==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-JAN-07 2OLN . COMPND 2 MOLECULE: NIKD PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES TENDAE; . AUTHOR C.J.CARRELL,R.C.BRUCKNER,D.VENCI,G.ZHAO,M.S.JORNS, . 385 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 1.0 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 . 33 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 0 0 1 0 1 0 1 0 3 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 2 1 2 5 1 1 0 0 0 1 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 1 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 3 A E 0 0 116 0, 0.0 193,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 163.3 -28.3 13.6 -24.9 2 4 A S E +a 194 0A 72 191,-0.2 2,-0.3 193,-0.0 193,-0.2 -0.973 360.0 174.7-138.9 145.4 -30.5 11.7 -22.4 3 5 A Y E -a 195 0A 17 191,-2.0 193,-1.7 -2,-0.4 194,-0.2 -0.958 39.5-123.7-139.8 158.0 -31.3 8.1 -21.9 4 6 A D E S+ 0 0 73 23,-1.2 193,-1.7 -2,-0.3 2,-0.4 0.922 103.1 14.6 -67.3 -42.8 -33.3 6.0 -19.4 5 7 A V E -ab 197 28A 1 22,-2.0 24,-1.9 191,-0.2 2,-0.5 -1.000 63.7-163.0-134.5 131.8 -30.2 3.8 -18.8 6 8 A V E -ab 198 29A 0 191,-1.8 193,-2.4 -2,-0.4 2,-0.5 -0.983 13.6-155.4-109.2 126.6 -26.5 4.4 -19.7 7 9 A V E -ab 199 30A 0 22,-3.1 24,-2.7 -2,-0.5 2,-0.8 -0.910 4.4-150.1-101.9 123.6 -24.4 1.3 -19.6 8 10 A V E S+ab 200 31A 9 191,-3.1 193,-2.7 -2,-0.5 24,-0.2 -0.866 70.4 29.8 -96.7 107.4 -20.7 1.9 -19.0 9 11 A G - 0 0 8 22,-2.9 23,-0.2 -2,-0.8 193,-0.1 0.215 61.7-141.8 113.3 132.5 -18.8 -0.9 -20.7 10 12 A G + 0 0 2 4,-0.1 27,-0.5 20,-0.1 22,-0.1 -0.083 59.9 117.7-117.1 33.2 -19.6 -3.0 -23.8 11 13 A G S > S- 0 0 25 190,-0.6 4,-2.7 25,-0.1 5,-0.2 -0.060 89.4 -73.2 -75.4-170.2 -18.4 -6.3 -22.7 12 14 A P H > S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.872 133.8 48.4 -61.0 -39.4 -20.8 -9.3 -22.4 13 15 A V H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.945 113.4 46.8 -68.5 -42.9 -22.4 -8.0 -19.2 14 16 A G H > S+ 0 0 0 187,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.925 115.1 47.0 -61.3 -43.5 -22.9 -4.5 -20.6 15 17 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.911 112.0 49.2 -66.5 -43.4 -24.3 -5.9 -23.9 16 18 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.896 111.7 50.2 -62.1 -41.8 -26.7 -8.3 -22.1 17 19 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.932 110.8 48.9 -60.8 -48.8 -27.9 -5.5 -19.9 18 20 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.900 109.5 52.0 -61.1 -42.3 -28.6 -3.3 -22.9 19 21 A W H X S+ 0 0 14 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.950 