==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-OCT-07 3B51 . COMPND 2 MOLECULE: CARBON MONOXIDE DEHYDROGENASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: CARBOXYDOTHERMUS HYDROGENOFORMANS Z- . AUTHOR J.H.JEOUNG,H.DOBBEK . 633 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 76.3 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 . 33 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.4 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 3 2 1 0 3 4 0 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 X Q >> 0 0 49 0, 0.0 4,-2.4 0, 0.0 3,-1.6 0.000 360.0 360.0 360.0 -13.5 57.1 -8.9 59.0 2 5 X N T 34 + 0 0 108 1,-0.3 9,-0.0 2,-0.2 6,-0.0 0.677 360.0 62.1 -61.0 -21.9 60.6 -7.9 57.7 3 6 X L T 34 S+ 0 0 158 1,-0.1 -1,-0.3 446,-0.1 3,-0.1 0.709 110.4 39.3 -76.6 -20.6 59.4 -9.0 54.3 4 7 X K T <4 S+ 0 0 58 -3,-1.6 446,-2.5 1,-0.3 2,-0.4 0.858 130.5 5.0 -94.4 -47.5 56.7 -6.2 54.5 5 8 X S B < -a 450 0A 0 -4,-2.4 -1,-0.3 444,-0.3 446,-0.1 -1.000 46.1-153.2-142.4 141.2 58.6 -3.4 56.1 6 9 X T S S+ 0 0 38 444,-2.1 2,-0.6 -2,-0.4 445,-0.1 0.480 75.3 100.0 -86.4 -3.3 62.2 -2.8 57.2 7 10 X D > - 0 0 1 443,-0.2 4,-2.4 1,-0.1 3,-0.2 -0.745 65.9-152.7 -85.4 119.5 60.9 -0.4 59.9 8 11 X R H > S+ 0 0 163 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.800 94.8 54.6 -65.2 -31.2 60.8 -2.2 63.3 9 12 X A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 110.1 47.4 -66.3 -42.0 57.9 0.0 64.6 10 13 X V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.924 109.6 53.6 -63.2 -43.7 55.9 -0.9 61.5 11 14 X Q H X S+ 0 0 28 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.911 107.6 51.3 -57.1 -43.8 56.7 -4.6 62.0 12 15 X Q H X S+ 0 0 64 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.914 111.9 45.9 -62.6 -42.2 55.5 -4.4 65.6 13 16 X M H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.816 107.0 58.5 -71.3 -30.4 52.2 -2.9 64.4 14 17 X L H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.912 105.7 49.9 -62.1 -40.3 51.8 -5.5 61.7 15 18 X D H X S+ 0 0 76 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.905 111.8 48.3 -63.3 -41.0 52.0 -8.1 64.3 16 19 X K H X S+ 0 0 23 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.945 111.6 49.0 -64.2 -48.0 49.3 -6.2 66.3 17 20 X A H X>S+ 0 0 1 -4,-3.2 5,-2.5 2,-0.2 4,-0.6 0.898 112.0 49.6 -58.2 -40.4 47.1 -5.9 63.2 18 21 X K H ><5S+ 0 0 158 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.958 111.0 49.1 -61.3 -51.4 47.5 -9.6 62.4 19 22 X R H 3<5S+ 0 0 149 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.822 115.9 43.7 -53.1 -39.2 46.5 -10.6 66.0 20 23 X E H 3<5S- 0 0 94 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.416 111.2-117.7 -94.5 -2.3 43.5 -8.3 65.9 21 24 X G T <<5 + 0 0 68 -3,-1.2 2,-0.7 -4,-0.6 -3,-0.2 0.775 59.4 152.6 72.5 26.6 42.3 -9.3 62.4 22 25 X I < - 0 0 15 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.825 42.5-132.2 -93.0 115.5 42.7 -5.8 60.9 23 26 X Q - 0 0 111 -2,-0.7 2,-0.2 -3,-0.1 315,-0.0 -0.434 27.3-165.4 -68.1 134.5 43.4 -6.0 57.2 24 27 X T > - 0 0 3 -2,-0.2 4,-2.6 1,-0.1 3,-0.3 -0.660 38.7 -94.9-114.2 173.5 