==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-MAY-09 3HHP . COMPND 2 MOLECULE: MALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR J.ZAITSEVA,K.M.MENEELY,A.L.LAMB . 1234 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47056.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 929 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 5 0.4 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 . 3 0.2 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 . 76 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 473 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 0 0 1 5 0 0 2 4 4 4 0 0 4 0 0 2 4 0 0 3 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 8 4 4 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 . 8 0 4 4 0 0 4 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 0 0 0 4 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 1 A M 0 0 62 0, 0.0 28,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 145.1 28.3 -12.4 37.5 2 2 A K E -a 29 0A 23 67,-0.3 69,-2.7 26,-0.2 70,-1.8 -0.927 360.0-166.1-112.5 130.2 29.2 -13.9 34.2 3 3 A V E -ab 30 72A 2 26,-2.8 28,-2.7 -2,-0.5 2,-0.5 -0.955 2.9-160.3-113.0 129.1 28.1 -12.4 30.9 4 4 A A E -ab 31 73A 0 68,-2.8 70,-2.9 -2,-0.5 2,-0.6 -0.926 2.4-159.1-103.9 132.3 28.3 -14.2 27.5 5 5 A V E > -ab 32 74A 0 26,-2.7 28,-2.5 -2,-0.5 3,-0.6 -0.950 5.9-162.3-107.6 118.8 28.3 -12.3 24.2 6 6 A L E 3 S+ab 33 75A 0 68,-2.7 70,-2.7 -2,-0.6 71,-1.0 -0.874 80.9 29.7-105.6 125.9 27.2 -14.4 21.3 7 7 A G T > S+ 0 0 3 26,-2.9 3,-1.2 -2,-0.5 6,-0.5 0.669 76.2 154.0 90.6 34.0 28.3 -12.8 18.0 8 8 A A T < + 0 0 0 25,-2.1 26,-0.2 -3,-0.6 9,-0.1 0.566 57.9 64.5 -75.3 -11.9 31.3 -11.1 19.6 9 9 A A T 3 S+ 0 0 15 24,-0.2 -1,-0.3 4,-0.1 25,-0.1 0.683 84.6 89.3 -90.4 -10.0 33.3 -10.8 16.5 10 10 A G S <> S- 0 0 34 -3,-1.2 4,-3.1 1,-0.1 5,-0.2 -0.166 95.8 -96.7 -78.0 175.6 31.1 -8.5 14.6 11 11 A G H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.918 126.0 42.3 -59.8 -45.9 31.2 -4.7 14.8 12 12 A I H > S+ 0 0 37 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.939 114.7 51.0 -62.5 -48.8 28.4 -4.6 17.4 13 13 A G H > S+ 0 0 1 -6,-0.5 4,-2.6 63,-0.2 -2,-0.2 0.866 111.1 47.2 -62.4 -39.1 29.9 -7.5 19.4 14 14 A Q H X S+ 0 0 41 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.891 113.7 47.3 -70.2 -37.9 33.4 -6.0 19.5 15 15 A A H X S+ 0 0 5 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.932 115.2 46.7 -65.9 -48.7 32.1 -2.5 20.6 16 16 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.942 112.5 50.2 -56.6 -49.4 29.8 -4.2 23.3 17 17 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.916 109.5 50.5 -63.4 -35.6 32.7 -6.4 24.5 18 18 A L H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.943 112.6 46.4 -66.0 -44.2 35.1 -3.5 24.8 19 19 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 5,-0.2 0.910 114.5 47.2 -64.4 -40.9 32.5 -1.5 26.8 20 20 A L H X S+ 0 0 1 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.898 107.8 55.3 -67.3 -37.5 31.7 -4.6 29.1 21 21 A K H < S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.876 117.4 37.6 -62.8 -33.4 35.4 -5.4 29.7 22 22 A T H < S+ 0 0 33 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.605 127.3 31.5 -91.0 -17.0 35.9 -1.8 30.9 23 23 A Q H < S+ 0 0 82 -4,-1.5 -3,-0.2 -5,-0.1 -2,-0.2 0.535 83.7 107.1-124.2 -8.0 32.6 -1.2 32.8 24 24 A L S < S- 0 0 10 -4,-2.2 28,-0.1 -5,-0.2 3,-0.1 -0.387 83.9 -88.2 -65.3 151.3 31.4 -4.5 34.3 25 25 A P > - 0 0 39 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.249 53.2 -88.5 -60.7 148.0 31.8 -4.7 38.0 26 26 A S T 3 S+ 0 0 42 1,-0.3 27,-0.2 -3,-0.1 3,-0.1 -0.259 116.1 32.4 -58.8 136.2 35.1 -5.9 39.3 27 27 A G T 3 S+ 0 0 62 25,-3.0 -1,-0.3 1,-0.3 26,-0.2 0.352 89.5 131.3 93.3 0.6 35.1 -9.7 39.7 28 28 A S E < - c 0 53A 3 -3,-1.9 26,-1.7 24,-0.6 2,-0.4 -0.329 48.9-138.5 -72.7 162.5 32.8 -10.2 36.7 29 29 A E E -ac 2 54A 82 -28,-2.3 -26,-2.8 24,-0.2 2,-0.4 -0.961 13.5-164.9-121.7 146.9 33.5 -12.8 33.9 30 30 A L E -ac 3 55A 3 24,-2.8 26,-1.6 -2,-0.4 2,-0.4 -0.998 3.0-171.0-134.3 126.2 33.0 -12.1 30.3 31 31 A S E -ac 4 56A 3 -28,-2.7 -26,-2.7 -2,-0.4 2,-0.4 -0.904 6.3-157.7-116.4 147.2 32.9 -14.8 27.6 32 32 A L E +ac 5 57A 0 24,-2.2 26,-2.0 -2,-0.4 2,-0.4 -0.964 12.5 177.5-121.7 139.9 32.9 -14.1 23.9 33 33 A Y E +ac 6 58A 13 -28,-2.5 -26,-2.9 -2,-0.4 -25,-2.1 -0.995 12.1 143.7-139.9 138.5 31.7 -16.5 21.3 34 34 A D - 0 0 25 24,-1.7 26,-0.2 -2,-0.4 5,-0.2 -0.897 53.4-118.1-163.4 150.7 31.3 -16.3 17.5 35 35 A I S S+ 0 0 100 -2,-0.3 25,-0.7 24,-0.2 24,-0.1 0.788 87.1 103.2 -56.4 -28.5 31.7 -18.7 14.6 36 36 A A S > S- 0 0 27 1,-0.1 3,-1.9 23,-0.1 -2,-0.2 -0.369 76.0-136.1 -60.3 132.2 34.5 -16.4 13.3 37 37 A P T 3 S+ 0 0 92 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.683 98.9 70.6 -66.3 -13.1 38.0 -17.8 14.0 38 38 A V T >> S+ 0 0 24 1,-0.2 4,-1.7 2,-0.1 3,-1.2 0.692 73.3 93.9 -71.6 -18.8 39.2 -14.4 15.2 39 39 A T H <> S+ 0 0 0 -3,-1.9 4,-2.0 1,-0.3 -1,-0.2 0.827 79.7 50.1 -56.3 -44.4 37.0 -14.6 18.3 40 40 A P H 3> S+ 0 0 45 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.900 