==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-JUN-10 2XHF . COMPND 2 MOLECULE: PEROXIREDOXIN 5; . SOURCE 2 ORGANISM_SCIENTIFIC: ALVINELLA POMPEJANA; . AUTHOR A.SMEETS,J.P.DECLERCQ . 310 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 24 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 4 0 6 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 . 6 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 35 A G 0 0 71 0, 0.0 107,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 132.7 22.5 43.0 33.9 2 36 A S - 0 0 92 105,-0.2 3,-0.1 1,-0.2 0, 0.0 -0.265 360.0 -65.6 -72.4 161.4 23.4 39.7 35.6 3 37 A P - 0 0 117 0, 0.0 -1,-0.2 0, 0.0 106,-0.1 -0.252 62.0-114.6 -48.3 123.4 21.0 36.9 36.1 4 38 A I - 0 0 46 104,-0.3 2,-0.3 -3,-0.1 134,-0.1 -0.175 38.9-168.5 -59.2 155.4 18.3 38.1 38.5 5 39 A K > - 0 0 140 -3,-0.1 3,-2.3 132,-0.1 130,-0.3 -0.990 29.2 -96.3-155.3 139.5 18.3 36.4 41.9 6 40 A V T 3 S+ 0 0 91 -2,-0.3 130,-0.2 1,-0.3 3,-0.1 -0.313 111.9 30.3 -55.3 131.3 16.1 36.1 45.0 7 41 A G T 3 S+ 0 0 43 128,-2.7 -1,-0.3 1,-0.4 129,-0.1 0.140 89.6 128.6 103.8 -19.7 17.3 38.5 47.6 8 42 A D < - 0 0 55 -3,-2.3 127,-2.9 127,-0.1 2,-0.4 -0.381 62.5-121.8 -66.1 145.7 18.6 41.0 45.2 9 43 A I B -A 134 0A 100 125,-0.2 125,-0.2 -3,-0.1 3,-0.1 -0.765 36.0-113.8 -81.6 130.3 17.6 44.7 45.4 10 44 A I - 0 0 3 123,-2.9 -1,-0.1 -2,-0.4 17,-0.1 -0.306 46.6 -77.2 -63.5 152.7 16.0 45.8 42.2 11 45 A P - 0 0 29 0, 0.0 2,-1.4 0, 0.0 -1,-0.1 -0.260 40.3-133.0 -54.1 136.0 17.8 48.4 40.1 12 46 A D + 0 0 110 -3,-0.1 2,-0.3 14,-0.1 -3,-0.0 -0.680 54.8 137.3 -94.5 77.7 17.4 51.8 41.5 13 47 A V - 0 0 18 -2,-1.4 13,-2.7 11,-0.1 2,-0.2 -0.866 56.4 -96.7-126.3 160.1 16.5 53.7 38.3 14 48 A L E -B 25 0A 77 -2,-0.3 2,-0.3 11,-0.3 90,-0.2 -0.540 37.7-175.9 -73.7 135.4 14.0 56.4 37.3 15 49 A V E -B 24 0A 0 9,-2.7 9,-2.0 -2,-0.2 2,-0.3 -0.841 17.0-128.6-124.4 167.6 10.8 55.4 35.6 16 50 A Y E -BC 23 98A 19 82,-2.1 82,-3.1 -2,-0.3 2,-0.4 -0.846 16.5-170.7-118.8 150.8 8.1 57.5 34.2 17 51 A E - 0 0 12 5,-2.0 2,-2.5 2,-0.6 5,-0.2 -0.979 66.2 -23.4-145.9 129.1 4.3 57.5 34.7 18 52 A D S S+ 0 0 47 60,-0.4 64,-0.2 78,-0.4 65,-0.1 -0.317 127.9 20.9 73.1 -58.1 1.6 59.4 32.8 19 53 A V S > S- 0 0 54 -2,-2.5 3,-1.8 3,-0.2 -2,-0.6 -0.961 79.8-112.6-141.8 154.8 3.8 62.2 31.5 20 54 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.773 114.6 60.4 -62.7 -25.5 7.6 62.6 30.9 21 55 A S T 3 S+ 0 0 111 1,-0.2 2,-1.0 -5,-0.0 -3,-0.1 0.658 91.1 77.0 -74.6 -15.3 7.8 65.3 33.7 22 56 A K < + 0 0 91 -3,-1.8 -5,-2.0 -5,-0.2 2,-0.3 -0.784 63.8 143.0 -99.1 91.5 6.6 62.7 36.2 23 57 A S E +B 16 0A 49 -2,-1.0 -7,-0.2 -7,-0.2 -9,-0.1 -0.944 14.3 158.1-129.1 153.4 9.5 60.5 36.9 24 58 A F E -B 15 0A 25 -9,-2.0 -9,-2.7 -2,-0.3 2,-0.1 -0.981 48.8 -76.5-164.6 156.4 10.7 58.9 40.1 25 59 A P E > -B 14 0A 43 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.410 36.7-130.2 -62.2 138.0 12.9 56.0 41.3 26 60 A I T >> S+ 0 0 0 -13,-2.7 3,-1.8 1,-0.3 4,-0.8 0.810 104.8 75.2 -58.9 -27.2 11.1 52.7 40.9 27 61 A H H 3> S+ 0 0 22 1,-0.3 4,-1.3 -14,-0.2 -1,-0.3 0.768 82.6 68.3 -54.3 -26.2 12.1 52.1 44.5 28 62 A D H <4 S+ 0 0 70 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.820 93.7 58.0 -61.3 -30.3 9.4 54.5 45.5 29 63 A V H <4 S+ 0 0 4 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.887 120.1 23.3 -71.4 -36.8 6.8 52.0 44.3 30 64 A F H >< S+ 0 0 0 -4,-0.8 3,-1.8 -3,-0.2 102,-0.6 0.346 83.5 133.8-115.4 5.4 7.8 49.1 46.6 31 65 A R T 3< S- 0 0 128 -4,-1.3 3,-0.1 1,-0.3 102,-0.0 -0.381 86.0 -4.0 -59.9 127.6 9.6 50.9 49.5 32 66 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.643 125.0 72.8 68.0 16.1 8.4 49.5 52.8 33 67 A R S < S- 0 0 119 -3,-1.8 99,-3.2 34,-0.0 100,-0.4 -0.953 76.5-107.5-151.3 171.3 5.8 47.2 51.2 34 68 A K E +D 131 0A 61 32,-0.6 35,-0.6 -2,-0.3 2,-0.3 -0.698 46.3 141.9 -98.3 153.1 5.2 44.1 49.2 35 69 A G E -De 130 69A 0 95,-2.2 95,-3.1 -2,-0.3 2,-0.4 -0.984 43.3 -97.8-172.1-176.8 4.0 44.1 45.6 36 70 A I E -De 129 70A 0 33,-2.4 35,-2.6 -2,-0.3 2,-0.4 -0.952 22.8-171.0-120.5 134.6 4.1 42.6 42.2 37 71 A L E +De 128 71A 0 91,-2.4 91,-2.8 -2,-0.4 2,-0.3 -0.991 15.3 166.3-124.8 121.4 6.2 43.8 39.2 38 72 A F E -De 127 72A 7 33,-2.6 35,-2.5 -2,-0.4 2,-0.3 -0.958 20.3-138.7-134.4 154.2 5.6 42.3 35.8 39 73 A S E - e 0 73A 5 87,-2.1 2,-0.3 -2,-0.3 35,-0.2 -0.765 8.2-164.1-109.8 156.9 6.6 43.3 32.3 40 74 A V - 0 0 8 33,-1.9 35,-0.4 -2,-0.3 83,-0.4 -0.938 31.5-121.7-127.5 159.2 5.1 43.5 28.8 41 75 A V S S- 0 0 18 -2,-0.3 34,-0.3 1,-0.3 82,-0.3 0.859 85.2 -35.4 -66.9 -37.4 6.9 43.8 25.5 42 76 A G > - 0 0 0 3,-0.2 3,-1.8 32,-0.1 -1,-0.3 -0.881 66.0 -81.3-178.6 154.3 5.0 46.9 24.8 43 77 A A T 3 S+ 0 0 0 -2,-0.3 192,-0.1 1,-0.3 38,-0.1 -0.383 117.6 7.3 -56.2 134.4 1.8 48.9 