==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-JAN-04 1UUO . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; . AUTHOR M.HANSEN,J.LE NOURS,E.JOHANSSON,T.ANTAL,A.ULLRICH,M.LOFFLER, . 351 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 5.1 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 . 17 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.4 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 3 0 1 1 2 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 4 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 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 34 A D > 0 0 139 0, 0.0 4,-1.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 129.4 -5.9 24.9 125.4 2 35 A D H > + 0 0 72 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.825 360.0 53.9 -55.3 -40.0 -3.1 23.2 127.4 3 36 A H H >>S+ 0 0 112 2,-0.2 4,-2.6 1,-0.2 5,-0.5 0.908 103.9 53.0 -66.5 -45.4 -4.3 19.7 126.7 4 37 A F H >>S+ 0 0 110 1,-0.2 5,-2.0 2,-0.2 4,-1.7 0.904 114.3 42.8 -58.2 -43.6 -4.4 19.9 122.9 5 38 A Y H <>S+ 0 0 60 -4,-1.4 5,-1.9 3,-0.2 -1,-0.2 0.918 118.1 42.7 -70.0 -45.3 -0.9 21.2 122.7 6 39 A A H <5S+ 0 0 32 -4,-2.0 -2,-0.2 313,-0.2 -3,-0.2 0.883 124.7 33.1 -70.1 -41.7 0.7 18.8 125.2 7 40 A E H <5S+ 0 0 122 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.813 136.3 6.4 -87.6 -32.1 -1.1 15.6 124.1 8 41 A Y T X S+ 0 0 37 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.904 110.1 53.0 -63.4 -36.7 3.9 15.4 120.1 12 45 A G H >X S+ 0 0 31 -4,-2.8 4,-1.1 1,-0.2 3,-0.6 0.919 109.5 46.9 -62.0 -45.2 2.8 15.5 116.5 13 46 A L H 3X S+ 0 0 61 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.851 107.3 59.0 -64.5 -36.0 5.5 17.9 115.5 14 47 A Q H 3< S+ 0 0 38 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.733 107.7 44.7 -68.0 -23.3 8.1 15.9 117.4 15 48 A R H << S+ 0 0 226 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.695 115.9 47.0 -92.7 -20.7 7.4 12.7 115.3 16 49 A L H < S+ 0 0 141 -4,-1.1 2,-0.3 -5,-0.2 -2,-0.2 0.723 117.7 33.1 -90.6 -24.5 7.4 14.6 112.0 17 50 A L S < S- 0 0 60 -4,-2.0 -1,-0.1 -5,-0.1 0, 0.0 -0.925 74.2-116.1-136.4 158.4 10.5 16.7 112.6 18 51 A D >> - 0 0 81 -2,-0.3 4,-2.3 1,-0.1 3,-0.6 -0.573 46.6-102.6 -83.7 154.2 14.0 16.6 114.2 19 52 A P H 3> S+ 0 0 29 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.822 119.0 49.6 -48.1 -43.5 14.5 19.2 117.0 20 53 A E H 3> S+ 0 0 7 78,-0.3 4,-2.0 2,-0.2 5,-0.1 0.870 112.1 48.5 -68.6 -34.8 16.5 21.7 115.0 21 54 A S H <> S+ 0 0 43 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.903 112.4 48.8 -68.7 -41.5 14.0 21.7 112.1 22 55 A A H X S+ 0 0 26 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.910 