==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-SEP-99 1D3G . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LIU,E.A.NEIDHARDT,T.H.GROSSMAN,T.OCAIN,J.CLARDY . 360 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15592.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0.3 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 . 11 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.1 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 1 1 2 1 0 1 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 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 0 PARALLEL BRIDGES PER LADDER . 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 0 0 0 1 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 30 A M 0 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -35.8 58.0 55.2 -5.1 2 31 A A + 0 0 85 38,-0.2 37,-0.1 1,-0.1 0, 0.0 0.674 360.0 60.9-102.6 -24.5 59.5 57.2 -2.3 3 32 A T S S- 0 0 129 37,-0.2 3,-0.1 2,-0.0 -1,-0.1 0.857 101.0-123.2 -73.3 -37.7 56.9 60.0 -2.0 4 33 A G - 0 0 20 1,-0.2 2,-0.4 2,-0.0 330,-0.1 0.700 39.1-173.9 96.7 27.1 54.0 57.7 -1.2 5 34 A D > - 0 0 76 1,-0.2 4,-2.3 2,-0.1 5,-0.3 -0.360 17.2-156.4 -68.2 116.5 52.1 59.0 -4.2 6 35 A E H > S+ 0 0 58 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.935 91.5 47.1 -57.3 -46.8 48.6 57.6 -4.1 7 36 A R H > S+ 0 0 181 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.899 110.0 51.9 -67.3 -39.9 48.0 58.0 -7.8 8 37 A F H >>S+ 0 0 82 1,-0.2 5,-2.4 2,-0.2 4,-1.7 0.926 115.1 42.0 -64.6 -42.2 51.3 56.6 -8.9 9 38 A Y H <>S+ 0 0 17 -4,-2.3 5,-2.6 3,-0.2 -2,-0.2 0.942 120.2 42.1 -67.1 -46.3 50.8 53.4 -6.8 10 39 A A H <5S+ 0 0 26 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.883 125.0 32.3 -73.5 -36.8 47.2 53.0 -7.7 11 40 A E H <5S+ 0 0 120 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.725 136.5 6.3 -94.1 -24.0 47.4 53.8 -11.4 12 41 A H T X5S+ 0 0 102 -4,-1.7 4,-1.8 -5,-0.4 -3,-0.2 0.733 120.5 44.2-126.4 -62.7 50.9 52.5 -12.3 13 42 A L H > S+ 0 0 53 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.886 112.8 50.8 -60.1 -37.2 48.7 47.3 -11.6 16 45 A T H X S+ 0 0 87 -4,-1.8 4,-1.4 2,-0.2 3,-0.3 0.959 110.5 48.4 -65.2 -44.5 52.2 46.7 -13.1 17 46 A L H X S+ 0 0 51 -4,-2.7 4,-1.8 1,-0.2 3,-0.4 0.913 110.7 51.3 -60.7 -43.4 53.2 44.4 -10.2 18 47 A Q H < S+ 0 0 36 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.826 108.2 52.4 -65.7 -28.7 49.9 42.5 -10.5 19 48 A G H < S+ 0 0 71 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.752 114.4 42.6 -75.8 -24.1 50.5 42.0 -14.2 20 49 A L H < S+ 0 0 134 -4,-1.4 2,-0.4 -3,-0.4 -2,-0.2 0.724 115.8 43.4 -90.2 -28.7 54.0 40.6 -13.6 21 50 A L S < S- 0 0 53 -4,-1.8 -1,-0.1 -5,-0.2 0, 0.0 -0.937 75.5-119.0-127.1 144.5 53.3 38.4 -10.6 22 51 A