==== 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 14-MAY-07 2PWZ . COMPND 2 MOLECULE: MALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.A.G.SODERBERG,T.A.CLARKE,D.J.RICHARDSON,A.M.HEMMINGS . 1244 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 942 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 7.2 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 . 4 0.3 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 . 4 0.3 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 . 88 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 475 38.2 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 4 4 0 0 3 4 3 5 1 0 4 0 0 0 5 0 0 1 2 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 2 2 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 65 0, 0.0 28,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 146.6 -26.9 -6.3 -45.4 2 2 A K E -a 29 0A 23 67,-0.3 69,-3.0 26,-0.2 70,-1.8 -0.975 360.0-167.3-112.6 131.0 -25.9 -8.0 -48.7 3 3 A V E -ab 30 72A 1 26,-2.4 28,-2.7 -2,-0.4 2,-0.4 -0.955 2.9-160.8-119.3 129.8 -27.0 -6.4 -52.0 4 4 A A E -ab 31 73A 0 68,-2.5 70,-3.1 -2,-0.4 2,-0.5 -0.914 2.4-158.8-109.8 132.7 -26.8 -8.1 -55.4 5 5 A V E > -ab 32 74A 0 26,-2.1 28,-2.7 -2,-0.4 2,-0.7 -0.965 3.7-163.9-111.4 119.9 -26.9 -6.2 -58.7 6 6 A L E 3 S+ab 33 75A 0 68,-2.6 70,-2.0 -2,-0.5 71,-1.8 -0.935 82.9 33.0-107.2 113.5 -28.0 -8.3 -61.6 7 7 A G T > S+ 0 0 3 26,-3.2 3,-1.3 -2,-0.7 6,-0.5 0.558 75.3 153.6 109.3 25.2 -26.9 -6.4 -64.8 8 8 A A T < + 0 0 0 25,-1.7 26,-0.2 -3,-0.6 9,-0.1 0.498 61.3 58.2 -67.7 -10.3 -23.8 -5.0 -63.2 9 9 A A T 3 S+ 0 0 18 24,-0.2 -1,-0.2 4,-0.1 25,-0.1 0.563 87.3 89.4 -98.5 -11.2 -21.7 -4.6 -66.4 10 10 A G S <> S- 0 0 35 -3,-1.3 4,-2.6 1,-0.1 5,-0.2 -0.209 96.4 -95.0 -76.6 173.8 -24.1 -2.3 -68.3 11 11 A G H > S+ 0 0 42 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.912 126.7 42.2 -54.7 -49.4 -24.1 1.5 -68.0 12 12 A I H > S+ 0 0 38 2,-0.2 4,-3.0 64,-0.2 5,-0.2 0.919 114.4 51.5 -63.9 -50.0 -26.8 1.6 -65.3 13 13 A G H > S+ 0 0 1 -6,-0.5 4,-3.0 2,-0.2 -2,-0.2 0.898 110.5 46.9 -56.1 -47.2 -25.3 -1.4 -63.4 14 14 A Q H X S+ 0 0 42 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.884 114.2 48.1 -65.3 -36.7 -21.8 0.1 -63.2 15 15 A A H X S+ 0 0 5 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.933 115.6 45.6 -65.7 -48.3 -23.2 3.5 -62.1 16 16 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.925 113.4 48.6 -54.1 -53.1 -25.3 1.8 -59.5 17 17 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.914 