==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-MAY-09 2WJ4 . COMPND 2 MOLECULE: 1H-3-HYDROXY-4-OXOQUINALDINE 2,4-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER NITROGUAJACOLICUS; . AUTHOR R.A.STEINER . 1093 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 737 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 4.0 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 . 4 0.4 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 . 51 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 415 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.2 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 4 4 4 0 1 3 0 8 1 6 5 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 4 8 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 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 2 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 2 A T > 0 0 72 0, 0.0 3,-0.8 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 -19.3 25.7 62.5 25.3 2 3 A D G > + 0 0 97 1,-0.2 3,-0.8 2,-0.1 38,-0.0 0.359 360.0 88.6 -87.1 3.0 26.5 63.4 21.7 3 4 A T G 3 S+ 0 0 114 1,-0.2 -1,-0.2 15,-0.0 15,-0.0 0.594 91.0 48.3 -62.2 -11.9 28.4 60.0 21.7 4 5 A Y G < S+ 0 0 44 -3,-0.8 15,-1.9 2,-0.1 2,-0.4 0.228 79.9 120.5-114.9 6.6 24.9 58.7 20.6 5 6 A L E < +A 18 0A 47 -3,-0.8 2,-0.3 13,-0.2 13,-0.2 -0.639 34.9 170.4 -85.4 130.3 23.8 61.1 17.8 6 7 A H E -A 17 0A 57 11,-3.4 11,-2.1 -2,-0.4 2,-0.3 -0.799 21.3-144.0-128.8 173.6 23.2 59.5 14.4 7 8 A E E +A 16 0A 131 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.995 19.9 168.6-138.4 144.1 21.7 60.5 11.0 8 9 A T E -A 15 0A 30 7,-2.5 7,-3.3 -2,-0.3 2,-0.3 -0.992 38.6-106.5-153.3 151.5 19.6 58.6 8.5 9 10 A L E -A 14 0A 107 -2,-0.3 2,-0.5 5,-0.3 5,-0.3 -0.612 34.2-172.2 -74.3 129.7 17.5 59.2 5.3 10 11 A V E > -A 13 0A 0 3,-3.5 3,-2.4 -2,-0.3 2,-0.1 -0.950 60.7 -58.1-130.6 106.8 13.8 58.9 6.2 11 12 A F T 3 S- 0 0 117 -2,-0.5 -1,-0.0 1,-0.3 70,-0.0 -0.410 127.4 -10.5 48.0-114.2 11.7 58.9 3.2 12 13 A D T 3 S+ 0 0 151 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.630 126.9 66.1 -84.7 -13.5 12.7 62.3 1.7 13 14 A N E < S-A 10 0A 32 -3,-2.4 -3,-3.5 -5,-0.0 2,-0.6 -0.849 71.6-127.7-122.2 143.7 14.7 63.7 4.5 14 15 A K E -A 9 0A 153 -2,-0.4 2,-0.4 -5,-0.3 -5,-0.3 -0.778 37.2-171.3 -80.9 122.2 17.9 63.1 6.5 15 16 A L E -A 8 0A 3 -7,-3.3 -7,-2.5 -2,-0.6 2,-0.2 -0.935 14.8-141.6-116.8 137.2 16.9 63.1 10.1 16 17 A S E +A 7 0A 18 47,-0.4 43,-2.4 -2,-0.4 2,-0.3 -0.604 26.6 172.1 -87.6 159.4 19.2 63.0 13.1 17 18 A Y E -AB 6 58A 21 -11,-2.1 -11,-3.4 41,-0.2 2,-0.4 -0.974 31.6-118.0-161.8 153.0 18.3 60.9 16.1 18 19 A I E +AB 5 57A 1 39,-2.3 39,-2.0 -2,-0.3 2,-0.2 -0.797 33.7 165.6 -90.3 142.1 19.8 59.8 19.4 19 20 A D E - B 0 56A 1 -15,-1.9 37,-0.2 -2,-0.4 -2,-0.1 -0.769 23.5-169.2-156.8 111.5 20.2 56.0 20.0 20 21 A N - 0 0 7 35,-1.6 36,-0.1 -2,-0.2 -15,-0.1 0.498 31.2-143.5 -77.4 -6.3 22.4 54.7 22.8 21 22 A Q + 0 0 119 34,-0.3 2,-0.1 1,-0.2 33,-0.1 0.741 29.7 179.7 52.6 27.6 22.1 51.2 21.1 22 23 A R - 0 0 75 31,-0.2 2,-0.9 33,-0.1 -1,-0.2 -0.418 26.3-136.1 -63.0 126.0 21.9 49.6 24.6 23 24 A D + 0 0 162 -2,-0.1 2,-0.3 30,-0.1 -1,-0.1 -0.810 58.8 111.7 -83.9 106.2 21.5 45.8 24.2 24 25 A T - 0 0 56 -2,-0.9 2,-0.2 0, 0.0 29,-0.1 -0.944 70.0 -61.9-162.4 178.9 18.9 45.0 26.8 25 26 A D - 0 0 118 -2,-0.3 29,-0.2 27,-0.1 247,-0.1 -0.524 70.0 -72.8 -78.8 144.9 15.4 43.9 27.4 26 27 A G S S+ 0 0 43 -2,-0.2 68,-0.1 27,-0.1 -1,-0.1 0.058 83.0 79.9 -65.3 176.9 12.5 46.0 26.1 27 28 A P - 0 0 3 0, 0.0 27,-0.3 0, 0.0 67,-0.3 0.594 61.3-141.6 -79.8 157.8 10.7 48.2 25.9 28 29 A A E -c 94 0A 10 65,-2.2 67,-2.8 25,-0.1 2,-0.7 -0.583 19.3-125.6 -69.9 142.4 12.8 50.8 24.1 29 30 A I E -cd 95 55A 0 25,-2.9 27,-2.5 -2,-0.2 2,-0.7 -0.871 22.0-162.6 -96.5 114.3 12.2 54.3 25.5 30 31 A L E -cd 96 56A 2 65,-1.9 67,-3.2 -2,-0.7 2,-0.5 -0.895 3.1-160.9-102.3 105.5 11.2 56.7 22.7 31 32 A L E -c 97 0A 0 25,-2.6 67,-0.2 -2,-0.7 11,-0.1 -0.793 7.7-158.3 -93.2 121.7 11.7 60.3 23.8 32 33 A L E -c 98 0A 0 65,-3.2 67,-1.7 -2,-0.5 70,-0.2 -0.910 5.4-142.7-110.0 118.0 9.7 62.7 21.6 33 34 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.441 14.0-126.8 -73.8 153.3 10.7 66.4 21.4 34 35 A G > - 0 0 2 1,-0.2 3,-0.6 4,-0.1 2,-0.3 0.090 53.4 -49.7 -73.5-164.6 8.2 69.2 21.0 35 36 A W T 3 S+ 0 0 19 1,-0.2 -1,-0.2 152,-0.1 3,-0.1 -0.576 115.1 5.6 -78.5 133.5 8.3 71.9 18.3 36 37 A a T 3 S+ 0 0 0 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.799 111.3 79.7 67.7 31.3 11.4 73.8 17.4 37 38 A H < - 0 0 2 -3,-0.6 23,-0.3 3,-0.0 -1,-0.2 -0.939 60.6-150.1-147.7-179.4 13.8 72.1 19.6 38 39 A D > - 0 0 0 -2,-0.3 3,-2.3 137,-0.1 4,-0.2 -0.616 46.1 -55.7-137.5-172.0 15.7 68.8 19.5 39 40 A H G > S+ 0 0 8 1,-0.3 3,-2.1 -2,-0.2 4,-0.3 0.630 111.4 81.4 -47.5 -28.3 17.3 66.0 21.5 40 41 A R G > S+ 0 0 40 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.812 81.9 66.2 -48.3 -33.4 19.4 68.4 23.6 41 42 A V G < S+ 0 0 0 -3,-2.3 3,-0.3 1,-0.3 -1,-0.3 0.779 103.2 48.0 -60.2 -22.8 16.2 68.9 25.7 42 43 A Y G <> S+ 0 0 0 -3,-2.1 4,-3.0 -4,-0.2 3,-0.3 0.483 76.0 108.0 -99.5 3.4 