==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-DEC-06 2E6D . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR D.K.INAOKA,H.SHIMIZU,K.SAKAMOTO,T.SHIBA,G.KURISU,T.NARA,T.AO . 624 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 424 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 4 0.6 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 . 25 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 0 0 2 0 0 2 4 1 1 0 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 2 6 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 2 6 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 . 2 2 2 0 0 0 0 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 0 A M 0 0 124 0, 0.0 2,-0.3 0, 0.0 300,-0.1 0.000 360.0 360.0 360.0 126.8 32.5 33.0 92.5 2 1 A a - 0 0 88 298,-0.2 12,-0.1 2,-0.1 11,-0.0 -0.895 360.0-128.8-130.2 161.0 31.3 35.9 90.2 3 2 A L + 0 0 10 10,-0.3 9,-0.0 -2,-0.3 298,-0.0 0.144 53.7 147.4 -96.5 14.3 28.7 36.2 87.4 4 3 A K + 0 0 128 10,-0.1 2,-0.3 11,-0.0 9,-0.2 -0.176 19.5 169.8 -58.1 144.1 31.1 37.8 84.9 5 4 A L E -A 12 0A 18 7,-2.8 7,-3.7 9,-0.1 2,-0.4 -0.989 28.9-135.2-153.8 158.1 30.6 37.0 81.2 6 5 A N E +A 11 0A 104 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.976 31.8 153.8-119.6 133.4 31.6 37.9 77.6 7 6 A L E > +A 10 0A 21 3,-2.4 3,-1.9 -2,-0.4 -2,-0.0 -0.977 62.9 8.1-153.0 142.6 29.1 38.3 74.7 8 7 A L T 3 S- 0 0 39 -2,-0.3 3,-0.1 1,-0.3 182,-0.0 0.849 128.9 -58.9 57.6 34.4 29.0 40.3 71.4 9 8 A D T 3 S+ 0 0 164 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.709 118.2 105.0 61.8 25.4 32.7 41.3 71.9 10 9 A H E < -A 7 0A 40 -3,-1.9 -3,-2.4 84,-0.0 2,-0.4 -0.941 66.6-129.9-128.9 156.6 31.9 43.0 75.2 11 10 A V E -A 6 0A 75 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.870 21.3-164.5-105.7 137.0 32.5 42.0 78.8 12 11 A F E -A 5 0A 1 -7,-3.7 -7,-2.8 -2,-0.4 28,-0.1 -0.986 20.8-145.1-125.1 134.1 29.6 42.1 81.3 13 12 A A S S- 0 0 63 26,-0.4 -10,-0.3 -2,-0.4 26,-0.1 0.760 86.5 -12.6 -66.9 -24.3 29.9 42.0 85.1 14 13 A N S S- 0 0 7 2,-0.2 -1,-0.1 -9,-0.1 -9,-0.1 -0.955 74.8-100.4-167.0 165.8 26.7 39.9 85.4 15 14 A P S S+ 0 0 0 0, 0.0 254,-3.1 0, 0.0 2,-0.3 0.490 82.9 109.4 -79.2 2.5 23.8 39.0 83.1 16 15 A F E +b 269 0B 0 252,-0.2 23,-2.1 21,-0.2 24,-1.3 -0.552 32.1 146.9 -89.2 140.1 21.4 41.7 84.4 17 16 A M E -b 270 0B 0 252,-1.7 254,-1.6 -2,-0.3 24,-0.2 -0.961 48.1 -90.0-150.6 167.4 20.1 44.8 82.7 18 17 A N E -b 271 0B 0 22,-0.5 2,-0.3 -2,-0.3 254,-0.2 -0.429 43.2-111.8 -69.7 155.9 17.0 47.0 82.6 19 18 A A > - 0 0 5 252,-1.9 3,-2.0 251,-0.1 23,-0.1 -0.696 48.1 -89.1 -78.0 142.6 14.3 46.1 80.1 20 19 A A T 3 S+ 0 0 17 -2,-0.3 24,-0.2 1,-0.2 -1,-0.1 -0.204 115.2 30.8 -52.4 146.0 14.0 48.9 77.4 21 20 A G T 3 S+ 0 0 28 21,-0.2 2,-0.6 1,-0.2 3,-0.3 0.112 97.4 99.8 91.9 -22.6 11.5 51.6 78.5 22 21 A V S < S- 0 0 22 -3,-2.0 20,-0.2 1,-0.2 -1,-0.2 -0.880 101.3 -19.5-107.6 122.0 12.2 51.2 82.3 23 22 A L S S+ 0 0 38 -2,-0.6 10,-0.3 1,-0.1 -1,-0.2 0.910 116.3 90.7 54.7 49.8 14.5 53.7 84.0 24 23 A C + 0 0 0 -3,-0.3 20,-2.3 8,-0.1 -2,-0.1 0.234 46.3 94.8-159.6 22.2 16.1 54.8 80.7 25 24 A S S S+ 0 0 31 18,-0.2 50,-0.5 -4,-0.1 2,-0.2 0.755 83.5 38.9 -93.7 -35.2 14.4 57.7 79.2 26 25 A T S > S- 0 0 50 1,-0.1 4,-2.4 48,-0.1 5,-0.2 -0.733 86.5-106.0-116.4 168.9 16.4 60.8 80.4 27 26 A E H > S+ 0 0 74 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.924 123.4 54.6 -59.2 -41.8 20.1 61.5 81.1 28 27 A E H > S+ 0 0 154 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 108.7 46.8 -57.3 -45.7 19.2 61.2 84.8 29 28 A D H > S+ 0 0 31 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.918 113.4 48.3 -60.3 -46.1 17.7 57.7 84.3 30 29 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.884 110.5 50.7 -69.2 -37.2 20.6 56.5 82.2 31 30 A R H X S+ 0 0 123 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.891 110.8 50.9 -63.2 -40.9 23.1 57.9 84.8 32 31 A C H X S+ 0 0 47 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.952 110.4 47.2 -61.2 -52.9 21.2 56.0 87.5 33 32 A M H < S+ 0 0 0 -4,-2.9 5,-0.3 -10,-0.3 3,-0.3 0.888 111.9 52.3 -55.2 -40.4 21.2 52.7 85.5 34 33 A T H < S+ 0 0 18 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.884 109.5 48.4 -64.0 -40.0 25.0 53.2 84.9 35 34 A A H < S+ 0 0 91 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.648 97.8 90.8 -73.9 -17.5 25.6 53.7 88.6 36 35 A S S < S- 0 0 23 -4,-1.3 245,-0.1 -3,-0.3 -3,-0.0 -0.094 92.9-108.2 -68.1 175.4 23.6 50.6 89.5 37 36 A S S S+ 0 0 38 243,-0.5 -21,-0.2 -24,-0.0 -1,-0.1 0.379 74.7 130.2 -92.3 10.1 25.1 47.1 89.8 38 37 A S - 0 0 5 -5,-0.3 -21,-0.2 1,-0.1 -25,-0.2 -0.186 64.5-129.5 -57.4 150.3 23.5 46.0 86.5 39 38 A G S S- 0 0 2 -23,-2.1 -26,-0.4 -27,-0.1 2,-0.3 0.716 83.6 -12.7 -75.0 -22.3 25.8 44.3 84.0 40 39 A A - 0 0 0 -24,-1.3 -22,-0.5 53,-0.2 2,-0.3 -0.928 63.4-134.8-159.9 178.1 24.5 46.6 81.2 41 40 A L E -c 95 0B 0 53,-1.3 55,-2.4 -2,-0.3 2,-0.4 -0.981 4.7-152.4-141.3 160.4 21.8 49.1 80.3 42 41 A V E -c 96 0B 0 -2,-0.3 55,-0.2 53,-0.2 -21,-0.2 -0.987 21.5-126.2-131.3 139.7 19.5 49.8 77.4 43 42 