112.5 51.1 -60.8 -33.0 39.6 -16.0 20.8 41 41 A G H <> S+ 0 0 0 -3,-1.2 4,-2.7 482,-0.8 483,-0.3 0.792 103.5 57.1 -70.0 -30.4 42.0 -13.3 19.6 42 42 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 481,-0.2 -1,-0.2 0.931 110.4 45.4 -61.2 -42.9 39.3 -10.6 20.2 43 43 A A H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.921 111.8 50.0 -70.5 -40.3 39.2 -11.9 23.8 44 44 A V H X S+ 0 0 34 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.927 109.8 52.5 -64.2 -42.2 43.0 -11.9 24.2 45 45 A D H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.976 114.4 42.3 -52.4 -51.8 43.1 -8.3 22.8 46 46 A L H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 -1,-0.2 0.801 102.4 68.7 -65.6 -32.4 40.6 -7.3 25.4 47 47 A S H 3< S+ 0 0 31 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.673 87.6 68.6 -62.5 -16.0 42.4 -9.3 28.2 48 48 A H T << S+ 0 0 0 -3,-1.4 415,-0.3 -4,-0.7 -1,-0.3 0.510 76.3 96.5 -81.2 -2.7 45.3 -6.9 28.0 49 49 A I S < S- 0 0 4 -3,-2.1 2,-2.4 -4,-0.1 411,-0.1 -0.747 84.0-123.3 -88.7 131.7 43.1 -4.1 29.5 50 50 A P + 0 0 20 0, 0.0 2,-0.3 0, 0.0 426,-0.1 -0.378 65.2 121.1 -85.6 71.2 43.8 -3.9 33.3 51 51 A T S S- 0 0 43 -2,-2.4 2,-1.9 2,-0.2 -29,-0.1 -0.888 74.4-109.3-119.1 156.0 40.3 -4.3 34.7 52 52 A A S S+ 0 0 27 -2,-0.3 -25,-3.0 -28,-0.1 -24,-0.6 -0.358 81.8 111.5 -82.9 62.5 39.2 -7.0 37.1 53 53 A V E -c 28 0A 6 -2,-1.9 2,-0.3 -27,-0.2 -24,-0.2 -0.967 61.8-141.9-135.3 111.7 37.0 -8.8 34.4 54 54 A K E -c 29 0A 120 -26,-1.7 -24,-2.8 -2,-0.4 2,-0.4 -0.601 24.9-169.2 -76.7 136.6 38.2 -12.2 33.3 55 55 A I E +c 30 0A 16 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.987 14.6 169.7-136.1 137.9 37.6 -12.6 29.6 56 56 A K E -c 31 0A 110 -26,-1.6 -24,-2.2 -2,-0.4 2,-0.3 -0.986 16.9-148.3-140.6 149.3 37.9 -15.6 27.3 57 57 A G E -c 32 0A 14 -2,-0.3 2,-0.3 -17,-0.2 -24,-0.2 -0.940 10.3-170.5-126.2 156.5 36.8 -16.2 23.7 58 58 A F E -c 33 0A 52 -26,-2.0 -24,-1.7 -2,-0.3 2,-0.1 -0.958 3.1-178.0-144.3 145.5 35.6 -19.2 21.8 59 59 A S + 0 0 36 -2,-0.3 3,-0.4 -26,-0.2 -24,-0.2 -0.391 38.7 67.2-130.8-159.2 34.8 -20.1 18.2 60 60 A G S S- 0 0 35 -25,-0.7 -26,-0.1 -26,-0.2 -2,-0.1 -0.219 97.6 -56.1 74.8-162.2 33.5 -23.0 16.1 61 61 A E S S+ 0 0 166 -26,-0.1 2,-0.7 1,-0.1 -1,-0.2 0.629 111.5 79.3 -92.5 -18.3 30.0 -24.3 16.2 62 62 A D - 0 0 90 -3,-0.4 4,-0.2 1,-0.1 -1,-0.1 -0.861 47.3-179.2-104.7 110.8 29.6 -25.0 19.9 63 63 A A >> + 0 0 0 -2,-0.7 4,-1.9 1,-0.2 3,-1.1 0.458 55.4 107.0 -81.6 -3.6 28.9 -22.0 22.2 64 64 A T H 3> S+ 0 0 29 1,-0.3 4,-1.8 2,-0.2 3,-0.2 0.859 72.1 