112.7 45.5 -53.2 -53.3 -30.4 -6.0 -24.7 20 22 A Q H X S+ 0 0 9 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.900 115.0 46.5 -63.7 -43.1 -32.7 -6.6 -21.7 21 23 A V H <>S+ 0 0 0 -4,-2.8 5,-1.6 1,-0.2 3,-0.4 0.932 115.4 46.0 -63.8 -46.9 -33.3 -2.9 -21.1 22 24 A A H ><5S+ 0 0 5 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.886 106.9 56.0 -66.3 -39.6 -34.0 -2.1 -24.7 23 25 A E H 3<5S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.770 101.5 59.8 -67.7 -21.7 -36.3 -5.1 -25.3 24 26 A R T 3<5S- 0 0 64 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.439 126.1-102.7 -82.3 -0.1 -38.4 -3.8 -22.4 25 27 A G T < 5S+ 0 0 65 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.497 77.0 132.4 100.3 4.1 -38.9 -0.6 -24.4 26 28 A H < - 0 0 61 -5,-1.6 2,-0.6 1,-0.1 -1,-0.3 -0.506 61.7-108.3 -90.1 159.7 -36.5 1.7 -22.6 27 29 A R + 0 0 134 -2,-0.2 -22,-2.0 139,-0.1 -23,-1.2 -0.754 45.4 177.6 -88.6 117.3 -33.9 4.1 -24.1 28 30 A V E -b 5 0A 2 -2,-0.6 139,-2.6 137,-0.2 2,-0.4 -0.971 18.7-166.4-129.8 141.3 -30.4 2.7 -23.5 29 31 A L E -bc 6 167A 0 -24,-1.9 -22,-3.1 -2,-0.4 2,-0.5 -0.981 7.2-158.0-118.2 132.9 -26.9 3.9 -24.5 30 32 A V E -bc 7 168A 0 137,-2.8 139,-3.0 -2,-0.4 2,-0.5 -0.975 6.5-162.7-108.5 125.4 -23.8 1.7 -24.2 31 33 A L E -bc 8 169A 2 -24,-2.7 -22,-2.9 -2,-0.5 2,-0.4 -0.951 8.8-177.8-108.0 122.3 -20.5 3.5 -24.0 32 34 A E E - c 0 170A 15 137,-2.5 140,-2.2 -2,-0.5 139,-0.6 -0.982 20.4-152.2-124.6 126.1 -17.4 1.3 -24.7 33 35 A R S S+ 0 0 88 -2,-0.4 140,-0.2 138,-0.2 -1,-0.1 0.801 86.0 16.7 -70.1 -30.2 -13.9 2.9 -24.5 34 36 A H S S- 0 0 84 1,-0.2 137,-2.0 138,-0.1 2,-0.3 0.425 113.4 -52.6-108.1-121.9 -12.3 0.5 -27.0 35 37 A T > - 0 0 85 135,-0.2 3,-1.4 136,-0.1 -1,-0.2 -0.915 52.3 -99.7-118.5 153.9 -14.3 -1.6 -29.5 36 38 A F T 3 S+ 0 0 25 -2,-0.3 -25,-0.1 1,-0.2 134,-0.0 -0.458 112.5 26.3 -62.2 145.3 -17.1 -4.1 -29.1 37 39 A F T 3 S+ 0 0 97 -27,-0.5 -1,-0.2 1,-0.2 -26,-0.1 0.566 88.9 158.1 74.4 15.7 -15.6 -7.6 -29.1 38 40 A N < - 0 0 28 -3,-1.4 3,-0.3 1,-0.1 -1,-0.2 -0.236 39.4-148.1 -72.2 157.2 -12.2 -6.4 -27.9 39 41 A E S S+ 0 0 67 1,-0.2 279,-0.2 5,-0.1 5,-0.1 -0.046 76.3 90.0-113.9 31.7 -9.8 -8.8 -26.2 40 42 A N S S+ 0 0 113 3,-0.1 -1,-0.2 279,-0.1 279,-0.1 0.436 83.7 47.7-109.6 2.5 -8.2 -6.4 -23.8 41 43 A G S S- 0 0 19 -3,-0.3 279,-2.1 278,-0.0 3,-0.3 0.117 116.0 -54.4-110.4-135.4 -10.5 -6.7 -20.9 42 44 A G S S+ 0 0 32 277,-0.2 2,-0.1 1,-0.2 280,-0.1 0.398 119.3 69.2 -93.7 -0.3 -12.0 -9.7 -19.0 43 45 A T + 0 0 27 -5,-0.2 2,-0.3 312,-0.0 -1,-0.2 -0.357 63.1 137.0-124.5 64.1 -13.5 -11.4 -22.1 44 46 A S + 0 0 2 -3,-0.3 3,-0.2 -5,-0.1 -5,-0.1 -0.692 44.8 31.8-104.4 149.9 -10.6 -12.6 -24.2 45 47 A G S S- 0 0 7 -2,-0.3 106,-0.1 1,-0.1 3,-0.0 -0.206 83.8 -87.3 94.0 172.6 -10.4 -15.9 -25.9 46 48 A A S S+ 0 0 9 104,-0.1 104,-2.0 1,-0.1 105,-0.4 0.667 94.7 52.5 -94.8 -22.7 -12.9 -18.2 -27.4 47 49 A E E +H 149 0B 2 102,-0.2 2,-0.3 -3,-0.2 102,-0.2 -0.929 45.1 172.4-128.8 145.5 -14.0 -20.4 -24.5 48 50 A R E -H 148 0B 32 100,-1.1 100,-2.9 -2,-0.3 2,-0.5 -0.945 37.7-101.6-139.5 161.4 -15.4 -20.1 -21.0 49 51 A H E -H 147 0B 16 -2,-0.3 2,-0.5 98,-0.2 307,-0.3 -0.757 22.3-161.1 -91.2 129.3 -16.7 -22.8 -18.6 50 52 A W E +H 146 0B 2 96,-2.3 96,-2.8 -2,-0.5 2,-0.3 -0.904 24.3 164.5 -93.9 127.6 -20.4 -23.5 -18.0 51 53 A R - 0 0 2 -2,-0.5 94,-0.1 94,-0.2 -2,-0.0 -0.997 36.1-158.5-143.2 146.9 -21.0 -25.4 -14.8 52 54 A L S S+ 0 0 11 -2,-0.3 11,-0.3 90,-0.1 12,-0.2 0.855 70.9 87.6 -77.9 -44.7 -24.0 -26.1 -12.7 53 55 A Q + 0 0 0 10,-0.1 2,-0.3 11,-0.0 52,-0.1 -0.305 46.5 164.1 -78.5 139.8 -22.1 -26.9 -9.5 54 56 A Y - 0 0 7 51,-0.2 46,-0.1 50,-0.1 6,-0.1 -0.985 42.0-130.2-144.8 149.0 -21.0 -24.3 -6.9 55 57 A T S S+ 0 0 27 -2,-0.3 2,-0.4 44,-0.2 -1,-0.1 0.875 95.7 69.8 -69.8 -35.5 -19.8 -24.6 -3.4 56 58 A Q S > S- 0 0 51 1,-0.1 4,-2.1 -3,-0.1 3,-0.2 -0.707 77.4-144.3 -88.1 130.1 -22.3 -21.9 -2.3 57 59 A E H > S+ 0 0 53 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.873 98.1 55.7 -62.3 -41.3 -26.0 -22.9 -2.4 58 60 A D H > S+ 0 0 35 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.893 111.0 44.1 -63.5 -39.2 -27.2 -19.5 -3.5 59 61 A L H > S+ 0 0 0 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.863 110.9 54.3 -73.3 -35.2 -24.9 -19.5 -6.6 60 62 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.929 107.7 50.6 -62.0 -42.7 -25.8 -23.1 -7.4 61 63 A R H X S+ 0 0 117 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.921 108.7 53.8 -61.7 -36.4 -29.5 -22.1 -7.4 62 64 A L H X S+ 0 0 2 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.888 105.4 50.9 -68.1 -39.6 -28.5 -19.2 -9.7 63 65 A T H X S+ 0 0 0 -4,-2.1 4,-1.9 -11,-0.3 3,-0.4 0.943 109.6 51.6 -64.5 -38.6 -26.8 -21.5 -12.3 64 66 A L H < S+ 0 0 67 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.872 112.4 46.4 -62.9 -34.1 -29.9 -23.7 -12.3 65 67 A E H < S+ 0 0 76 -4,-1.8 4,-0.4 -5,-0.2 -1,-0.2 0.718 110.2 54.8 -78.1 -19.0 -32.0 -20.5 -12.9 66 68 A T H >X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.4 3,-0.6 0.792 88.7 75.3 -86.1 -29.2 -29.5 -19.4 -15.7 67 69 A L H 3X S+ 0 0 48 -4,-1.9 4,-2.4 1,-0.3 5,-0.2 0.922 96.4 