==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-SEP-02 1IZ0 . COMPND 2 MOLECULE: QUINONE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.SHIMOMURA,Y.KAKUTA,K.FUKUYAMA,RIKEN STRUCTURAL . 295 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.9 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 . 2 0.7 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 . 27 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 2 3 0 2 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 4 1 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 1 0 1 3 1 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 1 0 1 1 0 0 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 1 A X 0 0 29 0, 0.0 17,-3.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 159.5 53.4 4.0 26.1 2 2 A K E +A 17 0A 70 15,-0.2 81,-1.6 13,-0.0 2,-0.3 -0.587 360.0 158.0 -85.3 148.5 51.6 2.1 28.8 3 3 A A E -AB 16 82A 0 13,-1.9 13,-3.1 -2,-0.2 2,-0.5 -0.973 40.9-113.9-167.1 154.9 47.8 2.8 29.2 4 4 A W E -A 15 0A 25 77,-2.6 2,-0.4 -2,-0.3 11,-0.2 -0.836 34.1-171.9 -97.8 129.7 44.6 1.4 30.5 5 5 A V E -A 14 0A 14 9,-2.1 9,-1.7 -2,-0.5 2,-0.7 -0.971 18.9-150.0-126.3 139.0 42.0 0.7 27.9 6 6 A L E +AC 13 57A 0 51,-2.6 51,-1.4 -2,-0.4 7,-0.1 -0.928 16.4 177.0-106.3 109.8 38.3 -0.3 28.3 7 7 A K + 0 0 108 -2,-0.7 2,-0.4 5,-0.6 -1,-0.1 0.674 67.7 29.9 -88.0 -18.6 37.4 -2.4 25.2 8 8 A R S > S- 0 0 154 4,-0.4 3,-2.5 46,-0.0 -1,-0.2 -0.993 84.2-111.3-145.1 135.6 33.8 -3.2 26.4 9 9 A L T 3 S+ 0 0 78 -2,-0.4 37,-0.3 1,-0.3 36,-0.1 -0.383 110.7 15.3 -60.1 136.5 31.3 -1.4 28.5 10 10 A G T 3 S+ 0 0 56 35,-2.8 -1,-0.3 1,-0.3 36,-0.1 0.496 111.1 112.8 75.5 0.5 30.8 -3.3 31.7 11 11 A G S < S- 0 0 13 -3,-2.5 -1,-0.3 34,-0.4 2,-0.1 -0.294 72.5 -84.0 -95.8-175.7 34.0 -5.2 30.9 12 12 A P - 0 0 74 0, 0.0 -5,-0.6 0, 0.0 -4,-0.4 -0.397 39.6-109.6 -86.8 166.1 37.5 -5.2 32.5 13 13 A L E -A 6 0A 14 -7,-0.1 2,-0.4 -2,-0.1 -7,-0.2 -0.577 29.2-148.0 -89.3 156.8 40.4 -2.7 32.0 14 14 A E E -A 5 0A 84 -9,-1.7 -9,-2.1 -2,-0.2 2,-0.7 -0.988 11.3-135.2-134.1 130.0 43.5 -3.8 30.1 15 15 A L E +A 4 0A 82 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.704 44.7 165.9 -79.2 116.1 47.1 -2.6 30.6 16 16 A V E -A 3 0A 27 -13,-3.1 -13,-1.9 -2,-0.7 2,-0.5 -0.871 41.1-116.1-133.7 164.1 48.3 -2.1 27.0 17 17 A D E +A 2 0A 132 -2,-0.3 -15,-0.2 -15,-0.2 -2,-0.0 -0.875 39.6 177.6 -99.1 129.8 51.1 -0.5 25.0 18 18 A L - 0 0 55 -17,-3.3 2,-0.0 -2,-0.5 -2,-0.0 -0.892 34.3 -89.1-130.9 162.0 50.0 2.3 22.7 19 19 A P - 0 0 111 