52.2 -46.5 -53.0 28.8 -24.3 25.3 65 65 A P H 34 S+ 0 0 47 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.852 113.3 46.4 -61.3 -27.1 32.2 -23.3 26.8 66 66 A A H <4 S+ 0 0 0 -3,-1.1 -2,-0.2 1,-0.2 -35,-0.1 0.833 114.9 47.3 -75.9 -32.5 31.2 -19.6 26.6 67 67 A L H >< S+ 0 0 0 -4,-1.9 3,-2.5 -3,-0.2 -1,-0.2 0.650 78.8 115.8 -83.9 -21.5 27.7 -20.3 28.1 68 68 A E T 3< S- 0 0 111 -4,-1.8 41,-0.1 1,-0.3 40,-0.0 -0.323 95.2 -2.6 -55.4 122.1 28.7 -22.5 31.0 69 69 A G T 3 S+ 0 0 58 39,-0.5 -67,-0.3 1,-0.2 -1,-0.3 0.557 92.7 159.2 75.9 7.4 27.7 -20.7 34.2 70 70 A A < - 0 0 7 -3,-2.5 -1,-0.2 1,-0.2 -67,-0.2 -0.415 26.8-174.4 -70.0 138.2 26.5 -17.6 32.3 71 71 A D S S+ 0 0 60 -69,-2.7 42,-2.8 1,-0.3 2,-0.4 0.690 77.7 26.9 -95.4 -31.7 24.1 -15.3 34.2 72 72 A V E -bd 3 113A 0 -70,-1.8 -68,-2.8 40,-0.2 2,-0.5 -0.998 65.3-165.8-132.0 133.6 23.4 -13.0 31.2 73 73 A V E -bd 4 114A 0 40,-2.7 42,-3.1 -2,-0.4 2,-0.5 -0.995 3.7-166.3-119.4 120.8 23.6 -13.8 27.5 74 74 A L E -bd 5 115A 1 -70,-2.9 -68,-2.7 -2,-0.5 2,-0.8 -0.952 7.0-159.0-106.0 117.9 23.7 -11.0 25.0 75 75 A I E +bd 6 116A 0 40,-2.9 42,-2.8 -2,-0.5 43,-1.8 -0.889 31.3 150.3-106.3 102.1 23.0 -12.2 21.5 76 76 A S + 0 0 13 -70,-2.7 -63,-0.2 -2,-0.8 -69,-0.2 0.212 32.9 129.5-111.6 12.9 24.3 -9.7 18.9 77 77 A A + 0 0 12 -71,-1.0 2,-0.2 41,-0.1 -70,-0.1 -0.177 38.2 60.9 -65.0 154.6 25.1 -12.3 16.2 78 78 A G S S- 0 0 39 40,-0.1 2,-0.4 19,-0.1 12,-0.0 -0.624 77.4 -70.1 123.7-173.2 23.8 -11.9 12.6 79 79 A V - 0 0 46 11,-0.3 15,-0.1 -2,-0.2 3,-0.1 -0.939 19.1-174.7-129.3 138.4 24.0 -9.5 9.7 80 80 A A S S+ 0 0 61 -2,-0.4 2,-0.3 1,-0.4 -1,-0.1 0.800 83.9 4.5 -90.6 -38.3 22.7 -6.1 9.1 81 81 A R + 0 0 133 139,-0.1 -1,-0.4 9,-0.1 5,-0.1 -0.974 65.8 172.3-149.7 132.4 23.8 -5.8 5.4 82 82 A K > - 0 0 109 3,-0.4 3,-1.9 -2,-0.3 8,-0.1 -0.989 43.8 -90.8-142.6 145.9 25.5 -8.3 3.1 83 83 A P T 3 S+ 0 0 126 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.351 110.8 6.7 -57.7 134.8 26.2 -8.2 -0.6 84 84 A G T 3 S+ 0 0 81 1,-0.2 2,-0.5 5,-0.0 5,-0.0 0.407 101.0 120.2 80.6 -0.3 23.3 -9.6 -2.6 85 85 A M < - 0 0 66 -3,-1.9 -3,-0.4 4,-0.1 -1,-0.2 -0.849 42.6-165.0-110.4 129.2 20.9 -10.0 0.3 86 86 A D > - 0 0 90 -2,-0.5 4,-2.8 -3,-0.1 5,-0.3 -0.358 45.3 -81.3 -98.8-179.4 17.6 -8.3 0.6 87 87 A R H > S+ 0 0 207 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.890 129.1 47.6 -51.3 -48.1 15.4 -7.8 3.6 88 88 A S H > S+ 0 0 71 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.871 112.3 50.4 -63.9 -34.4 13.9 -11.3 3.5 89 89 A D