==== 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 OXIDOREDUCTASE 12-AUG-10 3OEC . COMPND 2 MOLECULE: CARVEOL DEHYDROGENASE (MYTHA.01326.C, A0R518 HOMO . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM THERMORESISTIBILE; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1096 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 784 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 13.1 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 . 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 . 60 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 399 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 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 4 0 0 4 4 0 0 7 6 3 0 4 1 3 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 4 12 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 20 A N > 0 0 106 0, 0.0 3,-0.9 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 36.9 21.0 57.6 27.5 2 21 A R T 3 + 0 0 73 1,-0.2 254,-0.4 253,-0.0 27,-0.1 0.710 360.0 38.1 -73.2 -21.3 17.5 58.6 28.7 3 22 A L T > S+ 0 0 0 25,-2.4 3,-2.6 22,-0.1 -1,-0.2 0.179 82.1 152.9-111.0 17.8 16.2 58.6 25.1 4 23 A Q T < S+ 0 0 63 -3,-0.9 26,-0.2 24,-0.3 25,-0.1 -0.150 71.8 14.1 -56.3 138.2 18.1 55.5 23.8 5 24 A G T 3 S+ 0 0 56 24,-0.9 -1,-0.3 1,-0.3 2,-0.1 0.239 99.0 124.8 84.1 -14.0 16.3 53.8 21.0 6 25 A K < - 0 0 46 -3,-2.6 25,-2.1 23,-0.1 2,-0.5 -0.458 52.4-143.2 -79.4 151.8 13.9 56.8 20.4 7 26 A V E -a 31 0A 2 23,-0.2 89,-2.3 -2,-0.1 90,-2.0 -0.974 14.6-161.0-110.4 123.1 13.3 58.6 17.1 8 27 A A E -ab 32 97A 0 23,-2.7 25,-3.1 -2,-0.5 2,-0.6 -0.917 5.8-155.8-105.6 125.4 12.8 62.4 17.4 9 28 A F E -ab 33 98A 1 88,-3.0 90,-2.9 -2,-0.5 2,-0.5 -0.910 19.8-171.9 -96.9 119.8 11.2 64.3 14.4 10 29 A I E -ab 34 99A 0 23,-3.3 25,-2.2 -2,-0.6 3,-0.4 -0.938 11.6-152.5-122.2 121.1 12.2 68.0 14.7 11 30 A T S S+ 0 0 13 88,-2.0 91,-0.2 -2,-0.5 25,-0.2 -0.541 79.9 20.9 -84.7 159.3 11.0 71.0 12.6 12 31 A G S S+ 0 0 27 23,-0.3 6,-0.5 -2,-0.2 3,-0.4 0.861 77.8 153.5 52.6 46.0 13.1 74.1 11.8 13 32 A A + 0 0 0 22,-2.3 23,-0.2 -3,-0.4 -1,-0.1 0.389 38.8 91.4 -89.8 -2.9 16.3 72.1 12.6 14 33 A A S S- 0 0 0 21,-0.2 2,-0.2 1,-0.1 43,-0.2 0.918 101.6 -31.1 -60.4 -49.8 18.8 74.0 10.4 15 34 A R S >> S+ 0 0 73 -3,-0.4 3,-1.0 41,-0.1 4,-0.8 -0.834 105.1 37.1-153.0-171.3 19.9 76.5 13.1 16 35 A G H 3> S- 0 0 28 1,-0.2 4,-1.7 -2,-0.2 3,-0.2 -0.230 122.0 -9.7 60.4-141.5 18.8 78.4 16.2 17 