D > - 0 0 83 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.435 46.2-104.9 -68.8 159.4 50.7 35.9 -9.4 23 52 A P H > S+ 0 0 27 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.855 117.7 51.4 -67.6 -37.5 49.1 37.1 -6.2 24 53 A E H > S+ 0 0 9 79,-0.3 4,-2.7 2,-0.2 5,-0.2 0.932 111.3 49.4 -63.4 -40.9 50.9 34.7 -3.8 25 54 A S H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 112.0 48.2 -60.4 -42.9 54.3 35.7 -5.3 26 55 A A H X S+ 0 0 17 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.897 110.0 52.8 -64.1 -39.9 53.3 39.4 -4.9 27 56 A H H X S+ 0 0 28 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.949 109.6 48.1 -58.6 -47.6 52.2 38.8 -1.3 28 57 A R H X S+ 0 0 123 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.920 113.0 48.1 -60.4 -43.0 55.6 37.2 -0.5 29 58 A L H X S+ 0 0 50 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.902 109.4 53.5 -63.5 -41.4 57.4 40.1 -2.1 30 59 A A H X S+ 0 0 34 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.901 108.5 48.9 -60.7 -42.3 55.3 42.6 -0.2 31 60 A V H X S+ 0 0 15 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.916 112.5 49.5 -65.1 -40.2 56.1 41.0 3.1 32 61 A R H X S+ 0 0 116 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.954 113.4 44.2 -64.6 -49.2 59.8 41.0 2.2 33 62 A F H <>S+ 0 0 101 -4,-3.1 5,-2.5 1,-0.2 4,-0.4 0.918 115.3 49.0 -60.5 -40.6 59.8 44.7 1.2 34 63 A T H ><5S+ 0 0 6 -4,-2.4 3,-1.7 -5,-0.3 -1,-0.2 0.933 106.3 55.9 -67.6 -39.6 57.7 45.7 4.2 35 64 A S H 3<5S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.797 110.0 46.8 -64.5 -27.8 60.0 43.7 6.6 36 65 A L T 3<5S- 0 0 125 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.413 114.6-117.0 -89.1 -3.6 63.0 45.7 5.3 37 66 A G T < 5 + 0 0 14 -3,-1.7 2,-1.8 -4,-0.4 -3,-0.2 0.735 59.6 154.7 72.8 26.6 61.1 49.1 5.6 38 67 A L < + 0 0 95 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.602 29.3 138.2 -88.9 80.3 61.3 49.6 1.8 39 68 A L 0 0 31 -2,-1.8 -5,-0.0 -3,-0.1 41,-0.0 -0.891 360.0 360.0-134.1 147.3 58.2 51.8 1.8 40 69 A P 0 0 46 0, 0.0 -37,-0.2 0, 0.0 -38,-0.2 -0.449 360.0 360.0 -63.4 360.0 57.1 55.0 0.2 41 ! 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 42 73 A F 0 0 108 0, 0.0 2,-0.6 0, 0.0 293,-0.0 0.000 360.0 360.0 360.0 127.5 50.4 61.6 7.0 43 74 A Q - 0 0 173 291,-0.0 2,-0.2 1,-0.0 38,-0.0 -0.851 360.0-122.8 -98.0 118.2 50.7 62.8 10.6 44 75 A D - 0 0 32 -2,-0.6 2,-0.2 1,-0.1 15,-0.1 -0.412 28.4-151.0 -62.5 124.5 48.2 61.2 13.0 45 76 A S > - 0 0 30 -2,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.574 27.2-107.7 -88.4 165.6 46.0 63.9 14.6 46 77 A D G > S+ 0 0 144 1,-0.3 3,-1.2 -2,-0.2 -1,-0.1 0.773 113.1 72.5 -62.8 -25.2 44.5 63.6 18.1 47 78 A M G 3 S+ 0 0 27 1,-0.3 305,-2.8 304,-0.1 -1,-0.3 0.705 95.3 