==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-SEP-12 4H6X . COMPND 2 MOLECULE: THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROCHLORON DIDEMNI; . AUTHOR S.K.NAIR,V.AGARWAL . 605 10 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 410 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.6 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 . 2 0.3 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 . 1 0.2 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 . 32 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 0 2 0 2 2 4 3 1 0 0 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 4 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 PARALLEL BRIDGES PER LADDER . 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 1 1 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 1 516 A A 0 0 80 0, 0.0 15,-0.1 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 90.5 52.8 26.1 -16.1 2 517 A L + 0 0 119 13,-0.3 14,-0.1 1,-0.3 13,-0.0 0.749 360.0 31.7 -63.4 -24.3 50.5 29.2 -16.3 3 518 A H S S- 0 0 46 12,-0.2 -1,-0.3 2,-0.0 15,-0.1 -0.640 86.9-149.1-137.2 78.2 50.9 29.5 -12.5 4 519 A P - 0 0 87 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.201 19.2-169.3 -51.4 128.9 54.4 28.4 -11.4 5 520 A H > - 0 0 22 1,-0.1 3,-1.9 110,-0.1 4,-0.3 -0.944 33.4-118.5-125.5 147.0 54.2 26.9 -7.9 6 521 A D T 3 S+ 0 0 74 -2,-0.4 3,-0.3 1,-0.3 4,-0.2 0.735 115.4 45.7 -49.8 -30.8 57.0 26.0 -5.5 7 522 A L T 3> S+ 0 0 4 1,-0.2 4,-1.8 2,-0.1 3,-0.4 0.365 78.5 105.2-102.2 3.2 55.8 22.3 -5.5 8 523 A D T <4 S+ 0 0 21 -3,-1.9 6,-0.3 1,-0.2 7,-0.3 0.883 86.0 43.8 -47.8 -46.8 55.3 21.9 -9.3 9 524 A E T 4 S+ 0 0 183 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.779 115.7 47.6 -74.4 -26.9 58.4 19.8 -9.6 10 525 A R T 4 S+ 0 0 41 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.632 112.5 52.2 -87.6 -15.9 57.7 17.8 -6.5 11 526 A I S >< S- 0 0 0 -4,-1.8 3,-2.3 -3,-0.2 4,-0.4 -0.817 80.2-143.8-127.5 92.2 54.1 17.1 -7.5 12 527 A P T 3 S+ 0 0 77 0, 0.0 266,-0.6 0, 0.0 -3,-0.1 -0.245 88.7 19.8 -49.4 131.9 53.5 15.6 -11.0 13 528 A G T 3> S+ 0 0 15 265,-0.2 4,-2.5 -5,-0.1 5,-0.2 0.238 91.8 108.3 91.7 -13.7 50.3 17.1 -12.5 14 529 A L H <> S+ 0 0 0 -3,-2.3 4,-3.3 -6,-0.3 5,-0.2 0.948 79.7 47.1 -63.6 -49.4 50.1 20.1 -10.2 15 530 A A H > S+ 0 0 20 -4,-0.4 4,-2.2 -7,-0.3 -13,-0.3 0.932 114.1 48.9 -57.2 -47.1 51.1 22.7 -12.8 16 531 A D H > S+ 0 0 105 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.861 112.2 47.4 -60.7 -41.2 48.6 21.1 -15.3 17 532 A L H >X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 3,-1.3 0.940 111.0 52.0 -66.8 -43.5 45.8 21.1 -12.6 18 533 A H H 3< S+ 0 0 2 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.870 102.4 60.8 -57.5 -35.8 46.7 24.8 -11.8 19 534 A