==== 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 26-MAR-04 1SU8 . COMPND 2 MOLECULE: CARBON MONOXIDE DEHYDROGENASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: CARBOXYDOTHERMUS HYDROGENOFORMANS; . AUTHOR H.DOBBEK,V.SVETLITCHNYI,J.LISS,O.MEYER . 633 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 479 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 1.7 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 32 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.5 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 3 3 1 3 1 4 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 2 2 1 5 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 . 1 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 0 1 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 4 A Q >> 0 0 49 0, 0.0 4,-2.4 0, 0.0 3,-1.5 0.000 360.0 360.0 360.0 -12.0 57.1 -8.9 59.1 2 5 A N T 34 + 0 0 105 1,-0.3 6,-0.0 2,-0.2 9,-0.0 0.632 360.0 64.6 -73.0 -7.6 60.4 -7.7 57.8 3 6 A L T 34 S+ 0 0 145 1,-0.1 -1,-0.3 446,-0.1 3,-0.1 0.755 110.7 39.0 -80.6 -17.3 59.4 -8.9 54.4 4 7 A K T <4 S+ 0 0 45 -3,-1.5 446,-2.5 1,-0.3 2,-0.4 0.875 131.8 4.0 -92.8 -50.0 56.7 -6.2 54.6 5 8 A S B < -a 450 0A 0 -4,-2.4 -1,-0.3 444,-0.3 446,-0.1 -1.000 46.1-152.0-140.4 141.3 58.6 -3.4 56.3 6 9 A T S S+ 0 0 38 444,-2.1 2,-0.6 -2,-0.4 445,-0.1 0.485 74.7 101.2 -83.2 -3.8 62.1 -2.8 57.4 7 10 A D > - 0 0 1 443,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.737 65.1-152.4 -84.2 118.8 60.8 -0.4 60.1 8 11 A R H > S+ 0 0 157 -2,-0.6 4,-2.0 1,-0.2 -1,-0.1 0.789 94.5 54.0 -64.2 -30.1 60.7 -2.2 63.4 9 12 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 110.0 48.3 -70.5 -39.7 57.8 -0.1 64.8 10 13 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.925 109.0 53.9 -61.9 -44.4 55.8 -1.0 61.7 11 14 A Q H X S+ 0 0 29 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.921 107.8 50.5 -57.2 -42.3 56.7 -4.7 62.2 12 15 A Q H X S+ 0 0 65 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.920 111.9 46.9 -64.0 -39.9 55.4 -4.5 65.8 13 16 A M H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.854 106.7 58.5 -72.0 -28.9 52.1 -2.9 64.6 14 17 A L H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.895 105.7 49.6 -65.6 -36.6 51.8 -5.5 61.9 15 18 A D H X S+ 0 0 79 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.918 111.9 48.2 -65.8 -39.3 51.9 -8.2 64.5 16 19 A K H X S+ 0 0 20 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.938 111.7 49.1 -64.9 -43.8 49.2 -6.3 66.5 17 20 A A H X>S+ 0 0 1 -4,-3.0 5,-2.4 1,-0.2 4,-0.6 0.911 111.1 52.3 -61.4 -40.6 47.0 -5.9 63.4 18 21 A K H ><5S+ 0 0 159 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.962 110.9 43.4 -61.9 -47.3 47.4 -9.6 62.6 19 22 A R H 3<5S+ 0 0 152 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.840 116.4 49.2 -76.3 -17.6 46.4 -10.9 66.0 20 23 A E H 3<5S- 0 0 95 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.421 110.6-120.2 -93.2 2.0 43.4 -8.4 66.1 21 24 A G T <<5 + 0 0 69 -3,-1.2 2,-0.7 -4,-0.6 -3,-0.2 0.779 58.7 151.7 69.1 28.2 42.3 -9.3 62.6 22 25 A I < - 0 0 13 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.2 -0.836 42.8-132.8 -95.3 