==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JUL-97 8GEP . COMPND 2 MOLECULE: SULFITE REDUCTASE HEMOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.R.CRANE,E.D.GETZOFF . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 15.6 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 24 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 0 2 1 0 0 2 1 0 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 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 PARALLEL BRIDGES PER LADDER . 3 5 1 1 2 2 0 1 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 . 1 0 1 2 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 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 81 A L 0 0 131 0, 0.0 2,-0.3 0, 0.0 42,-0.1 0.000 360.0 360.0 360.0 129.2 25.0 40.3 19.7 2 82 A L E -A 42 0A 27 40,-0.7 40,-1.3 2,-0.0 2,-0.4 -0.985 360.0-165.7-152.5 145.8 26.3 43.1 21.9 3 83 A R E -A 41 0A 96 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.996 19.2-128.5-137.0 137.8 24.7 46.2 23.4 4 84 A C - 0 0 3 36,-0.9 2,-1.0 -2,-0.4 56,-0.3 -0.678 17.6-119.8 -94.6 144.7 26.5 49.2 24.9 5 85 A R + 0 0 34 54,-3.2 54,-0.5 -2,-0.3 34,-0.1 -0.685 44.8 162.0 -79.7 104.1 25.9 50.8 28.3 6 86 A L > - 0 0 5 -2,-1.0 3,-2.5 52,-0.1 4,-0.1 -0.619 27.9-148.8-129.1 75.1 24.9 54.4 27.2 7 87 A P G > S+ 0 0 10 0, 0.0 3,-1.1 0, 0.0 63,-0.2 -0.009 81.0 4.4 -45.6 133.5 23.1 56.1 30.1 8 88 A G G 3 S- 0 0 0 61,-2.1 62,-0.1 1,-0.3 3,-0.1 0.468 112.7 -90.2 68.9 2.2 20.6 58.7 28.9 9 89 A G G < S+ 0 0 0 -3,-2.5 272,-2.3 29,-0.3 2,-0.4 0.444 83.6 144.1 74.3 -0.7 21.1 57.8 25.2 10 90 A V E < +D 280 0B 18 -3,-1.1 2,-0.3 270,-0.2 -1,-0.2 -0.580 19.1 166.4 -78.3 121.8 23.8 60.4 25.0 11 91 A I E -D 279 0B 1 268,-2.5 268,-2.4 -2,-0.4 2,-0.1 -0.979 31.2-115.6-132.5 146.4 26.7 59.4 22.7 12 92 A T > - 0 0 51 -2,-0.3 4,-2.8 266,-0.2 266,-0.1 -0.429 17.9-122.2 -84.1 159.8 29.5 61.5 21.2 13 93 A T H > S+ 0 0 29 264,-0.4 4,-2.1 2,-0.2 5,-0.1 0.892 118.4 53.0 -60.3 -36.4 30.1 62.3 17.6 14 94 A K H > S+ 0 0 148 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.919 110.8 44.1 -66.4 -45.9 33.5 60.7 18.2 15 95 A Q H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.880 109.8 57.9 -67.9 -33.5 31.9 57.5 19.6 16 96 A W H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.918 103.9 51.8 -62.4 -42.4 29.4 57.5 16.8 17 97 A Q H X S+ 0 0 64 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.767 108.6 51.3 -64.3 -31.7 32.3 