107.6 55.8 -63.3 -42.4 11.2 22.1 114.6 23 56 A H H X S+ 0 0 26 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.938 109.5 45.5 -55.2 -50.4 13.1 25.0 116.2 24 57 A R H X S+ 0 0 134 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.888 114.0 49.5 -61.6 -39.8 13.3 26.8 112.9 25 58 A L H X S+ 0 0 59 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.879 106.7 55.5 -66.6 -37.7 9.7 26.1 112.2 26 59 A A H X S+ 0 0 34 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.927 108.5 48.6 -59.8 -45.0 8.8 27.4 115.6 27 60 A V H X S+ 0 0 15 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.918 110.7 49.5 -62.7 -45.9 10.5 30.7 114.8 28 61 A R H X S+ 0 0 127 -4,-2.1 4,-1.5 1,-0.2 3,-0.2 0.977 113.8 45.6 -55.8 -58.6 8.8 31.1 111.4 29 62 A V H <>S+ 0 0 56 -4,-2.5 5,-1.0 1,-0.2 4,-0.5 0.845 114.3 49.0 -53.4 -39.8 5.3 30.5 112.9 30 63 A T H ><5S+ 0 0 12 -4,-2.1 3,-0.7 -5,-0.2 -1,-0.2 0.865 108.8 51.3 -71.5 -37.9 6.0 32.8 115.8 31 64 A S H 3<5S+ 0 0 51 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.745 106.1 56.4 -72.0 -23.4 7.3 35.7 113.7 32 65 A L T 3<5S- 0 0 128 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.595 104.3-129.1 -84.4 -12.2 4.2 35.5 111.5 33 66 A G T < 5 + 0 0 19 -3,-0.7 2,-2.5 -4,-0.5 -3,-0.1 0.663 58.1 145.3 75.2 16.2 1.8 36.0 114.4 34 67 A L < + 0 0 134 -5,-1.0 -1,-0.2 1,-0.1 -3,-0.1 -0.319 45.9 110.1 -79.3 56.6 -0.5 33.0 113.6 35 68 A L 0 0 33 -2,-2.5 -1,-0.1 -5,-0.1 40,-0.1 0.845 360.0 360.0 -99.9 -87.9 -0.7 32.8 117.3 36 69 A P 0 0 136 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.679 360.0 360.0 -49.5 360.0 -3.9 33.6 119.3 37 ! 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 38 74 A Q 0 0 229 0, 0.0 2,-0.4 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 124.1 -4.5 40.0 130.9 39 75 A D - 0 0 43 2,-0.1 15,-0.1 1,-0.1 290,-0.0 -0.419 360.0-149.5 -64.6 116.0 -1.6 40.9 133.1 40 76 A S - 0 0 36 -2,-0.4 3,-0.3 1,-0.1 4,-0.2 -0.116 28.1-107.1 -72.6 179.3 -2.8 42.2 136.6 41 77 A D S > S+ 0 0 128 1,-0.2 3,-0.8 2,-0.2 -1,-0.1 0.686 111.8 75.2 -82.9 -18.4 -0.7 44.7 138.5 42 78 A M T 3 S+ 0 0 25 1,-0.2 301,-2.6 300,-0.1 302,-0.3 0.837 95.0 49.1 -59.2 -37.3 0.4 42.0 140.9 43 79 A L T 3 S+ 0 0 3 -3,-0.3 -1,-0.2 299,-0.2 -2,-0.2 0.591 83.7 117.4 -80.3 -13.3 2.8 40.6 138.3 44 80 A E < - 0 0 66 -3,-0.8 2,-0.4 -4,-0.2 300,-0.4 -0.342 44.4-171.6 -60.8 129.6 4.3 44.0 137.5 45 81 A V E -A 52 0A 2 7,-2.9 7,-2.6 94,-0.1 2,-0.6 -0.985 14.9-160.9-130.5 128.2 8.0 44.2 138.4 46 82 A K E +A 51 0A 153 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.931 39.4 123.8-107.0 120.6 10.3 47.3 138.3 47 83 A V E > +A 50 0A 22 3,-2.0 3,-1.9 -2,-0.6 -2,-0.1 -0.960 53.9 35.5-168.3 158.3 13.9 46.4 138.2 48 84 A L T 3 S- 0 0 26 -2,-0.3 160,-0.3 1,-0.3 3,-0.1 0.781 128.2 -66.1 59.0 27.4 17.0 47.0 136.0 49 85 A G T 3 S+ 0 0 55 1,-0.2 -1,-0.3 158,-0.1 2,-0.3 0.605 117.8 94.2 72.3 11.6 15.7 50.6 135.5 50 86 A H E < S-A 47 0A 21 -3,-1.9 -3,-2.0 89,-0.0 2,-0.4 -0.837 71.7-119.7-132.1 168.4 12.7 49.2 133.6 51 87 A K E -A 46 0A 68 85,-0.3 2,-0.5 -2,-0.3 -5,-0.2 -0.923 20.0-165.8-111.2 132.1 9.1 48.1 134.1 52 88 A F E -A 45 0A 0 -7,-2.6 -7,-2.9 -2,-0.4 88,-0.2 -0.976 13.8-154.6-119.7 120.4 7.9 44.6 133.3 53 89 A R S S+ 0 0 107 86,-2.8 -10,-0.1 -2,-0.5 -1,-0.1 0.850 87.2 9.8 -59.8 -35.9 4.2 44.0 133.1 54 90 A N S S- 0 0 0 85,-0.4 -1,-0.2 -10,-0.1 -10,-0.1 -0.989 73.2-127.6-143.3 148.8 4.8 40.3 134.0 55 91 A P S S+ 0 0 0 0, 0.0 255,-2.9 0, 0.0 2,-0.7 0.293 76.9 99.4 -80.8 10.1 7.9 38.5 135.3 56 92 A V E +b 310 0B 0 20,-0.2 22,-2.6 253,-0.2 23,-0.6 -0.842 48.2 172.4-105.1 107.1 8.0 35.7 132.7 57 93 A G E -bc 311 79B 0 253,-2.6 255,-1.9 -2,-0.7 2,-0.6 -0.656 37.8-107.9-108.9 165.2 10.3 36.1 129.8 58 94 A I E -bc 312 80B 1 21,-1.9 23,-1.3 -2,-0.2 255,-0.2 -0.827 43.2-125.6 -90.6 124.4 11.5 33.9 126.9 59 95 A A > - 0 0 5 253,-2.0 3,-1.0 -2,-0.6 4,-0.3 -0.195 30.4 -86.7 -67.5 159.0 15.1 32.9 127.6 60 96 A A T 3 S+ 0 0 14 1,-0.2 24,-0.1 2,-0.1 -1,-0.1 -0.283 105.4 55.1 -63.9 150.7 18.0 33.4 125.1 61 97 A G T 3 S+ 0 0 11 22,-0.9 3,-0.3 20,-0.2 -1,-0.2 0.129 88.2 76.7 112.8 -22.8 18.4 30.7 122.5 62 98 A F S < S+ 0 0 11 -3,-1.0 2,-0.8 19,-0.3 3,-0.2 0.940 106.0 27.4 -83.7 -55.7 15.0 30.6 121.0 63 99 A D S > S+ 0 0 1 18,-0.5 20,-3.6 -4,-0.3 3,-1.0 -0.714 73.0 166.1-107.4 77.0 15.2 33.7 118.8 64 100 A K T 3 S+ 0 0 21 -2,-0.8 20,-0.5 -3,-0.3 -1,-0.2 0.828 76.5 34.1 -61.2 -34.5 18.9 33.8 118.2 65 101 A N T 3 S- 0 0 12 18,-0.2 -1,-0.2 -3,-0.2 59,-0.1 0.124 110.7-107.0-113.0 22.0 18.7 36.4 115.3 66 102 A G S < S+ 0 0 6 -3,-1.0 -2,-0.1 1,-0.1 16,-0.1 0.932 75.4 133.1 55.2 52.5 15.8 38.6 116.4 67 103 A E S S+ 0 0 84 1,-0.1 4,-0.1 2,-0.1 -1,-0.1 0.655 73.5 31.9-103.6 -21.5 13.3 37.2 113.8 68 104 A A S > S+ 0 0 2 1,-0.1 4,-2.2 2,-0.1 5,-0.2 0.021 72.5 126.2-128.2 29.3 10.3 36.7 116.0 69 105 A V H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.953 80.3 43.2 -51.0 -61.1 10.4 39.4 118.7 70 106 A D H > S+ 0 0 53 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.862 112.3 54.1 -56.7 -38.0 6.9 40.7 118.2 71 107 A G H > S+ 0 0 4 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.884 106.9 53.0 -64.0 -36.4 5.5 37.2 117.9 72 108 A L H ><>S+ 0 0 1 -4,-2.2 5,-1.3 -3,-0.4 3,-0.6 0.906 106.9 48.9 -65.9 -44.6 7.0 36.3 121.2 73 109 A Y H ><5S+ 0 0 19 -4,-1.9 