52.1 -60.4 -25.5 41.1 63.2 16.4 48 79 A L G < S+ 0 0 0 -3,-1.9 -1,-0.3 303,-0.2 -2,-0.2 0.520 81.8 112.8 -93.5 -7.8 42.0 59.7 15.4 49 80 A E < - 0 0 74 -3,-1.2 304,-0.5 -4,-0.3 2,-0.4 -0.409 44.8-172.7 -70.4 136.2 43.1 58.4 18.8 50 81 A V E -A 57 0A 1 7,-2.4 7,-2.9 -2,-0.2 2,-0.6 -0.997 16.5-152.7-129.0 134.5 41.0 55.7 20.3 51 82 A R E +A 56 0A 174 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.940 42.7 126.3-107.2 111.6 41.1 54.1 23.8 52 83 A V E > +A 55 0A 23 3,-2.0 3,-1.9 -2,-0.6 -2,-0.1 -0.979 52.7 30.5-153.2 161.0 39.8 50.5 23.8 53 84 A L T 3 S- 0 0 25 -2,-0.3 164,-0.2 1,-0.3 3,-0.1 0.746 129.2 -60.2 61.2 26.0 40.8 47.0 24.8 54 85 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 162,-0.1 -1,-0.3 0.676 119.1 92.4 78.3 11.4 42.9 48.4 27.6 55 86 A H E < S-A 52 0A 45 -3,-1.9 -3,-2.0 89,-0.0 2,-0.4 -0.974 73.7-119.2-138.2 154.1 45.1 50.3 25.2 56 87 A K E -A 51 0A 67 -2,-0.3 2,-0.5 85,-0.3 -5,-0.2 -0.783 25.4-162.1 -83.0 131.9 45.6 53.6 23.4 57 88 A F E -A 50 0A 1 -7,-2.9 -7,-2.4 -2,-0.4 88,-0.2 -0.982 11.3-151.4-114.3 122.5 45.5 53.3 19.6 58 89 A R S S+ 0 0 97 86,-3.1 -10,-0.2 -2,-0.5 -1,-0.1 0.795 84.0 2.3 -67.0 -31.7 47.1 56.3 17.8 59 90 A N S S- 0 0 0 85,-0.4 -10,-0.1 24,-0.1 -1,-0.1 -0.952 72.7-123.8-144.7 165.3 44.8 55.8 14.8 60 91 A P S S+ 0 0 0 0, 0.0 259,-3.3 0, 0.0 2,-0.7 0.227 77.0 102.0 -96.6 12.6 42.0 53.3 14.2 61 92 A V E +b 319 0B 0 20,-0.2 22,-2.6 257,-0.2 23,-0.6 -0.873 48.2 174.6-106.5 108.7 43.3 51.8 11.0 62 93 A G E -bc 320 84B 0 257,-2.8 259,-2.2 -2,-0.7 2,-0.6 -0.624 36.2-110.3-109.6 162.2 44.9 48.4 11.4 63 94 A I E -bc 321 85B 1 21,-1.5 23,-1.2 257,-0.2 259,-0.2 -0.849 41.7-128.1 -88.7 122.1 46.3 45.7 9.1 64 95 A A > - 0 0 5 257,-2.1 3,-0.9 -2,-0.6 4,-0.4 -0.315 31.2 -84.8 -67.0 157.8 44.0 42.7 9.2 65 96 A A T 3 S+ 0 0 12 1,-0.2 24,-0.2 22,-0.1 -1,-0.2 -0.155 105.8 50.4 -54.9 150.8 45.3 39.2 9.8 66 97 A G T 3 S+ 0 0 10 22,-2.3 3,-0.3 2,-0.2 -1,-0.2 0.359 89.5 78.7 106.5 -15.8 46.6 37.2 6.9 67 98 A F S < S+ 0 0 10 -3,-0.9 2,-1.0 19,-0.3 3,-0.2 0.874 107.4 26.3 -86.0 -58.0 49.1 39.7 5.5 68 99 A D S > S+ 0 0 1 18,-0.4 20,-1.8 -4,-0.4 3,-0.6 -0.724 77.9 166.1-101.0 80.9 51.8 39.1 8.0 69 100 A K T 3 S+ 0 0 20 -2,-1.0 -1,-0.2 -3,-0.3 20,-0.2 0.820 74.3 35.2 -65.2 -32.0 50.9 35.5 8.9 70 101 A H T 3 S- 0 0 21 -3,-0.2 -1,-0.2 18,-0.1 59,-0.1 0.232 111.5-105.5-115.4 12.0 54.2 34.7 10.6 71 102 A G S < S+ 0 0 3 -3,-0.6 3,-0.2 17,-0.1 -2,-0.1 0.831 77.6 129.6 71.1 38.3 55.1 38.0 12.3 72 103 A E S S+ 0 0 79 1,-0.1 4,-0.1 2,-0.1 -1,-0.1 0.537 71.8 35.5 -96.4 -13.4 57.9 39.0 9.9 73 104 A A S > S+ 0 0 2 2,-0.1 4,-2.2 1,-0.1 5,-0.2 0.092 70.8 124.5-135.5 24.8 56.9 42.5 9.0 74 105 A V H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.917 79.2 45.3 -59.4 -49.7 