57.4 14.2 18 98 A A H X S+ 0 0 19 -4,-1.1 4,-2.2 -3,-0.3 -1,-0.2 0.932 112.3 43.2 -72.7 -47.0 33.9 54.4 15.8 19 99 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.740 109.3 58.0 -71.9 -22.9 30.7 52.3 16.0 20 100 A D H X S+ 0 0 11 -4,-1.6 4,-2.0 -5,-0.2 5,-0.2 0.893 108.0 48.1 -69.9 -41.5 29.7 53.2 12.4 21 101 A K H X S+ 0 0 116 -4,-1.1 4,-2.4 1,-0.2 5,-0.3 0.956 114.9 44.3 -64.0 -49.2 33.1 51.9 11.3 22 102 A F H X S+ 0 0 20 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.897 109.1 57.8 -64.4 -43.1 32.6 48.7 13.3 23 103 A A H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 7,-0.4 0.950 117.1 31.3 -52.0 -56.4 29.0 48.2 12.2 24 104 A G H < S+ 0 0 46 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.806 124.5 46.2 -75.1 -32.8 29.7 48.2 8.5 25 105 A E H < S+ 0 0 119 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.907 122.8 22.4 -80.0 -40.5 33.2 46.6 8.7 26 106 A N H < S+ 0 0 72 -4,-2.8 20,-1.4 -5,-0.3 2,-0.3 0.106 101.1 77.0-124.4 27.3 32.7 43.7 11.1 27 107 A T B < S-H 45 0C 12 -4,-0.6 18,-0.3 18,-0.2 17,-0.2 -0.943 70.6-126.3-130.8 158.6 29.1 42.5 11.3 28 108 A I S S+ 0 0 112 16,-2.9 16,-0.2 -2,-0.3 -1,-0.1 0.915 111.6 37.3 -68.1 -45.2 26.9 40.4 9.0 29 109 A Y S S- 0 0 100 14,-1.3 -1,-0.2 2,-0.1 15,-0.1 0.642 89.2-148.7 -81.4 -19.8 24.1 43.0 8.7 30 110 A G + 0 0 12 13,-0.4 2,-0.2 -7,-0.4 -6,-0.1 0.617 54.2 125.6 59.2 17.4 26.3 46.1 8.7 31 111 A S - 0 0 2 12,-0.2 2,-0.5 -8,-0.2 12,-0.4 -0.544 60.7-134.8-105.7 167.9 23.6 48.1 10.5 32 112 A I E -B 256 0A 0 224,-1.6 224,-3.1 -2,-0.2 2,-0.8 -0.992 22.5-157.4-118.1 118.8 23.3 50.1 13.6 33 113 A R E -BC 255 41A 4 8,-2.2 8,-1.3 -2,-0.5 2,-0.2 -0.828 2.7-153.6-105.0 102.5 20.1 49.2 15.5 34 114 A L E - C 0 40A 0 220,-2.6 6,-0.3 -2,-0.8 2,-0.2 -0.499 20.0-146.6 -69.8 131.7 18.9 51.9 17.9 35 115 A T > - 0 0 12 4,-3.8 3,-0.9 -2,-0.2 250,-0.5 -0.593 22.9-114.3 -98.1 168.1 16.9 50.3 20.7 36 116 A N T 3 S+ 0 0 23 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.299 112.2 66.2 -80.3 7.5 13.9 51.5 22.6 37 117 A R T 3 S- 0 0 21 2,-0.2 -1,-0.3 245,-0.1 -28,-0.2 -0.085 122.5 -98.0-116.2 32.4 16.1 51.6 25.8 38 118 A Q S < S+ 0 0 0 -3,-0.9 -29,-0.3 244,-0.7 243,-0.3 0.812 92.2 88.5 55.8 42.0 18.3 54.5 24.4 39 119 A T - 0 0 0 -4,-0.3 -4,-3.8 243,-0.2 2,-0.3 -0.855 68.6-106.5-147.7-177.5 21.2 52.4 23.1 40 120 A F E - C 0 34A 3 -6,-0.3 -36,-0.9 -2,-0.3 2,-0.4 -0.833 16.3-150.8-120.2 162.0 22.4 50.6 20.0 41 121 A Q E -AC 3 33A 