36 A Q H 3> S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.826 135.0 59.0 -64.0 -32.9 16.4 76.5 18.6 18 37 A G H <> S+ 0 0 0 -3,-1.0 4,-2.2 -6,-0.5 -5,-0.2 0.939 105.5 47.3 -62.0 -49.0 15.9 73.7 16.1 19 38 A R H X S+ 0 0 58 -4,-0.8 4,-2.6 -7,-0.3 5,-0.2 0.927 110.2 51.8 -57.0 -50.6 19.6 72.7 15.9 20 39 A T H X S+ 0 0 20 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.861 108.6 52.7 -58.4 -34.7 20.0 72.8 19.7 21 40 A H H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.948 111.5 46.4 -65.6 -49.9 16.9 70.4 20.0 22 41 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.937 115.9 44.4 -51.8 -52.8 18.5 68.0 17.5 23 42 A V H X S+ 0 0 27 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.916 116.3 46.3 -63.7 -44.1 21.9 68.1 19.2 24 43 A R H X S+ 0 0 26 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.841 114.2 45.4 -72.8 -38.2 20.5 67.8 22.8 25 44 A L H <>S+ 0 0 1 -4,-2.6 5,-2.3 -5,-0.2 -1,-0.2 0.886 112.8 53.4 -71.0 -39.0 18.1 64.9 22.0 26 45 A A H ><5S+ 0 0 1 -4,-2.4 3,-2.5 -5,-0.3 -2,-0.2 0.944 103.2 56.4 -54.9 -49.6 20.9 63.2 20.1 27 46 A Q H 3<5S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.839 104.6 54.2 -52.1 -35.0 23.2 63.6 23.2 28 47 A D T 3<5S- 0 0 14 -4,-1.0 -25,-2.4 -3,-0.2 -24,-0.3 0.440 129.8 -95.9 -85.6 2.6 20.4 61.6 25.1 29 48 A G T < 5S+ 0 0 10 -3,-2.5 -24,-0.9 1,-0.3 2,-0.3 0.479 77.4 137.4 105.2 2.6 20.6 58.8 22.6 30 49 A A < - 0 0 0 -5,-2.3 -1,-0.3 -26,-0.2 2,-0.2 -0.647 49.1-132.6 -81.6 136.9 17.8 59.6 20.2 31 50 A D E -a 7 0A 8 -25,-2.1 -23,-2.7 -2,-0.3 2,-0.4 -0.578 32.9-127.2 -75.3 154.4 18.2 59.3 16.4 32 51 A I E -ac 8 68A 0 35,-2.3 37,-2.3 -2,-0.2 2,-0.5 -0.898 27.0-169.2-123.4 129.6 16.9 62.3 14.5 33 52 A V E -ac 9 69A 0 -25,-3.1 -23,-3.3 -2,-0.4 2,-0.4 -0.985 29.5-174.1-103.8 117.5 14.6 63.2 11.7 34 53 A A E +ac 10 70A 0 35,-2.7 37,-2.3 -2,-0.5 2,-0.4 -0.937 9.2 177.5-119.0 127.6 15.4 66.9 10.9 35 54 A I E + c 0 71A 4 -25,-2.2 -22,-2.3 -2,-0.4 -23,-0.3 -0.980 5.5 165.3-128.5 147.8 13.6 69.2 8.5 36 55 A D E - c 0 72A 20 35,-1.3 37,-1.6 -2,-0.4 -2,-0.0 -0.956 41.2-128.4-150.6 148.3 14.0 72.8 7.6 37 56 A L - 0 0 29 -2,-0.3 3,-0.1 35,-0.2 -1,-0.1 0.820 33.9-156.6 -60.9 -35.7 12.6 74.9 4.7 38 57 A C + 0 0 6 1,-0.2 2,-0.3 12,-0.1 12,-0.1 0.802 49.7 117.9 60.0 34.9 16.2 76.0 4.1 39 58 A R - 0 0 134 11,-0.1 2,-0.9 12,-0.1 -1,-0.2 -0.969 68.5-124.5-132.2 143.5 15.1 79.2 2.3 40 59 A Q - 0 0 107 -2,-0.3 7,-0.1 -3,-0.1 10,-0.0 -0.807 30.1-149.3 -87.1 106.0 15.6 82.9 3.2 41 60 A Q > - 0 0 27 -2,-0.9 3,-1.9 1,-0.1 -2,-0.0 -0.687 5.6-146.6 -83.4 125.4 12.1 84.2 3.3 42 61 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.546 94.9 65.4 -70.8 -7.6 11.9 87.9 2.3 43 62 A N T 3 S+ 0 0 40 1,-0.1 2,-0.4 63,-0.0 -2,-0.0 0.395 94.5 71.6 -88.4 2.5 9.0 88.7 4.7 44 63 A L < - 0 0 8 -3,-1.9 2,-1.1 2,-0.1 62,-0.1 -0.977 69.3-151.6-127.6 122.3 11.3 87.9 7.7 45 64 A D + 0 0 110 -2,-0.4 164,-0.5 60,-0.2 2,-0.3 -0.428 68.0 70.4 -98.4 59.0 14.1 90.2 8.8 46 65 A Y S S- 0 0 29 -2,-1.1 2,-0.1 161,-0.1 -2,-0.1 -0.956 93.2 -80.8-158.0 157.0 16.6 87.8 10.4 47 66 A A - 0 0 52 -2,-0.3 2,-0.2 -7,-0.1 156,-0.1 -0.410 51.2-166.7 -59.2 127.5 18.9 85.0 9.2 48 67 A Q - 0 0 24 1,-0.1 -8,-0.1 -2,-0.1 -32,-0.1 -0.708 32.8 -63.9-111.5 170.9 17.0 81.8 8.6 49 68 A G - 0 0 6 -2,-0.2 -1,-0.1 -34,-0.1 -36,-0.0 -0.158 50.3-170.4 -54.6 140.7 18.0 78.2 8.0 50 69 A S > - 0 0 26 -12,-0.1 4,-2.1 1,-0.1 3,-0.2 -0.893 38.4-105.7-129.6 158.6 20.1 77.3 4.9 51 70 A P H > S+ 0 0 82 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.877 122.6 54.2 -51.9 -42.6 21.1 74.0 3.4 52 71 A E H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.917 107.6 50.1 -57.7 -44.1 24.7 74.6 4.7 53 72 A E H > S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.856 108.4 52.1 -67.2 -34.3 23.3 75.1 8.2 54 73 A L H X S+ 0 0 14 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.900 106.8 54.1 -62.8 -39.8 21.3 71.8 7.9 55 74 A K H X S+ 0 0 63 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.895 108.6 48.8 -64.2 -38.8 24.6 70.0 6.9 56 75 A E H X S+ 0 0 60 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.833 108.2 53.3 -68.2 -35.7 26.3 71.3 10.0 57 76 A T H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.959 109.2 50.1 -61.7 -47.4 23.3 70.1 12.2 58 77 A V H X S+ 0 0 32 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.919 109.6 51.1 -51.7 -44.8 23.7 66.7 10.5 59 78 A R H X S+ 0 0 117 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.915 109.9 48.8 -62.9 -43.9 27.5 66.8 11.4 60 79 A L H X S+ 0 0 33 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.813 113.2 46.9 -64.5 -39.5 26.8 67.7 15.1 61 80 A V H ><>S+ 0 0 0 -4,-2.1 5,-1.4 2,-0.2 3,-1.1 0.930 111.5 49.9 -69.9 -47.9 24.2 64.9 15.5 62 81 A E H ><5S+ 0 0 113 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.869 104.0 61.2 -59.3 -36.0 26.5 62.2 13.8 63 82 A E