==== 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 1IYZ . COMPND 2 MOLECULE: QUINONE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.SHIMOMURA,Y.KAKUTA,K.FUKUYAMA,RIKEN STRUCTURAL . 299 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 12.4 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 . 26 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 21.7 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 2 1 0 2 1 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 1 0 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 M 0 0 25 0, 0.0 17,-3.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 150.3 29.8 -43.9 -131.3 2 2 A K E +A 17 0A 20 15,-0.2 81,-1.8 13,-0.0 2,-0.3 -0.621 360.0 160.2 -85.6 144.0 27.0 -43.5 -128.7 3 3 A A E -AB 16 82A 0 13,-2.6 13,-2.9 -2,-0.3 2,-0.5 -0.974 39.8-115.4-163.4 149.8 25.7 -39.9 -128.1 4 4 A W E -A 15 0A 28 77,-2.4 2,-0.4 -2,-0.3 11,-0.2 -0.772 33.9-166.2 -90.8 130.0 22.8 -38.0 -126.7 5 5 A V E -A 14 0A 11 9,-2.3 9,-2.7 -2,-0.5 2,-0.7 -0.925 18.6-149.6-121.1 144.1 20.9 -35.9 -129.3 6 6 A L E +AC 13 57A 0 51,-3.3 51,-1.6 -2,-0.4 7,-0.1 -0.938 18.9 175.9-108.6 105.2 18.3 -33.1 -128.8 7 7 A K + 0 0 94 -2,-0.7 2,-0.3 5,-0.6 -1,-0.1 0.725 66.6 25.1 -85.3 -22.4 16.1 -33.3 -131.9 8 8 A R S > S- 0 0 154 4,-0.3 3,-2.8 49,-0.1 -1,-0.2 -0.987 85.3-108.5-145.1 132.5 13.6 -30.6 -130.8 9 9 A L T 3 S+ 0 0 78 -2,-0.3 37,-0.2 1,-0.3 36,-0.1 -0.316 110.9 18.1 -55.1 137.2 13.9 -27.6 -128.6 10 10 A G T 3 S+ 0 0 59 35,-2.0 -1,-0.3 1,-0.3 36,-0.1 0.312 108.8 110.9 81.9 -10.8 11.9 -28.3 -125.4 11 11 A G S < S- 0 0 13 -3,-2.8 -1,-0.3 34,-0.3 2,-0.2 -0.090 73.4 -85.6 -86.2-172.0 11.9 -32.0 -126.2 12 12 A P - 0 0 80 0, 0.0 -5,-0.6 0, 0.0 -4,-0.3 -0.532 40.4-106.5 -93.1 163.0 13.7 -35.0 -124.5 13 13 A L E -A 6 0A 14 -2,-0.2 2,-0.5 -7,-0.1 -7,-0.2 -0.661 29.7-150.5 -86.5 145.2 17.3 -36.2 -125.2 14 14 A E E -A 5 0A 86 -9,-2.7 -9,-2.3 -2,-0.3 2,-0.9 -0.967 9.1-138.2-122.5 119.6 17.6 -39.4 -127.2 15 15 A L E +A 4 0A 79 -2,-0.5 -11,-0.2 -11,-0.2 2,-0.2 -0.650 42.7 164.6 -77.9 105.8 20.6 -41.7 -126.6 16 16 A V E -A 3 0A 22 -13,-2.9 -13,-2.6 -2,-0.9 2,-0.5 -0.681 41.5-108.7-122.3 173.3 21.6 -42.7 -130.2 17 17 A D E +A 2 0A 141 -15,-0.2 -15,-0.2 -2,-0.2 -13,-0.0 -0.885 40.8 176.3-102.9 127.8 24.3 -44.3 -132.3 18 18 A L - 0 0 63 -17,-3.5 2,-0.0 -2,-0.5 0, 0.0 -0.875 35.4 -88.1-129.9 162.3 26.2 -42.0 -134.6 19 19 A P - 0 0 106 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.327 56.4 -92.4 -65.3 149.2 29.1 -42.1 -137.1 20 20 A E - 0 0 106 1,-0.1 65,-0.0 63,-0.0 0, 0.0 -0.348 52.5 -97.8 -62.4 142.3 32.6 -41.5 -135.6 21 21 A P - 0 0 36 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.252 33.7-130.3 -62.2 152.1 33.6 -37.8 -135.8 22 22 A E - 0 0 87 -3,-0.1 2,-0.6 64,-0.1 64,-0.1 -0.901 13.4-140.1-106.9 130.4 35.8 -36.8 -138.8 23 23 A A - 0 0 56 -2,-0.5 2,-0.1 4,-0.1 3,-0.1 -0.811 15.1-159.0 -95.6 120.3 38.9 -34.7 -138.0 24 24 A E > - 0 0 59 -2,-0.6 3,-2.3 1,-0.2 0, 0.0 -0.354 46.9 -60.4 -85.0 171.2 39.6 -31.9 -140.6 25 25 A E T 3 S+ 0 0 107 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.254 128.9 21.6 -54.0 138.5 43.1 -30.4 -140.9 26 26 A G T 3 S+ 0 0 60 1,-0.3 63,-2.7 -3,-0.1 64,-0.4 0.390 107.8 103.2 83.6 -3.6 44.2 -28.8 -137.7 27 27 A E E < -D 88 0B 63 -3,-2.3 2,-0.3 61,-0.3 -1,-0.3 -0.707 50.3-160.9-112.3 164.4 41.7 -30.9 -135.6 28 28 A V E -D 87 0B 38 59,-1.9 59,-3.0 -2,-0.2 2,-0.6 -0.944 19.5-129.2-136.6 153.9 42.0 -33.9 -133.4 29 29 A V E -D 86 0B 51 -2,-0.3 2,-0.3 57,-0.2 57,-0.3 -0.938 28.4-160.0-106.2 118.7 39.3 -36.3 -132.2 30 30 A L E -D 85 0B 1 55,-2.9 55,-1.8 -2,-0.6 2,-0.9 -0.782 20.0-122.8-105.2 148.8 39.4 -36.7 -128.4 31 31 A R E -DE 84 66B 125 35,-2.2 35,-2.2 -2,-0.3 53,-0.2 -0.792 37.2-128.3 -86.9 107.4 37.9 -39.6 -126.4 32 32 A V E + E 0 65B 7 51,-1.6 33,-0.3 -2,-0.9 3,-0.1 -0.247 38.5 163.7 -60.8 138.0 35.5 -37.9 -124.0 33 33 A E E + 0 0 15 31,-3.4 267,-3.6 1,-0.4 2,-0.3 0.632 67.1 10.6-121.2 -39.8 35.8 -38.7 -120.3 34 34 A A E -FE 299 64B 0 30,-1.9 30,-1.7 265,-0.2 -1,-0.4 -0.998 54.2-162.7-146.8 145.9 33.8 -35.9 -118.6 35 35 A V E -FE 298 63B 0 263,-2.3 263,-2.5 -2,-0.3 2,-0.5 -0.999 15.4-144.9-129.6 128.1 31.4 -33.2 -119.7 36 36 A G E -FE 297 62B 0 26,-2.4 26,-0.6 -2,-0.4 25,-0.5 -0.806 17.9-137.3 -93.6 133.7 30.6 -30.3 -117.4 37 37 A L - 0 0 3 259,-2.1 259,-0.5 -2,-0.5 2,-0.3 -0.693 19.2-166.4 -92.7 146.0 27.0 -29.0 -117.7 38 38 A N >> - 0 0 14 -2,-0.3 4,-1.1 257,-0.1 3,-0.8 -0.848 35.7-116.1-125.8 161.8 26.2 -25.3 -117.8 39 39 A F H 3> S+ 0 0 70 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.820 116.3 65.2 -65.7 -28.1 23.0 -23.2 -117.4 40 40 A A H 3> S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.849 95.1 56.8 -61.1 -35.3 23.6 -22.2 -121.0 41 41 A D H <> S+ 0 0 5 -3,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.889 108.2 47.9 -63.6 -39.1 23.1 -25.8 -122.0 42 42 A H H X S+ 0 0 36 -4,-1.1 4,-1.2 1,-0.2 -2,-0.2 0.925 111.1 49.2 -66.9 -45.4 19.7 -25.7 -120.4 43 43 A L H X>S+ 0 0 47 -4,-2.3 5,-2.5 1,-0.2 6,-0.6 0.838 108.2 56.3 -63.9 -32.0 18.8 -22.4 -122.1 44 44 A M H ><5S+ 0 0 14 -4,-2.2 3,-0.6 3,-0.2 -1,-0.2 0.871 100.4 56.3 -67.9 -38.5 19.9 -23.8 -125.4 45 45 A R H 3<5S+ 0 0 27 -4,-1.5 -35,-2.0 1,-0.3 -34,-0.3 0.850 112.5 43.1 -61.9 -34.3 17.5 -26.8 -125.2 46 46 A L H 3<5S- 0 0 100 -4,-1.2 -1,-0.3 -37,-0.2 -2,-0.2 0.540 117.4-114.9 -87.4 -8.5 14.6 -24.3 -124.7 47 47 A G T <<5S+ 0 0 44 -3,-0.6 -3,-0.2 -4,-0.5 -2,-0.1 0.978 84.2 114.7 71.6 56.9 16.0 -22.0 -127.5 48 48 A A < + 0 0 63 -5,-2.5 -4,-0.2 -8,-0.2 -5,-0.1 0.333 37.8 113.5-137.0 0.6 16.7 -19.1 -125.1 49 49 A Y S S- 0 0 46 -6,-0.6 -9,-0.0 2,-0.2 -8,-0.0 -0.407 79.1-111.5 -78.7 156.5 20.5 -18.8 -125.2 50 50 A L S S+ 0 0 119 1,-0.1 2,-0.6 -2,-0.1 -1,-0.1 0.836 113.6 52.1 -52.2 -35.9 22.3 -15.8 -126.7 51 51 A T S S- 0 0 38 2,-0.0 2,-1.0 0, 0.0 -2,-0.2 -0.925 86.6-144.6-104.9 121.7 23.4 -18.2 -129.5 52 52 A R - 0 0 77 -2,-0.6 2,-0.2 -4,-0.1 -2,-0.1 -0.728 13.2-158.8 -93.8 96.7 20.5 -20.1 -131.1 53 53 A L - 0 0 44 -2,-1.0 4,-0.1 1,-0.1 -4,-0.1 -0.492 15.2-129.8 -72.7 138.0 21.7 -23.6 -132.0 54 54 A H - 0 0 157 -2,-0.2 -1,-0.1 2,-0.1 -46,-0.0 -0.798 39.4 -90.9 -95.4 115.6 19.6 -25.4 -134.6 55 55 A P S S+ 0 0 44 0, 0.0 -48,-0.2 0, 0.0 2,-0.1 -0.182 95.5 61.2 -62.5 158.1 18.4 -28.9 -133.8 56 56 A P S S+ 0 0 90 0, 0.0 2,-0.3 0, 0.0 -49,-0.2 0.561 79.5 134.0 -80.5 153.5 19.2 -31.6 -134.1 57 57 A F B -C 6 0A 9 -51,-1.6 -51,-3.3 -2,-0.1 -49,-0.1 -0.979 56.7-105.8-156.2 166.8 22.3 -31.4 -132.1 58 58 A I - 0 0 17 -2,-0.3 21,-2.5 -53,-0.2 22,-0.5 -0.889 37.4-136.2-100.1 117.4 24.5 -32.9 -129.3 59 59 A P + 0 0 5 0, 0.0 22,-2.6 0, 0.0 -55,-0.2 -0.177 61.4 84.0 -64.8 165.2 24.3 -31.0 -126.0 60 60 A G + 0 0 0 20,-0.3 20,-1.8 19,-0.2 3,-0.1 0.470 33.6 178.1 103.5 115.6 27.5 -30.4 -124.1 61 61 A M + 0 0 27 -25,-0.5 15,-2.3 1,-0.2 2,-0.6 0.500 69.2 68.8-122.0 -13.3 30.1 -27.6 -124.7 62 62 A E E +EG 36 75B 0 -26,-0.6 -26,-2.4 13,-0.2 2,-0.3 -0.871 67.0 171.6-115.4 97.0 32.6 -28.3 -121.9 63 63 A V E -EG 35 74B 0 11,-2.3 11,-2.6 -2,-0.6 2,-0.4 -0.721 23.0-168.3-110.2 159.6 34.5 -31.5 -122.6 64 64 A V E +EG 34 73B 0 -30,-1.7 -31,-3.4 -2,-0.3 -30,-1.9 -0.982 32.4 131.5-141.8 122.8 37.5 -33.3 -121.1 65 65 A G E -EG 32 72B 0 7,-1.6 7,-2.9 -2,-0.4 2,-0.4 -0.924 47.7 -80.5-159.1-174.7 39.1 -36.2 -122.9 66 66 A V E -EG 31 71B 22 -35,-2.2 -35,-2.2 -2,-0.3 2,-0.4 -0.817 23.1-174.4-109.9 140.7 42.2 -38.0 -124.2 67 67 A V E > S- G 0 70B 26 3,-3.1 3,-2.3 -2,-0.4 -37,-0.1 -0.981 77.9 -33.0-130.2 116.2 44.3 -37.4 -127.3 68 68 A E T 3 S- 0 0 112 -2,-0.4 2,-0.1 1,-0.3 -1,-0.1 0.865 127.9 -41.7 37.9 53.0 47.1 -39.8 -128.0 69 69 A G T 3 S+ 0 0 70 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 -0.087 118.2 102.4 93.3 -37.6 47.7 -40.3 -124.3 70 70 A R E < -G 67 0B 40 -3,-2.3 -3,-3.1 -2,-0.1 2,-0.4 -0.652 63.1-136.4 -88.7 140.3 47.4 -36.7 -123.1 71 71 A R E +G 66 0B 82 -2,-0.3 24,-0.6 -5,-0.2 2,-0.3 -0.742 27.7 177.7 -93.7 138.5 44.2 -35.4 -121.3 72 72 A Y E -GH 65 94B 63 -7,-2.9 -7,-1.6 -2,-0.4 2,-0.4 -0.858 26.5-138.6-135.7 169.9 42.7 -32.0 -122.2 73 73 A A E +GH 64 93B 0 20,-1.5 20,-3.5 -2,-0.3 2,-0.3 -0.974 31.8 171.1-126.2 138.8 39.9 -29.7 -121.5 74 74 A A E -G 63 0B 0 -11,-2.6 -11,-2.3 -2,-0.4 2,-0.6 -0.998 33.0-130.6-154.0 149.8 38.2 -27.9 -124.3 75 75 A L E +G 62 0B 39 16,-0.5 -13,-0.2 -2,-0.3 -14,-0.1 -0.906 31.5 175.5-102.6 118.7 35.2 -25.7 -125.2 76 76 A V - 0 0 12 -15,-2.3 3,-0.1 -2,-0.6 4,-0.1 -0.829 38.9-124.5-117.5 156.8 33.3 -26.9 -128.2 77 77 A P S S- 0 0 103 0, 0.0 2,-0.3 0, 0.0 -17,-0.1 0.858 87.3 -27.3 -68.7 -34.6 30.0 -25.4 -129.6 78 78 A Q S S+ 0 0 75 -17,-0.1 -18,-0.1 -19,-0.1 -17,-0.1 -0.934 97.6 84.0-163.3-179.2 28.4 -28.8 -129.4 79 79 A G + 0 0 7 -21,-2.5 3,-0.4 -2,-0.3 -19,-0.2 0.572 54.2 129.6 87.8 12.4 29.0 -32.5 -129.4 80 80 A G + 0 0 0 -20,-1.8 2,-2.1 -22,-0.5 -20,-0.3 0.927 59.4 60.9 -65.3 -50.1 30.0 -32.8 -125.8 81 81 A L S S+ 0 0 0 -22,-2.6 -77,-2.4 -77,-0.2 2,-0.3 -0.310 89.7 94.5 -80.0 57.9 27.7 -35.7 -124.7 82 82 A A B S-B 3 0A 0 -2,-2.1 -79,-0.2 -3,-0.4 -50,-0.2 -0.912 86.0-111.5-139.7 163.8 29.2 -38.2 -127.1 83 83 A E S S+ 0 0 77 -81,-1.8 -51,-1.6 -2,-0.3 2,-0.3 0.821 101.7 20.4 -67.7 -30.1 32.0 -40.8 -126.9 84 84 A R E -D 31 0B 83 -53,-0.2 2,-0.3 -82,-0.2 -53,-0.2 -0.985 63.6-172.5-142.1 151.3 34.2 -38.7 -129.2 85 85 A V E -D 30 0B 11 -55,-1.8 -55,-2.9 -2,-0.3 2,-0.3 -0.999 23.2-127.6-145.9 141.6 34.5 -35.1 -130.5 86 86 A A E -D 29 0B 25 -2,-0.3 -57,-0.2 -57,-0.3 -64,-0.1 -0.686 33.1-178.7 -85.3 136.6 36.6 -33.3 -133.1 87 87 A V E -D 28 0B 0 -59,-3.0 -59,-1.9 -2,-0.3 2,-0.2 -0.986 34.7-112.3-143.4 130.4 38.4 -30.3 -131.7 88 88 A P E > -D 27 0B 66 0, 0.0 3,-2.8 0, 0.0 4,-0.5 -0.427 32.5-130.0 -58.9 121.5 40.6 -27.6 -133.3 89 89 A K G > S+ 0 0 49 -63,-2.7 3,-1.5 1,-0.3 -62,-0.1 0.826 105.1 64.6 -43.9 -36.7 44.0 -28.4 -131.8 90 90 A G G 3 S+ 0 0 89 -64,-0.4 -1,-0.3 1,-0.2 -63,-0.1 0.378 95.2 57.7 -73.0 7.2 44.3 -24.7 -130.9 91 91 A A G < S+ 0 0 36 -3,-2.8 -16,-0.5 2,-0.1 2,-0.3 0.467 78.8 118.4-110.4 -7.7 41.4 -24.8 -128.5 92 92 A L < - 0 0 31 -3,-1.5 -18,-0.2 -4,-0.5 -3,-0.0 -0.428 54.8-146.7 -68.1 124.9 42.9 -27.5 -126.3 93 93 A L E -H 73 0B 16 -20,-3.5 -20,-1.5 -2,-0.3 2,-0.2 -0.792 14.8-134.6 -92.4 126.1 43.5 -26.6 -122.6 