==== 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 02-FEB-99 1B8U . COMPND 2 MOLECULE: PROTEIN (MALATE DEHYDROGENASE); . SOURCE 2 ORGANISM_SCIENTIFIC: AQUASPIRILLUM ARCTICUM; . AUTHOR S.Y.KIM,K.Y.HWANG,S.-H.KIM,Y.S.HAN,Y.CHO . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 1 2 0 0 1 1 1 0 0 0 2 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 0 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 PARALLEL BRIDGES PER LADDER . 2 2 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 1 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 3 A K 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.3 15.9 9.3 57.5 2 4 A T - 0 0 120 1,-0.1 2,-0.2 31,-0.1 0, 0.0 -0.172 360.0-129.0 -43.0 112.4 14.7 12.1 55.2 3 5 A P - 0 0 48 0, 0.0 32,-0.3 0, 0.0 2,-0.2 -0.498 16.7-131.8 -70.3 141.0 15.8 11.0 51.7 4 6 A M E -a 35 0A 37 30,-1.8 32,-2.5 -2,-0.2 2,-0.7 -0.633 16.5-121.8 -90.0 153.9 17.7 13.5 49.7 5 7 A R E -a 36 0A 93 76,-0.3 78,-2.2 -2,-0.2 79,-1.5 -0.867 26.9-167.0-101.9 109.4 16.7 14.3 46.1 6 8 A V E -ab 37 84A 0 30,-2.4 32,-2.2 -2,-0.7 2,-0.5 -0.872 2.5-163.6-100.0 110.1 19.6 13.6 43.7 7 9 A A E -ab 38 85A 1 77,-2.5 79,-2.5 -2,-0.7 2,-0.4 -0.802 10.3-171.6 -91.4 129.5 19.2 14.9 40.2 8 10 A V E -ab 39 86A 0 30,-1.6 32,-2.3 -2,-0.5 3,-0.5 -0.994 9.3-145.9-130.0 130.4 21.6 13.4 37.7 9 11 A T E S+a 40 0A 5 77,-2.6 79,-0.2 -2,-0.4 32,-0.2 -0.518 77.7 22.8 -89.9 155.6 22.1 14.5 34.1 10 12 A G S > S+ 0 0 12 30,-1.3 3,-3.5 78,-0.2 6,-0.3 0.697 73.2 166.8 60.1 24.9 22.9 12.4 31.0 11 13 A A T 3 + 0 0 0 29,-1.3 30,-0.1 -3,-0.5 9,-0.1 0.661 66.8 56.8 -43.3 -30.9 21.4 9.5 32.9 12 14 A A T 3 S+ 0 0 25 28,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.531 95.0 91.2 -84.2 -3.0 21.3 7.2 29.8 13 15 A G S <> S- 0 0 28 -3,-3.5 4,-1.6 -4,-0.1 76,-0.0 -0.087 90.0 -93.7 -83.2-177.7 25.1 7.6 29.2 14 16 A Q H > S+ 0 0 139 2,-0.2 4,-1.1 1,-0.2 5,-0.2 0.925 117.1 50.1 -64.6 -54.2 28.2 5.6 30.2 15 17 A I H >> S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 3,-0.8 0.928 113.4 49.2 -50.7 -48.0 29.3 7.5 33.3 16 18 A C H 3> S+ 0 0 0 -6,-0.3 4,-3.2 1,-0.2 5,-0.4 0.862 99.0 64.4 -62.4 -36.0 25.8 7.3 34.7 17 19 A Y H 3< S+ 0 0 95 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.818 116.5 31.5 -58.8 -28.8 25.5 3.5 34.0 18 20 A S H << S+ 0 0 39 -4,-1.1 4,-0.4 -3,-0.8 -1,-0.2 0.747 123.6 50.0 -93.8 -35.0 28.3 3.1 36.5 19 21 A L H >X S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.2 3,-0.9 0.936 102.0 56.7 -70.6 -52.5 27.3 6.1 38.7 20 22 A L H 3X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.767 103.2 51.4 -53.7 -40.6 23.6 5.5 