A S - 0 0 2 53,-2.2 55,-0.3 -2,-0.4 -18,-0.2 -0.357 40.3 -80.5 -80.0 164.2 18.1 53.2 76.5 44 43 A K - 0 0 19 -20,-2.3 -1,-0.1 -24,-0.2 54,-0.1 -0.405 57.0 -94.8 -60.3 138.5 14.3 53.9 76.0 45 44 A S - 0 0 4 54,-0.1 54,-0.3 -2,-0.1 2,-0.2 -0.345 56.9-158.6 -56.3 123.8 13.0 52.9 72.5 46 45 A C B -d 99 0B 0 52,-1.5 54,-3.1 -2,-0.1 2,-0.3 -0.653 19.5-152.9-114.5 165.4 13.3 56.1 70.5 47 46 A T - 0 0 3 2,-0.3 30,-2.4 -2,-0.2 54,-0.1 -0.801 40.1 -98.5-123.8 167.9 11.9 57.7 67.4 48 47 A S S S+ 0 0 42 -2,-0.3 30,-0.6 28,-0.2 29,-0.1 0.916 110.1 37.0 -55.3 -45.6 13.4 60.3 65.0 49 48 A A S S- 0 0 58 27,-0.2 27,-0.3 28,-0.1 -2,-0.3 -0.759 101.3 -93.9-105.2 153.4 11.6 63.2 66.7 50 49 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 25,-0.2 -0.260 43.1-155.4 -56.8 155.9 10.8 63.6 70.4 51 50 A R B -J 74 0C 70 23,-2.5 23,-1.6 1,-0.1 25,-0.1 -1.000 25.2-155.8-138.5 136.3 7.4 62.2 71.5 52 51 A D - 0 0 152 -2,-0.3 20,-0.1 1,-0.2 -1,-0.1 0.667 45.0-152.3 -77.3 -21.3 5.1 63.1 74.4 53 52 A G - 0 0 26 19,-0.3 18,-0.3 18,-0.2 -1,-0.2 -0.272 35.9 -21.4 77.7-166.8 3.5 59.6 74.1 54 53 A N S S- 0 0 15 16,-3.2 4,-0.1 15,-0.2 2,-0.1 -0.259 79.3 -83.0 -78.2 161.3 -0.0 58.5 75.1 55 54 A P - 0 0 68 0, 0.0 158,-0.3 0, 0.0 -1,-0.1 -0.384 63.7 -76.3 -65.5 144.1 -2.4 60.4 77.6 56 55 A E S S+ 0 0 137 157,-0.1 2,-0.1 156,-0.1 156,-0.1 -0.491 106.3 56.2 -81.8 154.2 -2.0 59.7 81.4 57 56 A P + 0 0 56 0, 0.0 156,-2.9 0, 0.0 3,-0.1 0.471 70.0 142.8 -71.7 141.8 -2.6 57.6 83.4 58 57 A R + 0 0 38 1,-0.2 11,-2.7 154,-0.2 2,-0.4 0.360 53.8 50.4-136.2 3.2 -0.7 55.2 81.2 59 58 A Y E +K 68 0D 58 9,-0.2 2,-0.3 152,-0.1 -1,-0.2 -0.991 56.5 171.8-137.2 136.2 1.2 52.8 83.6 60 59 A M E -K 67 0D 70 7,-2.5 7,-2.2 -2,-0.4 2,-0.3 -0.980 14.7-153.5-142.3 137.2 -0.3 50.9 86.6 61 60 A A E +K 66 0D 32 -2,-0.3 5,-0.2 5,-0.2 162,-0.0 -0.816 13.6 176.1-110.5 150.7 1.2 48.2 88.8 62 61 A F E > -K 65 0D 65 3,-3.3 3,-1.5 -2,-0.3 -2,-0.0 -0.859 49.8 -88.9-142.7 165.1 -0.5 45.4 90.7 63 62 A P T 3 S+ 0 0 117 0, 0.0 161,-0.2 0, 0.0 3,-0.1 0.866 127.7 42.2 -49.8 -36.6 0.7 42.5 92.9 64 63 A L T 3 S- 0 0 40 1,-0.2 161,-1.6 159,-0.1 2,-0.3 0.501 126.6 -72.9 -94.3 -2.4 0.9 40.3 89.8 65 64 A G E < -K 62 0D 1 -3,-1.5 -3,-3.3 158,-0.2 2,-0.3 -0.998 54.3 -65.4 151.5-154.9 2.4 42.8 87.4 66 65 A S E -KL 61 222D 5 156,-2.0 156,-1.9 -2,-0.3 2,-0.3 -0.901 17.4-154.3-135.4 166.3 1.8 45.8 85.3 67 66 A I E +KL 60 221D 0 -7,-2.2 -7,-2.5 -2,-0.3 2,-0.3 -0.980 24.4 170.2-134.3 143.0 -0.2 47.2 82.4 68 67 A N E -KL 59 220D 24 152,-1.3 152,-2.6 -2,-0.3 -9,-0.2 -0.996 32.5-175.8-150.8 151.8 1.0 50.2 80.3 69 68 A S + 0 0 0 -11,-2.7 -15,-0.2 -2,-0.3 -10,-0.1 -0.467 26.7 156.7-137.2 66.7 0.3 52.1 77.2 70 69 A M - 0 0 49 -17,-0.1 -16,-3.2 1,-0.1 -1,-0.1 0.913 38.8-145.4 -59.1 -45.0 3.2 54.6 77.3 71 70 A G - 0 0 1 -18,-0.3 -18,-0.2 1,-0.1 -1,-0.1 0.800 56.9 -66.8 80.8 33.4 3.1 55.2 73.5 72 71 A L - 0 0 6 1,-0.2 2,-0.3 -19,-0.1 -19,-0.3 0.853 66.1-175.8 56.1 47.9 6.8 55.7 73.0 73 72 A P + 0 0 18 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 -0.571 24.1 147.5 -68.5 128.3 7.3 58.9 75.0 74 73 A N B -J 51 0C 9 -23,-1.6 -23,-2.5 -2,-0.3 3,-0.1 -0.984 60.9-111.9-161.5 160.8 11.0 59.7 74.4 75 74 A L S S- 0 0 81 -50,-0.5 4,-0.3 -2,-0.3 3,-0.1 0.482 71.5 -97.1 -78.7 -4.3 13.5 62.5 74.1 76 75 A G >> - 0 0 2 -27,-0.3 4,-1.5 1,-0.1 3,-0.8 0.082 33.1 -84.3 100.5 148.0 14.2 61.8 70.4 77 76 A F H 3> S+ 0 0 0 -30,-2.4 4,-2.9 1,-0.2 5,-0.3 0.848 122.8 64.4 -55.4 -39.3 16.9 59.8 68.7 78 77 A D H 3> S+ 0 0 84 -30,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.911 105.1 47.6 -51.4 -45.2 19.3 62.9 68.6 79 78 A F H <> S+ 0 0 35 -3,-0.8 4,-2.4 -4,-0.3 -1,-0.2 0.925 113.5 43.8 -61.3 -49.6 19.3 62.7 72.4 80 79 A Y H X S+ 0 0 2 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.896 113.6 52.1 -69.1 -35.3 20.0 58.9 72.8 81 80 A L H X S+ 0 0 22 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.926 110.7 48.2 -62.2 -45.3 22.6 59.0 70.0 82 81 A K H X>S+ 0 0 102 -4,-2.1 4,-2.9 -5,-0.3 5,-1.1 0.875 109.0 53.5 -62.8 -41.5 24.4 61.9 71.9 83 82 A Y H X>S+ 0 0 4 -4,-2.4 5,-3.0 3,-0.2 4,-1.2 0.959 113.7 43.4 -53.6 -51.2 24.2 59.9 75.1 84 83 A A H <5S+ 0 0 0 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.880 121.2 38.7 -62.9 -42.5 25.9 57.0 73.4 85 84 A S H <5S+ 0 0 27 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.870 135.5 9.4 -81.5 -35.8 28.5 59.0 71.5 86 85 A D H <5S+ 0 0 119 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.665 126.6 39.2-118.0 -28.8 29.4 61.6 74.2 87 86 A L T <> - 0 0 69 -2,-0.2 3,-1.8 1,-0.2 4,-1.0 -0.756 17.7-174.4 -90.2 94.9 31.0 55.8 80.4 90 89 A Y T 34 S+ 0 0 55 -2,-1.1 -1,-0.2 1,-0.3 -2,-0.0 0.621 78.0 71.6 -68.8 -10.2 31.7 52.6 78.6 91 90 A S T 34 S+ 0 0 101 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.754 98.2 50.8 -72.9 -21.5 34.3 51.7 81.3 92 91 A K T <4 S- 0 0 138 -3,-1.8 -2,-0.2 1,-0.3 -1,-0.1 0.948 128.4 -42.3 -79.1 -50.3 31.3 51.1 83.7 93 92 A K < - 0 0 13 -4,-1.0 -1,-0.3 -81,-0.1 -53,-0.2 -0.966 66.2 -78.1-172.2 161.2 29.3 48.8 81.5 94 93 A P - 0 0 10 0, 0.0 -53,-1.3 0, 0.0 2,-0.4 -0.281 40.7-140.3 -66.7 156.8 28.1 48.2 77.9 95 94 A L E -c 41 0B 2 -55,-0.2 29,-2.4 27,-0.2 2,-0.4 -0.967 9.6-162.0-124.4 135.1 25.2 50.2 76.4 96 95 A F E -ce 42 124B 0 -55,-2.4 -53,-2.2 -2,-0.4 2,-0.6 -0.928 10.5-151.8-107.5 137.9 22.4 49.0 74.1 97 96 A L E - e 0 125B 1 27,-3.1 29,-2.4 -2,-0.4 2,-0.4 -0.952 10.1-153.3-111.2 122.1 20.4 51.7 72.2 98 97 A S E - e 0 126B 0 -2,-0.6 -52,-1.5 -55,-0.3 2,-0.4 -0.798 10.2-169.8 -94.1 134.2 16.8 50.7 71.4 99 98 A I E +de 46 127B 0 27,-2.0 29,-2.8 -2,-0.4 -52,-0.2 -0.970 13.0 177.0-122.8 142.9 15.1 52.2 68.4 100 99 A S - 0 0 5 -54,-3.1 27,-0.1 -2,-0.4 29,-0.0 -0.446 11.3-179.7-140.6 62.0 11.4 51.9 67.6 101 100 A G - 0 0 7 1,-0.1 -54,-0.1 -54,-0.1 -2,-0.0 -0.247 33.3-127.7 -62.7 155.8 10.6 53.9 64.4 102 101 A L S S+ 0 0 40 2,-0.0 2,-0.3 5,-0.0 -1,-0.1 0.357 90.4 25.4 -89.7 4.7 7.0 53.9 63.3 103 102 A S S > S- 0 0 36 1,-0.1 4,-1.9 47,-0.0 5,-0.2 -0.957 85.1-108.3-155.1 162.2 7.9 52.8 59.7 104 103 A V H > S+ 0 0 14 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.905 120.0 57.0 -62.0 -36.5 10.8 51.0 58.0 105 104 A E H > S+ 0 0 129 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 105.3 50.1 -63.7 -40.3 11.9 54.3 56.6 106 105 A E H > S+ 0 0 37 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.927 111.4 47.8 -63.5 -46.9 12.2 55.8 60.1 107 106 A N H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.897 110.2 52.5 -59.2 -43.8 14.3 52.9 61.4 108 107 A V H X S+ 0 0 12 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.944 107.4 52.4 -57.0 -46.9 16.6 53.1 58.4 109 108 A A H X S+ 0 0 46 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.913 112.8 45.5 -57.0 -41.9 17.2 56.8 58.9 110 109 A M H >X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 3,-0.5 0.928 111.0 49.7 -70.0 -45.3 18.1 56.2 62.5 111 110 A V H 3X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.852 103.0 61.7 -68.3 -30.1 20.5 53.2 62.0 112 111 A R H 3< S+ 0 0 150 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.868 112.3 38.6 -58.9 -38.4 22.4 55.1 59.2 113 112 A R H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 3,-0.5 0.859 91.9 76.2 -67.7 -36.6 23.9 55.1 64.7 115 114 A A H 3X S+ 0 0 9 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.874 92.9 46.3 -46.2 -54.5 26.4 53.2 62.6 116 115 A P H 3> S+ 0 0 73 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.874 114.3 49.8 -61.7 -31.1 29.4 55.5 63.0 117 116 A V H S+ 0 0 18 -4,-0.7 4,-3.4 -3,-0.5 5,-0.7 0.904 110.0 50.3 -72.5 -38.0 28.8 55.7 66.7 118 