==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-MAY-12 4FDP . COMPND 2 MOLECULE: OXIDOREDUCTASE DPRE1; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.M.BATT,G.S.BESRA,K.FUTTERER . 840 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 586 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 19.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 70 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 3 2 4 5 2 1 0 4 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 2 6 2 4 5 6 2 0 2 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 2 0 0 2 0 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 7 A T 0 0 116 0, 0.0 21,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -33.5 45.0 -0.8 -7.1 2 8 A T E -A 21 0A 61 19,-0.2 2,-0.5 64,-0.0 19,-0.2 -0.891 360.0-143.9-117.1 133.8 42.0 -2.2 -8.8 3 9 A T E -A 20 0A 97 17,-2.1 17,-3.9 -2,-0.4 2,-1.1 -0.796 19.7-125.4 -98.5 129.0 41.7 -5.5 -10.8 4 10 A A E +A 19 0A 68 -2,-0.5 2,-0.3 15,-0.3 15,-0.3 -0.580 46.9 176.4 -69.5 99.7 39.5 -5.8 -13.9 5 11 A T E -A 18 0A 50 13,-3.3 13,-2.9 -2,-1.1 2,-0.7 -0.804 34.9-128.1-115.5 149.8 37.3 -8.8 -12.8 6 12 A R E -A 17 0A 137 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.858 36.7-169.9 -95.9 112.1 34.4 -10.7 -14.3 7 13 A L E +A 16 0A 13 9,-2.5 9,-1.6 -2,-0.7 2,-0.3 -0.789 16.4 170.7-109.5 143.6 31.6 -10.8 -11.7 8 14 A T - 0 0 24 -2,-0.3 6,-0.1 7,-0.2 47,-0.1 -0.918 34.2-110.1-131.5 166.7 28.3 -12.7 -11.5 9 15 A G > - 0 0 9 4,-0.6 3,-1.1 45,-0.4 45,-0.3 -0.081 53.1 -82.4 -73.4-170.8 25.8 -13.1 -8.6 10 16 A W T 3 S+ 0 0 130 43,-2.8 44,-0.2 1,-0.2 45,-0.1 0.819 130.0 63.6 -66.3 -31.4 25.4 -16.5 -6.9 11 17 A G T 3 S- 0 0 14 43,-0.6 287,-0.3 42,-0.2 -1,-0.2 0.633 105.3-131.6 -69.3 -14.4 23.1 -17.6 -9.8 12 18 A R < + 0 0 136 -3,-1.1 2,-0.3 1,-0.2 -2,-0.1 0.995 62.1 111.6 59.8 73.0 26.0 -17.2 -12.2 13 19 A T + 0 0 62 41,-0.2 -4,-0.6 42,-0.1 -1,-0.2 -0.973 51.8 33.6-165.5 162.8 24.4 -15.2 -14.9 14 20 A A S S- 0 0 46 -2,-0.3 -1,-0.1 1,-0.1 2,-0.1 0.924 77.2-165.2 46.7 59.9 24.3 -11.8 -16.6 15 21 A P - 0 0 54 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.414 14.2-178.1 -79.6 147.3 28.1 -11.2 -16.1 16 22 A S E -A 7 0A 21 -9,-1.6 -9,-2.5 -2,-0.1 2,-0.5 -0.981 26.4-119.7-137.8 155.4 29.9 -7.9 -16.4 17 23 A V E +A 6 0A 83 -2,-0.3 45,-3.4 -11,-0.2 2,-0.3 -0.814 39.2 166.3 -94.2 129.7 33.5 -6.9 -16.1 18 24 A A E -A 5 0A 1 -13,-2.9 -13,-3.3 -2,-0.5 2,-0.8 -0.923 43.7-102.6-135.1 161.7 34.3 -4.3 -13.4 19 25 A N E -Ab 4 64A 67 44,-2.7 46,-2.8 -2,-0.3 2,-0.8 -0.802 40.2-153.1 -85.6 113.1 37.4 -2.9 -11.7 20 26 A V E -Ab 3 65A 17 -17,-3.9 -17,-2.1 -2,-0.8 2,-0.6 -0.801 7.2-161.2 -97.0 109.0 37.4 -4.6 -8.3 21 27 A L E -Ab 2 66A 4 44,-1.9 46,-1.9 -2,-0.8 2,-0.5 -0.775 11.4-178.4 -81.7 124.0 39.2 -2.7 -5.5 22 28 A R E + b 0 67A 143 -21,-0.6 46,-0.1 -2,-0.6 44,-0.1 -0.827 21.5 136.5-128.7 95.2 40.0 -5.1 -2.6 23 29 A T - 0 0 13 44,-0.6 48,-0.2 -2,-0.5 -2,-0.0 -0.998 50.7-147.8-142.2 140.6 41.6 -3.5 0.4 24 30 A P S S+ 0 0 95 0, 0.0 2,-0.8 0, 0.0 3,-0.1 0.472 76.5 103.2 -75.3 -4.4 41.4 -3.6 4.2 25 31 A D >> - 0 0 66 1,-0.2 4,-0.9 2,-0.0 3,-0.5 -0.729 56.1-165.3 -92.0 109.3 42.3 0.1 4.2 26 32 A A H 3> S+ 0 0 42 -2,-0.8 4,-2.2 1,-0.2 3,-0.2 0.803 90.1 57.7 -58.6 -32.3 39.3 2.3 4.9 27 33 A E H 3> S+ 0 0 142 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 103.2 52.2 -67.5 -38.2 41.3 5.3 3.7 28 34 A M H <> S+ 0 0 76 -3,-0.5 4,-0.9 2,-0.2 -1,-0.2 0.699 110.0 51.0 -68.5 -20.7 41.9 3.7 0.3 29 35 A I H X S+ 0 0 0 -4,-0.9 4,-1.8 -3,-0.2 -2,-0.2 0.881 109.1 47.9 -82.7 -42.6 38.2 3.1 0.1 30 36 A V H X S+ 0 0 38 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.864 113.5 50.8 -60.6 -35.8 37.2 6.7 0.8 31 37 A K H X S+ 0 0 102 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.787 105.6 53.4 -78.5 -26.5 39.8 7.8 -1.7 32 38 A A H X S+ 0 0 12 -4,-0.9 4,-0.9 2,-0.2 -1,-0.2 0.888 111.2 46.6 -71.6 -40.0 38.5 5.5 -4.5 33 39 A V H >X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 3,-0.6 0.904 112.0 50.6 -64.6 -43.2 35.0 7.0 -4.0 34 40 A A H 3X S+ 0 0 48 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.859 109.8 52.7 -57.4 -35.8 36.7 10.4 -4.0 35 41 A R H 3< S+ 0 0 98 -4,-1.5 4,-0.3 1,-0.2 -2,-0.2 0.630 110.9 44.7 -78.8 -17.4 38.3 9.1 -7.3 36 42 A V H << S+ 0 0 21 -4,-0.9 8,-0.2 -3,-0.6 -2,-0.2 0.758 109.8 57.6 -89.4 -29.7 35.0 8.2 -8.9 37 43 A A H < S+ 0 0 27 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.623 99.5 54.5 -79.7 -17.5 33.3 11.4 -7.8 38 44 A E S < S+ 0 0 123 -4,-0.8 2,-1.4 1,-0.2 -1,-0.2 0.772 94.3 70.2 -85.9 -25.9 35.7 13.9 -9.5 39 45 A S S S- 0 0 70 -4,-0.3 2,-0.8 1,-0.2 3,-0.2 -0.190 119.7-105.0 -79.0 45.5 35.2 12.2 -12.9 40 46 A G S S- 0 0 37 -2,-1.4 -1,-0.2 -3,-0.3 