17 -8,-1.3 -8,-2.2 -2,-0.3 2,-0.3 -0.997 5.4-150.4-135.9 135.3 22.8 47.0 18.8 42 122 A F E -A 2 0A 1 -40,-1.3 -40,-0.7 -2,-0.4 2,-0.5 -0.775 19.8-148.4 -94.2 139.1 25.2 45.4 16.3 43 123 A H + 0 0 6 -12,-0.4 -14,-1.3 -2,-0.3 -13,-0.4 -0.951 68.1 6.6-116.5 132.0 23.8 42.3 14.5 44 124 A G - 0 0 20 -2,-0.5 -16,-2.9 -17,-0.2 2,-0.5 0.967 67.4-167.2 71.8 54.9 25.9 39.4 13.4 45 125 A I B H 27 0C 51 -18,-0.3 -18,-0.2 -3,-0.2 -1,-0.2 -0.643 360.0 360.0 -73.5 122.0 29.3 40.2 14.8 46 126 A L 0 0 163 -20,-1.4 -1,-0.0 -2,-0.5 -2,-0.0 -0.556 360.0 360.0 -73.8 360.0 31.7 37.7 13.1 47 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 48 132 A P > 0 0 120 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.7 37.8 43.3 19.8 49 133 A V H > + 0 0 17 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.894 360.0 45.9 -64.6 -34.8 34.3 44.9 20.1 50 134 A H H > S+ 0 0 98 2,-0.2 4,-3.5 3,-0.2 -1,-0.2 0.827 107.5 54.1 -75.4 -38.3 35.3 45.8 23.6 51 135 A Q H > S+ 0 0 148 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.958 114.5 42.6 -62.8 -43.3 38.8 47.1 22.7 52 136 A M H X S+ 0 0 30 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.830 116.5 47.9 -69.5 -35.5 37.0 49.5 20.2 53 137 A L H ><>S+ 0 0 1 -4,-1.7 5,-2.7 -5,-0.2 3,-1.2 0.984 113.9 47.9 -65.9 -55.6 34.3 50.3 22.7 54 138 A H H ><5S+ 0 0 148 -4,-3.5 3,-1.0 1,-0.3 -2,-0.2 0.796 105.1 58.8 -50.2 -44.1 36.9 50.9 25.4 55 139 A S H 3<5S+ 0 0 86 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.794 111.9 40.3 -60.7 -32.7 39.0 53.1 23.1 56 140 A V T <<5S- 0 0 32 -3,-1.2 -1,-0.2 -4,-1.0 -2,-0.2 0.345 126.3-100.2 -97.1 4.8 36.0 55.5 22.6 57 141 A G T < 5S+ 0 0 58 -3,-1.0 2,-0.3 -4,-0.4 -3,-0.2 0.566 79.4 127.5 89.7 13.7 35.0 55.2 26.3 58 142 A L < - 0 0 15 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.3 -0.687 35.6-167.4-105.2 152.1 32.1 52.8 26.1 59 143 A D - 0 0 62 -54,-0.5 -54,-3.2 -2,-0.3 2,-0.7 -0.946 21.3-135.9-135.8 150.1 31.5 49.5 27.9 60 144 A A 0 0 23 -2,-0.3 -56,-0.2 -56,-0.3 -10,-0.0 -0.939 360.0 360.0-105.2 98.5 29.0 46.7 27.3 61 145 A L 0 0 80 -2,-0.7 3,-0.1 -58,-0.1 -58,-0.1 0.036 360.0 360.0 -30.6 360.0 27.6 46.0 30.8 62 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 63 149 A N 0 0 157 0, 0.0 2,-0.5 0, 0.0 38,-0.3 0.000 360.0 360.0 360.0 -43.3 26.2 38.3 36.0 64 150 A D - 0 0 23 1,-0.1 36,-0.1 -3,-0.1 40,-0.1 -0.733 360.0-175.1 -89.4 125.7 24.8 41.9 35.9 65 151 A M + 0 0 24 -2,-0.5 40,-2.8 38,-0.1 2,-0.5 