117 A A H X5S+ 0 0 15 -4,-2.7 4,-1.6 3,-0.2 -1,-0.2 0.936 111.8 49.4 -62.4 -41.4 28.6 51.9 66.9 119 118 A Q H <5S+ 0 0 140 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.910 120.8 35.1 -61.8 -41.7 31.9 51.8 65.0 120 119 A E H <5S+ 0 0 151 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.902 133.8 20.4 -80.5 -42.3 33.6 54.3 67.3 121 120 A K H <5S- 0 0 92 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.641 91.4-123.1-109.9 -21.6 32.0 53.5 70.7 122 121 A G << + 0 0 20 -4,-1.6 -4,-0.2 -5,-0.7 -27,-0.2 0.628 47.2 165.3 83.9 13.4 30.7 49.9 70.5 123 122 A V - 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0 0 0 -5,-2.6 -19,-0.2 -6,-0.2 -1,-0.2 -0.298 22.4-175.6 -61.1 131.8 19.0 33.3 78.2 267 266 A S S S+ 0 0 6 -21,-3.4 2,-0.3 1,-0.3 -20,-0.2 0.891 80.9 20.7 -86.5 -57.5 22.4 34.9 77.9 268 267 A M S S- 0 0 0 -22,-0.5 -20,-2.6 -7,-0.1 2,-0.5 -0.804 76.8-145.4-103.6 158.6 21.4 38.3 79.4 269 268 A V E -bi 16 248B 0 -254,-3.1 -252,-1.7 -2,-0.3 2,-0.3 -0.990 11.4-155.1-130.1 120.5 18.3 38.8 81.6 270 269 A Q E -bi 17 249B 1 -22,-3.0 -20,-0.7 -2,-0.5 2,-0.5 -0.691 0.4-153.6 -99.1 149.0 16.3 42.0 81.4 271 270 A V E +b 18 0B 0 -254,-1.6 -252,-1.9 -2,-0.3 -249,-0.1 -0.977 26.6 151.4-129.0 115.9 14.1 43.3 84.3 272 271 A G >> + 0 0 15 -2,-0.5 4,-2.6 -254,-0.2 3,-0.7 0.699 69.5 25.0-107.8 -92.5 11.2 45.6 83.5 273 272 A T H 3> S+ 0 0 20 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.870 122.9 52.0 -46.5 -49.6 8.1 45.7 85.9 274 273 A A H 3> S+ 0 0 5 -22,-0.3 4,-3.2 1,-0.2 5,-0.4 0.893 112.5 46.4 -58.7 -37.3 10.1 44.5 89.0 275 274 A L H <> S+ 0 0 3 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.898 109.8 53.6 -71.2 -43.0 12.7 47.3 88.4 276 275 A Q H < S+ 0 0 89 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.864 118.9 36.3 -55.6 -36.9 10.0 49.9 87.8 277 276 A E H < S+ 0 0 105 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.891 127.9 31.0 -88.6 -40.3 8.5 48.9 91.1 278 277 A E H < S- 0 0 94 -4,-3.2 3,-0.3 -5,-0.2 -3,-0.2 0.776 99.2-135.5 -89.9 -28.7 11.5 48.2 93.3 279 278 A G >< - 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0 0 12 -46,-1.9 2,-0.3 -47,-0.1 -413,-0.2 -0.330 46.9-127.6 -54.6 135.5 -17.0 49.0 82.0 623 309 B K B -o 209 0E 118 -415,-2.9 -413,-2.7 -416,-0.1 2,-0.3 -0.652 16.9-154.6 -91.2 141.9 -16.0 52.6 82.1 624 310 B T 0 0 64 -2,-0.3 -411,-0.1 -415,-0.2 -409,-0.0 -0.728 360.0 360.0-105.6 167.3 -13.2 54.1 80.1 625 311 B I 0 0 92 -413,-0.3 -409,-0.2 -2,-0.3 -408,-0.1 -0.790 360.0 360.0 -97.7 360.0 -11.2 57.3 81.1