373,-0.1 -0.590 70.5 -54.9 63.2-108.9 31.7 13.6 -12.9 41 47 A G S > S+ 0 0 14 -2,-0.8 3,-1.8 -3,-0.1 -1,-0.2 0.535 75.5 176.3-123.8 -35.4 29.9 10.4 -12.1 42 48 A G T 3 S- 0 0 68 1,-0.3 3,-0.1 -3,-0.2 21,-0.1 -0.359 72.7 -36.2 61.6-142.2 31.2 8.2 -14.9 43 49 A R T 3 S- 0 0 128 19,-0.2 -1,-0.3 1,-0.2 374,-0.1 0.158 93.9-150.7 -96.6 18.9 29.8 4.6 -14.5 44 50 A G < - 0 0 3 -3,-1.8 20,-2.2 -8,-0.2 2,-0.3 0.200 11.8 -77.5 54.8-162.4 30.1 5.1 -10.7 45 51 A A E -cd 64 416A 1 370,-2.9 372,-1.7 18,-0.2 2,-0.3 -0.952 26.9-164.1-139.8 156.3 30.7 2.5 -8.0 46 52 A I E -c 65 0A 1 18,-1.9 20,-2.0 -2,-0.3 14,-0.1 -0.987 22.3-123.5-143.7 135.0 29.0 -0.2 -6.0 47 53 A A E -c 66 0A 24 -2,-0.3 2,-0.3 126,-0.3 20,-0.2 -0.334 25.4-161.3 -66.9 153.8 29.9 -2.1 -2.8 48 54 A R E -c 67 0A 40 18,-2.1 20,-2.7 1,-0.1 21,-0.3 -0.998 9.6-177.8-137.9 139.6 30.1 -5.9 -2.9 49 55 A G - 0 0 15 -2,-0.3 20,-0.3 18,-0.2 40,-0.1 0.318 68.2 -36.4-103.8-126.0 30.0 -8.4 0.0 50 56 A L S S- 0 0 48 18,-0.1 17,-0.0 17,-0.1 64,-0.0 0.341 80.1-118.7 -82.5 7.7 30.4 -12.2 -0.1 51 57 A G + 0 0 12 1,-0.1 64,-0.1 -44,-0.0 -43,-0.1 0.844 68.3 138.8 60.0 38.7 28.4 -12.2 -3.5 52 58 A R + 0 0 74 -43,-0.1 2,-0.1 62,-0.1 -1,-0.1 0.628 35.3 104.2 -90.5 -13.8 25.5 -14.3 -2.2 53 59 A S - 0 0 27 1,-0.1 -43,-2.8 -43,-0.1 -42,-0.2 -0.470 67.5-144.6 -60.4 137.4 22.8 -12.3 -3.9 54 60 A Y S S+ 0 0 56 329,-2.9 -43,-0.6 -45,-0.3 -45,-0.4 0.795 75.5 60.2 -74.6 -27.6 21.6 -14.2 -7.0 55 61 A G S S- 0 0 4 328,-0.7 3,-0.2 327,-0.3 331,-0.2 0.359 99.2 -84.7 -87.8-148.0 21.1 -11.1 -9.0 56 62 A D S > S+ 0 0 9 329,-0.8 364,-1.5 326,-0.2 3,-0.8 0.088 84.4 107.5-116.4 20.8 23.1 -8.2 -10.4 57 63 A N T 3 S+ 0 0 11 1,-0.2 -1,-0.2 325,-0.2 364,-0.1 0.747 79.7 50.2 -74.3 -23.7 23.0 -5.7 -7.4 58 64 A A T 3 S+ 0 0 17 -3,-0.2 2,-0.3 -5,-0.1 -1,-0.2 -0.239 100.1 75.9-109.4 41.3 26.7 -6.2 -6.5 59 65 A Q < - 0 0 0 -3,-0.8 360,-2.3 -14,-0.1 361,-0.4 -0.988 52.8-166.6-144.9 155.4 28.2 -5.7 -9.9 60 66 A N > - 0 0 0 -2,-0.3 3,-2.6 358,-0.3 -41,-0.3 -0.699 21.4-138.3-145.6 85.4 28.9 -2.6 -12.0 61 67 A G T 3 S- 0 0 10 1,-0.3 -43,-0.2 -2,-0.2 3,-0.1 -0.178 89.4 -1.8 -46.6 121.3 29.8 -3.3 -15.7 62 68 A G T 3 S+ 0 0 53 -45,-3.4 -1,-0.3 1,-0.3 -19,-0.2 0.695 123.1 86.6 66.5 20.1 32.6 -1.0 -16.8 63 69 A G S < S- 0 0 7 -3,-2.6 -44,-2.7 -46,-0.3 2,-0.4 -0.629 86.3 -70.8-129.6-167.0 32.6 0.7 -13.4 