46.4 -3.9 56.0 25 28 X V H > S+ 0 0 21 1,-0.2 4,-2.1 285,-0.2 5,-0.1 0.859 126.1 54.0 -53.6 -37.7 47.7 -2.6 52.7 26 29 X W H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.880 108.3 48.6 -68.9 -35.7 50.1 -5.6 52.7 27 30 X D H > S+ 0 0 57 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.904 111.0 49.7 -67.5 -41.0 47.2 -8.0 53.1 28 31 X R H X S+ 0 0 69 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.851 110.8 51.4 -67.5 -33.9 45.2 -6.3 50.4 29 32 X Y H >X S+ 0 0 49 -4,-2.1 3,-1.3 -5,-0.2 4,-0.8 0.950 108.9 49.1 -64.1 -49.7 48.4 -6.6 48.2 30 33 X E H >< S+ 0 0 116 -4,-2.4 3,-1.2 1,-0.3 -2,-0.2 0.918 108.9 54.4 -56.2 -42.2 48.7 -10.3 48.9 31 34 X A H 3< S+ 0 0 79 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.691 104.8 55.6 -63.8 -19.8 45.0 -10.7 48.0 32 35 X M H << S+ 0 0 118 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.571 87.5 147.2 -89.7 -14.2 45.6 -9.0 44.7 33 36 X K << + 0 0 93 -3,-1.2 2,-0.1 -4,-0.8 3,-0.0 -0.492 51.9 39.7 -74.9 143.2 48.4 -11.4 43.5 34 37 X P S S- 0 0 127 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.552 88.8-153.2 -79.7 139.6 49.0 -12.3 40.8 35 38 X Q - 0 0 65 1,-0.1 2,-0.2 -2,-0.1 -2,-0.1 -0.372 33.2 -80.5 -76.6 158.1 48.4 -8.9 39.4 36 39 X C > - 0 0 76 1,-0.2 4,-2.3 -2,-0.1 -1,-0.1 -0.385 31.7-152.9 -62.5 123.6 47.4 -8.4 35.8 37 40 X G H > S+ 0 0 33 -2,-0.2 4,-1.5 2,-0.2 6,-0.3 0.757 94.0 58.4 -71.3 -25.5 50.4 -8.7 33.4 38 41 X F H >>S+ 0 0 51 2,-0.2 5,-1.6 1,-0.2 4,-0.9 0.970 110.8 41.2 -65.9 -51.6 48.7 -6.4 30.8 39 42 X G H >45S+ 0 0 38 1,-0.2 3,-0.7 3,-0.2 -2,-0.2 0.906 111.9 56.8 -60.1 -42.1 48.4 -3.6 33.3 40 43 X E H 3<5S+ 0 0 89 -4,-2.3 544,-0.3 1,-0.2 543,-0.2 0.836 113.7 38.6 -56.5 -39.7 51.9 -4.2 34.7 41 44 X T H 3<5S- 0 0 22 -4,-1.5 544,-2.5 -3,-0.3 -1,-0.2 0.479 114.0-113.3 -93.0 -6.6 53.5 -3.8 31.2 42 45 X G T <<5S+ 0 0 12 -4,-0.9 2,-1.3 -3,-0.7 -3,-0.2 0.448 76.6 131.2 87.7 3.1 51.2 -0.9 30.2 43 46 X L < + 0 0 1 -5,-1.6 12,-1.7 -6,-0.3 2,-0.3 -0.312 44.3 90.0 -93.4 54.3 49.5 -3.0 27.5 44 47 X C E -B 54 0B 52 -2,-1.3 2,-0.4 10,-0.2 10,-0.2 -0.991 50.7-170.6-144.4 140.4 45.9 -2.2 28.4 45 48 X C E +B 53 0B 13 8,-2.8 8,-3.0 -2,-0.3 3,-0.1 -0.995 20.1 165.9-136.0 131.5 43.7 0.6 27.2 46 49 X R + 0 0 201 -2,-0.4 -1,-0.1 6,-0.2 8,-0.0 -0.119 40.3 123.9-126.9 33.1 40.3 1.7 28.4 47 50 X H S S+ 0 0 45 147,-0.1 149,-0.6 148,-0.1 2,-0.3 0.483 76.6 23.2 -80.7 -1.1 40.2 5.1 26.7 48 51 X C S > S- 0 0 45 147,-0.1 3,-1.4 -3,-0.1 -3,-0.0 -0.977 85.1-102.6-152.8 173.3 36.9 4.2 24.9 49 52 X L T 3 S+ 0 0 181 -2,-0.3 -2,-0.0 1,-0.3 -3,-0.0 0.425 110.7 72.1 -82.4 4.1 33.8 2.0 25.2 50 53 X Q T 3 S+ 0 0 119 3,-0.0 -1,-0.3 0, 0.0 -4,-0.0 0.684 101.2 90.6 -79.3 -21.0 35.1 -0.4 22.5 51 54 X G < + 0 0 23 -3,-1.4 -5,-0.1 2,-0.1 2,-0.1 -0.042 18.2 124.3 -76.6-172.1 37.6 -1.5 25.1 52 55 X P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 0.313 60.9-179.1 -71.1 140.1 39.0 -2.8 27.3 53 56 X C E +B 45 0B 20 -8,-3.0 -8,-2.8 -2,-0.1 2,-0.3 -0.823 4.6 176.8-106.6 147.5 41.8 -3.5 24.8 54 57 X R E -B 44 0B 117 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.961 18.6-147.2-143.3 162.2 