N H 3< S+ 0 0 50 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.762 112.6 37.8 -61.3 -25.2 46.4 25.5 -15.6 20 535 A Q H << S+ 0 0 97 -3,-1.3 2,-0.3 -4,-0.7 -2,-0.2 0.805 131.0 0.1 -95.4 -38.8 42.8 24.4 -15.3 21 536 A T < - 0 0 12 -4,-2.6 -1,-0.3 -5,-0.1 3,-0.1 -0.996 31.6-169.8-151.3 146.1 41.8 25.8 -11.9 22 537 A L S S- 0 0 24 1,-0.5 103,-2.7 -2,-0.3 104,-0.4 0.127 78.3 -76.8-110.1 14.0 43.1 27.8 -8.9 23 538 A G - 0 0 9 102,-0.2 -1,-0.5 101,-0.2 222,-0.1 -0.350 41.4-102.9 115.2 166.6 39.9 26.9 -7.1 24 539 A D > - 0 0 37 220,-0.2 3,-2.7 -2,-0.1 103,-0.5 -0.997 16.5-134.7-130.8 131.0 36.3 27.9 -6.9 25 540 A P T 3 S+ 0 0 74 0, 0.0 101,-0.1 0, 0.0 -1,-0.1 0.543 103.5 70.7 -61.4 -8.0 34.6 30.0 -4.2 26 541 A Q T 3 S+ 0 0 138 222,-0.1 2,-0.7 2,-0.0 100,-0.1 0.570 84.1 82.3 -80.1 -11.3 31.8 27.5 -4.0 27 542 A I S < S- 0 0 0 -3,-2.7 100,-2.2 98,-0.1 2,-0.5 -0.876 70.2-162.5 -96.9 117.8 34.3 25.1 -2.4 28 543 A T E -a 127 0A 7 -2,-0.7 126,-3.0 124,-0.4 127,-1.9 -0.899 6.8-167.4-105.2 123.4 34.6 25.9 1.4 29 544 A I E -ab 128 155A 0 98,-2.7 100,-2.8 -2,-0.5 2,-0.6 -0.949 6.4-158.7-107.6 125.0 37.5 24.7 3.4 30 545 A V E -ab 129 156A 0 125,-2.8 127,-2.9 -2,-0.5 2,-0.7 -0.933 7.4-154.6-105.1 125.1 37.2 24.9 7.2 31 546 A I E -ab 130 157A 0 98,-2.9 100,-3.1 -2,-0.6 2,-0.9 -0.879 5.6-162.6-106.7 112.5 40.5 24.9 9.0 32 547 A I E +ab 131 158A 9 125,-3.0 127,-1.7 -2,-0.7 2,-0.2 -0.831 54.9 90.8 -93.1 102.2 40.4 23.7 12.6 33 548 A D E S-a 132 0A 7 -2,-0.9 100,-2.1 98,-0.8 101,-0.2 -0.742 78.7 -44.7-164.2-157.0 43.7 25.0 13.9 34 549 A G S S- 0 0 0 66,-0.9 -1,-0.3 98,-0.3 67,-0.2 0.074 71.9 -71.7 -78.2-163.5 45.1 28.1 15.7 35 550 A D - 0 0 40 62,-0.2 70,-0.2 97,-0.1 -1,-0.1 -0.852 50.7-150.8-101.7 108.5 44.5 31.7 15.0 36 551 A P - 0 0 3 0, 0.0 2,-0.9 0, 0.0 66,-0.1 -0.303 20.6-108.1 -80.3 164.0 46.2 32.9 11.7 37 552 A D > - 0 0 26 64,-0.2 3,-1.3 1,-0.1 6,-0.1 -0.790 27.6-173.3 -99.9 100.7 47.5 36.4 11.0 38 553 A Y T 3 S+ 0 0 65 -2,-0.9 -1,-0.1 1,-0.3 10,-0.1 0.402 74.9 76.4 -77.0 1.5 45.2 38.0 8.4 39 554 A T T 3 S+ 0 0 115 5,-0.0 -1,-0.3 3,-0.0 2,-0.2 0.582 70.2 108.3 -82.4 -11.0 47.4 41.1 8.0 40 555 A L S X S- 0 0 5 -3,-1.3 3,-2.1 1,-0.1 4,-0.3 -0.463 76.0-130.0 -70.9 138.0 49.9 39.1 5.9 41 556 A S G > S+ 0 0 49 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.767 102.2 73.2 -62.6 -26.9 49.9 40.0 2.2 42 557 A C G 3 S+ 0 0 2 1,-0.3 72,-3.0 71,-0.1 -1,-0.3 0.722 99.6 48.1 -58.3 -20.6 49.5 36.4 1.2 43 558 A F G X S+ 0 0 8 -3,-2.1 3,-2.2 70,-0.2 2,-0.6 0.478 80.9 120.6 -96.7 -4.8 45.9 36.7 2.4 44 559 A E T < S+ 0 0 151 -3,-1.8 3,-0.1 -4,-0.3 -5,-0.0 -0.453 91.5 5.2 -62.2 109.1 45.3 40.0 0.5 45 560 A G T 3 S+ 0 0 58 -2,-0.6 -1,-0.3 1,-0.4 2,-0.2 0.356 99.8 133.0 92.0 -5.8 42.5 39.1 -1.8 46 561 A A < - 0 0 15 -3,-2.2 2,-1.8 1,-0.1 -1,-0.4 -0.513 66.9-121.1 -72.4 143.9 42.0 35.6 -0.3 47 562 A E E +c 127 0A 104 79,-0.5 81,-3.3 77,-0.4 2,-0.3 -0.552 62.7 146.1 -82.8 71.8 38.4 34.7 0.5 48 563 A V E +c 128 0A 28 -2,-1.8 2,-0.3 -5,-0.2 81,-0.2 -0.861 19.1 163.6-111.1 145.4 39.3 34.1 4.2 49 564 A S E -c 129 0A 49 79,-1.5 81,-2.6 -2,-0.3 2,-0.4 -0.982 28.5-124.9-153.3 155.8 37.2 34.6 7.3 50 565 A K E -c 130 0A 67 -2,-0.3 2,-0.5 79,-0.2 81,-0.2 -0.868 15.5-175.3-104.5 135.2 37.3 33.6 11.0 51 566 A V - 0 0 44 79,-2.7 -2,-0.0 -2,-0.4 100,-0.0 -0.947 17.6-155.2-123.0 106.1 34.6 31.9 12.9 52 567 A F - 0 0 108 -2,-0.5 2,-0.1 79,-0.2 81,-0.1 -0.670 31.6-102.6 -80.3 132.0 35.7 31.5 16.6 53 568 A P > - 0 0 4 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.375 29.3-144.0 -55.0 122.7 34.0 28.6 18.5 54 569 A Y T 3 S+ 0 0 35 1,-0.3 -2,-0.0 -2,-0.1 389,-0.0 0.654 94.8 65.5 -69.9 -16.2 31.4 30.5 20.5 55 570 A W T 3 S+ 0 0 24 2,-0.1 2,-0.3 389,-0.0 -1,-0.3 0.448 85.9 92.8 -84.2 -1.3 31.8 28.1 23.4 56 571 A H S < S- 0 0 21 -3,-1.8 80,-0.1 3,-0.0 -4,-0.0 -0.737 79.2-124.6 -90.7 139.7 35.4 29.3 24.0 57 572 A E - 0 0 114 -2,-0.3 2,-0.1 78,-0.1 -2,-0.1 -0.686 41.8-108.3 -70.2 130.2 36.4 32.1 26.4 58 573 A P - 0 0 116 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.421 34.8-139.7 -63.9 137.9 38.3 34.6 24.2 59 574 A A - 0 0 40 -2,-0.1 76,-0.1 1,-0.1 3,-0.1 -0.583 26.0 -90.2 -93.9 161.2 42.1 34.6 25.0 60 575 A E - 0 0 154 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.503 50.0-103.7 -66.2 134.7 44.4 37.6 25.2 61 576 A P - 0 0 106 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.273 35.6-117.7 -55.3 145.5 46.0 38.6 21.9 62 577 A I - 0 0 20 -3,-0.1 -3,-0.0 1,-0.1 32,-0.0 -0.773 30.3-117.6 -89.1 134.2 49.6 37.5 21.6 63 578 A T > - 0 0 60 -2,-0.4 4,-1.8 1,-0.1 3,-0.2 -0.300 14.5-121.3 -69.3 152.8 52.1 40.4 21.2 64 579 A P H > S+ 0 0 70 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.877 115.4 60.5 -56.5 -35.4 54.3 40.8 18.1 65 580 A E H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.890 102.0 50.9 -61.4 -40.5 57.2 40.6 20.5 66 581 A D H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 111.8 46.7 -63.0 -44.8 56.2 37.2 21.7 67 582 A Y H X S+ 0 0 21 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.934 110.6 53.4 -61.2 -43.2 56.0 35.9 18.1 68 583 A A H X S+ 0 0 54 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.869 107.1 52.2 -60.2 -38.8 59.4 37.5 17.4 69 584 A A H X S+ 0 0 21 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.921 111.6 45.5 -62.0 -47.8 60.9 35.7 20.3 70 585 A F H X S+ 0 0 11 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.920 114.2 49.6 -59.2 -44.8 59.5 32.3 19.0 71 586 A Q H X S+ 0 0 19 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.839 107.7 52.8 -69.8 -33.0 60.7 33.1 15.5 72 587 A S H X S+ 0 0 58 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.921 109.1 50.1 -63.7 -45.9 64.2 34.1 16.6 73 588 A I H X>S+ 0 0 9 -4,-1.9 5,-1.3 2,-0.2 4,-0.6 0.890 113.0 46.4 -59.1 -41.7 64.5 30.8 18.5 74 589 A R H ><5S+ 0 0 51 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.948 110.5 52.5 -64.7 -49.3 63.4 28.9 15.4 75 590 A D H 3<5S+ 0 0 105 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.780 104.5 57.7 -56.4 -30.0 65.8 30.9 13.1 76 591 A Q H 3<5S- 0 0 115 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.681 107.5-129.4 -73.7 -22.7 68.6 30.0 15.5 77 592 A G T <<5 + 0 0 51 -3,-1.5 -3,-0.2 -4,-0.6 -2,-0.1 0.731 40.3 173.8 78.7 23.0 67.9 26.3 14.9 78 593 A L < - 0 0 42 -5,-1.3 -1,-0.2 1,-0.1 -2,-0.0 -0.359 9.7-171.2 -60.9 147.0 67.8 25.3 18.6 79 594 A K - 0 0 176 -2,-0.0 -1,-0.1 4,-0.0 5,-0.1 0.739 39.2 -11.2-115.6-100.6 66.7 21.7 18.9 80 595 A G S > S- 0 0 46 3,-0.1 4,-1.9 2,-0.1 3,-0.2 0.840 125.3 -5.1 -80.0-102.5 65.7 19.5 21.8 81 596 A K H > S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.820 131.3 60.4 -67.9 -33.5 66.3 20.6 25.4 82 597 A E H > S+ 0 0 135 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 107.6 46.0 -58.3 -43.6 68.1 23.8 24.3 83 598 A K H > S+ 0 0 67 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.923 111.7 51.1 -65.4 -45.8 64.9 24.9 22.4 84 599 A E H X S+ 0 0 75 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.897 111.4 47.4 -59.5 -43.5 62.6 24.0 25.4 85 600 A E H X S+ 0 0 124 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.894 111.2 50.9 -66.9 -40.0 64.7 26.0 27.8 86 601 A A H X S+ 0 0 25 -4,-1.9 4,-1.1 2,-0.2 5,-0.3 0.881 111.2 47.7 -65.6 -40.9 64.9 29.0 25.5 87 602 A L H X S+ 0 0 9 -4,-2.3 4,-2.8 1,-0.2 3,-0.4 0.906 113.4 48.4 -63.7 -44.1 61.1 29.1 25.0 88 603 A E H < S+ 0 0 102 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.815 107.6 56.8 -65.3 -33.6 60.6 28.8 28.8 89 604 A A H < S+ 0 0 87 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.803 126.5 13.4 -67.4 -29.9 63.1 31.6 29.4 90 605 A V H < S+ 0 0 79 -4,-1.1 -2,-0.2 -3,-0.4 -3,-0.2 0.742 137.8 23.0-123.8 -37.3 61.3 34.1 27.3 91 606 A I >X + 0 0 2 -4,-2.8 4,-1.8 -5,-0.3 3,-0.6 -0.326 67.0 145.5-130.1 55.3 57.7 33.1 26.3 92 607 A P T 34 S+ 0 0 43 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.865 77.2 40.6 -62.0 -36.1 56.7 30.5 29.0 93 608 A D T 34 S+ 0 0 148 1,-0.2 4,-0.2 -3,-0.1 -5,-0.1 0.577 124.6 33.6 -92.0 -11.6 53.1 31.5 29.1 94 609 A T T <> S+ 0 0 24 -3,-0.6 4,-2.4 2,-0.1 5,-0.2 0.498 87.1 94.6-121.5 -7.4 52.4 32.0 25.4 95 610 A K H X S+ 0 0 33 -4,-1.8 4,-2.2 1,-0.2 5,-0.1 0.832 85.9 51.2 -55.4 -39.8 54.7 29.4 23.7 96 611 A D H > S+ 0 0 123 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.943 113.5 43.3 -68.1 -47.6 51.9 26.7 23.4 97 612 A R H > S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 -62,-0.2 0.844 111.7 56.1 -63.9 -36.1 49.4 29.1 21.8 98 613 A I H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.926 102.8 54.0 -64.1 -45.3 52.1 30.5 19.6 99 614 A V H X S+ 0 0 77 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.938 114.1 43.1 -50.1 -49.7 53.0 27.0 18.2 100 615 A L H X S+ 0 0 65 -4,-1.6 4,-2.2 2,-0.2 -66,-0.9 0.888 117.3 43.9 -66.2 -43.5 49.2 26.6 17.3 101 616 A N H X S+ 0 0 2 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.886 113.7 50.8 -72.2 -37.1 48.8 30.1 15.8 102 617 A D H X S+ 0 0 5 -4,-3.4 4,-1.9 -5,-0.2 -2,-0.2 0.922 110.6 50.1 -61.3 -45.0 52.1 29.9 14.0 103 618 A H H X S+ 0 0 30 -4,-2.2 4,-3.2 -5,-0.3 5,-0.3 0.906 107.7 54.1 -60.8 -43.6 51.0 26.5 12.5 104 619 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.877 107.2 50.6 -57.5 -42.5 47.6 28.0 11.5 105 620 A C H X S+ 0 0 0 -4,-1.9 4,-2.0 -70,-0.2 114,-0.6 0.919 114.8 43.7 -62.4 -44.7 49.4 30.8 9.6 106 621 A H H X S+ 0 0 0 -4,-1.9 4,-2.2 112,-0.2 113,-0.3 0.958 116.3 44.9 -64.8 -56.3 51.5 28.3 7.7 107 622 A V H X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.919 114.7 48.8 -55.8 -47.2 48.8 25.8 7.0 108 623 A T H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 5,-0.3 0.906 111.4 48.9 -64.8 -42.7 46.3 28.5 5.8 109 624 A S H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.863 107.6 56.3 -63.5 -36.5 48.9 30.1 3.5 110 625 A T H < S+ 0 0 5 -4,-2.2 12,-2.7 1,-0.2 -1,-0.2 0.849 116.2 36.9 -61.5 -35.5 49.7 26.7 2.0 111 626 A I H < S+ 0 0 0 -4,-1.5 12,-2.9 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47.1 -62.1 -41.1 14.8 40.8 44.5 579 816 B L H X S+ 0 0 0 -4,-2.2 4,-0.7 -5,-0.2 24,-0.3 0.934 115.8 43.6 -65.4 -44.5 12.6 37.7 44.0 580 817 B L H >< S+ 0 0 5 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.905 113.1 50.9 -68.4 -43.2 14.5 35.5 46.4 581 818 B K H 3< S+ 0 0 162 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.693 116.3 40.5 -71.4 -19.1 14.9 38.2 49.1 582 819 B T H 3< S+ 0 0 23 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.472 81.5 126.9-107.3 -3.3 11.2 39.0 49.1 583 820 B A << - 0 0 10 -4,-0.7 19,-0.2 -3,-0.5 -3,-0.0 -0.262 64.5-119.6 -56.0 140.4 9.8 35.5 48.8 584 821 B I B -R 601 0C 87 17,-2.8 17,-2.8 -60,-0.1 -1,-0.1 -0.773 22.6-132.2 -93.2 112.2 7.2 34.9 51.6 585 822 B P - 0 0 97 0, 0.0 2,-0.1 0, 0.0 15,-0.1 -0.273 29.8-104.2 -62.3 147.8 8.2 32.0 53.9 586 823 B b - 0 0 20 8,-0.4 11,-0.1 1,-0.1 -79,-0.0 -0.448 36.0-102.1 -73.7 147.0 5.4 29.5 54.7 587 824 B D >> - 0 0 86 1,-0.2 4,-2.9 -2,-0.1 3,-2.0 -0.583 24.1-146.2 -69.4 115.5 3.7 29.6 58.0 588 825 B P T 34 S+ 0 0 91 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.633 98.8 62.0 -61.8 -13.2 5.1 26.7 60.1 589 