64 70 A L E -bc 19 45A 20 -20,-2.2 -18,-1.9 -2,-0.2 2,-0.5 -0.781 34.3-169.1 -94.8 132.5 34.2 0.2 -10.0 65 71 A V E -bc 20 46A 0 -46,-2.8 -44,-1.9 -2,-0.4 2,-0.8 -0.987 11.8-150.9-115.9 123.4 33.2 -2.6 -7.6 66 72 A I E -bc 21 47A 0 -20,-2.0 -18,-2.1 -2,-0.5 2,-0.5 -0.815 6.5-147.5-100.9 103.0 34.5 -2.3 -4.0 67 73 A D E -bc 22 48A 20 -46,-1.9 -44,-0.6 -2,-0.8 -18,-0.2 -0.566 14.9-174.1 -67.0 116.5 35.0 -5.7 -2.3 68 74 A M > + 0 0 8 -20,-2.7 3,-1.4 -2,-0.5 21,-0.2 0.488 55.5 97.9 -94.7 -6.8 34.2 -5.0 1.4 69 75 A T T 3 S+ 0 0 20 -21,-0.3 -1,-0.2 -20,-0.3 22,-0.1 0.726 75.0 61.2 -60.7 -27.0 35.2 -8.4 2.8 70 76 A P T 3 S+ 0 0 23 0, 0.0 2,-2.1 0, 0.0 -1,-0.3 0.814 87.8 77.4 -70.2 -22.3 38.7 -7.4 4.0 71 77 A L < + 0 0 11 -3,-1.4 18,-1.9 -48,-0.2 19,-0.4 -0.499 62.5 134.1 -79.1 74.1 37.0 -4.8 6.2 72 78 A N + 0 0 75 -2,-2.1 2,-0.5 17,-0.3 -1,-0.2 -0.086 17.3 140.8-126.7 36.3 36.1 -7.5 8.7 73 79 A T - 0 0 57 17,-0.1 14,-2.6 13,-0.0 2,-0.7 -0.687 41.6-148.1 -81.9 124.1 37.0 -6.2 12.2 74 80 A I E -E 86 0B 3 -2,-0.5 12,-0.2 455,-0.4 433,-0.2 -0.835 17.6-173.8 -79.3 116.9 34.7 -6.9 15.2 75 81 A H E - 0 0 14 10,-2.7 432,-2.4 -2,-0.7 433,-0.7 0.910 56.5 -18.1 -83.5 -46.4 35.3 -3.8 17.3 76 82 A S E -EF 85 506B 28 9,-1.3 9,-2.5 430,-0.2 2,-0.4 -0.986 43.4-159.6-158.9 150.9 33.3 -4.7 20.4 77 83 A I E -EF 84 505B 0 428,-1.7 428,-1.6 -2,-0.3 2,-0.5 -0.993 14.2-170.1-128.8 129.9 30.7 -6.9 21.8 78 84 A D E >> -EF 83 504B 41 5,-2.3 4,-1.0 -2,-0.4 5,-0.7 -0.969 12.1-167.0-122.8 116.6 28.9 -5.8 25.0 79 85 A A T 45S+ 0 0 21 424,-2.9 425,-0.1 -2,-0.5 -1,-0.1 0.681 88.7 55.8 -75.5 -18.4 26.6 -8.3 26.8 80 86 A D T 45S+ 0 0 86 423,-0.7 -1,-0.2 1,-0.1 424,-0.1 0.891 119.9 28.7 -80.5 -41.8 25.1 -5.6 29.0 81 87 A T T 45S- 0 0 69 2,-0.1 -2,-0.2 103,-0.0 -1,-0.1 0.530 99.5-133.3 -90.4 -8.2 24.0 -3.3 26.2 82 88 A K T <5 + 0 0 60 -4,-1.0 103,-3.3 1,-0.2 2,-0.4 0.667 59.3 142.3 60.5 19.2 23.5 -6.3 23.7 83 89 A L E < -EG 78 184B 55 -5,-0.7 -5,-2.3 101,-0.2 2,-0.4 -0.746 36.2-168.1 -98.4 137.2 25.4 -4.1 21.2 84 90 A V E -EG 77 183B 1 99,-2.4 99,-1.9 -2,-0.4 2,-0.6 -0.954 6.7-159.0-115.4 141.9 28.0 -5.3 18.6 85 91 A D E +EG 76 182B 32 -9,-2.5 -10,-2.7 -2,-0.4 -9,-1.3 -0.961 28.8 162.3-121.9 107.0 30.1 -2.8 16.7 86 92 A I E -EG 74 181B 0 95,-2.2 95,-2.1 -2,-0.6 -12,-0.2 -0.933 42.0-106.8-132.8 151.6 31.4 -4.3 13.5 87 93 A D E > - G 0 