25.0 44 78 A F T 3 S+ 0 0 44 1,-0.2 -1,-0.3 37,-0.1 194,-0.1 0.425 94.9 135.2 69.2 2.6 -0.6 47.7 22.2 45 79 A V X - 0 0 7 -3,-1.8 3,-2.7 1,-0.1 4,-0.3 -0.635 70.0 -97.8 -80.8 132.6 1.7 44.9 21.2 46 80 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 -0.253 113.0 28.2 -54.3 136.0 -0.2 41.6 20.7 47 81 A G T > S+ 0 0 21 -7,-0.0 3,-1.9 -6,-0.0 4,-0.3 0.076 88.3 105.8 99.1 -24.6 0.1 39.5 23.9 48 82 A S T < S+ 0 0 10 -3,-2.7 4,-0.3 1,-0.3 3,-0.2 0.720 84.8 43.8 -64.9 -20.0 0.5 42.5 26.2 49 83 A N T 3 S+ 0 0 70 -4,-0.3 -1,-0.3 1,-0.1 -6,-0.0 0.202 84.5 100.3-106.1 19.5 -3.1 42.0 27.4 50 84 A N S < S+ 0 0 116 -3,-1.9 4,-0.2 1,-0.2 -1,-0.1 0.833 95.7 22.0 -71.9 -31.1 -2.8 38.2 27.8 51 85 A H S >> S+ 0 0 38 -4,-0.3 4,-1.9 -3,-0.2 3,-0.6 0.658 99.8 83.5-114.7 -22.9 -2.3 38.3 31.6 52 86 A I H 3> S+ 0 0 1 -4,-0.3 4,-2.8 1,-0.2 5,-0.3 0.901 87.2 59.3 -52.2 -43.6 -3.6 41.6 32.8 53 87 A P H 3> S+ 0 0 68 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.895 107.8 45.9 -56.7 -38.3 -7.2 40.3 33.0 54 88 A E H <> S+ 0 0 78 -3,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.888 110.9 52.1 -73.0 -38.4 -6.2 37.5 35.5 55 89 A Y H < S+ 0 0 1 -4,-1.9 4,-0.3 1,-0.2 3,-0.2 0.928 111.8 47.8 -56.6 -46.3 -4.1 40.0 37.6 56 90 A L H >< S+ 0 0 46 -4,-2.8 3,-1.4 1,-0.2 4,-0.3 0.919 109.2 52.3 -63.8 -40.1 -7.2 42.2 37.8 57 91 A S H 3< S+ 0 0 88 -4,-2.1 3,-0.3 -5,-0.3 -1,-0.2 0.821 112.7 46.3 -65.8 -28.7 -9.5 39.3 38.7 58 92 A L T 3X S+ 0 0 29 -4,-1.6 4,-2.4 -3,-0.2 3,-0.4 0.305 77.9 112.5 -95.4 7.3 -7.1 38.4 41.5 59 93 A Y H <> S+ 0 0 37 -3,-1.4 4,-2.7 -4,-0.3 -1,-0.2 0.887 78.1 46.5 -50.4 -48.8 -6.7 41.9 42.9 60 94 A D H > S+ 0 0 99 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.859 111.4 53.2 -68.3 -29.5 -8.5 41.2 46.2 61 95 A K H > S+ 0 0 77 -3,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.916 111.3 45.4 -66.7 -42.7 -6.6 38.0 46.7 62 96 A F H ><>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-1.0 0.941 112.3 52.5 -62.7 -45.8 -3.3 39.8 46.2 63 97 A K H ><5S+ 0 0 94 -4,-2.7 3,-1.8 4,-0.3 5,-0.3 0.865 99.3 63.0 -60.6 -35.8 -4.5 42.5 48.5 64 98 A E H 3<5S+ 0 0 133 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.805 108.3 43.8 -56.5 -32.0 -5.4 39.9 51.3 65 99 A E T <<5S- 0 0 73 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.287 126.0 -97.7 -99.6 7.4 -1.7 39.1 51.5 66 100 A G T < 5S+ 0 0 38 -3,-1.8 -32,-0.6 -4,-0.2 3,-0.3 0.638 94.4 113.6 84.8 17.5 -0.4 42.6 51.4 67 101 A Y < + 0 0 0 -5,-2.6 -4,-0.3 1,-0.2 -31,-0.2 -0.173 23.6 124.1-112.2 42.1 0.4 42.6 47.6 68 102 A H + 0 0 78 -5,-0.3 2,-0.9 -6,-0.3 -1,-0.2 0.704 52.4 90.9 -75.1 -16.7 -2.2 45.2 46.4 69 103 A T E +e 35 0A 11 -35,-0.6 -33,-2.4 -3,-0.3 2,-0.4 -0.728 57.0 168.8 -82.6 108.2 0.7 47.2 44.8 70 104 A I E -e 36 0A 3 -2,-0.9 25,-3.0 23,-0.5 2,-0.4 -0.985 11.0-172.7-126.2 129.2 0.9 45.8 41.3 71 105 A A E -ef 37 95A 0 -35,-2.6 -33,-2.6 -2,-0.4 2,-0.5 -0.984 13.0-157.9-128.5 136.8 3.0 47.4 38.6 72 106 A C E -ef 38 96A 0 23,-2.8 25,-2.9 -2,-0.4 2,-0.4 -0.948 17.4-164.5-107.6 130.3 3.3 46.7 34.9 73 107 A I E +ef 39 97A 0 -35,-2.5 -33,-1.9 -2,-0.5 2,-0.3 -0.942 13.9 163.4-121.3 139.2 6.5 47.9 33.2 74 108 A A E - f 0 98A 0 23,-1.8 25,-2.7 -2,-0.4 2,-1.3 -0.991 46.6-107.3-147.4 155.3 7.3 48.4 29.5 75 109 A V S S+ 0 0 3 -35,-0.4 2,-0.3 -2,-0.3 25,-0.2 -0.709 79.0 107.9 -85.3 95.3 9.8 50.1 27.3 76 110 A N S S- 0 0 13 -2,-1.3 26,-0.1 -34,-0.1 -2,-0.1 -0.949 76.7 -90.8-156.9 162.0 7.5 52.9 26.0 77 111 A D > - 0 0 5 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.485 43.1-114.2 -75.3 155.6 7.0 56.6 26.5 78 112 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -60,-0.4 0.769 111.2 59.8 -71.4 -22.4 4.6 57.4 29.3 79 113 A F H > S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.957 112.4 39.8 -65.3 -47.3 1.9 59.0 27.1 80 114 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.933 116.6 50.8 -65.2 -45.7 1.5 55.7 25.2 81 115 A M H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.934 112.0 46.2 -60.9 -44.2 1.8 53.6 28.3 82 116 A A H X S+ 0 0 13 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.895 112.3 49.7 -66.6 -41.3 -0.8 55.6 30.2 83 117 A A H X S+ 0 0 20 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.927 113.4 47.5 -64.1 -44.6 -3.3 55.6 27.3 84 118 A W H >X S+ 0 0 5 -4,-2.5 4,-1.6 -5,-0.2 3,-0.8 0.934 107.5 55.5 -60.1 -46.7 -2.8 51.9 26.9 85 119 A G H 3X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.884 103.3 55.8 -55.6 -41.2 -3.3 51.2 30.7 86 120 A K H 3< S+ 0 0 135 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.833 107.5 49.9 -63.7 -29.6 -6.6 53.0 30.6 87 121 A T H << S+ 0 0 91 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.821 121.4 31.7 -77.9 -31.0 -7.8 50.6 27.9 88 122 A V H < S+ 0 0 18 