29.7 707 1454 H K H >> S+ 0 0 122 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.915 110.0 55.1 -59.3 -50.7 43.6 28.6 32.4 708 1455 H A H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.888 107.5 50.7 -52.5 -41.5 41.7 31.8 33.1 709 1456 H M H 3X S+ 0 0 29 -4,-1.6 4,-1.6 1,-0.2 -1,-0.3 0.827 108.0 53.2 -67.5 -29.2 40.9 32.0 29.4 710 1457 H S H S+ 0 0 1 -4,-2.3 5,-2.9 1,-0.2 -2,-0.2 0.927 114.4 46.9 -60.9 -42.5 8.8 28.5 23.0 732 1479 H H H ><5S+ 0 0 60 -4,-1.7 3,-2.0 3,-0.2 -2,-0.2 0.900 107.4 55.6 -66.2 -41.4 7.4 25.0 23.8 733 1480 H Y H 3<5S+ 0 0 42 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.899 112.0 45.0 -59.3 -34.8 5.2 26.3 26.6 734 1481 H N T 3<5S- 0 0 27 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.251 114.6-117.1 -93.6 17.0 3.6 28.7 24.2 735 1482 H K T < 5 + 0 0 174 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.908 66.2 148.0 47.8 49.0 3.3 26.1 21.4 736 1483 H R < - 0 0 152 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.952 43.5-159.2-116.4 133.5 5.6 28.1 19.3 737 1484 H S S S+ 0 0 73 -2,-0.4 -134,-2.6 -3,-0.1 2,-0.4 0.464 70.8 72.4 -92.0 0.9 8.0 26.7 16.8 738 1485 H T E -i 603 0I 36 -136,-0.2 2,-0.8 -7,-0.1 -134,-0.2 -0.926 63.4-149.0-121.4 140.3 10.4 29.6 16.7 739 1486 H I E +i 604 0I 0 -136,-2.2 -134,-1.6 -2,-0.4 -131,-0.2 -0.905 32.2 171.4-104.2 107.0 12.9 31.1 19.1 740 1487 H T > - 0 0 46 -2,-0.8 4,-1.7 -136,-0.2 3,-0.5 -0.405 53.0 -90.8-101.9-175.8 13.0 34.8 18.5 741 1488 H S H > S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.655 123.5 69.2 -72.8 -12.0 14.8 37.6 20.5 742 1489 H R H > S+ 0 0 92 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 102.6 43.9 -68.2 -44.3 11.5 37.9 22.5 743 1490 H E H > S+ 0 0 12 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.931 110.4 53.3 -66.3 -46.9 12.4 34.4 23.9 744 1491 H I H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.888 111.0 50.5 -56.7 -34.7 16.0 35.3 24.5 745 1492 H Q H X S+ 0 0 50 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.932 110.0 44.2 -71.2 -47.5 14.8 38.3 26.4 746 1493 H T H X S+ 0 0 15 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.911 113.9 55.2 -62.4 -37.4 12.3 36.6 28.7 747 1494 H A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.892 105.1 50.2 -59.1 -48.0 15.0 34.0 29.3 748 1495 H V H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.902 109.7 53.1 -61.4 -35.7 17.5 36.5 30.3 749 1496 H R H < S+ 0 0 123 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.874 111.1 43.9 -67.6 -40.0 14.9 38.0 32.7 750 1497 H L H < S+ 0 0 11 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.838 122.2 41.1 -71.6 -30.4 14.3 34.6 34.4 751 1498 H L H < S+ 0 0 31 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.780 98.0 72.1 -90.4 -35.4 18.0 33.8 34.5 752 1499 H L S < S- 0 0 10 -4,-2.8 5,-0.1 -5,-0.2 -98,-0.1 -0.745 81.4-110.9 -96.1 137.6 19.9 36.9 35.5 753 1500 H P > - 0 0 7 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.188 53.5 -76.8 -55.4 153.5 20.0 38.4 39.0 754 1501 H G H > S+ 0 0 54 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.605 123.9 21.3 -13.5 -79.6 18.3 41.8 39.4 755 1502 H E H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.867 