117.3 42.7 -5.8 61.2 23 26 A Q - 0 0 111 -2,-0.7 2,-0.2 -3,-0.1 -5,-0.0 -0.483 26.8-165.7 -70.5 134.8 43.4 -6.0 57.4 24 27 A T > - 0 0 1 -2,-0.2 4,-2.4 -10,-0.0 3,-0.4 -0.642 38.3 -94.7-114.1 172.2 46.3 -3.9 56.3 25 28 A V H > S+ 0 0 21 1,-0.2 4,-2.3 285,-0.2 5,-0.2 0.868 125.4 54.8 -53.2 -38.0 47.7 -2.6 52.9 26 29 A W H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.863 107.7 48.6 -69.0 -34.9 50.0 -5.6 52.9 27 30 A D H > S+ 0 0 59 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.897 110.6 50.5 -69.4 -38.3 47.1 -8.0 53.3 28 31 A R H X S+ 0 0 72 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.869 110.3 51.3 -67.7 -34.9 45.2 -6.3 50.5 29 32 A Y H >X S+ 0 0 49 -4,-2.3 3,-1.3 -5,-0.2 4,-0.8 0.937 108.6 49.9 -64.0 -47.3 48.3 -6.6 48.3 30 33 A E H >< S+ 0 0 116 -4,-2.3 3,-1.1 1,-0.3 -2,-0.2 0.920 108.5 53.7 -57.5 -39.3 48.6 -10.3 49.0 31 34 A A H 3< S+ 0 0 81 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.663 105.6 55.6 -67.6 -17.3 45.0 -10.7 48.1 32 35 A M H << S+ 0 0 120 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.530 87.8 145.5 -90.1 -15.0 45.6 -9.0 44.8 33 36 A K << + 0 0 94 -3,-1.1 2,-0.1 -4,-0.8 3,-0.0 -0.532 51.1 41.0 -78.8 146.8 48.4 -11.4 43.7 34 37 A P S S- 0 0 127 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.508 89.3-153.3 -78.3 142.0 49.1 -12.3 41.0 35 38 A Q - 0 0 61 1,-0.1 2,-0.2 -2,-0.1 -2,-0.1 -0.381 32.3 -80.9 -79.1 159.4 48.5 -8.9 39.6 36 39 A C > - 0 0 77 1,-0.2 4,-2.2 -2,-0.1 -1,-0.1 -0.379 31.8-155.7 -65.0 125.1 47.5 -8.3 36.0 37 40 A G H > S+ 0 0 33 -2,-0.2 4,-1.7 2,-0.2 6,-0.3 0.751 91.3 59.6 -74.9 -23.0 50.5 -8.5 33.7 38 41 A F H >>S+ 0 0 54 2,-0.2 5,-1.5 1,-0.2 4,-0.8 0.961 111.9 39.0 -67.4 -49.4 48.8 -6.4 31.0 39 42 A G H >45S+ 0 0 37 1,-0.2 3,-0.8 3,-0.2 -2,-0.2 0.905 112.9 56.5 -65.7 -38.1 48.4 -3.5 33.4 40 43 A E H 3<5S+ 0 0 88 -4,-2.2 544,-0.3 1,-0.3 543,-0.2 0.855 113.5 40.2 -60.4 -36.0 51.8 -4.1 34.9 41 44 A T H 3<5S- 0 0 21 -4,-1.7 544,-2.5 541,-0.2 -1,-0.3 0.495 115.3-113.1 -90.7 -5.9 53.5 -3.8 31.5 42 45 A G T <<5S+ 0 0 12 -3,-0.8 2,-1.2 -4,-0.8 -3,-0.2 0.461 77.5 129.9 87.7 -1.4 51.3 -0.9 30.4 43 46 A L < + 0 0 1 -5,-1.5 12,-1.7 -6,-0.3 2,-0.3 -0.321 45.3 89.2 -89.9 57.5 49.6 -3.0 27.7 44 47 A C E -B 54 0B 51 -2,-1.2 2,-0.4 10,-0.2 10,-0.2 -0.985 50.2-173.0-148.3 139.6 46.0 -2.2 28.6 45 48 A C E +B 53 0B 13 8,-2.7 8,-2.9 -2,-0.3 3,-0.1 -0.999 18.5 167.2-135.1 133.3 43.8 0.6 27.3 46 49 A R + 0 0 197 -2,-0.4 -1,-0.1 6,-0.2 8,-0.0 -0.138 39.6 125.4-127.4 31.8 40.3 1.6 28.5 47 50 A H S S+ 0 0 46 147,-0.1 149,-0.6 6,-0.1 2,-0.3 0.521 75.8 22.6 -76.3 -4.8 40.2 5.0 26.8 48 51 A C S > S- 0 0 46 147,-0.1 3,-1.6 -3,-0.1 -3,-0.0 -0.958 85.5-102.4-149.0 174.3 36.9 4.2 25.0 49 52 A L T 3 S+ 0 0 183 -2,-0.3 -2,-0.0 1,-0.3 -3,-0.0 0.379 111.2 72.8 -83.0 6.3 33.9 1.9 25.4 50 53 A Q T 3 S+ 0 0 114 3,-0.0 -1,-0.3 0, 0.0 -4,-0.0 0.658 100.6 93.0 -81.4 -18.6 35.2 -0.4 22.7 51 54 A G < + 0 0 24 -3,-1.6 2,-0.2 2,-0.1 -5,-0.1 -0.019 17.3 121.2 -76.7-173.0 37.7 -1.5 25.3 52 55 A P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 0.378 59.0-179.2 -73.0 140.5 39.2 -2.8 27.4 53 56 A C E +B 45 0B 20 -8,-2.9 -8,-2.7 -2,-0.2 2,-0.3 -0.878 3.7 