16.6 65.3 26.7 43 44 A K H <> S+ 0 0 54 -3,-1.5 4,-1.0 -4,-0.3 -1,-0.2 0.743 84.8 42.0 -58.9 -30.7 20.3 65.3 27.6 44 45 A Y H > S+ 0 0 50 -3,-0.3 4,-1.1 -4,-0.3 -1,-0.2 0.865 115.8 48.3 -82.1 -37.2 19.7 65.1 31.4 45 46 A L H >> S+ 0 0 0 -3,-0.3 4,-1.6 208,-0.3 3,-0.8 0.940 106.3 58.0 -64.8 -45.8 16.9 62.5 31.1 46 47 A I H 3X S+ 0 0 3 -4,-3.0 4,-1.6 1,-0.3 3,-0.4 0.899 104.9 52.4 -53.4 -42.0 19.0 60.4 28.8 47 48 A Q H 3< S+ 0 0 127 -4,-1.0 4,-0.4 -5,-0.2 -1,-0.3 0.811 107.0 51.6 -60.3 -39.0 21.7 60.2 31.5 48 49 A E H << S+ 0 0 74 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.813 121.9 31.6 -66.2 -31.7 19.1 59.0 34.0 49 50 A L H >X S+ 0 0 0 -4,-1.6 4,-1.3 -3,-0.4 3,-0.7 0.516 93.4 94.1-104.6 -9.6 17.9 56.2 31.7 50 51 A D T 3< S+ 0 0 33 -4,-1.6 3,-0.3 1,-0.2 -3,-0.1 0.858 81.4 52.2 -59.1 -48.6 21.1 55.3 29.8 51 52 A A T 34 S+ 0 0 76 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.810 120.8 28.8 -57.9 -34.2 22.4 52.5 32.0 52 53 A D T <4 S+ 0 0 85 -3,-0.7 2,-0.3 -4,-0.1 -1,-0.2 0.453 114.9 43.1-114.4 -6.2 19.2 50.4 31.9 53 54 A F S < S- 0 0 6 -4,-1.3 2,-0.5 -3,-0.3 -31,-0.2 -0.944 73.7-111.6-142.4 155.0 17.3 51.1 28.7 54 55 A R - 0 0 56 -27,-0.3 -25,-2.9 -2,-0.3 2,-0.5 -0.847 41.5-161.6 -83.0 129.1 17.7 51.5 25.0 55 56 A V E - d 0 29A 0 -2,-0.5 -35,-1.6 -27,-0.2 2,-0.4 -0.974 11.8-177.7-123.0 120.9 16.9 55.2 24.5 56 57 A I E -Bd 19 30A 2 -27,-2.5 -25,-2.6 -2,-0.5 -37,-0.2 -0.972 4.3-177.6-118.5 134.2 15.9 56.7 21.0 57 58 A V E -B 18 0A 0 -39,-2.0 -39,-2.3 -2,-0.4 2,-0.3 -0.902 10.8-160.5-131.1 104.1 15.2 60.4 20.3 58 59 A P E -B 17 0A 2 0, 0.0 2,-0.4 0, 0.0 -41,-0.2 -0.671 9.1-142.4 -81.1 140.4 14.2 61.3 16.8 59 60 A N - 0 0 0 -43,-2.4 3,-0.1 -2,-0.3 -43,-0.1 -0.878 23.8-120.3 -98.2 135.1 14.5 64.9 15.6 60 61 A W > - 0 0 1 -2,-0.4 3,-2.4 -23,-0.3 -44,-0.2 -0.057 45.1 -67.0 -70.2 166.3 11.8 66.2 13.3 61 62 A R T 3 S+ 0 0 41 1,-0.3 -1,-0.2 -46,-0.1 9,-0.1 -0.324 125.6 12.0 -55.4 132.6 12.2 67.4 9.8 62 63 A G T 3 S+ 0 0 17 1,-0.3 6,-2.0 7,-0.1 -1,-0.3 0.321 108.3 111.0 79.0 -2.7 14.2 70.6 9.8 63 64 A H < + 0 0 12 -3,-2.4 -47,-0.4 4,-0.2 2,-0.3 -0.700 39.3 74.1-102.8 151.2 15.2 70.1 13.5 64 65 A G S S- 0 0 3 -2,-0.3 -26,-0.1 1,-0.1 -4,-0.0 -0.921 97.5 -42.2 143.3-169.1 18.6 69.3 14.9 65 66 A L S S+ 0 0 69 1,-0.3 -1,-0.1 -2,-0.3 113,-0.1 0.805 138.5 36.5 -62.2 -28.0 21.9 70.9 15.6 66 67 A S S S- 0 0 104 -3,-0.1 -1,-0.3 2,-0.0 -4,-0.1 -0.800 88.7-155.6-125.3 86.3 21.6 72.6 12.2 67 68 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.149 14.3-172.3 -59.1 154.0 18.0 73.5 