55.5 44.1 12.1 75 106 A D H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 112.2 52.1 -64.8 -36.7 57.8 47.1 12.3 76 107 A G H > S+ 0 0 5 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.846 106.0 55.5 -65.7 -35.5 57.4 47.8 8.6 77 108 A L H X>S+ 0 0 1 -4,-2.2 5,-1.5 2,-0.2 4,-0.5 0.888 106.9 48.4 -68.3 -37.4 53.6 47.7 9.0 78 109 A Y H ><5S+ 0 0 20 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.913 108.4 55.9 -62.8 -38.4 53.8 50.4 11.7 79 110 A K H 3<5S+ 0 0 136 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.842 98.6 61.8 -62.0 -29.4 56.1 52.4 9.4 80 111 A M H 3<5S- 0 0 20 -4,-1.5 -1,-0.3 -5,-0.1 254,-0.2 0.684 125.7-101.4 -70.0 -18.4 53.3 52.2 6.7 81 112 A G T <<5 + 0 0 16 -3,-1.5 -20,-0.2 -4,-0.5 -3,-0.2 0.431 68.2 151.0 114.8 2.8 51.0 54.1 9.1 82 113 A F < - 0 0 1 -5,-1.5 -1,-0.3 1,-0.1 -20,-0.2 -0.414 41.6-145.4 -67.2 138.9 48.8 51.4 10.6 83 114 A G S S+ 0 0 0 -22,-2.6 -25,-0.4 1,-0.2 2,-0.3 0.647 83.3 7.7 -76.4 -19.3 47.6 52.2 14.1 84 115 A F E -c 62 0B 0 -23,-0.6 -21,-1.5 61,-0.2 2,-0.4 -0.970 69.7-140.7-158.6 154.9 47.8 48.6 15.1 85 116 A V E -cd 63 147B 0 61,-1.8 63,-3.3 -2,-0.3 2,-0.5 -0.983 6.9-164.3-124.7 136.5 49.1 45.4 13.6 86 117 A E E - d 0 148B 0 -23,-1.2 -18,-0.4 -2,-0.4 -19,-0.3 -0.986 11.8-166.7-118.8 121.7 47.5 41.9 13.7 87 118 A I E - d 0 149B 0 61,-2.4 63,-2.8 -2,-0.5 -18,-0.2 -0.621 32.6 -6.9-100.5 167.3 49.7 39.0 12.8 88 119 A G E - d 0 150B 0 -20,-1.8 -22,-2.3 1,-0.3 63,-0.1 -0.584 34.9-132.5 106.1-172.1 48.6 35.4 12.0 89 120 A S E - 0 0 7 61,-0.5 2,-0.4 -24,-0.2 -1,-0.3 0.378 54.3-175.4 -71.5 144.7 46.8 33.3 11.9 90 121 A V E - d 0 151B 1 60,-2.2 62,-3.0 -3,-0.2 30,-0.1 -0.944 9.2-154.9-111.5 132.0 49.4 31.2 13.6 91 122 A T - 0 0 0 -2,-0.4 32,-1.0 60,-0.2 62,-0.2 -0.662 27.4-112.1-101.7 163.1 48.8 27.4 14.2 92 123 A P S S+ 0 0 8 0, 0.0 31,-1.3 0, 0.0 32,-0.6 0.949 102.1 30.4 -59.9 -56.6 50.4 25.4 17.0 93 124 A K S S- 0 0 130 29,-0.2 29,-0.3 30,-0.1 -2,-0.1 -0.749 101.1 -94.3 -95.8 152.6 52.6 23.3 14.7 94 125 A P + 0 0 90 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.315 49.3 177.8 -54.6 142.2 54.0 24.4 11.4 95 126 A Q B -J 120 0C 38 25,-2.2 25,-2.6 23,-0.1 27,-0.1 -0.990 33.3-135.6-151.7 154.9 51.9 23.5 8.4 96 127 A E - 0 0 176 -2,-0.3 23,-0.2 1,-0.2 2,-0.1 0.710 37.0-146.2 -81.3 -24.2 52.1 24.1 4.7 97 128 A G - 0 0 25 21,-0.3 20,-0.3 20,-0.2 -1,-0.2 -0.402 46.7 -22.5 80.9-165.0 48.5 25.1 4.0 98 129 A N S S- 0 0 41 18,-2.7 4,-0.1 17,-0.3 17,-0.0 -0.294 76.6 -87.8 -79.7 163.3 46.7 24.2 0.7 99 130 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.319 64.1 -67.9 -63.7 151.4 48.4 23.4 -2.6 100 131 A R S S+ 0 0 133 2,-0.1 2,-0.1 1,-0.0 16,-0.0 -0.694 109.8 52.0 -90.9 144.2 49.2 26.3 -5.1 101 132 A P + 0 0 89 