45.0 -5.3 25.6 55 58 X I - 0 0 8 -12,-1.7 8,-0.2 -2,-0.3 -12,-0.1 -1.000 25.9-119.4-130.9 129.3 48.0 -6.5 23.8 56 59 X N - 0 0 47 6,-2.5 3,-0.1 -2,-0.4 -18,-0.0 -0.541 17.3-139.0 -63.1 126.2 49.9 -9.6 24.6 57 60 X P S S+ 0 0 55 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.931 87.5 4.2 -49.1 -44.4 53.5 -8.6 25.6 58 61 X F S S+ 0 0 193 -3,-0.0 2,-0.4 2,-0.0 527,-0.0 -0.986 110.0 29.9-141.0 152.8 54.6 -11.7 23.5 59 62 X G S S- 0 0 60 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.0 -0.891 90.8 -22.5 113.2-132.0 53.0 -14.3 21.4 60 63 X D S S+ 0 0 124 -2,-0.4 -4,-0.3 1,-0.3 -2,-0.0 -0.096 85.9 9.2-107.6-162.9 49.9 -14.1 19.2 61 64 X E S S+ 0 0 169 -6,-0.1 -1,-0.3 2,-0.1 2,-0.1 -0.213 91.3 62.1 -60.4 151.7 46.7 -12.0 19.1 62 65 X P + 0 0 31 0, 0.0 -6,-2.5 0, 0.0 3,-0.1 0.392 61.6 149.0 -72.7 138.3 45.7 -9.5 20.4 63 66 X K + 0 0 139 1,-0.2 8,-0.4 -8,-0.2 2,-0.3 0.504 64.1 24.9-110.3 -11.8 48.6 -7.5 18.9 64 67 X V S S- 0 0 75 -10,-0.2 -1,-0.2 6,-0.1 6,-0.2 -0.980 86.0 -94.1-155.8 149.2 47.0 -4.1 18.4 65 68 X G > - 0 0 5 4,-3.1 3,-1.5 -2,-0.3 -2,-0.1 -0.215 43.1-106.2 -62.6 160.1 44.1 -2.1 19.9 66 69 X I T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -15,-0.0 0.884 122.5 47.3 -59.6 -40.5 40.7 -2.3 18.3 67 70 X C T 3 S- 0 0 61 1,-0.0 -1,-0.3 2,-0.0 -2,-0.0 0.506 130.2 -94.4 -77.4 -5.4 41.0 1.2 16.9 68 71 X G S < S+ 0 0 43 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.404 70.5 158.5 103.6 0.3 44.5 0.4 15.6 69 72 X A - 0 0 8 -5,-0.1 -4,-3.1 1,-0.1 -1,-0.3 -0.418 32.3-140.9 -59.3 123.5 46.4 1.8 18.6 70 73 X T > - 0 0 59 -2,-0.2 4,-2.9 -6,-0.2 5,-0.2 -0.275 24.7-102.0 -77.9 169.6 49.8 0.1 18.8 71 74 X A H > S+ 0 0 25 -8,-0.4 4,-2.6 1,-0.2 5,-0.2 0.880 124.5 52.6 -56.4 -37.8 51.6 -1.0 21.9 72 75 X E H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 111.4 45.1 -73.7 -34.5 53.8 2.1 21.7 73 76 X V H > S+ 0 0 5 2,-0.2 4,-3.0 3,-0.2 5,-0.2 0.944 114.6 48.2 -67.4 -48.8 50.7 4.4 21.5 74 77 X I H X S+ 0 0 5 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.945 114.8 45.3 -60.9 -45.2 48.9 2.6 24.3 75 78 X V H X S+ 0 0 2 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.935 115.1 46.7 -65.1 -46.4 51.9 2.7 26.6 76 79 X A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.903 112.3 50.8 -63.2 -41.1 52.7 6.4 25.8 77 80 X R H X S+ 0 0 9 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.927 110.7 48.0 -63.4 -45.3 49.1 7.4 26.3 78 81 X G H X S+ 0 0 36 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.934 113.4 48.2 -60.1 -44.8 48.7 5.7 29.7 79 82 X L H X S+ 0 0 14 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.923 109.3 52.7 -62.1 -45.8 52.0 7.3 30.9 80 83 X D H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.908 107.4 51.8 -58.2 -42.4 51.0 10.7 29.7 81 84 X R H X S+ 0 0 60 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.897 107.8 52.6 -64.0 -34.5 47.7 10.5 31.6 82 85 X S H X S+ 0 0 18 -4,-1.9 4,-2.3 2,-0.2 481,-0.3 0.919 109.6 48.6 -65.1 -41.0 49.7 9.5 34.8 83 86 X I H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.928 111.5 49.6 -63.7 -46.1 51.9 12.6 34.3 84 87 X A