3,-2.1 1,-0.3 -1,-0.2 0.903 107.7 58.8 -60.9 -38.2 5.5 39.3 123.1 74 110 A K H 3<5S+ 0 0 110 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.787 95.3 62.1 -61.7 -27.4 2.2 38.2 121.5 75 111 A L T <<5S- 0 0 18 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.578 129.4 -95.2 -75.6 -6.3 2.5 34.8 123.1 76 112 A G T < 5 + 0 0 17 -3,-2.1 -20,-0.2 -4,-0.3 -3,-0.2 0.439 69.8 154.1 110.7 0.6 2.3 36.6 126.5 77 113 A F < - 0 0 1 -5,-1.3 -1,-0.3 1,-0.1 -20,-0.2 -0.381 40.3-147.6 -67.5 138.5 6.0 37.1 127.5 78 114 A G S S+ 0 0 0 -22,-2.6 -25,-0.3 1,-0.2 2,-0.3 0.715 85.0 4.4 -74.7 -23.2 6.8 40.0 129.8 79 115 A F E -c 57 0B 0 -23,-0.6 -21,-1.9 61,-0.2 2,-0.4 -0.984 66.5-139.6-160.0 153.2 10.2 40.4 128.1 80 116 A V E -cd 58 142B 0 61,-1.5 63,-3.4 -2,-0.3 2,-0.6 -0.967 8.0-158.5-120.1 133.4 12.1 38.9 125.2 81 117 A E E - d 0 143B 1 -23,-1.3 -18,-0.5 -2,-0.4 -19,-0.3 -0.944 20.6-138.4-116.1 119.1 15.8 38.1 125.2 82 118 A V E - d 0 144B 0 61,-2.9 63,-3.0 -2,-0.6 -18,-0.2 -0.536 35.8 -63.2 -86.1 145.3 17.4 37.8 121.7 83 119 A G E - d 0 145B 0 -20,-3.6 -22,-0.9 -2,-0.2 2,-0.2 -0.011 52.0 -99.8 40.3-116.4 19.8 35.4 120.4 84 120 A S E - 0 0 6 61,-0.6 2,-0.5 -20,-0.5 62,-0.2 0.033 58.8-157.9 148.9 102.1 23.3 34.9 121.8 85 121 A V E - d 0 146B 1 60,-1.8 62,-3.3 -2,-0.2 30,-0.1 -0.960 10.0-151.1-108.6 134.6 24.5 37.0 118.9 86 122 A T - 0 0 0 -2,-0.5 32,-0.7 60,-0.2 62,-0.2 -0.779 21.9-120.4-106.3 150.9 28.1 36.9 117.7 87 123 A P S S+ 0 0 9 0, 0.0 31,-1.3 0, 0.0 32,-0.6 0.952 100.4 30.4 -50.3 -60.6 30.0 39.8 116.0 88 124 A Q S S- 0 0 132 29,-0.2 29,-0.2 30,-0.1 2,-0.2 -0.602 102.0 -95.8 -97.0 161.8 30.7 37.8 112.7 89 125 A P - 0 0 84 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.513 45.4-179.4 -75.3 146.3 28.3 35.2 111.4 90 126 A Q B -J 115 0C 34 25,-1.8 25,-2.4 -2,-0.2 -4,-0.1 -0.984 30.1-143.0-148.9 139.3 29.2 31.6 112.3 91 127 A E - 0 0 177 -2,-0.3 23,-0.2 23,-0.2 2,-0.1 0.782 40.2-149.1 -71.1 -29.8 27.6 28.3 111.5 92 128 A G - 0 0 28 21,-0.2 20,-0.3 20,-0.1 -1,-0.2 -0.375 43.7 -12.3 90.2-171.2 28.2 26.6 114.8 93 129 A N S S- 0 0 49 18,-2.2 4,-0.1 17,-0.3 17,-0.1 -0.208 79.2 -95.3 -65.2 152.2 28.8 22.9 115.6 94 130 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 16,-0.0 -0.377 62.4 -63.4 -68.6 147.9 28.1 20.2 112.9 95 131 A R S S+ 0 0 147 2,-0.1 2,-0.1 -2,-0.1 16,-0.0 -0.395 107.5 52.5 -82.2 156.6 24.7 18.5 113.0 96 132 A P + 0 0 86 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.555 68.3 142.9 -71.6 148.6 23.0 16.8 114.6 97 133 A R + 0 0 11 1,-0.2 13,-2.6 -2,-0.1 2,-0.4 0.288 50.0 67.8-138.1 6.4 23.4 19.2 117.5 98 134 A V E -K 109 0D 17 11,-0.2 2,-0.4 12,-0.1 -78,-0.3 -0.997 