110.7 50.4 -62.1 -43.9 -22.5 -0.4 -58.3 18 18 A L H X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.877 113.0 47.0 -58.8 -41.6 -20.0 2.5 -58.0 19 19 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 3,-0.2 0.905 112.9 48.4 -71.0 -38.7 -22.6 4.5 -56.0 20 20 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.883 103.2 60.9 -68.6 -39.2 -23.4 1.5 -53.7 21 21 A K H < S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.840 116.9 32.0 -53.4 -41.0 -19.7 0.7 -53.0 22 22 A T H < S+ 0 0 36 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.811 126.2 40.2 -87.6 -31.2 -19.2 4.2 -51.5 23 23 A Q H < S+ 0 0 87 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.681 83.4 101.4 -99.6 -19.5 -22.7 4.8 -50.0 24 24 A L S < S- 0 0 8 -4,-2.7 28,-0.1 -5,-0.2 3,-0.1 -0.313 86.8 -89.3 -56.7 147.9 -23.8 1.4 -48.5 25 25 A P > - 0 0 41 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.246 53.6 -87.8 -52.5 146.2 -23.5 1.3 -44.7 26 26 A S T 3 S+ 0 0 38 1,-0.2 27,-0.2 -3,-0.1 3,-0.1 -0.356 117.2 35.4 -55.8 135.4 -20.2 0.0 -43.4 27 27 A G T 3 S+ 0 0 29 25,-3.3 -1,-0.2 1,-0.3 26,-0.2 0.289 88.2 133.4 95.6 -6.5 -20.2 -3.8 -43.0 28 28 A S E < - c 0 53A 0 -3,-1.9 26,-1.6 24,-0.5 2,-0.4 -0.302 47.4-140.0 -70.5 159.0 -22.4 -4.2 -46.1 29 29 A E E -ac 2 54A 83 -28,-2.3 -26,-2.4 24,-0.2 2,-0.4 -0.915 12.3-163.0-119.3 146.6 -21.6 -6.8 -48.8 30 30 A L E -ac 3 55A 2 24,-2.8 26,-1.9 -2,-0.4 2,-0.4 -0.973 4.7-173.3-136.1 120.9 -22.0 -6.2 -52.5 31 31 A S E -ac 4 56A 3 -28,-2.7 -26,-2.1 -2,-0.4 2,-0.4 -0.894 7.5-157.9-112.4 144.0 -22.2 -8.8 -55.2 32 32 A L E +ac 5 57A 0 24,-2.7 26,-1.7 -2,-0.4 2,-0.3 -0.975 11.4 179.2-119.8 136.1 -22.3 -8.1 -58.9 33 33 A Y E +ac 6 58A 7 -28,-2.7 -26,-3.2 -2,-0.4 -25,-1.7 -0.999 12.4 146.2-134.6 139.5 -23.6 -10.4 -61.6 34 34 A D - 0 0 25 24,-1.6 26,-0.2 -2,-0.3 5,-0.2 -0.935 51.0-122.3-161.5 144.1 -23.8 -10.1 -65.3 35 35 A I S S+ 0 0 104 -2,-0.3 25,-0.7 24,-0.2 24,-0.1 0.828 87.8 99.3 -54.6 -31.6 -23.6 -12.6 -68.2 36 36 A A S > S- 0 0 32 1,-0.1 3,-1.7 23,-0.1 -2,-0.2 -0.392 78.6-134.4 -64.9 128.9 -20.7 -10.4 -69.6 37 37 A P T 3 S+ 0 0 93 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.615 97.9 73.4 -61.6 -14.8 -17.3 -11.8 -68.7 38 38 A V T >> S+ 0 0 27 1,-0.2 3,-1.7 2,-0.1 4,-1.1 0.786 74.4 90.3 -61.7 -28.4 -16.0 -8.3 -67.7 39 39 A T H <> S+ 0 0 0 -3,-1.7 4,-1.8 1,-0.3 -1,-0.2 0.708 77.3 53.6 -52.8 -45.5 -18.1 -8.5 -64.5 40 40 A P H 3> S+ 0 0 41 0, 0.0 4,-1.7 0, 0.0 17,-0.4 0.854 113.3 47.5 -55.6 -35.4 -15.7 -10.1 -62.0 41 41 A G H <> S+ 0 0 0 -3,-1.7 4,-3.0 485,-0.9 486,-0.2 0.699 101.8 61.3 -77.6 -28.4 -13.2 -7.3 -62.9 42 42 A V H X S+ 0 0 0 -4,-1.1 4,-2.4 484,-0.2 -1,-0.2 0.914 110.2 44.5 -58.7 -44.8 -15.8 -4.5 -62.5 43 43 A A H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.931 111.8 49.9 -63.2 -49.2 -15.9 -5.7 -58.9 44 44 A V H X S+ 0 0 38 -4,-1.7 4,-0.5 2,-0.2 -2,-0.2 0.919 110.7 52.6 -57.6 -45.2 -12.1 -6.0 -58.6 45 45 A D H >< S+ 0 0 0 -4,-3.0 3,-1.3 1,-0.2 -2,-0.2 0.963 113.2 42.5 -42.9 -62.9 -12.0 -2.4 -60.0 46 46 A L H >< S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.821 101.6 70.5 -61.5 -31.7 -14.5 -1.2 -57.3 47 47 A S H 3< S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.639 84.6 69.7 -61.1 -18.9 -12.7 -3.2 -54.5 48 48 A H T << S+ 0 0 0 -3,-1.3 418,-0.3 -4,-0.5 -1,-0.3 0.429 76.0 101.1 -81.3 -1.6 -9.8 -0.8 -54.7 49 49 A I S < S- 0 0 4 -3,-2.3 2,-2.5 4,-0.1 4,-0.3 -0.779 80.9-127.4 -83.8 121.8 -12.1 1.8 -53.2 50 50 A P + 0 0 22 0, 0.0 2,-0.3 0, 0.0 429,-0.1 -0.342 64.8 120.0 -76.1 65.4 -11.3 2.2 -49.5 51 51 A T S S- 0 0 40 -2,-2.5 2,-1.9 2,-0.2 -29,-0.1 -0.906 75.7-108.1-119.9 154.6 -14.8 1.8 -48.0 52 52 A A S S+ 0 0 23 -2,-0.3 -25,-3.3 -30,-0.1 -24,-0.5 -0.343 84.1 109.3 -78.1 55.3 -16.0 -0.9 -45.6 53 53 A V E -c 28 0A 6 -2,-1.9 2,-0.3 -4,-0.3 -24,-0.2 -0.948 61.6-144.3-135.7 107.6 -18.1 -2.7 -48.2 54 54 A K E -c 29 0A 123 -26,-1.6 -24,-2.8 -2,-0.4 2,-0.4 -0.572 23.6-171.5 -74.3 134.7 -16.9 -6.1 -49.5 55 55 A I E +c 30 0A 24 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.989 12.9 175.3-133.9 138.6 -17.6 -6.5 -53.2 56 56 A K E -c 31 0A 137 -26,-1.9 -24,-2.7 -2,-0.4 2,-0.3 -0.991 17.3-142.6-142.9 146.4 -17.2 -9.5 -55.6 57 57 A G E -c 32 0A 9 -17,-0.4 2,-0.3 -2,-0.3 -24,-0.2 -0.821 15.2-172.7-114.0 148.0 -18.2 -9.9 -59.2 58 58 A F E +c 33 0A 34 -26,-1.7 -24,-1.6 -2,-0.3 2,-0.2 -0.982 6.2 172.3-142.7 147.8 -19.6 -12.9 -61.0 59 59 A S + 0 0 34 -2,-0.3 3,-0.2 -26,-0.2 -24,-0.2 -0.553 34.6 78.1-139.2-156.3 -20.4 -14.0 -64.6 60 60 A G S S- 0 0 37 -25,-0.7 -26,-0.1 -26,-0.2 -2,-0.1 -0.342 95.3 -63.7 73.1-166.1 -21.5 -17.1 -66.6 61 61 A E S S+ 0 0 168 1,-0.1 2,-0.7 -2,-0.1 -1,-0.2 0.696 113.1 79.5 -91.0 -23.5 -25.2 -18.2 -66.8 62 62 A D - 0 0 92 -3,-0.2 4,-0.2 1,-0.1 -1,-0.1 -0.790 50.2-177.8 -96.3 106.6 -25.6 -19.1 -63.0 63 63 A A >> + 0 0 0 -2,-0.7 4,-1.5 1,-0.2 3,-1.1 0.524 54.4 108.5 -80.1 -4.3 -26.2 -16.0 -60.7 64 64 A T H 3> S+ 0 0 25 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.762 