11.6 68 69 A S - 0 0 75 -6,-2.0 2,-0.2 112,-0.1 -2,-0.0 -0.996 29.9-100.4-146.4 154.7 16.8 73.9 8.1 69 70 A E + 0 0 161 -2,-0.3 -7,-0.1 114,-0.0 114,-0.0 -0.501 47.1 173.0 -66.9 136.9 13.8 75.0 6.1 70 71 A V - 0 0 19 -2,-0.2 3,-0.1 -9,-0.1 -57,-0.0 -0.956 37.7 -82.0-141.3 160.5 11.7 72.1 5.0 71 72 A P - 0 0 107 0, 0.0 -10,-0.0 0, 0.0 -1,-0.0 -0.191 65.1 -75.3 -63.4 159.6 8.4 71.8 3.3 72 73 A D + 0 0 106 114,-0.0 2,-0.3 1,-0.0 110,-0.0 -0.284 62.0 155.4 -65.8 140.4 5.2 71.9 5.4 73 74 A F - 0 0 11 -3,-0.1 2,-0.1 -12,-0.1 117,-0.1 -0.967 20.5-154.8-159.2 162.2 4.3 68.9 7.5 74 75 A G > - 0 0 6 -2,-0.3 4,-1.6 116,-0.0 3,-0.2 -0.425 47.2 -69.0-130.5-164.1 2.3 68.0 10.7 75 76 A Y H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.791 124.3 64.2 -67.5 -29.1 2.1 65.5 13.5 76 77 A Q H > S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.948 107.5 42.5 -52.2 -52.9 0.8 62.9 11.0 77 78 A E H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.777 108.9 57.3 -68.7 -33.0 4.2 63.1 9.3 78 79 A Q H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.906 106.1 52.0 -62.5 -42.7 6.1 63.2 12.6 79 80 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.941 110.5 46.8 -55.5 -48.8 4.4 59.8 13.5 80 81 A K H X S+ 0 0 100 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.935 112.3 50.8 -64.2 -43.2 5.5 58.2 10.2 81 82 A D H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.929 110.2 49.0 -57.9 -48.5 9.0 59.5 10.6 82 83 A A H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.917 113.6 46.2 -60.1 -44.9 9.2 58.1 14.2 83 84 A L H X S+ 0 0 25 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.917 109.8 54.5 -66.0 -41.2 7.9 54.6 13.0 84 85 A E H X S+ 0 0 47 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.904 109.0 48.3 -60.0 -40.1 10.3 54.6 10.1 85 86 A I H X S+ 0 0 3 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.894 111.7 49.4 -65.8 -40.6 13.2 55.2 12.4 86 87 A L H X>S+ 0 0 1 -4,-2.0 5,-2.1 -5,-0.2 4,-0.5 0.935 112.2 49.0 -63.1 -41.9 12.0 52.4 14.7 87 88 A D H ><5S+ 0 0 93 -4,-3.1 3,-2.2 1,-0.2 -2,-0.2 0.982 110.4 49.1 -62.0 -55.8 11.7 50.1 11.7 88 89 A Q H 3<5S+ 0 0 80 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.820 114.9 46.7 -49.9 -34.2 15.2 51.0 10.5 89 90 A L H 3<5S- 0 0 34 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.507 109.6-124.3 -89.7 -3.0 16.4 50.3 14.0 90 91 A G T <<5 + 0 0 56 -3,-2.2 2,-0.3 -4,-0.5 -3,-0.2 0.616 52.2 161.6 69.5 16.3 14.5 47.0 14.3 91 92 A V < + 0 0 12 -5,-2.1 -1,-0.2 -6,-0.2 3,-0.1 -0.481 12.5 174.0 -75.9 128.6 12.8 48.3 