60.1-172.6-132.2 128.4 20.0 19.2 119.2 99 135 A F E -K 108 0D 11 9,-3.2 9,-2.2 -2,-0.4 2,-0.4 -0.975 14.6-138.0-131.1 138.1 18.5 16.2 121.0 100 136 A R E -K 107 0D 49 -2,-0.4 154,-0.3 7,-0.2 7,-0.2 -0.726 13.5-176.5 -96.2 133.2 15.1 15.5 122.6 101 137 A L E >>> +K 106 0D 0 5,-2.6 5,-2.8 -2,-0.4 3,-0.9 -0.699 13.5 169.8-124.6 75.0 14.6 13.8 125.9 102 138 A P G >45S+ 0 0 53 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.897 74.9 53.8 -52.4 -53.0 10.7 13.6 126.0 103 139 A E G 345S+ 0 0 115 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.737 116.1 41.1 -59.4 -22.7 10.5 11.3 129.1 104 140 A D G <45S- 0 0 12 -3,-0.9 160,-0.3 2,-0.2 -1,-0.3 0.466 105.4-127.4-102.2 -4.6 12.6 13.8 131.0 105 141 A Q T <<5S+ 0 0 89 -3,-1.3 159,-1.4 -4,-0.6 2,-0.3 0.914 73.6 122.2 57.0 39.7 10.9 16.9 129.5 106 142 A A E < -KL 101 263D 0 -5,-2.8 -5,-2.6 157,-0.2 2,-0.3 -0.822 50.2-156.3-130.8 169.3 14.4 17.9 128.7 107 143 A V E -KL 100 262D 11 155,-1.5 155,-2.1 -2,-0.3 2,-0.4 -0.927 5.8-152.1-140.1 160.1 16.6 18.8 125.7 108 144 A I E +KL 99 261D 0 -9,-2.2 -9,-3.2 -2,-0.3 2,-0.4 -0.984 20.1 178.5-137.3 125.0 20.3 18.7 125.1 109 145 A N E +KL 98 260D 49 151,-2.0 151,-3.0 -2,-0.4 -11,-0.2 -0.961 27.3 175.2-132.3 150.0 22.0 21.1 122.6 110 146 A R + 0 0 67 -13,-2.6 -17,-0.3 -2,-0.4 -12,-0.1 -0.321 26.9 150.4-142.0 48.2 25.4 21.9 121.4 111 147 A Y - 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0 0 142 -3,-1.2 -3,-0.2 1,-0.3 -4,-0.1 0.775 64.4 -66.5 52.7 31.1 23.6 39.9 150.0 283 326 A G T 3 S- 0 0 22 1,-0.1 4,-2.0 32,-0.1 -1,-0.2 -0.982 82.4 -98.8-161.7 166.5 4.5 26.2 136.2 296 339 A G H > S+ 0 0 0 -2,-0.3 4,-2.5 30,-0.3 5,-0.2 0.864 122.2 54.9 -60.1 -34.5 3.6 29.1 138.4 297 340 A Q H > S+ 0 0 61 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 105.2 49.6 -67.9 -40.4 4.9 27.2 141.3 298 341 A D H > S+ 0 0 11 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.898 112.8 51.1 -63.5 -37.0 8.4 26.5 139.7 299 342 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.904 108.7 49.1 -65.6 -42.1 8.3 30.3 139.1 300 343 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.841 107.2 55.1 -68.0 -33.5 7.5 31.1 142.7 301 344 A E H X S+ 0 0 48 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.886 109.8 47.5 -66.7 -35.3 10.3 28.9 144.0 302 345 A K H X>S+ 0 0 0 -4,-1.6 5,-2.4 2,-0.2 4,-0.5 0.905 112.7 48.3 -70.5 -41.2 12.8 30.8 141.8 303 346 A I H ><5S+ 0 0 0 -4,-2.1 45,-2.3 3,-0.2 3,-0.9 0.905 112.3 47.9 -66.8 -41.1 11.5 34.2 143.0 304 347 A Q H 3<5S+ 0 0 22 -4,-2.6 46,-2.0 43,-0.3 47,-0.6 0.824 105.0 59.9 -69.9 -28.4 11.6 33.2 146.6 305 348 A A H 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.2 -27,-0.2 0.674 139.5 -78.5 -71.1 -15.7 15.1 31.8 146.2 306 349 A G T <<5S+ 0 0 1 -3,-0.9 -19,-0.4 -4,-0.5 2,-0.2 0.436 85.0 137.2 134.5 1.4 16.0 35.4 145.1 307 350 A A < - 0 0 0 -5,-2.4 -1,-0.3 1,-0.1 -19,-0.2 -0.563 32.0-170.7 -83.1 141.5 14.8 36.0 141.5 308 351 A S S S+ 0 0 15 -21,-3.0 2,-0.3 1,-0.3 -20,-0.2 0.622 81.7 15.2 -96.7 -22.9 13.1 39.2 140.4 309 352 A L E S- i 0 288B 1 -22,-1.3 -20,-3.3 -7,-0.1 2,-0.3 -0.949 70.2-152.6-145.0 160.8 12.3 37.8 137.0 310 353 A V E -bi 56 289B 0 -255,-2.9 -253,-2.6 -2,-0.3 2,-0.3 -0.890 4.6-160.4-133.8 165.2 12.2 34.3 135.5 311 354 A Q E -bi 57 290B 0 -22,-1.7 -20,-0.7 -2,-0.3 -18,-0.3 -0.963 4.6-167.6-143.2 157.0 12.6 32.9 132.0 312 355 A L E +b 58 0B 4 -255,-1.9 -253,-2.0 -2,-0.3 -18,-0.1 -0.965 22.6 149.9-145.9 160.1 11.6 29.7 130.3 313 356 A Y S >> S+ 0 0 53 -2,-0.3 4,-1.2 -20,-0.2 3,-0.7 0.261 73.4 52.7-152.5 -63.1 12.4 27.9 127.1 314 357 A T H 3> S+ 0 0 11 1,-0.3 4,-1.3 2,-0.2 3,-0.2 0.844 103.8 60.5 -57.8 -35.2 12.2 24.1 127.3 315 358 A A H 3>>S+ 0 0 13 -22,-0.4 4,-3.1 1,-0.2 5,-0.5 0.907 103.2 52.3 -58.5 -40.4 8.8 24.1 128.8 316 359 A L H <>5S+ 0 0 16 -3,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.830 101.6 61.3 -63.5 -34.5 7.6 25.9 125.7 317 360 A I H <5S+ 0 0 52 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.861 119.0 24.8 -61.5 -38.1 9.1 23.1 123.5 318 361 A F H <5S+ 0 0 24 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.775 134.3 32.2 -98.5 -32.7 6.9 20.4 125.1 319 362 A L H <5S- 0 0 41 -4,-3.1 -3,-0.2 -5,-0.2 -313,-0.2 0.653 94.1-153.0-100.0 -20.6 3.9 22.4 126.3 320 363 A G ><< - 0 0 0 -4,-1.5 3,-1.9 -5,-0.5 4,-0.3 -0.183 49.6 -28.7 78.2-173.7 3.7 25.1 123.7 321 364 A P T >> S+ 0 0 37 0, 0.0 3,-1.9 0, 0.0 4,-0.8 0.818 125.0 68.9 -45.5 -46.4 2.2 28.7 123.9 322 365 A P H 3> S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.766 86.4 71.2 -49.8 -27.0 -0.4 27.8 126.6 323 366 A V H <> S+ 0 0 1 -3,-1.9 4,-2.4 1,-0.2 5,-0.2 0.826 92.8 54.9 -61.2 -33.0 2.4 27.3 129.1 324 367 A V H <> S+ 0 0 0 -3,-1.9 4,-1.8 -4,-0.3 -1,-0.2 0.919 111.1 44.1 -66.3 -44.0 3.2 31.0 129.3 325 368 A V H X S+ 0 0 55 -4,-0.8 4,-2.4 1,-0.2 -2,-0.2 0.905 114.0 50.7 -66.9 -43.1 -0.4 31.8 130.2 326 369 A R H X S+ 0 0 58 -4,-2.5 4,-2.7 2,-0.2 -30,-0.3 0.902 108.8 50.4 -63.9 -42.3 -0.6 29.0 132.7 327 370 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.940 113.0 45.4 -63.5 -46.2 2.6 30.0 134.5 328 371 A K H X S+ 0 0 24 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.916 114.3 49.2 -62.7 -44.3 1.5 33.6 134.9 329 372 A R H X S+ 0 0 179 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.921 115.1 43.8 -60.9 -46.6 -2.0 32.6 