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.336 55.4 -91.5 -67.3 151.2 51.6 4.8 20.3 20 20 A E - 0 0 106 1,-0.1 65,-0.0 63,-0.0 2,-0.0 -0.375 49.8-102.0 -63.2 138.5 52.8 8.1 21.8 21 21 A P - 0 0 36 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.345 30.7-141.6 -63.0 142.9 50.2 10.8 21.6 22 22 A E - 0 0 89 -3,-0.1 2,-0.5 64,-0.1 64,-0.1 -0.943 13.7-132.5-110.5 119.3 50.7 13.3 18.8 23 23 A A - 0 0 48 -2,-0.6 3,-0.1 4,-0.1 6,-0.1 -0.583 18.6-148.5 -74.6 119.5 49.8 16.9 19.6 24 24 A E > - 0 0 56 -2,-0.5 3,-2.5 1,-0.2 63,-0.1 -0.239 48.3 -59.3 -75.6 173.5 47.7 18.6 17.0 25 25 A E T 3 S+ 0 0 109 1,-0.3 -1,-0.2 63,-0.0 3,-0.1 -0.346 131.4 19.4 -57.6 127.6 48.0 22.3 16.4 26 26 A G T 3 S+ 0 0 59 1,-0.3 63,-2.7 -3,-0.1 64,-0.4 0.407 107.4 103.9 92.5 -2.7 47.2 24.1 19.6 27 27 A E E < -D 88 0B 69 -3,-2.5 -1,-0.3 61,-0.3 2,-0.3 -0.774 50.8-159.1-112.8 158.1 47.8 21.0 21.8 28 28 A V E -D 87 0B 38 59,-2.6 59,-3.5 -2,-0.3 2,-0.6 -0.909 20.5-125.0-128.8 157.2 50.6 20.0 24.1 29 29 A V E -D 86 0B 45 -2,-0.3 2,-0.4 57,-0.2 57,-0.2 -0.919 27.0-163.0-105.3 115.4 51.5 16.5 25.3 30 30 A L E -D 85 0B 0 55,-2.5 55,-1.8 -2,-0.6 2,-0.7 -0.836 18.1-130.0-102.4 137.7 51.6 16.3 29.1 31 31 A R E -DE 84 66B 106 35,-2.1 35,-2.2 -2,-0.4 53,-0.2 -0.778 34.8-122.0 -84.6 119.1 53.3 13.5 30.9 32 32 A V E + E 0 65B 8 51,-1.8 33,-0.3 -2,-0.7 3,-0.1 -0.365 39.3 166.2 -67.6 134.0 50.9 12.3 33.5 33 33 A E E + 0 0 17 31,-2.9 263,-2.8 1,-0.4 2,-0.3 0.687 69.8 5.9-112.9 -38.8 51.7 12.2 37.2 34 34 A A E -FE 295 64B 0 30,-1.7 30,-1.9 261,-0.2 -1,-0.4 -0.987 55.3-156.6-148.7 155.2 48.3 11.7 38.8 35 35 A V E -FE 294 63B 0 259,-2.5 259,-3.1 -2,-0.3 2,-0.5 -0.994 12.7-146.3-136.3 126.1 44.7 11.0 37.8 36 36 A G E -FE 293 62B 0 26,-2.6 26,-0.7 -2,-0.4 25,-0.5 -0.808 17.8-144.4 -94.2 130.7 41.6 11.8 39.8 37 37 A L E -F 292 0B 3 255,-2.8 255,-0.5 -2,-0.5 2,-0.3 -0.690 13.9-166.1 -96.6 149.2 38.8 9.4 39.5 38 38 A N >> - 0 0 18 -2,-0.3 3,-1.5 1,-0.1 4,-1.2 -0.912 37.2-115.6-129.9 156.1 35.1 10.3 39.6 39 39 A F H 3> S+ 0 0 118 -2,-0.3 4,-2.2 1,-0.3 3,-0.5 0.891 118.3 66.3 -56.4 -33.6 31.8 8.4 40.0 40 40 A A H 3> S+ 0 0 14 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.835 94.9 55.3 -54.8 -36.3 31.3 9.7 36.4 41 41 A D H <> S+ 0 0 3 -3,-1.5 4,-1.1 2,-0.2 -1,-0.3 0.888 106.9 50.5 -65.7 -38.4 34.2 7.5 35.3 42 42 A H H X S+ 0 0 38 -4,-1.2 4,-0.6 -3,-0.5 3,-0.4 0.914 110.9 48.0 -65.8 -41.8 32.5 4.5 36.8 43 43 A L H >X>S+ 0 0 38 -4,-2.2 5,-3.0 1,-0.2 3,-0.6 0.834 106.6 57.4 -67.9 -32.8 29.2 5.3 