826 B E T 34 S+ 0 0 173 1,-0.1 3,-0.1 0, 0.0 -2,-0.1 0.727 115.5 30.9 -76.9 -26.5 1.7 26.3 61.7 590 827 B V T <4 S+ 0 0 100 -3,-2.0 2,-0.5 1,-0.2 -1,-0.1 0.773 120.8 50.4-101.8 -38.6 0.2 25.4 58.3 591 828 B V < - 0 0 14 -4,-2.9 -1,-0.2 1,-0.1 6,-0.0 -0.930 68.2-152.9-110.0 121.9 3.2 23.8 56.6 592 829 B E S S+ 0 0 196 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.896 93.3 27.4 -59.9 -46.4 4.9 21.0 58.5 593 830 B E > - 0 0 66 1,-0.1 3,-2.3 2,-0.0 -1,-0.3 -0.837 69.0-173.7-119.3 91.8 8.3 21.5 56.8 594 831 B P G > S+ 0 0 41 0, 0.0 3,-1.6 0, 0.0 -8,-0.4 0.670 78.1 75.1 -62.4 -17.2 8.5 25.2 55.7 595 832 B E G > S+ 0 0 103 1,-0.3 3,-1.5 2,-0.2 -80,-0.5 0.681 79.5 73.3 -68.6 -15.9 11.8 24.5 53.8 596 833 B R G < S+ 0 0 77 -3,-2.3 -1,-0.3 1,-0.3 -87,-0.1 0.698 89.0 61.3 -64.1 -21.9 9.7 22.8 51.1 597 834 B b G X S- 0 0 0 -3,-1.6 3,-1.7 1,-0.3 -73,-0.5 0.402 98.1-151.0 -84.3 1.1 8.7 26.3 50.2 598 835 B L T < S- 0 0 10 -3,-1.5 -1,-0.3 1,-0.3 -75,-0.2 -0.390 72.7 -13.8 63.1-132.0 12.4 27.1 49.4 599 836 B R T 3 S- 0 0 86 -77,-2.3 -1,-0.3 -81,-0.3 2,-0.2 0.739 122.9 -89.5 -73.2 -16.3 13.1 30.8 50.0 600 837 B G < - 0 0 0 -3,-1.7 -76,-3.0 -78,-0.2 -1,-0.3 -0.804 59.0 -38.6 138.7-176.7 9.3 31.2 50.1 601 838 B F B S-qR 524 584C 29 -17,-2.8 -17,-2.8 -2,-0.2 -76,-0.2 -0.578 74.7 -86.7 -79.5 141.5 6.3 31.9 47.9 602 839 B V - 0 0 2 -78,-2.7 2,-0.4 -2,-0.2 -1,-0.1 -0.180 41.1-167.5 -49.6 134.8 6.7 34.5 45.0 603 840 B N > + 0 0 34 -24,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.819 13.2 174.7-133.2 82.6 6.0 38.0 46.2 604 841 B I H > S+ 0 0 0 -297,-0.7 4,-2.8 -2,-0.4 5,-0.3 0.938 81.5 54.9 -57.8 -48.6 5.7 40.4 43.2 605 842 B P H > S+ 0 0 56 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.929 111.8 45.0 -53.3 -44.9 4.7 43.4 45.4 606 843 B G H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.892 112.8 49.8 -64.4 -41.0 7.9 42.9 47.5 607 844 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.889 109.2 52.4 -65.8 -38.5 10.1 42.4 44.4 608 845 B M H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 6,-1.2 0.829 108.5 51.6 -64.6 -34.7 8.7 45.6 42.8 609 846 B K H X S+ 0 0 141 -4,-1.6 4,-1.6 -5,-0.3 -2,-0.2 0.933 112.2 45.4 -68.1 -45.2 9.5 47.6 45.9 610 847 B V H < S+ 0 0 92 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.910 123.5 34.4 -61.5 -45.3 13.1 46.3 46.0 611 848 B L H < S+ 0 0 39 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.884 138.9 12.5 -81.0 -41.9 13.6 47.0 42.2 612 849 B F H < S- 0 0 59 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.457 92.4-117.6-123.1 -4.7 11.5 50.1 41.6 613 850 B G < 0 0 63 -4,-1.6 -4,-0.3 -5,-0.5 -3,-0.1 0.674 360.0 360.0 73.5 18.9 10.6 51.5 45.1 614 851 B Q 0 0 102 -6,-1.2 -1,-0.2 -9,-0.1 -2,-0.1 -0.522 360.0 360.0 -73.3 360.0 6.9 50.9 44.4