48.0 -51.9 -48.3 -29.7 -22.6 -17.8 68 70 A P H 3> S+ 0 0 76 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.819 109.0 55.5 -63.2 -28.0 -33.2 -21.7 -19.2 69 71 A L H <> S+ 0 0 25 -3,-0.6 4,-2.3 -4,-0.4 -2,-0.2 0.891 107.4 48.6 -71.0 -37.7 -31.9 -18.2 -19.9 70 72 A W H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.935 111.1 50.6 -60.5 -46.0 -29.1 -19.7 -22.0 71 73 A R H X S+ 0 0 89 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.907 110.6 49.5 -62.1 -38.1 -31.6 -21.9 -23.8 72 74 A A H X S+ 0 0 53 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.934 111.7 47.9 -65.4 -43.9 -33.7 -18.8 -24.5 73 75 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.927 110.2 52.8 -61.5 -46.5 -30.7 -16.9 -25.8 74 76 A E H X>S+ 0 0 17 -4,-3.0 5,-1.4 1,-0.2 4,-1.1 0.887 110.9 47.1 -54.5 -43.3 -29.7 -19.8 -28.0 75 77 A S H <5S+ 0 0 98 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.884 110.1 52.7 -69.7 -37.6 -33.2 -20.0 -29.5 76 78 A R H <5S+ 0 0 119 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.913 120.6 32.2 -63.8 -40.0 -33.3 -16.2 -30.1 77 79 A C H <5S- 0 0 37 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.505 102.9-128.0 -99.5 -1.9 -29.9 -16.3 -32.0 78 80 A E T <5S+ 0 0 183 -4,-1.1 2,-0.4 -5,-0.2 -3,-0.2 0.819 71.9 112.3 58.4 40.1 -30.3 -19.8 -33.5 79 81 A R < - 0 0 144 -5,-1.4 2,-0.4 -6,-0.2 -2,-0.2 -0.987 69.5-127.4-141.8 128.8 -26.9 -20.9 -32.3 80 82 A R + 0 0 172 -2,-0.4 3,-0.1 1,-0.2 -9,-0.1 -0.614 30.4 174.6 -67.4 127.0 -26.0 -23.4 -29.6 81 83 A L + 0 0 0 -2,-0.4 68,-2.5 1,-0.1 2,-0.4 0.692 60.1 60.9-109.9 -29.3 -23.7 -21.5 -27.3 82 84 A I E -I 148 0B 6 66,-0.2 2,-0.5 -12,-0.1 66,-0.2 -0.887 62.4-168.7-102.6 132.5 -23.2 -24.2 -24.5 83 85 A H E -I 147 0B 30 64,-2.6 64,-2.5 -2,-0.4 2,-2.1 -0.982 20.5-137.4-123.6 113.5 -21.6 -27.5 -25.5 84 86 A E + 0 0 90 -2,-0.5 62,-0.2 62,-0.2 61,-0.1 -0.378 48.0 144.9 -83.9 73.6 -21.8 -30.1 -22.8 85 87 A I - 0 0 42 -2,-2.1 61,-0.3 1,-0.2 -1,-0.2 0.569 65.2-101.2 -81.3 -10.2 -18.3 -31.6 -22.9 86 88 A G - 0 0 3 59,-2.6 154,-2.0 -3,-0.2 2,-0.5 -0.057 19.5-107.1 106.8 158.7 -18.4 -32.0 -19.1 87 89 A S E -Jk 142 240C 0 55,-2.2 55,-2.9 152,-0.2 2,-0.5 -0.972 32.2-171.1-123.4 109.8 -17.0 -30.4 -16.0 88 90 A L E +Jk 141 241C 0 152,-2.8 154,-1.8 -2,-0.5 2,-0.4 -0.925 5.7 178.5-107.3 121.0 -14.1 -32.3 -14.3 89 91 A W E +Jk 140 242C 0 51,-2.5 51,-2.3 -2,-0.5 2,-0.3 -0.991 16.6 149.3-118.1 127.0 -12.9 -31.1 -10.9 90 92 A F E +Jk 139 243C 0 152,-2.2 154,-2.8 -2,-0.4 2,-0.4 -0.990 18.8 66.2-153.7 161.8 -10.1 -33.0 -9.2 91 93 A G E S+Jk 138 244C 0 