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.625 131.7 30.6-100.1 -14.9 -6.8 47.4 29.7 89 123 A D >< + 0 0 6 -4,-2.4 3,-2.1 -5,-0.3 -1,-0.2 -0.577 60.9 168.9-146.2 70.2 -7.3 48.5 33.3 90 124 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.733 80.6 54.7 -63.6 -20.7 -10.1 51.1 33.6 91 125 A E T 3 S- 0 0 144 0, 0.0 -5,-0.1 0, 0.0 -2,-0.0 0.351 106.2-128.6 -93.6 4.5 -10.2 50.9 37.4 92 126 A H < + 0 0 112 -3,-2.1 -6,-0.1 -7,-0.2 -7,-0.0 0.873 56.4 148.4 51.7 47.7 -6.5 51.7 37.6 93 127 A K + 0 0 60 1,-0.1 -23,-0.5 -24,-0.0 2,-0.4 0.675 59.1 60.7 -78.3 -17.4 -5.6 48.8 39.8 94 128 A I S S- 0 0 1 -5,-0.2 2,-0.4 -9,-0.1 -23,-0.2 -0.940 82.4-128.0-120.6 129.6 -2.1 48.5 38.2 95 129 A R E - f 0 71A 79 -25,-3.0 -23,-2.8 -2,-0.4 2,-0.9 -0.647 22.9-143.0 -72.4 128.1 0.6 51.1 38.1 96 130 A M E - f 0 72A 11 -2,-0.4 2,-0.5 -25,-0.2 -78,-0.4 -0.829 19.6-169.5-102.7 101.7 1.7 51.7 34.6 97 131 A L E - f 0 73A 0 -25,-2.9 -23,-1.8 -2,-0.9 2,-0.7 -0.814 10.9-151.7-100.7 123.8 5.5 52.3 34.6 98 132 A A E -Cf 16 74A 0 -82,-3.1 -82,-2.1 -2,-0.5 2,-1.7 -0.852 6.5-165.9 -98.5 107.5 7.2 53.5 31.5 99 133 A D > + 0 0 1 -25,-2.7 3,-2.0 -2,-0.7 6,-0.1 -0.575 24.7 174.1 -83.5 68.7 10.9 52.3 31.3 100 134 A M T 3 S+ 0 0 10 -2,-1.7 -1,-0.2 1,-0.3 -23,-0.1 0.770 70.2 35.6 -62.9 -36.3 11.2 54.9 28.6 101 135 A H T 3 S- 0 0 43 -3,-0.2 -1,-0.3 -25,-0.1 -26,-0.1 0.387 108.3-117.7 -92.9 0.3 15.0 54.7 28.0 102 136 A G S <> S+ 0 0 3 -3,-2.0 4,-2.5 -26,-0.1 5,-0.2 0.622 74.3 134.4 69.9 17.5 15.1 51.0 28.6 103 137 A E H > + 0 0 91 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.899 68.9 44.8 -68.0 -41.9 17.3 51.7 31.6 104 138 A F H > S+ 0 0 0 -90,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.934 113.7 51.0 -66.6 -44.4 15.6 49.4 34.1 105 139 A T H >>S+ 0 0 1 1,-0.2 5,-2.4 2,-0.2 4,-1.1 0.913 112.5 45.6 -59.7 -44.4 15.3 46.6 31.6 106 140 A R H <5S+ 0 0 110 -4,-2.5 3,-0.3 2,-0.2 -1,-0.2 0.911 112.8 50.4 -66.1 -40.5 19.0 46.8 30.7 107 141 A A H <5S+ 0 0 47 -4,-2.3 -105,-0.2 1,-0.2 -2,-0.2 0.873 112.4 47.3 -66.4 -34.7 20.0 47.0 34.4 108 142 A L H <5S- 0 0 9 -4,-2.5 -104,-0.3 -5,-0.2 -1,-0.2 0.681 111.5-124.0 -79.1 -18.7 17.8 44.0 35.1 109 143 A G T <5S+ 0 0 38 -4,-1.1 -3,-0.2 -3,-0.3 -4,-0.1 0.751 74.6 122.5 82.4 27.0 19.3 42.1 32.1 110 144 A T < + 0 0 13 -5,-2.4 14,-3.1 -6,-0.2 -4,-0.2 0.035 29.7 147.0-114.3 24.9 16.0 41.5 30.4 111 145 A E B -H 123 0B 