17.5 92 93 A E + 0 0 153 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.875 60.0 28.8 -96.2 -76.0 9.6 46.3 18.3 93 94 A T S S+ 0 0 53 25,-0.1 -65,-2.2 2,-0.0 -1,-0.3 -0.758 72.3 169.9 -92.5 138.0 8.0 47.3 21.6 94 95 A F E -c 28 0A 0 23,-2.5 26,-0.3 -2,-0.4 -65,-0.2 -0.999 35.0-139.2-149.5 149.2 8.5 50.8 22.9 95 96 A L E -c 29 0A 0 -67,-2.8 -65,-1.9 -2,-0.3 2,-0.3 -0.926 28.7-148.5-102.8 104.1 7.3 53.3 25.6 96 97 A P E -c 30 0A 0 0, 0.0 26,-1.9 0, 0.0 2,-0.4 -0.606 12.8-170.5 -77.8 136.2 6.9 56.7 24.0 97 98 A V E -ce 31 122A 0 -67,-3.2 -65,-3.2 -2,-0.3 2,-0.3 -0.994 11.1-164.0-126.7 116.2 7.5 59.7 26.4 98 99 A S E -ce 32 123A 0 24,-2.6 26,-2.4 -2,-0.4 2,-0.5 -0.738 16.0-142.1-109.1 154.3 6.6 63.2 25.0 99 100 A H E > - e 0 124A 4 -67,-1.7 3,-2.5 -2,-0.3 26,-0.2 -0.966 62.4 -56.1-111.9 125.5 7.4 66.8 25.8 100 101 A S G > S+ 0 0 10 24,-2.2 3,-1.9 -2,-0.5 24,-0.1 -0.151 128.8 6.7 46.9-125.5 4.6 69.3 25.5 101 102 A H G > S+ 0 0 14 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.406 110.1 84.4 -74.9 0.0 3.1 69.3 22.0 102 103 A G G <> S+ 0 0 0 -3,-2.5 4,-1.7 1,-0.2 -1,-0.3 0.543 75.9 81.9 -59.8 -12.7 5.2 66.3 21.0 103 104 A G H <> S+ 0 0 0 -3,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.746 78.2 60.3 -65.6 -34.4 2.1 64.8 22.7 104 105 A W H <> S+ 0 0 0 -3,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.844 108.5 45.5 -64.1 -38.1 0.1 65.1 19.5 105 106 A V H > S+ 0 0 0 -4,-0.4 4,-2.4 -3,-0.3 -2,-0.2 0.894 112.1 52.6 -62.6 -47.0 2.7 62.8 17.9 106 107 A L H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.871 111.6 43.9 -58.4 -43.4 2.6 60.4 21.0 107 108 A V H X S+ 0 0 2 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.828 115.4 47.0 -79.0 -35.6 -1.1 59.9 21.0 108 109 A E H X S+ 0 0 45 -4,-1.3 4,-2.4 -5,-0.2 -2,-0.2 0.831 111.1 54.1 -70.3 -35.0 -1.3 59.5 17.2 109 110 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.860 105.4 52.9 -62.4 -41.0 1.6 57.0 17.5 110 111 A L H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.897 111.7 46.0 -61.0 -41.3 -0.3 55.0 20.1 111 112 A E H < S+ 0 0 68 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.945 118.5 41.5 -63.1 -51.4 -3.3 54.8 17.7 112 113 A Q H < S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.865 120.2 39.9 -68.6 -46.1 -1.1 53.8 14.8 113 114 A A H X S- 0 0 20 -4,-2.9 4,-0.7 -5,-0.2 3,-0.2 0.694 102.9-143.8 -78.8 -22.9 1.3 51.4 16.5 114 115 A G H X - 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0 0 0 -3,-0.2 2,-0.5 -26,-0.1 -1,-0.2 -0.976 49.1-109.5-128.5 119.6 1.6 1.2 95.4 401 128 