H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.907 109.9 51.1 -57.6 -43.5 48.8 14.8 33.8 85 88 X A H X S+ 0 0 32 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.899 111.1 47.8 -63.5 -42.0 47.2 13.3 37.0 86 89 X G H X S+ 0 0 0 -4,-2.3 4,-2.4 473,-0.4 3,-0.4 0.955 111.6 50.2 -60.5 -48.8 50.4 14.1 39.0 87 90 X A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.853 107.4 55.4 -55.7 -38.6 50.5 17.6 37.6 88 91 X A H X S+ 0 0 42 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.845 109.4 46.9 -66.4 -34.8 46.9 18.0 38.6 89 92 X G H X S+ 0 0 14 -4,-1.5 4,-2.2 -3,-0.4 -2,-0.2 0.954 115.7 41.5 -70.0 -54.0 47.7 17.1 42.2 90 93 X H H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.888 119.2 45.3 -66.2 -38.7 50.7 19.3 42.6 91 94 X S H X S+ 0 0 1 -4,-2.4 4,-2.9 -5,-0.3 -1,-0.2 0.828 108.6 55.6 -77.7 -28.0 49.1 22.2 40.8 92 95 X G H X S+ 0 0 28 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.931 109.8 49.0 -60.4 -47.7 45.8 21.8 42.7 93 96 X H H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.932 113.2 46.0 -50.7 -53.8 47.9 22.1 45.9 94 97 X A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.914 110.7 52.5 -61.6 -45.1 49.6 25.3 44.5 95 98 X K H X S+ 0 0 62 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.904 106.6 53.7 -56.1 -44.4 46.3 26.8 43.3 96 99 X H H X S+ 0 0 35 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.927 110.4 46.8 -57.5 -45.8 44.9 26.3 46.8 97 100 X L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.874 109.4 54.6 -64.5 -37.7 47.8 28.2 48.3 98 101 X A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.923 109.9 46.0 -64.5 -44.2 47.5 31.0 45.7 99 102 X H H X S+ 0 0 78 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.876 111.4 53.6 -64.9 -36.5 43.9 31.6 46.6 100 103 X T H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.926 109.1 47.3 -64.6 -44.6 44.8 31.5 50.3 101 104 X L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.929 112.2 50.6 -61.8 -44.4 47.5 34.2 49.8 102 105 X K H X S+ 0 0 51 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.947 112.4 46.2 -58.0 -50.1 45.1 36.3 47.8 103 106 X K H <>S+ 0 0 51 -4,-2.6 5,-2.9 1,-0.2 6,-0.7 0.911 110.7 54.4 -57.4 -44.6 42.4 36.0 50.5 104 107 X A H ><5S+ 0 0 15 -4,-2.6 3,-1.0 1,-0.2 5,-0.2 0.920 112.9 40.0 -58.5 -47.9 45.0 36.8 53.2 105 108 X V H 3<5S+ 0 0 27 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.694 110.6 58.9 -81.6 -16.5 46.2 40.0 51.7 106 109 X Q T 3<5S- 0 0 81 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.354 118.4-109.9 -86.0 2.3 42.6 41.1 50.7 107 110 X G T < 5S+ 0 0 68 -3,-1.0 3,-0.2 -4,-0.3 -3,-0.2 0.707 90.1 112.2 79.4 22.2 41.6 40.9 54.3 108 111 X K S + 0 0 1 -6,-0.7 3,-2.1 -5,-0.2 -1,-0.2 -0.589 60.2 176.2-151.4 79.0 41.4 35.3 55.9 110 113 X A T 3 S+ 0 0 95 1,-0.3 256,-0.1 256,-0.2 -1,-0.1 0.540 74.9 73.6 -72.0 -8.8 43.1 36.9 58.9 111 114 X S T 3 S+ 0 0 35 254,-0.4 2,-0.3 2,-0.0 -1,-0.3 0.620 97.5 61.4 -70.6 -15.7 44.4 33.5 60.1 112 115 X Y < + 0 0 8 -3,-2.1 2,-0.3 -12,-0.1 -3,-0.1 -0.825 64.0 152.9-117.0 154.4 46.9 33.8 57.2 113 116 X M - 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