39.2 21 23 A F H 3> S+ 0 0 34 -5,-0.4 4,-1.0 -4,-0.3 -1,-0.2 0.685 111.3 48.3 -72.9 -23.7 23.7 2.0 40.8 22 24 A R H <4>S+ 0 0 78 -3,-0.9 5,-2.8 -4,-0.4 6,-0.5 0.666 109.8 52.2 -88.2 -23.8 26.3 3.1 43.4 23 25 A I H ><5S+ 0 0 2 -4,-1.2 3,-1.5 3,-0.2 5,-0.3 0.951 113.2 43.9 -73.1 -50.3 24.3 6.2 44.3 24 26 A A H 3<5S+ 0 0 1 -4,-2.1 41,-0.4 1,-0.3 -2,-0.2 0.826 109.5 57.7 -59.4 -34.8 21.2 4.0 44.8 25 27 A N T 3<5S- 0 0 67 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.591 121.4-110.2 -71.7 -14.6 23.4 1.5 46.7 26 28 A G T <>5S+ 0 0 5 -3,-1.5 4,-1.1 -4,-0.3 -3,-0.2 0.636 78.5 130.1 95.5 11.5 24.3 4.4 49.1 27 29 A D T 4< - 0 0 12 -4,-1.1 3,-0.9 1,-0.1 -1,-0.3 -0.140 39.2 -91.8 105.2 154.5 26.0 7.1 53.3 31 33 A K T 3 S+ 0 0 129 1,-0.2 -1,-0.1 -4,-0.1 -4,-0.1 0.609 120.8 54.3 -78.1 -15.6 24.3 3.8 53.9 32 34 A D T 3 S+ 0 0 96 -3,-0.1 -1,-0.2 -6,-0.1 -2,-0.1 0.208 90.4 92.3-100.7 12.4 21.6 5.2 56.2 33 35 A Q < - 0 0 22 -3,-0.9 -4,-0.2 -7,-0.1 -31,-0.1 -0.893 64.5-150.8-115.7 106.9 20.5 7.8 53.7 34 36 A P - 0 0 27 0, 0.0 -30,-1.8 0, 0.0 2,-0.4 -0.370 17.4-149.8 -68.9 155.1 17.7 7.1 51.3 35 37 A V E -ac 4 66A 4 30,-2.4 32,-1.3 -32,-0.3 33,-0.9 -0.973 17.8-153.2-134.0 147.0 17.7 8.8 47.9 36 38 A I E -ac 5 68A 24 -32,-2.5 -30,-2.4 -2,-0.4 2,-0.4 -0.956 22.4-152.5-113.6 111.4 15.3 10.0 45.3 37 39 A L E -ac 6 69A 0 31,-2.3 33,-1.9 -2,-0.6 2,-0.5 -0.725 10.7-170.7 -87.2 137.0 16.9 10.0 41.9 38 40 A Q E -ac 7 70A 5 -32,-2.2 -30,-1.6 -2,-0.4 2,-0.3 -0.907 18.1-156.9-127.9 95.5 15.5 12.5 39.3 39 41 A L E -ac 8 71A 0 31,-2.9 33,-2.8 -2,-0.5 2,-0.4 -0.633 9.2-164.5 -84.9 138.0 17.1 11.6 36.0 40 42 A L E +ac 9 72A 7 -32,-2.3 -30,-1.3 -2,-0.3 -29,-1.3 -0.959 16.3 157.0-126.3 129.3 17.6 13.9 33.0 41 43 A E - 0 0 29 31,-1.2 7,-0.1 -2,-0.4 6,-0.0 -0.867 53.3 -76.6-136.1 167.9 18.3 13.0 29.4 42 44 A I - 0 0 93 -2,-0.3 6,-0.1 1,-0.1 32,-0.1 -0.309 50.2-109.3 -64.4 154.9 17.8 14.8 26.1 43 45 A P S S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 0.511 78.3 122.7 -67.0 -2.4 14.1 14.7 25.0 44 46 A N > - 0 0 97 1,-0.1 4,-2.6 29,-0.1 3,-0.4 -0.289 68.6-126.6 -62.7 144.2 14.8 12.3 22.1 45 47 A E H > S+ 0 0 149 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.831 108.7 52.1 -59.7 -38.8 12.9 9.0 22.0 46 48 A K H > S+ 0 0 162 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.835 113.4 45.5 -68.2 -31.0 16.1 6.9 21.7 47 49 A A H > S+ 0 0 15 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.921 116.1 43.8 -74.8 -50.6 17.6 8.7 24.7 48 50 A Q H X S+ 0 0 38 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.847 112.0 54.1 -64.4 -35.9 14.6 8.5 26.9 49 51 