B L - 0 0 38 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.349 33.5-172.9 -59.0 107.8 -1.4 3.6 95.3 402 129 B M + 0 0 1 -2,-0.5 74,-0.8 72,-0.1 75,-0.2 0.685 60.9 66.7 -76.6 -25.5 -4.3 1.2 96.0 403 130 B W S S- 0 0 41 1,-0.1 3,-0.2 71,-0.1 71,-0.0 -0.605 98.2 -88.7 -98.6 160.3 -7.1 3.8 95.4 404 131 B A S S- 0 0 51 -2,-0.2 -1,-0.1 1,-0.2 70,-0.1 -0.249 72.4 -64.5 -61.2 156.0 -8.0 5.4 92.1 405 132 B P - 0 0 47 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.165 49.4-145.5 -58.3 123.6 -6.1 8.7 91.5 406 133 B K > - 0 0 99 -3,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.302 36.7 -95.3 -66.8 166.9 -6.8 11.4 94.0 407 134 B P H > S+ 0 0 102 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.877 122.8 51.4 -59.4 -39.2 -6.7 15.0 92.5 408 135 B D H > S+ 0 0 120 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.972 117.1 40.1 -63.4 -47.8 -3.1 15.8 93.4 409 136 B F H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.896 112.8 54.4 -67.4 -41.8 -1.8 12.5 91.9 410 137 B A H X S+ 0 0 34 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.942 110.3 49.0 -56.9 -44.5 -4.2 12.8 88.9 411 138 B K H X S+ 0 0 112 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.920 106.4 55.8 -57.3 -50.2 -2.6 16.3 88.4 412 139 B S H X S+ 0 0 14 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.928 106.8 50.2 -49.7 -48.0 0.9 14.9 88.6 413 140 B L H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.930 108.0 52.0 -60.6 -42.0 0.1 12.5 85.8 414 141 B T H X S+ 0 0 59 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.933 110.6 49.9 -61.9 -40.4 -1.2 15.2 83.6 415 142 B L H >< S+ 0 0 18 -4,-2.5 3,-1.1 1,-0.2 6,-0.3 0.892 106.7 53.4 -63.6 -43.7 2.0 17.2 84.2 416 143 B L H 3< S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.861 106.5 54.5 -60.8 -35.3 4.2 14.2 83.3 417 144 B K H 3< S+ 0 0 67 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.651 90.9 92.3 -70.6 -17.0 2.4 13.9 80.0 418 145 B D S+ 0 0 87 -6,-0.3 4,-1.7 -7,-0.1 -1,-0.1 0.173 79.6 108.6-122.2 17.2 5.8 20.6 82.3 422 149 B W H X S+ 0 0 31 -4,-1.2 4,-2.5 2,-0.2 5,-0.2 0.920 82.9 51.8 -63.8 -41.4 7.1 17.0 82.8 423 150 B R H > S+ 0 0 96 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.935 108.3 51.0 -63.5 -44.4 10.0 18.1 84.9 424 151 B E H > S+ 0 0 91 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.832 108.1 55.6 -57.0 -37.3 7.7 20.1 87.2 425 152 B G H X S+ 0 0 1 -4,-1.7 4,-1.9 -10,-0.3 3,-0.2 0.965 107.5 46.9 -56.1 -54.8 5.6 16.8 87.3 426 153 B T H X S+ 0 0 5 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.876 