180B 17 -14,-2.6 3,-1.4 -2,-0.3 93,-0.3 -0.370 40.3-113.1 -65.0 154.8 32.9 -3.5 10.2 88 94 A A T 3 S+ 0 0 3 91,-2.5 30,-2.2 1,-0.3 29,-0.5 0.762 111.8 62.3 -66.5 -22.5 30.6 -3.9 7.2 89 95 A G T 3 S+ 0 0 3 -18,-1.9 -1,-0.3 90,-0.3 -17,-0.3 0.551 74.5 107.3 -85.0 -8.8 32.7 -6.8 5.9 90 96 A V < - 0 0 0 -3,-1.4 27,-2.2 -19,-0.4 28,-0.2 -0.457 66.2-134.6 -65.7 141.2 32.2 -9.1 8.8 91 97 A N B > -N 116 0C 28 25,-0.2 4,-2.5 -19,-0.1 25,-0.2 -0.612 16.4-112.2 -97.8 166.5 29.9 -12.0 8.0 92 98 A L H > S+ 0 0 0 23,-2.0 4,-2.1 21,-0.6 22,-0.2 0.709 115.2 54.7 -72.3 -24.1 27.1 -13.4 10.0 93 99 A D H > S+ 0 0 32 20,-1.4 4,-2.2 22,-0.2 -1,-0.2 0.921 110.8 46.0 -70.3 -47.7 28.8 -16.7 10.7 94 100 A Q H > S+ 0 0 47 19,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.937 115.3 47.7 -57.0 -49.6 31.8 -14.9 12.1 95 101 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.890 110.4 50.8 -60.3 -43.6 29.5 -12.6 14.1 96 102 A M H X S+ 0 0 3 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.884 111.4 48.3 -65.6 -38.5 27.5 -15.5 15.5 97 103 A K H < S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.902 114.8 44.8 -63.5 -46.8 30.6 -17.4 16.6 98 104 A A H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.851 115.5 47.0 -67.9 -36.2 32.0 -14.3 18.3 99 105 A A H ><>S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 5,-1.3 0.740 90.4 80.0 -84.4 -27.2 28.8 -13.3 20.0 100 106 A L G ><5S+ 0 0 5 -4,-1.5 3,-2.7 1,-0.3 4,-0.2 0.884 86.4 57.0 -48.7 -48.2 27.7 -16.7 21.4 101 107 A P G 3 5S+ 0 0 47 0, 0.0 401,-0.4 0, 0.0 -1,-0.3 0.682 102.6 58.4 -64.0 -12.8 30.0 -16.6 24.5 102 108 A F G < 5S- 0 0 12 -3,-1.7 -2,-0.2 2,-0.2 3,-0.1 0.304 121.2-109.3 -90.9 5.9 28.4 -13.3 25.5 103 109 A G T < 5S+ 0 0 14 -3,-2.7 85,-2.3 1,-0.2 2,-0.4 0.899 76.6 139.3 62.0 39.3 25.0 -15.0 25.5 104 110 A L E < -O 187 0D 3 -5,-1.3 2,-0.4 83,-0.2 -1,-0.2 -0.961 38.5-159.6-122.5 136.2 24.1 -13.0 22.4 105 111 A W E -O 186 0D 1 81,-3.2 81,-2.8 -2,-0.4 -9,-0.1 -0.932 30.5-110.1-116.5 131.6 22.2 -14.2 19.3 106 112 A V - 0 0 0 -2,-0.4 3,-0.1 79,-0.2 79,-0.1 -0.437 32.2-139.5 -56.0 120.6 22.3 -12.7 15.8 107 113 A P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.764 83.9 28.7 -69.5 -25.4 18.8 -11.2 15.6 108 114 A V - 0 0 0 18,-0.1 17,-0.1 28,-0.1 27,-0.1 -0.955 67.3-175.9-134.3 116.5 18.1 -12.2 11.9 109 115 A L - 0 0 2 -2,-0.4 19,-0.7 -3,-0.1 