H 3<5S+ 0 0 124 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.731 96.3 59.4 -61.6 -26.5 29.4 63.3 16.1 64 83 A Q T <<5S- 0 0 77 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.469 126.1-105.4 -76.1 -3.0 27.2 62.2 19.1 65 84 A G T < 5S+ 0 0 56 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.580 79.6 129.0 87.2 12.6 27.2 58.7 17.5 66 85 A R < - 0 0 74 -5,-1.4 -1,-0.3 -36,-0.1 2,-0.2 -0.631 58.6-117.9-100.1 157.1 23.5 59.0 16.3 67 86 A R - 0 0 121 -2,-0.2 -35,-2.3 -41,-0.0 2,-0.3 -0.597 31.9-172.5 -82.8 151.3 21.8 58.4 13.0 68 87 A I E -c 32 0A 23 -2,-0.2 2,-0.6 -37,-0.2 -35,-0.2 -0.956 21.7-160.8-150.7 129.0 20.0 61.4 11.3 69 88 A I E -c 33 0A 14 -37,-2.3 -35,-2.7 -2,-0.3 2,-0.4 -0.978 22.8-173.6-101.7 116.4 17.8 61.8 8.2 70 89 A A E +c 34 0A 21 -2,-0.6 2,-0.3 -37,-0.2 -35,-0.2 -0.974 7.7 171.8-119.6 123.9 17.9 65.5 7.3 71 90 A R E -c 35 0A 91 -37,-2.3 -35,-1.3 -2,-0.4 2,-0.3 -0.996 37.4-119.0-136.2 139.3 15.6 66.8 4.5 72 91 A Q E +c 36 0A 90 -2,-0.3 2,-0.3 -37,-0.2 -35,-0.2 -0.584 53.6 153.3 -62.9 133.0 14.5 70.1 3.0 73 92 A A - 0 0 2 -37,-1.6 2,-0.6 -2,-0.3 8,-0.0 -0.968 43.9-127.2-164.8 156.3 10.8 70.3 3.5 74 93 A D > - 0 0 35 -2,-0.3 3,-2.0 3,-0.2 7,-0.4 -0.952 7.0-161.3-113.2 109.6 7.9 72.8 3.9 75 94 A V T 3 S+ 0 0 27 -2,-0.6 56,-0.2 1,-0.3 -1,-0.1 0.713 91.6 67.1 -60.7 -21.7 5.7 72.4 7.0 76 95 A R T 3 S+ 0 0 72 1,-0.1 2,-0.6 55,-0.1 -1,-0.3 0.657 94.1 67.5 -70.7 -14.8 3.1 74.5 5.2 77 96 A D <> - 0 0 76 -3,-2.0 4,-1.7 1,-0.2 3,-0.3 -0.921 67.3-161.7-116.2 109.9 2.7 71.6 2.6 78 97 A L H > S+ 0 0 22 -2,-0.6 4,-2.4 1,-0.2 3,-0.3 0.932 91.9 54.3 -57.8 -47.1 1.2 68.4 4.0 79 98 A A H > S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.864 105.8 54.8 -55.3 -39.2 2.4 66.3 1.0 80 99 A S H > S+ 0 0 29 -3,-0.3 4,-1.2 -6,-0.2 -1,-0.2 0.918 111.4 42.9 -61.5 -48.6 6.0 67.5 1.7 81 100 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 -7,-0.4 -2,-0.2 0.871 109.5 56.8 -64.8 -39.5 5.9 66.4 5.3 82 101 A Q H X S+ 0 0 74 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.823 104.7 54.3 -62.3 -33.1 4.2 63.0 4.6 83 102 A A H X S+ 0 0 55 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.868 109.1 46.2 -69.7 -42.0 7.1 62.2 2.2 84 103 A V H X S+ 0 0 6 -4,-1.2 4,-3.1 2,-0.2 -2,-0.2 0.912 114.3 49.0 -65.8 -40.2 9.8 62.8 4.9 85 104 A V H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.907 109.4 51.3 -64.5 -42.1 7.8 60.8 7.4 86 105 A D H X S+ 0 