110.2 53.8 -58.2 -38.3 8.6 14.8 88.6 427 154 B H H X S+ 0 0 51 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.868 107.0 49.8 -68.2 -39.3 9.5 17.5 91.2 428 155 B G H X S+ 0 0 28 -4,-1.6 4,-1.8 -3,-0.2 -1,-0.2 0.877 112.4 49.1 -62.7 -40.8 6.0 17.5 92.7 429 156 B L H X S+ 0 0 8 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.955 107.1 54.3 -64.0 -46.3 6.3 13.7 92.9 430 157 B F H X S+ 0 0 16 -4,-3.2 4,-2.4 1,-0.2 5,-0.3 0.919 107.1 52.5 -55.5 -43.9 9.7 13.9 94.5 431 158 B D H X S+ 0 0 52 -4,-2.2 4,-1.4 1,-0.2 5,-0.4 0.903 111.2 45.6 -54.3 -48.9 8.2 16.2 97.2 432 159 B V H < S+ 0 0 77 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.935 114.2 49.7 -60.8 -43.5 5.4 13.6 97.9 433 160 B W H < S+ 0 0 29 -4,-2.7 91,-1.6 1,-0.2 92,-0.3 0.848 112.6 44.2 -70.0 -36.4 7.8 10.7 98.0 434 161 B L H >< S- 0 0 14 -4,-2.4 3,-2.0 -5,-0.2 -1,-0.2 0.727 88.9-162.9 -80.1 -23.0 10.3 12.3 100.3 435 162 B D T 3< - 0 0 53 -4,-1.4 -3,-0.1 1,-0.3 3,-0.1 0.694 68.7 -46.8 46.8 34.9 7.4 13.5 102.5 436 163 B G T 3 S+ 0 0 6 -5,-0.4 631,-2.5 1,-0.3 2,-0.4 0.593 106.8 129.1 89.8 12.3 9.4 16.1 104.4 437 164 B H B < -w 1067 0D 63 -3,-2.0 2,-1.5 629,-0.2 -1,-0.3 -0.822 59.6-141.5-106.0 139.3 12.4 13.9 105.1 438 165 B D + 0 0 26 629,-1.2 2,-1.1 -2,-0.4 628,-0.1 -0.582 39.7 168.6 -87.4 70.2 16.1 14.6 104.6 439 166 B E > - 0 0 46 -2,-1.5 4,-2.7 1,-0.2 3,-0.5 -0.753 21.6-162.6 -99.0 97.4 16.5 11.0 103.6 440 167 B K H > S+ 0 0 132 -2,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.785 83.5 46.7 -57.4 -38.5 20.0 10.9 102.1 441 168 B R H > S+ 0 0 127 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.901 115.9 44.6 -71.2 -38.2 19.7 7.6 100.2 442 169 B V H > S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.884 110.7 53.8 -74.6 -40.7 16.3 8.3 98.7 443 170 B R H X S+ 0 0 10 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.906 108.5 51.9 -56.6 -43.8 17.4 11.9 97.7 444 171 B H H X>S+ 0 0 77 -4,-1.7 5,-1.9 -5,-0.2 4,-1.7 0.803 108.9 49.6 -60.3 -37.9 20.3 10.3 95.9 445 172 B H H <>S+ 0 0 0 -4,-1.1 5,-1.1 3,-0.2 -2,-0.2 0.928 117.3 39.2 -69.8 -44.9 18.1 8.0 94.0 446 173 B L H <5S+ 0 0 2 -4,-2.6 -2,-0.2 3,-0.2 -3,-0.2 0.925 125.3 35.9 -71.0 -43.4 15.7 10.7 92.8 447 174 B L H <5S+ 0 0 63 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.769 135.2 16.1 -89.2 -26.4 18.3 13.4 92.1 448 175 B E T ><5S+ 0 0 110 -4,-1.7 3,-1.3 -5,-0.3 4,-0.4 0.790 125.6 46.4-109.2 -52.1 21.2 11.3 90.8 449 176 B E T 3 > - 0 0 32 -2,-0.4 4,-2.4 4,-0.0 3,-1.1 -0.328 40.9 -73.7-112.0-171.2 13.8 12.3 