68 -6,-0.4 2,-0.4 12,-0.2 12,-0.2 -0.387 35.8-147.5 -61.9 138.4 16.5 43.1 27.1 112 146 A L - 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O 0 284C 20 -8,-1.2 -8,-1.5 -132,-0.1 -1,-0.4 -0.964 59.9-164.7-157.2 145.4 4.1 72.8 -0.5 293 172 B V E + O 0 283C 43 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.996 11.1 176.1-136.4 132.4 5.7 72.6 3.0 294 173 B S E - O 0 282C 18 -12,-2.5 -12,-2.3 -2,-0.4 2,-0.2 -0.982 5.1-172.9-133.6 145.0 4.3 74.2 6.2 295 174 B T E > - O 0 281C 84 -2,-0.3 3,-1.7 -14,-0.2 -14,-0.2 -0.715 44.8 -8.9-125.8 178.4 5.5 74.1 9.8 296 175 B E T 3 S+ 0 0 82 -16,-0.7 -1,-0.2 1,-0.3 -14,-0.0 -0.171 123.8 11.9 -53.8 140.5 4.0 75.4 13.1 297 176 B P T 3 S+ 0 0 104 0, 0.0 2,-1.8 0, 0.0 -1,-0.3 -0.981 118.4 68.5 -92.2 4.2 1.7 77.1 13.5 298 177 B D S < S+ 0 0 90 -3,-1.7 -2,-0.1 1,-0.2 -16,-0.1 -0.247 70.8 100.4 -83.8 51.7 0.5 76.7 9.9 299 178 B I + 0 0 9 -2,-1.8 -1,-0.2 -18,-0.1 2,-0.1 -0.028 49.1 120.9-128.8 26.7 -0.4 73.0 10.2 300 179 B T S > S- 0 0 37 -3,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.388 77.1-108.0 -81.3 167.0 -4.2 73.3 10.6 301 180 B G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.927 121.4 52.6 -58.1 -44.2 -6.7 71.7 8.3 302 181 B L H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.906 104.6 53.8 -61.7 -43.6 -7.6 75.2 7.0 303 182 B A H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 108.9 51.0 -59.6 -38.9 -3.9 76.0 6.2 304 183 B C H X S+ 0 0 8 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.951 109.3 49.3 -63.8 -45.7 -3.8 72.8 4.2 305 184 B L H X S+ 0 0 18 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.928 110.9 49.9 -58.3 -45.3 -6.9 73.7 2.2 306 185 B L H X S+ 0 0 73 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.910 109.4 51.9 -63.3 -40.0 -5.6 77.1 1.4 307 186 B S H X S+ 0 0 4 -4,-2.5 4,-0.7 -5,-0.2 3,-0.3 0.919 109.1 51.1 -60.4 -41.9 -2.3 75.6 0.2 308 187 B I H >< S+ 0 0 7 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.932 109.1 49.8 -59.8 -42.7 -4.2 73.3 -2.0 309 188 B Q H 3< S+ 0 0 96 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.741 102.8 61.1 -76.8 -16.0 -6.2 76.1 -3.5 310 189 B R H 3< 0 0 165 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.646 360.0 360.0 -78.8 -14.8 -3.0 78.1 -4.2 311 190 B Q << 0 0 94 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.693 360.0 360.0 -67.2 360.0 -1.8 75.3 -6.5