72.4 48.9 -42.9 -52.9 -26.3 -18.3 -57.6 65 65 A P H 34 S+ 0 0 52 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.825 113.5 48.5 -67.1 -26.3 -23.0 -17.3 -56.0 66 66 A A H <4 S+ 0 0 0 -3,-1.1 -2,-0.2 -4,-0.2 -35,-0.1 0.806 115.6 47.3 -67.7 -32.2 -23.9 -13.6 -56.4 67 67 A L H >< S+ 0 0 0 -4,-1.5 3,-2.2 -3,-0.1 -3,-0.2 0.658 78.5 113.7 -89.6 -24.5 -27.3 -14.4 -54.9 68 68 A E T 3< S- 0 0 116 -4,-1.6 41,-0.1 1,-0.3 40,-0.0 -0.333 95.5 -0.4 -58.7 121.6 -26.4 -16.5 -51.8 69 69 A G T 3 S+ 0 0 60 39,-0.4 -67,-0.3 1,-0.2 -1,-0.3 0.504 92.1 159.4 76.9 5.1 -27.4 -14.6 -48.6 70 70 A A < - 0 0 7 -3,-2.2 -1,-0.2 1,-0.1 -67,-0.2 -0.396 24.2-176.9 -64.9 133.9 -28.6 -11.6 -50.6 71 71 A D S S+ 0 0 59 -69,-3.0 42,-2.7 1,-0.4 2,-0.4 0.712 75.5 28.2 -97.9 -34.3 -31.0 -9.3 -48.7 72 72 A V E -bd 3 113A 0 -70,-1.8 -68,-2.5 40,-0.3 2,-0.4 -0.994 67.5-164.5-129.8 134.8 -31.7 -6.9 -51.5 73 73 A V E -bd 4 114A 0 40,-3.1 42,-3.7 -2,-0.4 2,-0.5 -0.994 2.7-167.5-123.2 123.5 -31.6 -7.8 -55.2 74 74 A L E -bd 5 115A 0 -70,-3.1 -68,-2.6 -2,-0.4 2,-0.8 -0.950 5.0-160.8-114.5 117.9 -31.5 -5.0 -57.8 75 75 A I E +bd 6 116A 0 40,-3.1 42,-2.6 -2,-0.5 43,-1.7 -0.847 30.6 148.8-108.6 100.5 -32.1 -6.0 -61.4 76 76 A S + 0 0 8 -70,-2.0 -69,-0.2 -2,-0.8 -63,-0.2 0.355 31.9 131.2-110.8 0.8 -30.9 -3.5 -63.9 77 77 A A + 0 0 13 -71,-1.8 2,-0.2 41,-0.1 -70,-0.1 -0.046 34.8 76.7 -47.8 152.4 -30.1 -6.0 -66.6 78 78 A G S S- 0 0 39 40,-0.1 2,-0.4 19,-0.1 12,-0.0 -0.519 70.2 -88.4 123.8 167.9 -31.3 -5.4 -70.2 79 79 A V - 0 0 47 11,-0.2 15,-0.1 -2,-0.2 3,-0.1 -0.903 12.9-167.9-119.6 136.2 -30.8 -3.3 -73.3 80 80 A A S S+ 0 0 59 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.660 83.6 8.7 -89.3 -16.5 -32.1 0.1 -74.2 81 81 A R + 0 0 119 9,-0.1 -1,-0.3 139,-0.1 5,-0.1 -0.981 62.9 176.1-165.3 145.3 -31.0 -0.2 -77.8 82 82 A K > - 0 0 100 3,-0.4 3,-1.8 -2,-0.3 8,-0.1 -0.957 42.0 -89.8-163.1 140.1 -29.6 -2.9 -80.1 83 83 A P T 3 S+ 0 0 127 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.307 109.4 1.1 -61.6 134.2 -28.7 -3.0 -83.8 84 84 A G T 3 S+ 0 0 88 1,-0.2 2,-0.4 5,-0.0 5,-0.0 0.358 103.2 122.5 74.5 -4.9 -31.7 -4.2 -86.0 85 85 A M < - 0 0 65 -3,-1.8 -3,-0.4 4,-0.1 -1,-0.2 -0.772 44.3-161.0 -96.2 132.4 -34.0 -4.5 -83.0 86 86 A D >> - 0 0 66 -2,-0.4 4,-2.7 -3,-0.1 3,-0.8 -0.474 43.1 -84.9 -98.7 177.1 -37.3 -2.6 -82.7 87 87 A R H 3> S+ 0 0 178 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.862 130.6 49.1 -51.4 -44.9 -39.3 -1.9 -79.6 88 88 A S H 3> S+ 0 0 62 