0.157 50.5 114.6-101.3 13.1 21.1 42.1 35.8 66 152 A N B -i 105 0D 4 38,-0.2 2,-0.2 29,-0.1 40,-0.2 -0.746 50.1-162.6 -88.1 128.1 21.2 45.9 35.4 67 153 A R - 0 0 55 38,-2.0 40,-0.2 -2,-0.5 -2,-0.1 -0.518 39.9 -59.8-100.0 177.6 19.9 47.2 32.1 68 154 A N - 0 0 8 -2,-0.2 2,-0.5 1,-0.1 39,-0.4 -0.293 51.1-129.5 -61.6 130.3 20.4 50.6 30.5 69 155 A V - 0 0 0 37,-0.1 -61,-2.1 19,-0.1 -60,-0.3 -0.763 26.5-146.7 -85.2 125.6 19.1 53.6 32.6 70 156 A L E -j 108 0E 0 37,-1.6 39,-2.0 -2,-0.5 2,-0.3 -0.574 15.5-172.6 -93.1 161.4 16.9 56.0 30.5 71 157 A C E -j 109 0E 0 37,-0.2 39,-0.2 -2,-0.2 212,-0.1 -0.970 41.6 -89.9-154.4 135.8 16.4 59.7 30.7 72 158 A T - 0 0 0 37,-1.3 13,-0.1 -2,-0.3 38,-0.0 -0.167 41.2-158.1 -46.9 116.9 14.0 62.1 29.0 73 159 A S S S+ 0 0 1 1,-0.2 -1,-0.2 207,-0.0 209,-0.0 0.842 75.2 20.8 -74.1 -35.1 15.9 63.0 25.8 74 160 A N S S- 0 0 10 7,-0.0 -1,-0.2 166,-0.0 4,-0.1 -0.505 77.3-166.5-140.2 69.1 14.3 66.3 24.7 75 161 A P - 0 0 0 0, 0.0 6,-0.1 0, 0.0 3,-0.1 -0.228 28.9-128.6 -60.2 137.3 12.5 68.1 27.6 76 162 A Y S S+ 0 0 123 1,-0.3 2,-1.3 35,-0.2 3,-0.1 0.882 113.3 54.4 -52.9 -36.9 10.2 71.0 27.0 77 163 A E S > S- 0 0 72 1,-0.2 3,-1.9 34,-0.1 4,-0.4 -0.747 85.1-165.7 -97.3 78.4 12.2 72.8 29.6 78 164 A S T > S+ 0 0 17 -2,-1.3 3,-1.0 1,-0.3 4,-0.3 0.710 75.7 64.4 -36.5 -35.8 15.6 72.2 27.9 79 165 A Q T >> S+ 0 0 91 1,-0.2 3,-0.6 2,-0.1 4,-0.6 0.785 89.0 65.2 -66.3 -30.2 17.7 73.1 30.9 80 166 A L H <> S+ 0 0 7 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 0.711 85.2 78.5 -66.8 -19.0 16.5 70.3 33.2 81 167 A H H <> S+ 0 0 9 -3,-1.0 4,-3.1 -4,-0.4 -1,-0.2 0.857 87.2 51.9 -56.7 -52.7 18.1 67.7 30.9 82 168 A A H <> S+ 0 0 67 -3,-0.6 4,-2.5 -4,-0.3 -1,-0.2 0.855 115.3 42.3 -56.2 -41.5 21.7 68.1 31.9 83 169 A E H X S+ 0 0 64 -4,-0.6 4,-2.5 2,-0.2 5,-0.2 0.957 116.2 47.3 -70.3 -51.2 20.9 67.6 35.6 84 170 A A H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.899 115.6 48.8 -55.2 -39.3 18.4 64.8 34.9 85 171 A Y H X S+ 0 0 57 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.901 106.3 53.7 -69.0 -42.9 21.1 63.3 32.8 86 172 A E H X S+ 0 0 107 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.910 111.9 47.6 -58.6 -39.8 23.9 63.7 35.4 87 173 A W H X S+ 0 0 32 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.794 107.4 54.2 -73.8 -23.2 21.6 61.8 37.8 88 174 A A H X S+ 0 0 0 -4,-1.2 4,-1.9 -5,-0.2 -2,-0.2 0.914 110.1 48.6 -73.8 -40.5 20.8 59.1 35.3 89 175 A K H X S+ 0 