A K H X S+ 0 0 107 -4,-2.2 4,-2.0 -5,-0.3 3,-0.3 0.933 110.8 45.8 -61.4 -50.6 13.9 4.9 25.9 50 52 A A H X S+ 0 0 46 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.904 110.3 54.4 -58.9 -40.8 17.4 4.0 26.9 51 53 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.760 106.0 53.9 -64.3 -25.5 16.8 6.0 30.1 52 54 A Q H X S+ 0 0 97 -4,-1.3 4,-1.9 -3,-0.3 -1,-0.2 0.933 107.5 48.9 -73.3 -46.9 13.7 3.8 30.6 53 55 A G H X S+ 0 0 21 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.860 108.7 52.8 -59.7 -40.5 15.8 0.6 30.4 54 56 A V H X S+ 0 0 11 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.892 109.0 50.0 -64.0 -40.1 18.4 1.9 32.9 55 57 A M H X S+ 0 0 19 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.864 107.7 53.9 -64.5 -38.2 15.6 2.7 35.3 56 58 A M H X S+ 0 0 105 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.839 110.7 47.9 -62.5 -36.1 14.2 -0.9 34.8 57 59 A E H < S+ 0 0 80 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.863 106.3 54.8 -72.0 -40.9 17.7 -2.1 35.7 58 60 A I H ><>S+ 0 0 1 -4,-2.2 3,-1.0 1,-0.2 5,-0.6 0.870 110.6 47.5 -61.2 -37.7 18.1 0.0 38.8 59 61 A D H ><5S+ 0 0 98 -4,-1.8 3,-2.2 1,-0.2 -1,-0.2 0.856 100.7 66.0 -67.7 -40.0 14.8 -1.5 40.0 60 62 A D T 3<5S+ 0 0 134 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.450 94.8 60.7 -62.1 -0.8 16.0 -5.0 39.2 61 63 A C T < 5S- 0 0 60 -3,-1.0 -1,-0.3 -4,-0.1 -2,-0.2 0.465 98.4-137.4-103.0 -7.4 18.7 -4.6 41.9 62 64 A A T < 5 - 0 0 82 -3,-2.2 -3,-0.1 1,-0.2 -2,-0.1 0.883 25.2-168.1 50.4 49.1 16.2 -4.1 44.7 63 65 A F > < - 0 0 34 -5,-0.6 3,-0.8 1,-0.2 -1,-0.2 -0.533 13.4-156.0 -69.9 114.5 18.1 -1.2 46.3 64 66 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.2 0, 0.0 -39,-0.1 0.671 90.7 56.5 -66.0 -17.9 16.6 -0.6 49.8 65 67 A L T 3 S+ 0 0 24 -41,-0.4 -30,-2.4 -31,-0.1 2,-1.5 0.684 78.4 99.7 -86.2 -20.4 17.8 3.0 49.9 66 68 A L E < +c 35 0A 30 -3,-0.8 -30,-0.2 -32,-0.2 3,-0.1 -0.502 43.7 173.4 -71.3 91.1 16.2 4.0 46.6 67 69 A A E - 0 0 62 -2,-1.5 2,-0.3 -32,-1.3 -31,-0.2 0.452 65.4 -15.4 -79.8 3.1 13.1 5.9 47.9 68 70 A G E -c 36 0A 25 -33,-0.9 -31,-2.3 2,-0.0 2,-0.2 -0.875 53.0-162.2 168.7 160.0 12.1 7.0 44.4 69 71 A M E +c 37 0A 29 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.2 -0.799 11.2 176.4-166.7 119.7 13.2 7.5 40.8 70 72 A T E -c 38 0A 65 -33,-1.9 -31,-2.9 -2,-0.2 2,-0.4 -0.905 21.7-135.2-129.5 149.1 11.8 9.5 37.9 71 73 A A E -c 39 0A 37 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.2 -0.866 26.1-174.9-104.3 140.8 12.8 10.2 34.3 72 74 A H E -c 40 0A 31 -33,-2.8 -31,-1.2 -2,-0.4 -34,-0.0 -0.816 31.3-170.6-130.0 168.1 12.7 