0 105 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.925 113.4 45.8 -62.7 -42.2 7.4 58.0 4.9 87 106 A E H X S+ 0 0 83 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.907 112.4 50.5 -62.4 -48.1 11.2 58.0 4.4 88 107 A A H X>S+ 0 0 0 -4,-3.1 4,-3.5 2,-0.2 5,-0.7 0.928 111.6 48.0 -50.3 -49.1 11.8 58.2 8.1 89 108 A L H X5S+ 0 0 50 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.878 110.8 51.1 -69.1 -34.6 9.5 55.2 8.7 90 109 A A H <5S+ 0 0 90 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.897 120.7 34.4 -68.3 -38.1 11.2 53.2 5.9 91 110 A E H <5S+ 0 0 112 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.910 135.2 20.1 -84.0 -44.2 14.7 53.8 7.4 92 111 A F H <5S- 0 0 16 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.1 0.653 87.5-135.9-102.9 -22.6 14.0 53.9 11.2 93 112 A G S <> - 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d 01094J 0 70,-3.4 72,-1.4 -2,-0.4 -42,-0.2 -0.715 7.6-169.9-130.5 80.3 1.2 70.1 41.2 1024 216 D P E - d 01095J 10 0, 0.0 -42,-1.9 0, 0.0 -41,-0.3 -0.332 6.3-158.4 -67.6 146.7 0.3 66.3 41.4 1025 217 D G - 0 0 14 70,-1.5 2,-0.2 1,-0.4 71,-0.1 0.276 69.9 -8.4 -87.9-134.2 -3.3 65.1 40.9 1026 218 D A S S- 0 0 11 70,-0.2 42,-2.5 31,-0.1 -1,-0.4 -0.496 78.4-171.4 -63.6 129.2 -4.2 61.7 42.3 1027 219 D V B -f 1068 0L 8 40,-0.2 2,-1.9 -2,-0.2 42,-0.2 -0.929 34.5-106.0-122.8 150.1 -1.0 60.1 43.6 1028 220 D N S S+ 0 0 44 40,-2.1 2,-0.3 -2,-0.3 3,-0.1 -0.565 76.9 117.8 -74.4 75.6 -0.4 56.5 44.9 1029 221 D T S > S- 0 0 26 -2,-1.9 4,-1.6 1,-0.1 3,-0.2 -0.975 76.4-117.8-137.6 159.9 -0.1 57.4 48.6 1030 222 D E H > S+ 0 0 41 -2,-0.3 4,-0.6 1,-0.2 3,-0.2 0.891 115.8 56.6 -60.0 -36.1 -2.0 56.6 51.8 1031 223 D M H 4 S+ 0 0 25 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.872 112.8 38.0 -63.9 -41.6 -2.9 60.3 52.1 1032 224 D A H 4 S+ 0 0 25 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.646 123.7 38.7 -83.1 -19.2 -4.5 60.5 48.6 1033 225 D L H < S+ 0 0 22 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.173 79.0 141.0-120.3 17.7 -6.3 57.1 48.6 1034 226 D N X - 0 0 14 -4,-0.6 4,-2.2 -3,-0.3 3,-0.3 -0.325 60.0-116.6 -68.5 149.6 -7.5 56.8 52.2 1035 227 D E H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.766 110.0 53.8 -58.7 -40.1 -10.9 55.3 52.7 1036 228 D K H > S+ 0 0 35 -164,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.929 111.9 46.0 -64.0 -45.2 -12.7 58.3 54.3 1037 229 D L H >> S+ 0 0 11 -3,-0.3 