0 78 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.792 111.3 49.9 -68.8 -28.3 24.5 58.5 34.8 90 176 A K H X S+ 0 0 57 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.856 109.4 49.2 -78.1 -39.4 25.1 58.4 38.6 91 177 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.906 111.3 52.6 -64.5 -40.2 22.4 55.9 39.3 92 178 A S H < S+ 0 0 3 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.809 114.0 41.0 -64.6 -36.0 23.9 53.8 36.5 93 179 A E H < S+ 0 0 78 -4,-1.1 3,-0.5 2,-0.2 -2,-0.2 0.827 113.2 53.1 -82.2 -31.8 27.3 53.9 38.0 94 180 A H H < S+ 0 0 72 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.919 108.7 50.7 -67.9 -41.5 26.1 53.4 41.6 95 181 A L S < S+ 0 0 25 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.576 83.2 113.7 -72.5 -15.7 24.2 50.2 40.6 96 182 A L 0 0 64 -3,-0.5 -3,-0.0 -4,-0.3 -32,-0.0 -0.389 360.0 360.0 -59.7 135.0 27.2 48.7 38.8 97 183 A P 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.403 360.0 360.0 -65.9 360.0 28.3 45.5 40.6 98 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 99 210 A T 0 0 107 0, 0.0 2,-0.5 0, 0.0 84,-0.0 0.000 360.0 360.0 360.0 131.0 24.5 41.8 44.7 100 211 A Y - 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k 0 127E 0 16,-2.4 18,-2.4 -2,-0.5 5,-0.1 -0.922 13.1-158.7-112.0 134.0 11.6 60.9 33.8 111 222 A I > - 0 0 5 -2,-0.4 3,-1.6 3,-0.3 -35,-0.2 -0.906 41.1 -98.1-112.6 103.9 11.0 64.7 33.2 112 223 A P T 3 S+ 0 0 32 0, 0.0 116,-0.2 0, 0.0 -36,-0.1 -0.144 99.6 28.1 -53.5 152.8 7.3 65.5 33.2 113 224 A P T 3 S+ 0 0 27 0, 0.0 116,-3.1 0, 0.0 117,-1.3 -0.878 109.5 76.7 -94.6 25.5 5.2 65.9 31.2 114 225 A Q B < +o 230 0F 9 -3,-1.6 -3,-0.3 114,-0.2 117,-0.2 -0.807 43.8 179.0 -99.5 126.6 7.0 63.6 28.8 115 226 A N > + 0 0 0 115,-2.7 3,-1.7 -2,-0.5 -1,-0.1 -0.339 34.8 136.5-115.0 44.4 6.8 59.8 29.4 116 227 A D T 3 + 0 0 6 1,-0.3 -1,-0.1 116,-0.1 115,-0.1 0.844 69.1 58.6 -59.7 -32.8 9.0 59.1 26.3 117 228 A I T 3 S- 0 0 0 -3,-0.2 -1,-0.3 -8,-0.1 4,-0.1 0.442 106.9-128.2 -82.4 6.8 10.9 56.5 28.4 118 229 A D X - 0 0 0 -3,-1.7 3,-1.7 281,-0.1 4,-0.2 0.947 26.8-168.0 45.0 67.2 7.7 54.5 29.1 119 230 A L G > S+ 0 0 0 1,-0.3 3,-2.5 2,-0.2 25,-0.2 0.814 75.7 69.0 -54.8 -32.8 8.2 54.4 32.9 120 231 A H G 3 S+ 0 0 10 280,-0.4 25,-0.9 1,-0.3 -1,-0.3 0.696 91.3 60.6 -67.6 -11.6 5.5 51.8 33.4 121 232 A A G < S+ 0 0 13 -3,-1.7 25,-0.4 23,-0.2 -1,-0.3 0.534 97.9 89.4 -86.5 -2.7 7.6 49.2 31.7 122 233 A N < - 