80.1 455 182 B Y H 3>>S+ 0 0 77 1,-0.3 4,-2.6 2,-0.2 5,-0.5 0.754 120.3 66.8 -57.8 -32.6 10.4 13.1 78.8 456 183 B D H 3>5S+ 0 0 42 2,-0.2 4,-0.6 3,-0.2 -1,-0.3 0.909 113.5 32.6 -57.4 -41.1 10.2 10.0 76.6 457 184 B b H <>5S+ 0 0 13 -3,-1.1 4,-2.7 2,-0.2 3,-0.3 0.968 122.0 45.4 -75.9 -60.9 10.2 8.0 79.8 458 185 B W H X5S+ 0 0 9 -4,-2.4 4,-1.6 1,-0.3 -3,-0.2 0.823 114.3 48.0 -57.5 -40.3 8.3 10.3 82.2 459 186 B G H X5S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.3 0.851 112.2 50.8 -67.6 -37.7 5.6 11.2 79.7 460 187 B R H X S- 0 0 21 -2,-1.5 4,-2.4 -6,-0.1 5,-0.2 -0.954 70.3 -92.9-165.2 167.5 -7.4 0.3 90.7 475 202 B P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.872 126.3 52.1 -58.4 -35.2 -4.7 -2.1 91.8 476 203 B M H > S+ 0 0 20 -74,-0.8 4,-2.5 2,-0.2 5,-0.2 0.895 109.5 47.0 -69.1 -44.5 -7.3 -3.7 94.1 477 204 B Q H > S+ 0 0 99 -75,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.913 113.4 49.7 -61.3 -45.5 -9.9 -4.1 91.4 478 205 B M H < S+ 0 0 13 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.921 113.8 45.1 -60.2 -45.1 -7.2 -5.6 89.1 479 206 B M H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.894 110.3 53.2 -63.7 -44.3 -6.0 -8.1 91.8 480 207 B A H 3< S+ 0 0 37 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.681 107.1 56.4 -64.6 -19.9 -9.6 -9.0 92.8 481 208 B N T 3< S+ 0 0 112 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.357 75.2 127.3 -94.2 0.2 -10.1 -9.8 89.2 482 209 B L < - 0 0 13 -3,-1.6 3,-0.4 1,-0.1 -100,-0.0 -0.358 63.5-133.0 -55.3 138.1 -7.3 -12.3 88.8 483 210 B T S S+ 0 0 106 1,-0.3 2,-0.5 -2,-0.0 -1,-0.1 0.902 102.7 28.1 -55.7 -44.1 -8.5 -15.7 87.3 484 211 B K S S- 0 0 130 -100,-0.0 -1,-0.3 2,-0.0 -3,-0.1 -0.874 85.2-156.0-125.1 96.3 -6.6 -17.4 90.1 485 212 B T + 0 0 66 -2,-0.5 -5,-0.1 -3,-0.4 -6,-0.0 -0.376 22.8 162.7 -71.3 152.3 -6.3 -15.4 93.2 486 213 B R - 0 0 14 27,-0.1 -92,-0.1 -2,-0.0 2,-0.1 -0.932 47.1 -44.9-163.1 169.4 -3.4 -16.2 95.5 487 214 B P + 0 0 38 0, 0.0 -92,-2.0 0, 0.0 2,-0.4 -0.250 56.5 168.0 -60.7 120.8 -1.4 -14.7 98.3 488 215 B I E -uv 395 514C 0 25,-2.4 27,-2.4 -94,-0.2 2,-0.5 -0.998 14.1-165.1-128.6 130.4 -0.5 -11.0 97.8 489 216 B R E -uv 396 515C 30 -94,-1.6 -92,-2.0 -2,-0.4 2,-0.7 -0.987 10.2-149.0-116.6 125.4 0.9 -8.7 100.5 490 217 B H E -uv 397 516C 0 25,-2.5 27,-2.1 -2,-0.5 2,-0.5 -0.831 15.6-173.2 -88.5 110.9 1.0 -4.9 100.2 491 218 B I E +uv 398 517C 0 -94,-2.8 -92,-2.6 -2,-0.7 2,-0.3 -0.926 20.4 151.9-107.9 127.4 3.9 -3.6 102.1 492 219 B F E - 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