20,-0.2 -0.953 10.0-158.1-111.6 121.2 19.7 -15.2 10.3 110 116 A P - 0 0 20 0, 0.0 17,-0.1 0, 0.0 5,-0.1 -0.161 44.0 -80.8 -80.9-175.7 19.1 -15.9 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75.8-105.8-157.0 163.9 74.6 -30.5 31.3 631 209 B L H > S+ 0 0 15 31,-2.0 4,-2.6 29,-0.6 5,-0.2 0.888 120.6 56.0 -60.2 -41.6 73.2 -28.1 33.9 632 210 B D H > S+ 0 0 97 30,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 108.3 47.7 -57.3 -42.9 76.1 -25.7 33.2 633 211 B E H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.915 110.0 52.6 -65.2 -43.0 75.1 -25.7 29.5 634 212 B T H X S+ 0 0 0 -4,-2.3 4,-1.4 29,-0.2 -2,-0.2 0.922 110.0 47.8 -57.1 -47.6 71.4 -25.1 30.4 635 213 B I H X S+ 0 0 14 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.890 111.1 51.2 -62.2 -40.3 72.3 -22.1 32.6 636 214 B A H >X S+ 0 0 54 -4,-1.9 4,-1.0 1,-0.2 3,-0.7 0.875 104.1 57.0 -66.6 -39.1 74.5 -20.6 29.9 637 215 B L H 3< S+ 0 0 31 -4,-2.2 5,-0.4 1,-0.3 6,-0.3 0.862 111.2 43.9 -61.0 -35.8 71.8 -20.9 27.2 638 216 B H H 3< S+ 0 0 7 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.560 117.8 45.9 -84.1 -10.7 69.6 -18.8 29.4 639 217 B S H << S+ 0 0 76 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.420 90.0 83.5-107.8 -0.7 72.4 -16.4 30.2 640 218 B D S < S- 0 0 98 -4,-1.0 -1,-0.1 -3,-0.3 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23.3-109.4-103.6 162.4 55.6 -22.2 58.6 808 424 B A H > S+ 0 0 4 33,-0.6 4,-3.1 -2,-0.2 5,-0.2 0.902 118.5 53.1 -53.2 -41.2 54.8 -18.6 59.3 809 425 B E H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.921 109.1 45.9 -66.5 -47.5 58.5 -17.9 60.0 810 426 B T H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.954 116.5 46.2 -57.9 -48.8 59.8 -19.4 56.8 811 427 B F H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.935 112.2 49.6 -58.4 -50.3 57.1 -17.6 54.7 812 428 B H H < S+ 0 0 50 -4,-3.1 6,-0.3 1,-0.2 -1,-0.2 0.840 113.4 47.1 -60.8 -35.4 57.7 -14.2 56.5 813 429 B A H < S+ 0 0 62 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.863 111.5 51.5 -71.7 -36.7 61.4 -14.6 55.9 814 430 B M H < S+ 0 0 9 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.838 116.2 41.1 -67.6 -32.0 60.8 -15.5 52.3 815 431 B Y >< - 0 0 1 -4,-2.2 3,-2.1 -5,-0.2 -1,-0.2 -0.801 66.1-178.5-122.0 87.8 58.6 -12.4 51.8 816 432 B P T 3 S+ 0 0 105 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.640 