H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.930 111.5 46.7 -70.1 -45.5 17.3 -13.0 3.0 90 90 A L H X S+ 0 0 27 -4,-2.8 4,-2.9 2,-0.2 -11,-0.3 0.883 110.9 54.5 -63.0 -39.4 18.7 -11.1 5.9 91 91 A F H X S+ 0 0 28 -4,-2.4 4,-3.0 -5,-0.3 5,-0.3 0.958 108.5 47.3 -62.0 -45.7 15.7 -12.1 8.0 92 92 A N H X S+ 0 0 84 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.908 113.2 48.6 -65.6 -37.0 16.1 -15.8 7.2 93 93 A V H X S+ 0 0 46 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.958 116.1 42.5 -61.5 -49.5 19.8 -15.7 8.1 94 94 A N H X S+ 0 0 10 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.880 112.8 52.6 -69.5 -37.1 19.2 -13.8 11.4 95 95 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.3 -1,-0.2 0.917 110.5 48.7 -63.3 -40.7 16.2 -15.9 12.4 96 96 A G H X S+ 0 0 30 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.892 111.4 49.0 -65.4 -41.2 18.3 -19.1 11.8 97 97 A I H X S+ 0 0 53 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.937 112.4 47.7 -66.6 -45.7 21.2 -17.8 13.9 98 98 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.929 111.3 51.6 -62.8 -44.1 18.9 -16.7 16.8 99 99 A K H X S+ 0 0 86 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.965 113.7 43.7 -59.5 -44.9 17.1 -20.1 16.7 100 100 A N H X S+ 0 0 88 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.935 115.7 46.1 -62.6 -50.0 20.5 -22.0 16.8 101 101 A L H X S+ 0 0 9 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.884 111.3 51.3 -70.6 -36.3 22.1 -19.8 19.6 102 102 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.881 106.1 55.7 -68.2 -30.0 19.0 -19.8 21.8 103 103 A Q H X S+ 0 0 110 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.912 107.7 49.3 -64.6 -35.7 18.8 -23.6 21.6 104 104 A Q H X S+ 0 0 27 -4,-1.7 4,-2.0 1,-0.2 5,-0.3 0.878 111.1 50.5 -68.4 -41.0 22.5 -23.6 22.9 105 105 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.906 107.1 52.3 -57.5 -45.3 21.4 -21.3 25.7 106 106 A A H < S+ 0 0 10 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.828 113.5 46.3 -63.8 -29.8 18.5 -23.5 26.6 107 107 A K H < S+ 0 0 174 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.865 126.0 22.8 -76.5 -42.7 20.9 -26.4 26.9 108 108 A T H < S+ 0 0 34 -4,-2.0 -39,-0.5 1,-0.1 -3,-0.2 0.842 137.1 12.3-100.1 -40.3 23.7 -24.9 28.8 109 109 A C >< + 0 0 8 -4,-2.2 3,-2.1 -5,-0.3 -1,-0.1 -0.366 64.0 158.3-139.2 61.8 22.4 -21.9 30.8 110 110 A P T 3 S+ 0 0 45 0, 0.0 29,-0.1 0, 0.0 -4,-0.1 0.635 74.0 57.1 -69.1 -15.5 18.7 -22.0 30.7 111 111 A K T 3 S+ 0 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