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0 0 63 -4,-2.4 2,-0.1 -5,-0.3 3,-0.1 -0.229 62.9-122.1 -69.1 163.5 -15.1 60.4 19.7 432 543 A E > - 0 0 121 1,-0.2 3,-1.9 4,-0.1 2,-0.2 -0.308 55.6 -45.1 -92.6-174.3 -15.2 63.6 21.7 433 544 A A T 3 S- 0 0 104 1,-0.3 -1,-0.2 -2,-0.1 0, 0.0 -0.318 125.5 -17.2 -56.5 112.3 -13.0 66.7 21.5 434 545 A G T 3 S+ 0 0 59 -2,-0.2 2,-0.7 1,-0.2 -1,-0.3 0.788 91.1 166.6 58.4 32.0 -9.4 65.4 21.3 435 546 A E < - 0 0 19 -3,-1.9 -1,-0.2 -8,-0.1 -4,-0.1 -0.696 30.1-133.8 -85.2 110.3 -10.3 62.0 22.5 436 547 A G > - 0 0 4 -2,-0.7 4,-2.1 1,-0.1 -4,-0.1 -0.162 19.8-111.4 -58.0 156.4 -7.6 59.4 22.0 437 548 A F H > S+ 0 0 0 -77,-0.3 4,-2.2 1,-0.2 5,-0.2 0.908 112.4 49.2 -53.7 -60.4 -8.3 56.0 20.6 438 549 A G H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.905 110.9 52.5 -53.3 -40.6 -7.7 53.8 23.6 439 550 A D H >> S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 3,-0.6 0.951 108.2 50.1 -62.3 -47.6 -9.8 56.1 25.7 440 551 A F H 3X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 6,-0.3 0.850 106.7 54.3 -58.1 -39.1 -12.7 55.8 23.3 441 552 A T H 3<>S+ 0 0 0 -4,-2.2 6,-1.8 1,-0.2 5,-1.0 0.817 113.0 44.5 -69.1 -22.7 -12.6 52.0 23.2 442 553 A V H <<5S+ 0 0 40 -4,-1.3 3,-0.4 -3,-0.6 -2,-0.2 0.868 118.2 43.0 -84.8 -38.7 -12.8 52.1 27.0 443 554 A R H <5S+ 0 0 116 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.859 113.3 51.2 -73.9 -38.7 -15.6 54.7 27.0 444 555 A A T <5S- 0 0 31 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.475 112.9-112.2 -79.3 -5.1 -17.6 53.2 24.1 445 556 A G T 5S+ 0 0 64 -3,-0.4 -3,-0.2 2,-0.3 3,-0.2 0.592 79.4 128.0 84.7 11.9 -17.7 49.7 25.6 446 557 A I S > S- 0 0 63 1,-0.1 4,-2.7 -294,-0.0 3,-2.5 -0.564 73.5-160.8-157.2 77.6 -5.9 46.0 38.6 453 564 A P H 3> S+ 0 0 16 0, 0.0 4,-1.6 0, 0.0 5,-0.4 0.749 86.3 52.9 -24.8 -66.0 -3.3 44.0 36.5 454 565 A A H 34 S+ 0 0 22 1,-0.2 -296,-0.1 2,-0.1 4,-0.1 0.749 126.7 25.8 -54.8 -22.3 -2.4 41.1 38.8 455 566 A R H <4 S+ 0 0 147 -3,-2.5 -1,-0.2 2,-0.0 -5,-0.0 0.789 131.6 26.3-112.0 -35.9 -6.2 40.4 39.1 456 567 A D H < S+ 0 0 41 -4,-2.7 -2,-0.1 1,-0.1 -5,-0.1 0.297 86.8 94.3-117.5 8.4 -8.1 41.6 36.1 457 568 A L S < S+ 0 0 10 -4,-1.6 -51,-0.4 -5,-0.4 2,-0.2 0.977 84.0 58.1 -63.2 -50.2 -5.8 41.6 33.1 458 569 A W 0 0 65 -5,-0.4 -53,-0.0 -305,-0.1 -305,-0.0 -0.546 360.0 360.0 -87.4 144.2 -6.8 38.2 32.0 459 570 A D 0 0 151 -2,-0.2 -1,-0.1 -53,-0.0 -2,-0.0 0.803 360.0 360.0 -94.7 360.0 -10.3 37.1 31.1