35.0 44 44 A X H 3<5S+ 0 0 6 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.789 100.0 57.5 -69.1 -27.7 31.0 5.8 31.7 45 45 A R H 3<5S+ 0 0 27 -4,-1.1 -35,-2.8 -3,-0.4 -34,-0.4 0.732 111.8 43.1 -72.4 -22.7 32.4 2.3 31.8 46 46 A L H <<5S- 0 0 84 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.464 112.9-118.3 -99.7 -4.7 28.9 1.0 32.0 47 47 A G T <5S+ 0 0 44 -4,-0.5 -3,-0.2 -3,-0.3 -4,-0.1 0.787 83.0 118.9 71.1 27.1 27.5 3.4 29.4 48 48 A A < + 0 0 62 -5,-3.0 2,-0.2 -6,-0.1 -4,-0.2 0.092 44.7 100.8-111.4 21.5 25.3 4.9 32.0 49 49 A Y S S- 0 0 49 -6,-0.4 -9,-0.0 2,-0.3 -8,-0.0 -0.675 83.6-109.4-107.7 162.4 26.6 8.5 31.9 50 50 A L S S+ 0 0 122 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.903 111.2 54.6 -52.4 -45.1 25.3 11.7 30.3 51 51 A T S S- 0 0 38 2,-0.0 2,-0.7 -3,-0.0 -2,-0.3 -0.785 81.2-151.0 -91.8 133.8 28.2 11.5 27.8 52 52 A R - 0 0 72 -2,-0.4 2,-0.4 -4,-0.1 -8,-0.1 -0.867 9.8-166.6-110.9 100.8 28.4 8.2 26.0 53 53 A L - 0 0 44 -2,-0.7 4,-0.1 -9,-0.2 -4,-0.1 -0.701 18.1-132.9 -85.3 134.2 32.0 7.4 25.0 54 54 A H - 0 0 158 -2,-0.4 -46,-0.0 2,-0.1 -1,-0.0 -0.777 41.0 -85.2 -90.4 122.5 32.2 4.5 22.4 55 55 A P S S+ 0 0 46 0, 0.0 -48,-0.2 0, 0.0 2,-0.1 -0.243 98.3 63.0 -63.6 158.2 34.8 1.9 23.3 56 56 A P S S+ 0 0 96 0, 0.0 2,-0.3 0, 0.0 -49,-0.2 0.538 77.2 134.8 -82.0 152.7 37.6 1.3 23.0 57 57 A F B -C 6 0A 4 -51,-1.4 -51,-2.6 -2,-0.1 21,-0.0 -0.991 56.4-110.6-158.9 155.5 38.8 4.2 25.1 58 58 A I - 0 0 17 -2,-0.3 21,-3.3 -53,-0.2 22,-0.5 -0.797 38.2-135.9 -90.1 114.4 41.3 5.2 27.9 59 59 A P + 0 0 2 0, 0.0 22,-2.7 0, 0.0 -55,-0.2 -0.116 60.6 85.8 -62.3 169.1 39.4 6.0 31.1 60 60 A G + 0 0 0 20,-0.3 20,-2.0 19,-0.2 -23,-0.1 0.456 32.4 176.4 103.4 118.2 40.4 9.1 33.1 61 61 A X + 0 0 26 -25,-0.5 15,-3.0 1,-0.2 2,-0.7 0.541 66.7 70.5-125.1 -18.7 39.3 12.7 32.6 62 62 A E E +EG 36 75B 0 -26,-0.7 -26,-2.6 13,-0.2 2,-0.3 -0.879 68.3 174.3-109.5 101.7 40.9 14.6 35.5 63 63 A V E -EG 35 74B 0 11,-2.8 11,-3.0 -2,-0.7 2,-0.4 -0.772 23.8-169.4-115.1 153.1 44.6 14.8 34.9 64 64 A V E +EG 34 73B 0 -30,-1.9 -31,-2.9 -2,-0.3 -30,-1.7 -0.998 33.0 125.8-135.2 130.7 47.7 16.4 36.4 65 65 A G E -EG 32 72B 0 7,-2.7 7,-3.0 -2,-0.4 2,-0.4 -0.972 49.3 -76.7-168.2-175.0 51.0 16.4 34.7 66 66 A V E -EG 31 71B 21 -35,-2.2 -35,-2.1 -2,-0.3 2,-0.4 -0.812 24.0-179.9-108.9 140.2 54.1 18.2 33.3 67 67 A V E > S- G 0 70B 24 3,-2.6 3,-1.5 -2,-0.4 -37,-0.1 -0.940 80.2 -23.2-136.0 108.7 54.6 20.2 30.1 68 68 A E T 3 S- 0 0 106 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.950 