4,-1.5 1,-0.2 3,-0.5 0.924 112.0 51.7 -59.3 -45.5 -11.6 60.5 51.4 1038 230 D L H 3X S+ 0 0 4 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.873 105.5 56.0 -61.2 -35.7 -12.8 57.7 49.0 1039 231 D K H 3< S+ 0 0 84 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.777 100.1 59.2 -70.0 -27.7 -16.2 57.6 50.8 1040 232 D M H << S+ 0 0 57 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.964 115.0 35.1 -60.6 -50.3 -16.7 61.3 50.1 1041 233 D F H < S+ 0 0 81 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.711 131.2 33.9 -75.2 -21.7 -16.4 60.6 46.4 1042 234 D L >< + 0 0 22 -4,-1.7 3,-1.6 -5,-0.2 -1,-0.2 -0.499 68.8 159.0-133.6 59.9 -18.2 57.2 46.6 1043 235 D P T 3 + 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.713 70.0 62.3 -68.3 -26.8 -20.8 57.6 49.5 1044 236 D H T 3 S+ 0 0 145 2,-0.0 2,-0.3 0, 0.0 -5,-0.1 0.712 87.0 88.4 -62.4 -26.2 -22.9 54.7 48.3 1045 237 D L < - 0 0 51 -3,-1.6 -3,-0.1 1,-0.1 0, 0.0 -0.590 67.0-150.1 -83.4 140.6 -20.1 52.2 48.8 1046 238 D E S S+ 0 0 169 -2,-0.3 -1,-0.1 1,-0.3 -7,-0.1 0.897 90.1 3.0 -76.4 -42.5 -19.7 50.6 52.3 1047 239 D N S S- 0 0 97 -9,-0.0 -1,-0.3 -8,-0.0 -12,-0.0 -0.659 81.1-149.5-142.9 82.8 -15.9 50.1 52.2 1048 240 D P - 0 0 7 0, 0.0 2,-0.2 0, 0.0 -9,-0.1 -0.293 18.2-148.9 -58.7 133.4 -14.5 51.5 49.0 1049 241 D T > - 0 0 60 -11,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.471 29.0-100.3 -96.1 174.9 -11.4 49.5 47.9 1050 242 D R H > S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.823 126.0 55.7 -59.5 -35.4 -8.2 50.5 46.1 1051 243 D E H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 105.5 49.3 -70.2 -37.9 -9.9 49.0 43.0 1052 244 D D H > S+ 0 0 39 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.886 110.2 53.7 -61.2 -36.9 -12.9 51.3 43.4 1053 245 D A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.4 0.944 107.0 50.2 -62.6 -49.5 -10.3 54.1 43.7 1054 246 D A H X S+ 0 0 29 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.894 110.5 49.8 -51.4 -47.0 -8.7 53.1 40.4 1055 247 D E H < S+ 0 0 129 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.836 115.3 43.7 -65.3 -35.8 -12.1 53.1 38.7 1056 248 D L H >< S+ 0 0 37 -4,-1.8 3,-1.7 -5,-0.2 4,-0.4 0.984 118.2 39.8 -71.1 -58.5 -12.9 56.5 40.0 1057 249 D F H >X S+ 0 0 12 -4,-2.8 3,-1.9 1,-0.3 4,-1.1 0.807 102.2 70.5 -71.1 -29.0 -9.6 58.4 39.5 1058 250 D S T 3< S+ 0 0 52 -4,-2.1 -1,-0.3 -5,-0.4 7,-0.2 0.747 91.9 61.3 -51.7 -29.1 -9.0 56.8 36.1 1059 251 D Q T <4 S+ 0 0 145 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.739 102.4 52.9 -72.9 -20.7 -11.9 58.9 34.8 1060 252 D L T <4 S+ 0 0 50 -3,-1.9 -2,-0.2 -4,-0.4 42,-0.2 0.832 96.3 73.8 -84.5 -33.0 -9.9 62.0 35.7 1061 253 D T < - 0 0 11 -4,-1.1 37,-0.2 4,-0.3 36,-0.1 -0.517 61.3-155.2 -85.2 149.2 -6.6 61.2 33.9 1062 254 D L S S+ 0 0 28 35,-2.4 -873,-0.2 34,-0.2 36,-0.2 0.812 82.5 72.4 -85.9 -40.4 -6.2 61.5 30.1 1063 255 D L S S- 0 0 2 34,-2.2 2,-2.3 -803,-0.1 -876,-0.2 -0.399 106.3-101.4 -66.0 153.7 -3.2 59.0 30.2 1064 256 D P S S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 -0.383 87.3 106.9 -83.2 66.5 -4.4 55.4 30.9 1065 257 D I - 0 0 13 -2,-2.3 -4,-0.3 -7,-0.2 3,-0.1 -0.937 67.2-139.1-138.5 152.4 -3.4 55.4 34.6 1066 258 D P S S- 0 0 38 0, 0.0 2,-0.3 0, 0.0 -6,-0.1 0.749 84.0 -27.4 -85.4 -22.8 -5.3 55.6 37.8 1067 259 D W - 0 0 9 -9,-0.1 -40,-0.2 -42,-0.1 2,-0.1 -0.948 69.5 -95.8-175.8 162.5 -2.9 58.0 39.4 1068 260 D V B -f 1027 0L 0 -42,-2.5 -40,-2.1 -2,-0.3 27,-0.0 -0.456 41.2-113.3 -82.6 168.5 0.7 59.0 39.3 1069 261 D E > - 0 0 49 -42,-0.2 4,-1.1 -2,-0.1 3,-0.5 -0.632 22.0-113.6 -95.0 160.0 3.4 57.6 41.7 1070 262 D P H > S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 3,-0.5 0.894 118.2 62.4 -57.9 -33.2 5.2 59.5 44.4 1071 263 D E H > S+ 0 0 94 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.842 97.5 56.1 -61.0 -36.2 8.4 58.8 42.3 1072 264 D D H > S+ 0 0 5 -3,-0.5 4,-1.2 2,-0.2 -1,-0.3 0.885 109.2 45.9 -65.3 -36.3 6.9 60.8 39.4 1073 265 D V H X S+ 0 0 0 -4,-1.1 4,-2.0 -3,-0.5 3,-0.4 0.952 112.3 51.0 -68.5 -45.8 6.5 63.8 41.7 1074 266 D S H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.850 104.8 57.0 -62.5 -36.4 10.0 63.4 43.1 1075 267 D N H X S+ 0 0 19 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.892 106.7 48.8 -57.8 -43.7 11.5 63.2 39.6 1076 268 D A H X S+ 0 0 0 -4,-1.2 4,-2.4 -3,-0.4 -2,-0.2 0.906 111.7 50.0 -63.2 -43.8 9.9 66.6 38.7 1077 269 D V H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.937 111.6 47.7 -55.5 -49.0 11.4 68.0 42.0 1078 270 D A H X S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.869 111.4 51.0 -69.0 -34.2 14.9 66.6 41.2 1079 271 D W H >< S+ 0 0 8 -4,-2.4 3,-2.0 -5,-0.2 6,-0.5 0.965 108.3 51.5 -64.8 -44.8 14.7 68.0 37.6 1080 272 D L H 3< S+ 0 0 3 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.859 107.9 53.4 -62.0 -35.4 13.8 71.5 38.9 1081 273 D