136.0 330 373 A E H X S+ 0 0 66 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.912 109.9 55.1 -68.1 -42.4 -0.6 30.1 138.6 331 374 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.933 110.3 47.4 -56.0 -45.2 2.0 32.5 139.8 332 375 A E H X S+ 0 0 50 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.938 113.2 47.1 -61.9 -47.7 -0.7 35.1 140.5 333 376 A A H X S+ 0 0 55 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.915 114.6 47.4 -59.8 -43.7 -2.9 32.6 142.3 334 377 A L H X S+ 0 0 39 -4,-3.1 4,-2.1 2,-0.2 6,-0.2 0.888 106.8 55.5 -66.9 -41.4 -0.0 31.2 144.4 335 378 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.3 -1,-0.2 0.914 110.9 46.4 -57.3 -43.7 1.2 34.7 145.4 336 379 A K H ><5S+ 0 0 114 -4,-1.8 3,-2.4 1,-0.2 -2,-0.2 0.979 112.0 49.6 -60.1 -57.8 -2.2 35.5 146.8 337 380 A E H 3<5S+ 0 0 128 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.763 112.6 48.6 -54.2 -29.5 -2.5 32.2 148.6 338 381 A R T 3<5S- 0 0 91 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.208 120.8-103.4 -99.2 14.5 0.9 32.6 150.1 339 382 A G T < 5S+ 0 0 62 -3,-2.4 2,-0.6 1,-0.2 -3,-0.2 0.479 73.6 135.6 84.0 3.0 0.3 36.2 151.3 340 383 A F < - 0 0 32 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.765 37.8-163.9 -90.5 122.7 2.2 38.3 148.8 341 384 A T S S+ 0 0 99 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.749 79.4 11.3 -73.5 -22.7 0.3 41.3 147.5 342 385 A T S >> S- 0 0 44 -7,-0.1 3,-0.6 1,-0.1 4,-0.5 -0.944 81.2-106.5-147.2 165.6 2.7 41.6 144.6 343 386 A V H >> S+ 0 0 0 -301,-2.6 3,-1.5 -2,-0.3 4,-0.6 0.890 115.7 64.0 -60.1 -41.1 5.5 39.6 143.0 344 387 A T H >4 S+ 0 0 71 -300,-0.4 3,-0.9 -302,-0.3 -1,-0.2 0.823 93.3 61.2 -52.5 -38.3 8.1 42.0 144.5 345 388 A D H <4 S+ 0 0 80 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.766 102.0 52.3 -62.8 -26.6 7.1 40.9 148.0 346 389 A A H X< S+ 0 0 0 -3,-1.5 3,-2.1 -4,-0.5 4,-0.3 0.611 77.7 116.4 -87.4 -12.4 8.1 37.3 147.4 347 390 A I T << S- 0 0 22 -3,-0.9 -43,-0.3 -4,-0.6 -44,-0.1 -0.398 93.9 -3.2 -61.9 120.2 11.6 38.0 146.0 348 391 A G T >> S+ 0 0 0 -45,-2.3 3,-1.0 -2,-0.3 4,-0.9 0.570 84.7 143.5 75.6 9.3 14.2 36.5 148.4 349 392 A A T <4 + 0 0 22 -3,-2.1 3,-0.4 1,-0.2 -44,-0.1 0.805 66.0 61.4 -50.9 -33.3 11.5 35.3 150.8 350 393 A D T 34 S+ 0 0 64 -46,-2.0 -1,-0.2 -4,-0.3 -45,-0.1 0.900 103.8 47.2 -60.5 -43.6 13.5 32.1 151.5 351 394 A H T <4 S+ 0 0 67 -3,-1.0 2,-1.3 -47,-0.6 -1,-0.2 0.646 94.9 81.8 -73.8 -16.9 16.5 34.0 152.9 352 395 A R < 0 0 139 -4,-0.9 -1,-0.2 -3,-0.4 -3,-0.0 -0.528 360.0 360.0 -92.7 69.6 14.3 36.2 155.1 353 396 A R 0 0 287 -2,-1.3 -2,-0.1 -3,-0.1 -1,-0.1 0.065 360.0 360.0-151.8 360.0 13.8 33.9 158.0