176.7-105.4 144.2 42.0 -3.5 24.9 54 57 A R E -B 44 0B 117 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.947 17.7-147.5-140.4 162.7 45.1 -5.3 25.9 55 58 A I - 0 0 8 -12,-1.7 8,-0.2 -2,-0.3 -12,-0.1 -1.000 24.5-119.3-131.1 129.0 48.2 -6.5 24.0 56 59 A N - 0 0 46 6,-2.6 3,-0.1 -2,-0.4 -18,-0.0 -0.580 16.5-139.5 -62.1 129.8 50.1 -9.6 24.8 57 60 A P S S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.918 87.7 2.1 -53.9 -41.8 53.7 -8.6 25.7 58 61 A F S S+ 0 0 189 -3,-0.1 2,-0.4 3,-0.0 527,-0.0 -0.986 109.9 33.4-143.2 151.6 54.7 -11.7 23.7 59 62 A G S S- 0 0 59 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.0 -0.903 90.9 -23.0 115.2-137.3 53.1 -14.4 21.6 60 63 A D S S+ 0 0 128 -2,-0.4 -4,-0.3 1,-0.3 -2,-0.0 -0.083 85.8 4.9-104.2-162.0 50.0 -14.2 19.4 61 64 A E S S+ 0 0 159 -6,-0.1 -1,-0.3 2,-0.1 2,-0.1 -0.251 90.3 64.6 -63.0 151.7 46.9 -11.9 19.3 62 65 A P + 0 0 34 0, 0.0 -6,-2.6 0, 0.0 3,-0.1 0.351 60.9 147.7 -76.0 140.9 45.9 -9.5 20.5 63 66 A K + 0 0 134 1,-0.2 8,-0.4 -8,-0.2 2,-0.3 0.497 64.0 25.4-113.5 -12.2 48.8 -7.5 19.1 64 67 A V S S- 0 0 75 -10,-0.2 -1,-0.2 6,-0.1 6,-0.2 -0.982 86.1 -95.4-153.5 150.4 47.1 -4.1 18.6 65 68 A G > - 0 0 5 4,-3.0 3,-1.8 -2,-0.3 -2,-0.1 -0.249 42.1-104.8 -67.0 161.7 44.2 -2.1 20.1 66 69 A I T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -15,-0.0 0.886 122.5 47.3 -60.1 -40.0 40.8 -2.3 18.4 67 70 A C T 3 S- 0 0 63 1,-0.0 -1,-0.3 2,-0.0 -2,-0.1 0.501 129.2 -94.9 -78.5 -3.1 41.1 1.3 17.0 68 71 A G S < S+ 0 0 44 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.418 71.1 156.8 102.7 1.2 44.7 0.4 15.7 69 72 A A - 0 0 8 -5,-0.1 -4,-3.0 1,-0.1 -1,-0.3 -0.432 33.5-141.9 -64.5 125.1 46.5 1.8 18.8 70 73 A T > - 0 0 59 -2,-0.2 4,-2.9 -6,-0.2 5,-0.3 -0.285 24.6-100.2 -80.4 172.7 49.9 0.1 18.9 71 74 A A H > S+ 0 0 24 -8,-0.4 4,-2.8 1,-0.2 5,-0.3 0.912 124.1 52.2 -58.8 -39.7 51.7 -1.0 22.1 72 75 A E H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 111.6 46.3 -69.9 -36.1 53.9 2.1 21.9 73 76 A V H > S+ 0 0 6 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.947 113.9 47.9 -65.8 -47.7 50.9 4.4 21.6 74 77 A I H X S+ 0 0 5 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.942 114.3 46.1 -61.0 -44.8 49.0 2.7 24.4 75 78 A V H X S+ 0 0 2 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.926 114.7 47.2 -64.2 -43.5 52.0 2.7 26.8 76 79 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.893 111.6 50.6 -67.6 -36.1 52.8 6.3 26.0 77 80 A R H X S+ 0 0 9 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.909 110.6 48.5 -68.2 -42.8 49.2 7.5 26.5 78 81 A G H X S+ 0 0 30 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.923 113.0 48.1 -62.5 -43.1 48.8 5.8 29.8 79 82 A L H X S+ 0 0 11 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.942 109.6 52.5 -62.7 -42.2 52.1 7.3 31.0 80 83 A D H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.915 107.5 51.8 -62.1 -41.9 51.1 10.7 29.8 81 84 A R H X S+ 0 0 60 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.890 108.2 52.6 -62.7 -34.7 47.8 10.5 31.8 82 85 A S H X S+ 0 0 24 -4,-1.9 4,-2.3 2,-0.2 481,-0.3 0.912 109.5 48.5 -65.4 -39.7 49.7 9.6 34.9 83 86 A I H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.928 