47,-2.2 47,-1.8 -2,-0.3 2,-0.5 -0.998 93.0 12.5 138.8-133.3 -7.2 -32.8 -6.8 92 94 A D - 0 0 43 152,-2.6 10,-0.4 -2,-0.4 3,-0.1 -0.717 65.9-155.7 -76.9 118.2 -7.1 -31.9 -3.1 93 95 A T S S+ 0 0 27 -2,-0.5 10,-2.8 1,-0.2 11,-0.4 0.575 83.7 48.0 -81.8 -8.5 -10.8 -32.2 -2.2 94 96 A D S S+ 0 0 94 8,-0.2 -1,-0.2 9,-0.1 151,-0.1 0.689 78.9 108.9-105.6 -16.1 -10.6 -29.9 0.8 95 97 A V - 0 0 15 -3,-0.1 2,-0.5 149,-0.1 7,-0.4 -0.312 63.2-135.2 -62.0 140.1 -8.7 -26.8 -0.4 96 98 A V + 0 0 106 5,-0.1 2,-0.3 6,-0.1 5,-0.2 -0.846 35.2 164.8 -99.8 125.8 -10.8 -23.7 -0.8 97 99 A T B > -Q 100 0D 21 3,-2.0 3,-1.6 -2,-0.5 147,-0.0 -0.824 55.4 -95.2-131.5 172.4 -10.1 -21.8 -4.0 98 100 A N T 3 S+ 0 0 33 1,-0.3 255,-0.2 -2,-0.3 3,-0.1 0.614 126.7 54.3 -69.2 -8.9 -11.7 -19.1 -6.1 99 101 A E T 3 S- 0 0 16 1,-0.4 2,-0.3 -45,-0.0 -1,-0.3 0.563 120.5-105.0 -87.9 -20.4 -13.3 -22.0 -8.1 100 102 A G B < -Q 97 0D 8 -3,-1.6 -3,-2.0 -46,-0.1 -1,-0.4 -0.855 36.7 -69.1 126.7-162.0 -14.8 -23.6 -5.0 101 103 A Q > - 0 0 41 -2,-0.3 4,-2.0 -5,-0.2 5,-0.2 -0.998 31.4-142.2-135.7 128.4 -14.0 -26.6 -2.8 102 104 A I H > S+ 0 0 0 -10,-0.4 4,-2.5 -7,-0.4 5,-0.2 0.935 97.5 47.7 -60.4 -50.0 -14.6 -30.1 -4.2 103 105 A S H > S+ 0 0 35 -10,-2.8 4,-2.1 1,-0.2 5,-0.2 0.938 114.5 45.4 -61.2 -48.7 -15.9 -31.7 -1.0 104 106 A G H > S+ 0 0 21 -11,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.890 112.7 52.0 -62.9 -36.4 -18.4 -29.0 -0.2 105 107 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.899 106.4 52.8 -68.8 -39.9 -19.6 -28.9 -3.8 106 108 A A H X S+ 0 0 8 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.924 109.0 50.3 -61.4 -42.6 -20.2 -32.6 -3.9 107 109 A A H X S+ 0 0 59 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.877 110.9 50.1 -61.1 -35.8 -22.3 -32.3 -0.8 108 110 A M H X S+ 0 0 28 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.894 107.9 51.6 -72.2 -36.8 -24.2 -29.5 -2.5 109 111 A M H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.5 0.912 110.4 50.2 -61.6 -42.4 -24.8 -31.6 -5.6 110 112 A D H ><5S+ 0 0 99 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.936 111.1 49.5 -57.1 -47.8 -26.1 -34.3 -3.3 111 113 A K H 3<5S+ 0 0 128 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.869 116.7 40.3 -61.6 -40.5 -28.4 -31.8 -1.6 112 114 A L T 3<5S- 0 0 31 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.339 110.2-117.4 -97.4 10.1 -29.8 -30.5 -5.0 113 115 A S T < 5 + 0 0 112 -3,-1.1 2,-0.5 -4,-0.5 -3,-0.2 0.861 57.9 156.1 59.5 39.3 -30.0 -33.8 -6.7 114 116 A V < - 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