128.9 -45.7 54.1 55.4 58.0 21.6 29.5 69 69 A G T 3 S+ 0 0 76 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.292 119.0 105.1 75.8 -11.4 59.0 21.5 33.2 70 70 A R E < -G 67 0B 117 -3,-1.5 -3,-2.6 24,-0.0 2,-0.4 -0.885 64.1-133.1-110.5 135.0 55.7 23.0 34.4 71 71 A R E +G 66 0B 81 -2,-0.4 24,-0.8 -5,-0.2 2,-0.3 -0.657 28.9 172.8 -87.2 134.1 52.9 21.2 36.2 72 72 A Y E -GH 65 94B 37 -7,-3.0 -7,-2.7 -2,-0.4 2,-0.3 -0.905 25.4-136.6-134.8 160.7 49.3 21.7 35.1 73 73 A A E +GH 64 93B 0 20,-2.0 20,-2.2 -2,-0.3 2,-0.3 -0.846 30.0 178.6-113.1 152.1 45.9 20.2 35.9 74 74 A A E -G 63 0B 3 -11,-3.0 -11,-2.8 -2,-0.3 2,-0.6 -0.993 31.2-135.4-158.8 150.2 43.4 19.5 33.1 75 75 A L E +G 62 0B 43 16,-0.4 -13,-0.2 -2,-0.3 -14,-0.1 -0.933 32.9 175.5-105.4 122.6 40.0 18.1 32.3 76 76 A V - 0 0 18 -15,-3.0 3,-0.1 -2,-0.6 4,-0.1 -0.826 39.1-125.3-122.4 160.9 40.1 15.8 29.2 77 77 A P S S- 0 0 94 0, 0.0 2,-0.3 0, 0.0 -17,-0.1 0.751 87.1 -29.3 -78.8 -22.1 37.3 13.7 27.7 78 78 A Q S S+ 0 0 65 -17,-0.1 -18,-0.1 -19,-0.1 -17,-0.1 -0.955 99.0 83.5-173.8 177.8 39.4 10.6 27.9 79 79 A G + 0 0 6 -21,-3.3 3,-0.2 -2,-0.3 -19,-0.2 0.518 53.8 126.5 89.3 6.3 43.0 9.4 27.9 80 80 A G + 0 0 0 -20,-2.0 2,-3.0 -22,-0.5 -20,-0.3 0.956 59.2 64.3 -61.6 -55.7 43.7 10.0 31.6 81 81 A L S S+ 0 0 0 -22,-2.7 -77,-2.6 -77,-0.1 2,-0.3 -0.317 90.4 88.9 -71.7 63.0 45.0 6.6 32.6 82 82 A A B S-B 3 0A 0 -2,-3.0 -79,-0.2 -3,-0.2 -50,-0.2 -0.947 86.7-108.4-150.5 166.3 48.1 6.7 30.4 83 83 A E S S+ 0 0 75 -81,-1.6 -51,-1.8 -2,-0.3 2,-0.3 0.817 102.4 17.6 -69.5 -32.4 51.7 7.9 30.5 84 84 A R E -D 31 0B 94 -53,-0.2 2,-0.3 -82,-0.2 -53,-0.2 -0.994 63.8-172.4-143.1 147.3 51.0 10.8 28.2 85 85 A V E -D 30 0B 11 -55,-1.8 -55,-2.5 -2,-0.3 2,-0.4 -0.999 24.9-125.8-141.3 138.8 47.9 12.7 26.9 86 86 A A E -D 29 0B 25 -2,-0.3 -57,-0.2 -57,-0.2 -64,-0.1 -0.695 35.5-177.0 -83.5 132.5 47.5 15.4 24.3 87 87 A V E -D 28 0B 0 -59,-3.5 -59,-2.6 -2,-0.4 2,-0.2 -0.994 31.5-110.7-136.8 136.9 45.7 18.5 25.7 88 88 A P E >> -D 27 0B 64 0, 0.0 3,-2.6 0, 0.0 4,-0.7 -0.454 28.3-130.0 -64.2 128.7 44.5 21.8 24.2 89 89 A K G >4 S+ 0 0 53 -63,-2.7 3,-1.3 1,-0.3 -62,-0.1 0.859 107.2 62.4 -45.7 -39.5 46.7 24.6 25.6 90 90 A G G 34 S+ 0 0 82 -64,-0.4 -1,-0.3 1,-0.3 -63,-0.1 0.685 98.3 53.8 -63.0 -21.2 43.5 26.4 26.4 91 91 A A G <4 S+ 0 0 44 -3,-2.6 -16,-0.4 2,-0.1 -1,-0.3 0.570 81.0 117.2 -90.1 -10.8 42.4 23.7 28.9 92 92 A L << - 0 0 32 -3,-1.3 -18,-0.2 -4,-0.7 -20,-0.0 -0.330 52.4-154.0 -61.5 135.3 45.6 23.8 30.9 93 93 A L E -H 73 0B 17 -20,-2.2 -20,-2.0 -2,-0.1 -1,-0.1 -0.934 11.6-135.2-117.4 110.6 45.2 24.9 34.5 94 94 A P E -H 72 0B 54 0, 0.0 -22,-0.2 0, 0.0 -24,-0.0 -0.333 21.2-149.2 -63.1 141.3 48.2 26.6 36.2 95 95 A L - 0 0 18 -24,-0.8 2,-0.1 4,-0.1 -24,-0.1 -0.812 19.0-102.8-114.8 153.7 48.9 25.3 39.7 96 96 A P > - 0 0 50 0, 0.0 3,-1.9 0, 0.0 -1,-0.0 -0.457 51.9 -90.6 -71.7 146.4 50.5 27.1 42.7 97 97 A E T 3 S+ 0 0 184 1,-0.2 3,-0.1 -2,-0.1 0, 0.0 -0.281 111.8 21.4 -56.4 137.9 54.1 26.2 43.5 98 98 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.275 80.2 141.6 88.8 -13.7 54.4 23.3 45.8 99 99 A L < - 0 0 12 -3,-1.9 -1,-0.3 1,-0.1 -4,-0.1 -0.475 54.3-122.7 -63.0 129.9 50.9 21.9 45.3 100 100 A S > - 0 0 44 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.356 14.5-118.3 -71.9 156.3 51.4 18.1 45.3 101 101 A P H > S+ 0 0 9 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.876 113.4 52.4 -62.2 -37.3 50.2 16.1 42.2 102 102 A E H > S+ 0 0 41 2,-0.2 4,-0.9 1,-0.2 192,-0.1 0.930 109.9 45.4 -66.0 -47.2 47.7 14.2 44.3 103 103 A E H >4 S+ 0 0 21 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.883 112.6 52.9 -64.7 -37.5 46.0 17.3 45.8 104 104 A A H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.881 104.5 55.7 -64.3 -37.6 46.0 18.9 42.4 105 105 A A H 3< S+ 0 0 0 -4,-1.9 4,-0.2 1,-0.3 -1,-0.2 0.720 104.3 54.5 -68.0 -20.3 44.2 15.8 40.9 106 106 A A T << S+ 0 0 2 -4,-0.9 -1,-0.3 -3,-0.6 160,-0.2 0.323 100.4 66.7 -95.5 8.0 41.4 16.2 43.5 107 107 A F S <>>S+ 0 0 1 -3,-1.5 4,-2.3 3,-0.1 5,-0.6 0.940 80.1 61.1 -95.4 -58.5 40.7 19.8 42.6 108 108 A P H >5S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.874 110.9 31.7 -37.0 -73.1 39.2 20.4 39.0 109 109 A V H >5S+ 0 0 27 -4,-0.2 4,-2.3 2,-0.2 5,-0.2 0.949 122.7 45.0 -58.5 -53.6 35.9 18.5 39.0 110 110 A S H >5S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.941 118.8 38.9 -59.0 -54.1 35.0 18.8 42.7 111 111 A F H X5S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.865 116.8 49.2 -68.9 -37.0 35.7 22.5 43.2 112 112 A L H XS+ 0 0 0 -4,-2.4 5,-2.1 2,-0.2 -2,-0.2 0.916 115.0 54.4 -68.6 -42.0 26.4 27.4 44.3 119 119 A K H ><5S+ 0 0 37 -4,-3.6 3,-1.3 1,-0.2 -1,-0.2 0.909 109.5 48.3 -59.2 -41.1 27.1 30.3 41.9 120 120 A R H 3<5S+ 0 0 93 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 107.9 52.9 -70.1 -30.9 24.1 29.2 39.8 121 121 A A T 3<5S- 0 0 2 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.288 114.3-122.1 -84.5 11.9 21.8 28.9 42.8 122 122 A Q T < 5 - 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