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.795 112.2 48.2 -61.8 -36.9 -41.0 -5.3 -79.8 89 89 A D H <> S+ 0 0 62 -3,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.914 112.1 49.2 -69.6 -45.5 -37.7 -7.1 -80.2 90 90 A L H X S+ 0 0 27 -4,-2.7 4,-2.8 1,-0.2 -11,-0.2 0.858 108.2 54.9 -63.8 -39.8 -36.1 -5.2 -77.3 91 91 A F H X S+ 0 0 35 -4,-2.2 4,-3.2 -5,-0.3 5,-0.3 0.951 106.2 49.9 -59.2 -52.2 -39.1 -6.1 -75.2 92 92 A N H X S+ 0 0 84 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.873 112.6 48.5 -56.0 -42.6 -38.8 -9.8 -75.8 93 93 A V H X S+ 0 0 39 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.974 115.9 42.4 -57.5 -56.7 -35.1 -9.6 -74.8 94 94 A N H X S+ 0 0 13 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.890 114.9 49.1 -62.2 -40.8 -35.7 -7.6 -71.6 95 95 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.872 112.0 49.5 -65.1 -37.7 -38.7 -9.7 -70.6 96 96 A G H X S+ 0 0 29 -4,-1.7 4,-2.5 -5,-0.3 -2,-0.2 0.916 110.9 50.6 -65.4 -45.6 -36.7 -12.9 -71.2 97 97 A I H X S+ 0 0 49 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.958 112.9 44.6 -54.9 -55.1 -33.8 -11.5 -69.1 98 98 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.917 111.6 52.7 -57.3 -48.3 -36.1 -10.6 -66.2 99 99 A K H X S+ 0 0 85 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.934 114.5 43.7 -55.2 -48.0 -37.9 -13.9 -66.3 100 100 A N H X S+ 0 0 81 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.932 115.1 45.9 -59.6 -52.4 -34.6 -15.7 -66.1 101 101 A L H X S+ 0 0 6 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.882 112.5 51.1 -66.9 -37.6 -33.0 -13.6 -63.4 102 102 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.891 106.1 54.6 -67.0 -40.3 -36.1 -13.7 -61.2 103 103 A Q H X S+ 0 0 95 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.955 109.0 49.4 -55.9 -45.9 -36.3 -17.5 -61.5 104 104 A Q H X S+ 0 0 22 -4,-2.1 4,-1.9 1,-0.2 5,-0.3 0.911 111.2 49.4 -57.8 -43.0 -32.6 -17.5 -60.2 105 105 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.905 107.6 53.9 -59.5 -45.6 -33.6 -15.2 -57.3 106 106 A A H < S+ 0 0 7 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.836 111.5 46.6 -61.5 -33.3 -36.6 -17.4 -56.4 107 107 A K H < S+ 0 0 154 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.886 126.4 22.2 -73.4 -42.7 -34.3 -20.4 -56.1 108 108 A T H < S+ 0 0 34 -4,-1.9 -39,-0.4 -5,-0.2 -3,-0.2 0.818 137.2 13.8-103.2 -38.9 -31.5 -18.9 -54.1 109 109 A C >< + 0 0 9 -4,-2.3 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