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.364 66.6 141.0 -80.6 152.4 47.6 28.1 -6.6 102 133 A R + 0 0 16 1,-0.2 13,-3.3 -2,-0.1 2,-0.4 0.212 53.2 67.4-142.4 8.5 45.6 29.2 -3.6 103 134 A V E -K 114 0D 17 11,-0.2 2,-0.4 12,-0.1 -79,-0.3 -0.998 59.2-173.7-137.8 133.8 45.1 32.9 -4.1 104 135 A F E -K 113 0D 17 9,-2.7 9,-2.7 -2,-0.4 2,-0.3 -0.991 15.3-139.7-137.6 125.6 43.1 34.4 -7.0 105 136 A R E -K 112 0D 46 -2,-0.4 158,-0.3 7,-0.2 7,-0.2 -0.657 8.7-169.0 -87.3 139.2 42.6 38.0 -8.1 106 137 A L E >>> +K 111 0D 0 5,-2.6 5,-1.9 -2,-0.3 3,-1.5 -0.745 15.0 172.0-119.6 77.1 39.3 39.4 -9.2 107 138 A P G >45S+ 0 0 68 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.895 73.5 57.2 -61.6 -36.5 40.4 42.7 -10.6 108 139 A E G 345S+ 0 0 129 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.652 115.2 39.7 -69.0 -14.5 37.1 43.7 -12.1 109 140 A D G <45S- 0 0 15 -3,-1.5 -1,-0.3 2,-0.2 164,-0.2 0.357 105.3-123.5-112.5 -0.9 35.5 43.3 -8.7 110 141 A Q T <<5S+ 0 0 64 -3,-1.3 163,-1.9 -4,-0.6 2,-0.3 0.912 76.2 117.6 50.4 50.3 38.3 44.9 -6.6 111 142 A A E < -KL 106 272D 0 -5,-1.9 -5,-2.6 161,-0.2 2,-0.3 -0.837 53.7-149.8-142.6 164.5 38.3 41.6 -4.7 112 143 A V E -KL 105 271D 18 159,-1.0 159,-2.5 -2,-0.3 2,-0.4 -0.970 5.1-153.6-133.6 146.5 40.4 38.5 -3.9 113 144 A I E -KL 104 270D 0 -9,-2.7 -9,-2.7 -2,-0.3 2,-0.4 -0.999 22.1-178.8-115.8 129.6 39.6 34.9 -3.2 114 145 A N E +KL 103 269D 34 155,-2.1 155,-2.7 -2,-0.4 -11,-0.2 -0.968 27.8 175.1-128.1 147.2 42.0 33.0 -1.1 115 146 A R + 0 0 55 -13,-3.3 -17,-0.3 -2,-0.4 -12,-0.1 -0.324 26.3 148.6-135.0 55.0 42.2 29.4 0.2 116 147 A Y - 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0 0 90 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.783 60.9 -70.3 59.0 28.0 24.2 46.7 23.5 292 326 A G T 3 S- 0 0 22 1,-0.1 4,-2.3 32,-0.1 -1,-0.2 -0.957 83.8-101.8-149.0 169.9 38.5 54.7 1.8 305 339 A G H > S+ 0 0 0 -2,-0.3 4,-3.0 30,-0.2 5,-0.2 0.888 121.7 55.3 -61.9 -39.9 37.7 57.1 4.7 306 340 A Q H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.937 106.9 49.7 -59.5 -44.2 34.0 56.7 3.9 307 341 A D H > S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.928 113.0 47.2 -61.3 -43.3 34.3 52.9 4.2 308 342 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.949 112.6 47.9 -61.9 -46.4 36.0 53.3 7.5 309 343 A L H X S+ 0 0 4 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.880 106.0 58.1 -69.1 -29.6 33.5 55.8 8.9 310 344 A E H X S+ 0 0 66 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.925 109.9 44.7 -63.2 -40.8 30.6 53.7 7.8 311 345 A K H X>S+ 0 0 0 -4,-1.6 5,-2.8 -5,-0.2 4,-0.6 0.915 113.3 49.9 -69.8 -38.0 31.9 50.8 9.9 312 346 A I H ><5S+ 0 0 0 -4,-2.4 45,-2.8 3,-0.2 3,-1.6 0.956 111.3 48.6 -62.1 -48.4 32.7 53.1 12.9 313 347 A R H 3<5S+ 0 0 46 -4,-3.2 