94 94 A P E -H 72 0B 76 0, 0.0 -22,-0.1 0, 0.0 -24,-0.0 -0.521 22.6-148.4 -76.9 149.5 46.6 -28.3 -121.1 95 95 A L - 0 0 34 -24,-0.6 -24,-0.1 -2,-0.2 3,-0.1 -0.892 18.0-104.3-122.6 150.3 46.0 -29.7 -117.6 96 96 A P > - 0 0 51 0, 0.0 3,-1.8 0, 0.0 168,-0.0 -0.451 55.9 -88.1 -67.9 144.7 48.2 -30.2 -114.6 97 97 A E T 3 S+ 0 0 198 1,-0.2 3,-0.1 -2,-0.1 0, 0.0 -0.248 112.6 15.1 -53.7 132.1 49.3 -33.8 -114.2 98 98 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.2 -3,-0.1 0, 0.0 0.071 81.1 147.2 92.4 -26.7 46.8 -35.8 -112.1 99 99 A L < - 0 0 15 -3,-1.8 -1,-0.3 1,-0.1 -4,-0.0 -0.210 52.2-118.2 -46.0 123.2 44.0 -33.3 -112.4 100 100 A S > - 0 0 40 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.325 9.5-119.7 -70.8 151.2 40.8 -35.5 -112.4 101 101 A P H > S+ 0 0 7 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.910 115.8 50.5 -54.2 -45.2 38.4 -35.6 -115.3 102 102 A E H 4 S+ 0 0 43 1,-0.2 4,-0.5 2,-0.2 193,-0.1 0.888 112.6 45.7 -63.2 -39.6 35.6 -34.4 -113.0 103 103 A E H 4 S+ 0 0 27 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.817 111.6 51.8 -75.6 -27.5 37.7 -31.5 -111.7 104 104 A A H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.867 103.5 58.5 -74.2 -35.1 38.9 -30.5 -115.2 105 105 A A T 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 4,-0.2 0.653 102.5 55.0 -68.7 -15.1 35.3 -30.4 -116.5 106 106 A A T 3 S+ 0 0 3 -4,-0.5 -1,-0.3 -3,-0.4 164,-0.2 0.361 100.0 65.8 -99.8 7.1 34.4 -27.8 -113.9 107 107 A F S <>>S+ 0 0 0 -3,-1.5 4,-2.8 3,-0.1 5,-0.6 0.955 81.8 58.7 -93.9 -62.3 37.1 -25.4 -114.9 108 108 A P H >5S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.4 0.872 112.6 31.2 -35.7 -78.0 36.8 -23.8 -118.4 109 109 A V H >5S+ 0 0 28 -4,-0.2 4,-2.3 1,-0.2 5,-0.2 0.932 123.9 44.8 -55.1 -53.5 33.5 -22.0 -118.4 110 110 A S H >5S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 119.3 38.7 -60.7 -49.4 33.4 -21.1 -114.7 111 111 A F H X5S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.870 117.0 48.6 -72.8 -36.8 36.9 -19.8 -114.3 112 112 A L H XS+ 0 0 0 -4,-1.7 5,-2.3 -5,-0.2 -2,-0.2 0.899 114.8 50.2 -72.8 -39.5 36.4 -9.3 -113.1 119 119 A K H ><5S+ 0 0 42 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.922 109.7 50.0 -64.4 -44.2 39.0 -8.1 -115.6 120 120 A R H 3<5S+ 0 0 59 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.841 110.4 50.6 -63.7 -31.6 36.5 -6.3 -117.7 121 121 A A T 3<5S- 0 0 3 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.241 113.2-125.1 -89.5 13.6 35.2 -4.6 -114.6 122 122 A Q T < 5 - 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