13.7 32.9 73 75 A A S S+ 0 0 47 -2,-0.3 -33,-0.1 -33,-0.2 3,-0.1 0.265 80.0 67.7-133.5 -6.9 13.3 15.5 29.6 74 76 A D > - 0 0 79 1,-0.1 4,-2.3 -32,-0.1 3,-0.5 -0.963 66.7-152.2-122.7 129.3 13.1 19.0 31.1 75 77 A P H > S+ 0 0 21 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.840 97.6 67.2 -66.0 -32.7 15.8 20.3 33.5 76 78 A M H 4 S+ 0 0 72 1,-0.2 4,-0.1 2,-0.2 37,-0.0 0.761 112.1 30.7 -57.0 -34.0 13.0 22.5 34.9 77 79 A T H >4 S+ 0 0 68 -3,-0.5 3,-1.0 2,-0.1 -1,-0.2 0.785 116.2 57.2 -94.0 -37.1 11.3 19.4 36.3 78 80 A A H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -70,-0.1 0.744 107.4 50.3 -65.9 -24.6 14.4 17.2 36.8 79 81 A F T >< S+ 0 0 1 -4,-2.2 3,-2.1 -5,-0.1 -1,-0.2 0.530 77.1 135.5 -90.5 -6.3 15.8 19.8 39.2 80 82 A K T < S- 0 0 103 -3,-1.0 41,-0.2 1,-0.3 42,-0.1 -0.179 87.0 -17.5 -49.9 119.6 12.7 20.3 41.3 81 83 A D T 3 S+ 0 0 84 39,-2.4 -76,-0.3 1,-0.2 2,-0.3 0.754 90.6 171.6 51.0 34.0 13.7 20.3 45.0 82 84 A A < - 0 0 0 -3,-2.1 40,-2.1 1,-0.2 -1,-0.2 -0.555 25.9-172.2 -75.9 130.0 17.1 18.8 44.3 83 85 A D S S+ 0 0 53 -78,-2.2 43,-2.6 -2,-0.3 2,-0.3 0.742 79.8 21.9 -88.3 -30.4 19.6 18.7 47.2 84 86 A V E -bd 6 126A 0 -79,-1.5 -77,-2.5 41,-0.2 2,-0.4 -0.991 67.3-165.1-137.8 143.0 22.4 17.5 45.0 85 87 A A E -bd 7 127A 0 41,-2.6 43,-1.8 -2,-0.3 2,-0.7 -0.973 5.0-165.8-134.8 119.6 22.9 17.8 41.2 86 88 A L E -bd 8 128A 0 -79,-2.5 -77,-2.6 -2,-0.4 2,-1.2 -0.928 9.4-160.4-103.6 110.7 25.4 15.8 39.2 87 89 A L E + d 0 129A 0 41,-3.1 43,-2.5 -2,-0.7 44,-2.3 -0.764 34.0 146.2 -94.3 87.4 25.7 17.5 35.8 88 90 A V + 0 0 17 -2,-1.2 2,-0.2 42,-0.3 44,-0.2 0.737 42.3 91.2 -92.3 -29.6 27.2 14.6 33.8 89 91 A G + 0 0 17 -3,-0.3 2,-0.3 42,-0.1 42,-0.1 -0.482 48.9 149.6 -74.7 135.3 25.5 15.3 30.5 90 92 A A - 0 0 36 -2,-0.2 42,-0.1 -80,-0.1 16,-0.1 -0.976 51.1 -89.1-159.2 158.0 27.3 17.5 28.0 91 93 A R - 0 0 130 -2,-0.3 15,-0.1 11,-0.1 2,-0.1 -0.631 42.5-131.7 -77.3 121.8 27.6 18.0 24.3 92 94 A P - 0 0 90 0, 0.0 2,-1.3 0, 0.0 -1,-0.0 -0.483 23.1-110.2 -73.4 146.5 30.4 15.9 22.8 93 95 A R - 0 0 140 -2,-0.1 3,-0.1 4,-0.0 9,-0.1 -0.688 49.7-169.5 -77.8 92.3 32.9 17.6 20.5 94 96 A G > - 0 0 24 -2,-1.3 3,-1.8 1,-0.2 2,-0.2 -0.049 35.9 -48.5 -76.3-175.4 31.8 15.9 17.3 95 97 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.381 128.9 12.3 -59.4 123.2 33.4 15.9 13.8 96 98 A G T 3 S+ 0 0 76 1,-0.2 2,-0.8 -2,-0.2 5,-0.1 0.250 90.0 141.0 91.6 -10.8 34.3 19.4 12.6 97 99 A M < - 0 0 32 -3,-1.8 -1,-0.2 4,-0.1 2,-0.0 -0.541 37.3-158.3 -72.9 104.0 33.7 20.8 16.1 98 100 A E >> - 0 0 114 -2,-0.8 4,-1.9 -3,-0.1 3,-1.1 -0.307 39.0 -96.5 -72.3 164.8 36.4 23.4 16.7 