46,-1.9 1,-0.3 47,-0.5 0.827 107.8 56.2 -62.7 -29.3 29.2 54.6 12.7 314 348 A A H 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.3 -27,-0.2 0.610 137.9 -77.5 -76.8 -13.1 27.7 51.1 12.6 315 349 A G T <<5S+ 0 0 1 -3,-1.6 -19,-0.5 -4,-0.6 2,-0.3 0.383 84.1 135.5 135.4 -1.8 29.5 50.2 15.8 316 350 A A < - 0 0 0 -5,-2.8 -1,-0.3 1,-0.1 41,-0.2 -0.584 32.4-168.7 -79.0 137.2 33.2 49.6 15.2 317 351 A S S S+ 0 0 12 -21,-2.5 2,-0.3 -2,-0.3 -20,-0.2 0.726 81.1 12.4 -84.9 -27.4 35.8 51.1 17.5 318 352 A L E S- i 0 297B 1 -22,-1.3 -20,-3.0 -7,-0.1 2,-0.3 -0.921 72.5-149.0-141.3 157.4 38.6 50.3 15.2 319 353 A V E -bi 61 298B 0 -259,-3.3 -257,-2.8 -2,-0.3 2,-0.3 -0.921 4.6-158.1-126.7 160.9 38.8 49.1 11.6 320 354 A Q E -bi 62 299B 0 -22,-2.2 -20,-0.6 -2,-0.3 -18,-0.3 -0.947 4.8-166.7-128.1 158.0 41.2 46.9 9.6 321 355 A L E +b 63 0B 2 -259,-2.2 -257,-2.1 -2,-0.3 -18,-0.1 -0.963 22.4 149.4-136.6 158.3 42.0 46.6 5.9 322 356 A Y S >> S+ 0 0 52 -2,-0.3 3,-1.7 -20,-0.2 4,-1.0 0.255 72.4 52.7-142.8 -63.9 43.9 44.1 3.8 323 357 A T H >> S+ 0 0 16 1,-0.3 4,-1.3 2,-0.2 3,-0.8 0.864 103.7 60.8 -57.2 -33.6 42.6 43.7 0.2 324 358 A A H 3> S+ 0 0 7 -22,-0.4 4,-2.6 1,-0.3 5,-0.5 0.828 99.6 56.6 -59.7 -35.4 42.8 47.5 -0.4 325 359 A L H <> S+ 0 0 12 -3,-1.7 4,-1.7 1,-0.2 -1,-0.3 0.864 102.9 55.7 -61.2 -36.1 46.5 47.3 0.2 326 360 A T H << S+ 0 0 40 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.806 117.3 32.9 -69.7 -30.3 46.8 44.7 -2.6 327 361 A F H < S+ 0 0 10 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.843 133.8 24.4 -89.2 -43.9 45.2 47.0 -5.1 328 362 A W H < S- 0 0 70 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.573 96.6-144.6-107.0 -11.0 46.3 50.5 -4.1 329 363 A G >< - 0 0 0 -4,-1.7 3,-2.4 -5,-0.5 4,-0.3 -0.045 49.1 -31.7 75.7-173.9 49.5 49.7 -2.1 330 364 A P T >> S+ 0 0 23 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.779 124.6 68.1 -51.3 -34.9 51.0 51.4 0.9 331 365 A P H 3> S+ 0 0 11 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.744 82.0 78.2 -62.4 -18.9 49.7 54.9 0.2 332 366 A V H <> S+ 0 0 3 -3,-2.4 4,-2.6 1,-0.2 5,-0.2 0.791 84.8 62.1 -60.6 -27.6 46.2 53.6 0.9 333 367 A V H <> S+ 0 0 0 -3,-1.7 4,-2.2 -4,-0.3 -1,-0.2 0.966 108.3 39.4 -65.5 -48.2 46.8 53.8 4.7 334 368 A G H X S+ 0 0 15 -4,-0.5 4,-2.9 -254,-0.2 5,-0.3 0.858 113.5 58.0 -68.9 -33.1 47.4 57.5 4.7 335 369 A K H X S+ 0 0 42 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.942 108.3 44.6 -58.7 -50.8 44.6 58.0 2.2 336 370 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.922 115.0 48.5 -61.0 -43.9 42.1 56.3 4.5 337 371 A K H X S+ 0 0 6 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.913 113.2 46.4 -64.1 -43.9 43.3 58.2 7.5 338 372 A R H X S+ 0 0 109 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.932 