80.6 60.8 -69.2 -11.8 60.1 -9.4 53.5 817 433 B R T 3> S+ 0 0 80 -57,-0.4 4,-2.4 1,-0.2 3,-0.2 0.292 72.8 105.4 -91.6 8.5 57.2 -7.1 52.5 818 434 B V H <> S+ 0 0 1 -3,-2.1 4,-2.9 -6,-0.3 -1,-0.2 0.847 76.6 51.5 -59.5 -36.4 54.7 -9.3 54.4 819 435 B D H > S+ 0 0 109 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.885 108.8 50.3 -70.7 -37.8 54.4 -6.8 57.2 820 436 B E H > S+ 0 0 74 -4,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.932 113.2 48.1 -60.9 -44.8 53.6 -4.0 54.8 821 437 B W H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.931 108.3 53.6 -57.9 -50.2 51.0 -6.3 53.2 822 438 B I H X S+ 0 0 10 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.865 105.9 52.9 -57.6 -38.8 49.5 -7.2 56.6 823 439 B S H X S+ 0 0 61 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.946 109.6 47.9 -62.7 -48.0 49.0 -3.5 57.5 824 440 B V H X S+ 0 0 8 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.916 111.3 54.1 -55.6 -43.2 47.1 -2.9 54.3 825 441 B R H >X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 3,-0.7 0.901 108.6 44.7 -58.8 -47.9 45.1 -6.0 55.1 826 442 B R H 3< S+ 0 0 104 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.708 105.9 62.6 -74.2 -19.6 44.0 -5.0 58.6 827 443 B K H 3< S+ 0 0 146 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.777 116.7 30.7 -68.4 -27.4 43.1 -1.5 57.2 828 444 B V H << S+ 0 0 21 -4,-0.9 -252,-0.6 -3,-0.7 -251,-0.3 0.642 133.6 28.5-109.1 -22.3 40.6 -3.2 55.0 829 445 B D >< + 0 0 1 -4,-2.2 3,-1.3 -5,-0.2 -1,-0.2 -0.492 62.7 157.6-138.0 68.1 39.5 -6.2 57.1 830 446 B P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.879 78.0 50.1 -56.5 -40.3 40.0 -5.3 60.8 831 447 B L T 3 S- 0 0 108 1,-0.0 -5,-0.1 -5,-0.0 -2,-0.0 0.324 109.1-118.8 -86.3 6.3 37.5 -8.0 62.0 832 448 B R < + 0 0 107 -3,-1.3 -359,-0.1 13,-0.1 -6,-0.0 0.909 54.9 158.5 56.0 45.7 39.0 -10.8 60.0 833 449 B V + 0 0 1 -361,-0.1 -360,-1.3 1,-0.1 2,-0.5 0.861 64.9 57.9 -65.1 -35.0 35.8 -11.3 58.0 834 450 B F B S+z 473 0F 1 -362,-0.3 2,-0.3 -232,-0.2 -360,-0.2 -0.860 73.4 148.1-100.0 127.6 37.9 -13.0 55.4 835 451 B A + 0 0 4 -362,-0.8 2,-0.3 -2,-0.5 -343,-0.1 -0.994 17.8 177.3-156.1 155.1 40.0 -16.1 56.5 836 452 B S > - 0 0 0 -2,-0.3 4,-1.6 1,-0.1 -348,-0.3 -0.922 46.9 -97.7-149.5 172.0 41.3 -19.4 55.3 837 453 B D H > S+ 0 0 31 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