99 101 A R H 3> S+ 0 0 75 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.850 129.6 53.7 -51.1 -35.8 37.2 24.3 20.4 100 102 A K H 3> S+ 0 0 141 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.788 102.9 53.8 -71.1 -31.5 34.8 27.2 19.8 101 103 A D H <> S+ 0 0 73 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.840 110.3 50.0 -71.1 -31.5 32.0 25.0 18.6 102 104 A L H X S+ 0 0 25 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.988 111.3 44.7 -68.6 -60.1 32.3 22.9 21.8 103 105 A L H X S+ 0 0 12 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.816 114.8 50.3 -52.0 -39.6 32.3 25.8 24.3 104 106 A E H X S+ 0 0 66 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.900 113.4 44.9 -67.3 -44.0 29.3 27.5 22.4 105 107 A A H X S+ 0 0 26 -4,-1.8 4,-0.6 1,-0.2 -2,-0.2 0.938 118.4 41.8 -63.9 -52.9 27.3 24.2 22.4 106 108 A N H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.705 108.1 61.0 -69.0 -24.7 28.0 23.4 26.0 107 109 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 -5,-0.3 5,-0.3 0.941 103.3 50.7 -66.7 -42.8 27.5 26.9 27.1 108 110 A Q H X S+ 0 0 102 -4,-1.5 4,-0.7 1,-0.2 -1,-0.2 0.700 109.8 51.0 -71.9 -19.5 24.0 26.8 25.9 109 111 A I H X S+ 0 0 42 -4,-0.6 4,-2.0 2,-0.1 -1,-0.2 0.892 113.8 44.2 -79.8 -44.4 23.4 23.5 27.9 110 112 A F H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.690 108.2 52.9 -78.4 -19.8 24.7 25.0 31.1 111 113 A T H X S+ 0 0 17 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.913 114.9 45.0 -75.8 -43.2 23.1 28.4 31.1 112 114 A V H X S+ 0 0 70 -4,-0.7 4,-1.4 -5,-0.3 -2,-0.2 0.911 118.0 41.9 -62.0 -50.0 19.7 26.7 30.6 113 115 A Q H X S+ 0 0 20 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.809 114.2 53.9 -68.5 -33.3 20.5 24.0 33.3 114 116 A G H X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.812 108.2 48.0 -70.1 -34.0 22.0 26.7 35.5 115 117 A K H X S+ 0 0 118 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.786 111.3 51.5 -75.6 -30.1 18.8 28.9 35.3 116 118 A A H X>S+ 0 0 3 -4,-1.4 4,-3.0 2,-0.2 5,-0.6 0.891 111.4 45.4 -73.1 -41.7 16.6 25.8 36.1 117 119 A I H X5S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.929 112.2 53.7 -62.6 -46.6 18.6 24.8 39.2 118 120 A D H <5S+ 0 0 32 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.879 116.3 40.2 -51.6 -43.3 18.6 28.5 40.2 119 121 A A H <5S+ 0 0 59 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.914 132.0 10.5 -77.5 -50.7 14.8 28.4 39.9 120 122 A V H <5S+ 0 0 26 -4,-3.0 -39,-2.4 -5,-0.1 -3,-0.2 0.615 98.1 95.2-112.7 -14.5 13.5 25.1 41.3 121 123 A A S < - 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