115.2 46.4 -65.1 -44.3 43.2 61.6 5.8 339 373 A E H X S+ 0 0 62 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.886 111.7 51.4 -65.4 -39.1 39.7 60.9 4.3 340 374 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.924 108.6 50.9 -64.2 -43.6 38.4 59.7 7.7 341 375 A E H X S+ 0 0 40 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.931 111.5 48.8 -59.2 -44.6 39.6 62.8 9.5 342 376 A A H X S+ 0 0 51 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.917 112.1 47.6 -62.7 -43.6 38.0 65.0 6.9 343 377 A L H X S+ 0 0 30 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.858 107.3 56.0 -67.3 -36.8 34.7 63.2 7.1 344 378 A L H <>S+ 0 0 0 -4,-2.4 5,-2.8 2,-0.2 -1,-0.2 0.943 111.7 44.1 -58.3 -46.2 34.7 63.2 10.9 345 379 A K H ><5S+ 0 0 122 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.919 112.5 52.4 -63.8 -44.3 35.0 67.0 10.8 346 380 A E H 3<5S+ 0 0 150 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.815 111.1 46.8 -62.1 -31.2 32.3 67.3 8.0 347 381 A Q T 3<5S- 0 0 79 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.289 119.5-106.2 -99.2 6.5 29.8 65.2 10.0 348 382 A G T < 5 + 0 0 67 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.715 67.9 146.3 83.2 24.7 30.4 67.1 13.3 349 383 A F < - 0 0 33 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.795 44.4-149.7 -94.7 135.7 32.3 64.5 15.2 350 384 A G S S- 0 0 57 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.804 76.8 -32.5 -71.4 -29.6 35.0 65.7 17.6 351 385 A G S >> S- 0 0 7 -7,-0.1 4,-0.8 1,-0.1 3,-0.5 -0.965 78.0 -71.9-168.2-175.0 37.0 62.5 17.0 352 386 A V H >> S+ 0 0 0 -305,-2.8 3,-1.5 -2,-0.3 4,-1.0 0.901 122.9 61.7 -54.7 -45.9 36.6 58.8 16.2 353 387 A T H >4 S+ 0 0 84 -304,-0.5 3,-0.7 1,-0.3 -1,-0.2 0.886 100.1 53.4 -53.5 -39.9 35.3 58.0 19.6 354 388 A D H <4 S+ 0 0 88 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.747 108.0 51.8 -66.3 -25.6 32.3 60.3 19.2 355 389 A A H X< S+ 0 0 0 -3,-1.5 3,-2.4 -4,-0.8 4,-0.3 0.635 76.8 117.2 -87.8 -17.6 31.4 58.5 16.0 356 390 A I T << S- 0 0 21 -4,-1.0 -43,-0.2 -3,-0.7 -39,-0.1 -0.337 96.8 -7.6 -58.5 118.4 31.4 54.9 17.3 357 391 A G T > S+ 0 0 0 -45,-2.8 3,-1.9 -2,-0.2 4,-0.4 0.551 88.5 143.7 75.6 13.2 27.9 53.5 17.0 358 392 A A G X + 0 0 12 -3,-2.4 3,-1.4 1,-0.3 4,-0.2 0.781 62.7 62.9 -61.1 -30.4 26.5 56.9 15.9 359 393 A D G > S+ 0 0 39 -46,-1.9 3,-1.0 -4,-0.3 -1,-0.3 0.815 97.2 58.3 -63.8 -27.6 24.0 55.3 13.5 360 394 A H G < S+ 0 0 69 -3,-1.9 -1,-0.3 -47,-0.5 -2,-0.2 0.616 104.0 52.6 -76.7 -12.3 22.3 53.5 16.4 361 395 A R G < 0 0 145 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.256 360.0 360.0-105.0 7.0 21.6 56.8 18.1 362 396 A R < 0 0 247 -3,-1.0 -2,-0.2 -4,-0.2 -1,-0.1 0.762 360.0 360.0-100.2 360.0 19.9 58.6 15.2