111.6 49.5 -63.6 -42.5 52.0 12.6 34.5 84 87 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.904 110.1 50.9 -64.0 -40.3 48.9 14.8 34.0 85 88 A A H X S+ 0 0 34 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.905 111.0 48.3 -62.0 -42.7 47.3 13.4 37.1 86 89 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 473,-0.4 3,-0.5 0.949 111.6 49.6 -61.8 -45.8 50.4 14.1 39.1 87 90 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.878 107.2 56.2 -59.7 -36.4 50.6 17.6 37.8 88 91 A A H X S+ 0 0 43 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.831 109.5 46.4 -65.8 -35.6 46.9 18.0 38.7 89 92 A G H X S+ 0 0 15 -4,-1.5 4,-2.2 -3,-0.5 -2,-0.2 0.951 115.9 41.1 -70.2 -53.4 47.6 17.1 42.4 90 93 A H H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.919 120.0 44.4 -66.1 -39.1 50.7 19.3 43.0 91 94 A S H X S+ 0 0 1 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.837 108.5 57.4 -79.2 -23.6 49.3 22.2 41.1 92 95 A G H X S+ 0 0 29 -4,-1.2 4,-2.3 -5,-0.3 -2,-0.2 0.930 109.4 48.1 -60.7 -46.0 45.8 21.8 42.8 93 96 A H H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.942 112.5 47.5 -56.2 -51.5 47.8 22.1 46.1 94 97 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.917 109.6 52.6 -62.3 -42.6 49.6 25.2 44.7 95 98 A K H X S+ 0 0 65 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.907 106.6 53.6 -60.3 -41.0 46.3 26.8 43.5 96 99 A H H X S+ 0 0 30 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.934 110.4 47.3 -58.4 -47.8 44.8 26.3 47.0 97 100 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.878 109.2 53.9 -63.2 -38.0 47.8 28.2 48.5 98 101 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.925 110.3 47.3 -61.8 -44.2 47.5 31.0 45.9 99 102 A H H X S+ 0 0 80 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.889 111.6 51.2 -64.2 -36.4 43.9 31.4 46.8 100 103 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.932 109.4 49.2 -67.6 -44.3 44.8 31.4 50.5 101 104 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.936 112.2 49.3 -59.7 -44.4 47.5 34.1 50.0 102 105 A K H X S+ 0 0 57 -4,-2.3 4,-1.7 1,-0.2 6,-0.3 0.954 112.0 47.8 -61.1 -48.1 45.0 36.3 48.1 103 106 A K H <>S+ 0 0 46 -4,-2.6 5,-2.6 1,-0.2 6,-0.7 0.914 110.8 53.5 -58.5 -41.6 42.3 35.9 50.7 104 107 A A H ><5S+ 0 0 15 -4,-2.6 3,-1.0 1,-0.2 5,-0.3 0.897 111.8 41.3 -59.9 -48.1 44.9 36.8 53.4 105 108 A V H 3<5S+ 0 0 25 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.643 109.6 59.7 -84.2 -10.2 46.1 40.0 51.9 106 109 A Q T 3<5S- 0 0 70 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.399 117.9-110.6 -86.2 3.4 42.5 41.0 50.9 107 110 A G T < 5S+ 0 0 65 -3,-1.0 3,-0.3 -4,-0.2 -3,-0.2 0.574 89.9 116.1 81.1 9.9 41.5 40.9 54.6 108 111 A K S + 0 0 0 -6,-0.7 3,-2.1 -5,-0.3 -1,-0.2 -0.556 60.8 178.7-156.4 79.7 41.3 35.3 56.2 110 113 A A T 3 S+ 0 0 95 1,-0.3 256,-0.1 -3,-0.3 -1,-0.1 0.561 75.9 71.6 -71.5 -9.3 43.0 36.8 59.2 111 114 A S T 3 S+ 0 0 37 254,-0.4 2,-0.3 2,-0.0 -1,-0.3 0.595 97.5 62.7 -77.8 -8.1 44.4 33.6 60.5 112 115 A Y < + 0 0 9 -3,-2.1 2,-0.3 -12,-0.1 -3,-0.1 -0.825 64.5 154.8-117.6 153.2 46.8 33.8 57.5 113 116 A M - 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