A H 3< S+ 0 0 2 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.625 98.7 86.5 -72.1 -12.4 16.7 71.4 41.3 1082 274 D S S X< S- 0 0 2 -3,-2.0 3,-1.9 -4,-0.5 -252,-0.1 -0.456 89.3-111.3 -93.3 166.4 19.2 70.6 38.5 1083 275 D D G > S+ 0 0 97 -254,-0.4 3,-1.4 1,-0.3 4,-0.2 0.703 113.6 71.6 -67.1 -19.1 21.2 72.8 36.0 1084 276 D E G 3 S+ 0 0 43 1,-0.3 -1,-0.3 -5,-0.1 3,-0.2 0.767 107.6 36.2 -63.0 -24.8 19.0 71.4 33.2 1085 277 D A G X S+ 0 0 2 -3,-1.9 3,-1.8 -6,-0.5 -1,-0.3 -0.035 80.2 131.1-115.2 24.0 16.2 73.5 34.8 1086 278 D R T < S+ 0 0 79 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.763 76.0 37.5 -59.3 -31.7 18.4 76.5 35.8 1087 279 D Y T 3 S+ 0 0 40 -4,-0.2 -817,-1.9 -3,-0.2 2,-0.6 0.263 82.5 116.2-107.6 12.2 16.1 79.3 34.3 1088 280 D I < + 0 0 3 -3,-1.8 2,-0.3 -820,-0.2 -820,-0.1 -0.765 41.2 159.1 -77.8 120.2 12.7 77.7 35.1 1089 281 D H + 0 0 2 -2,-0.6 -818,-0.5 -822,-0.1 -815,-0.3 -0.993 52.6 13.3-150.8 126.5 11.1 80.3 37.6 1090 282 D G S S+ 0 0 15 -71,-3.3 2,-0.2 -2,-0.3 -70,-0.2 0.617 87.5 142.5 85.3 10.9 7.5 81.0 38.6 1091 283 D A - 0 0 3 -72,-0.3 -70,-3.0 -824,-0.1 2,-0.5 -0.588 43.4-156.1 -90.8 143.7 6.2 77.8 37.1 1092 284 D A E -d 1021 0J 35 -2,-0.2 -70,-0.2 -72,-0.2 -90,-0.0 -0.955 18.3-163.3-115.9 101.9 3.4 75.4 38.3 1093 285 D I E -d 1022 0J 2 -72,-2.5 -70,-3.4 -2,-0.5 2,-0.2 -0.812 8.9-144.0 -98.8 111.9 4.1 72.0 36.8 1094 286 D P E -d 1023 0J 15 0, 0.0 2,-0.4 0, 0.0 -832,-0.2 -0.575 14.2-173.0 -73.3 136.8 1.2 69.5 36.9 1095 287 D V E +d 1024 0J 0 -72,-1.4 -70,-1.5 -2,-0.2 -27,-0.2 -0.854 50.6 113.4-124.5 80.1 2.2 65.9 37.4 1096 288 D D S > S- 0 0 1 -836,-0.5 3,-1.8 -2,-0.4 -70,-0.2 0.242 84.2-112.2-146.0 14.0 -1.4 64.6 36.9 1097 289 D G T 3 S- 0 0 0 -837,-1.9 -35,-2.4 1,-0.3 -34,-2.2 0.748 87.0 -48.6 49.5 28.2 -1.5 62.5 33.7 1098 290 D G T >> S+ 0 0 0 -836,-0.5 3,-0.9 -838,-0.3 4,-0.9 0.443 96.6 134.4 99.0 -0.8 -3.7 65.2 32.1 1099 291 D Q G X4 S+ 0 0 23 -3,-1.8 3,-1.1 1,-0.3 -2,-0.1 0.906 77.3 46.7 -49.9 -49.0 -6.3 65.8 34.8 1100 292 D L G 34 S+ 0 0 57 1,-0.2 -1,-0.3 -838,-0.2 -837,-0.1 0.745 113.9 48.5 -68.5 -24.1 -6.1 69.7 34.6 1101 293 D A G <4 S+ 0 0 6 -3,-0.9 -665,-0.4 -839,-0.3 -1,-0.2 0.516 79.2 126.5 -89.3 -7.6 -6.2 69.6 30.7 1102 294 D R << 0 0 64 -3,-1.1 -922,-0.1 -4,-0.9 -4,-0.0 -0.346 360.0 360.0 -61.4 125.2 -9.3 67.3 30.6 1103 295 D A 0 0 73 -924,-0.1 -1,-0.1 -923,-0.1 -666,-0.1 -0.378 360.0 360.0 -67.1 360.0 -12.0 68.9 28.4