118.5 62.2 -72.9 -38.3 20.6 44.4 37.9 756 1503 H L H > S+ 0 0 5 1,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.914 105.6 49.3 -54.0 -41.6 22.6 42.0 35.7 757 1504 H A H X S+ 0 0 9 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.919 107.0 52.5 -65.7 -44.8 19.3 41.3 33.9 758 1505 H K H X S+ 0 0 126 -4,-1.2 4,-1.7 -5,-0.2 -1,-0.2 0.929 114.3 42.8 -59.2 -44.7 18.3 44.9 33.3 759 1506 H H H X S+ 0 0 80 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.922 112.5 51.7 -67.5 -46.9 21.7 45.7 31.7 760 1507 H A H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.3 -2,-0.2 0.947 109.3 51.7 -54.2 -49.5 21.9 42.6 29.7 761 1508 H V H X S+ 0 0 10 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.855 108.4 51.7 -57.3 -39.6 18.4 43.3 28.3 762 1509 H S H X S+ 0 0 61 -4,-1.7 4,-3.0 -5,-0.2 -2,-0.2 0.997 112.0 44.6 -60.5 -60.1 19.5 46.8 27.3 763 1510 H E H X S+ 0 0 66 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.899 113.1 53.0 -48.6 -47.6 22.6 45.6 25.4 764 1511 H G H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.942 111.5 44.0 -55.0 -51.9 20.5 42.9 23.8 765 1512 H T H X S+ 0 0 61 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.904 109.7 58.1 -60.9 -43.1 17.9 45.4 22.6 766 1513 H K H X S+ 0 0 133 -4,-3.0 4,-3.4 1,-0.2 5,-0.2 0.958 107.2 45.4 -50.3 -62.6 20.6 47.9 21.4 767 1514 H A H X S+ 0 0 5 -4,-2.1 4,-4.0 1,-0.2 -1,-0.2 0.855 112.0 50.8 -52.9 -43.6 22.3 45.4 19.1 768 1515 H V H X S+ 0 0 27 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.920 113.2 46.3 -63.5 -41.7 19.0 44.2 17.6 769 1516 H T H X S+ 0 0 89 -4,-2.4 4,-2.0 2,-0.2 3,-0.4 0.969 117.3 43.9 -61.6 -51.0 17.9 47.8 16.9 770 1517 H K H < S+ 0 0 102 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.937 110.4 55.1 -60.2 -48.2 21.4 48.6 15.5 771 1518 H Y H < S+ 0 0 46 -4,-4.0 -1,-0.2 1,-0.2 -2,-0.2 0.797 109.1 47.6 -56.4 -33.5 21.5 45.3 13.5 772 1519 H T H < S+ 0 0 109 -4,-1.7 2,-2.1 -3,-0.4 -1,-0.2 0.863 101.7 65.7 -76.0 -36.4 18.2 46.2 11.8 773 1520 H S < 0 0 96 -4,-2.0 -1,-0.2 -5,-0.2 -4,-0.0 -0.597 360.0 360.0 -82.8 73.4 19.4 49.8 11.1 774 1521 H A 0 0 85 -2,-2.1 -1,-0.1 -3,-0.1 -193,-0.0 -0.313 360.0 360.0 175.1 360.0 22.0 48.3 8.7 775 !* 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 0.0 776 1902 J X 0 0 148 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 20.8 -15.3 0.7 72.2 777 1903 J X 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.746 360.0 360.0-171.2 9.0 -9.7 0.9 72.8 778 1904 J X 0 0 160 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.765 360.0 360.0-172.9 360.0 -5.5 4.4 74.6 779 ! 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 0.0 780 1906 J X 0 0 168 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 12.6 -5.1 8.1 72.6 781 1907 J X + 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.668 360.0 19.4-162.3 7.1 -7.1 3.3 70.3 782 1908 J X S S+ 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.743 71.3 16.6-176.4 13.4 -12.1 0.7 69.2 783 1909 J X 0 0 153 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.777 360.0 360.0 177.7 -3.2 -17.8 1.6 68.5 784 1910 J X 0 0 161 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.897 360.0 360.0 97.8 360.0 -22.8 6.0 67.5