==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-JAN-01 1HYE . COMPND 2 MOLECULE: L-LACTATE/MALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR B.I.LEE,C.CHANG,S.-J.CHO,S.W.SUH . 307 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 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 . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 0 0 0 0 0 2 1 1 0 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 . 2 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 39 0, 0.0 26,-2.4 0, 0.0 27,-1.7 0.000 360.0 360.0 360.0 147.4 18.9 10.9 28.5 2 2 A K E -a 28 0A 31 72,-0.2 74,-2.8 25,-0.2 75,-1.1 -0.976 360.0-178.9-121.1 123.0 19.6 14.6 28.6 3 3 A V E -ab 29 77A 0 25,-2.4 27,-2.9 -2,-0.5 2,-0.4 -0.968 11.2-161.3-125.2 137.2 17.2 17.0 26.9 4 4 A T E -ab 30 78A 0 73,-2.1 75,-3.4 -2,-0.4 2,-0.5 -0.946 3.2-163.0-115.1 135.1 17.4 20.8 26.6 5 5 A I E > -ab 31 79A 0 25,-2.8 27,-2.4 -2,-0.4 3,-0.8 -0.960 1.5-164.1-119.0 112.3 14.3 22.9 25.7 6 6 A I E 3 S+ab 32 80A 0 73,-3.0 75,-2.9 -2,-0.5 76,-1.0 -0.868 84.4 32.9 -96.4 112.7 15.0 26.4 24.6 7 7 A G T > S+ 0 0 7 25,-2.3 3,-1.6 -2,-0.8 6,-0.4 0.540 72.3 144.4 114.2 19.6 11.7 28.2 24.7 8 8 A A T < + 0 0 0 24,-1.2 25,-0.1 -3,-0.8 9,-0.1 0.660 62.3 67.9 -62.3 -19.6 10.4 26.3 27.7 9 9 A S T 3 S+ 0 0 36 23,-0.4 -1,-0.3 4,-0.1 24,-0.1 0.653 90.0 83.0 -77.2 -13.4 8.6 29.4 29.1 10 10 A G S <> S- 0 0 31 -3,-1.6 4,-2.7 1,-0.1 5,-0.3 -0.235 96.1 -96.0 -84.9 176.0 6.2 29.3 26.1 11 11 A R H > S+ 0 0 226 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.936 121.7 33.8 -58.9 -55.1 3.0 27.3 25.6 12 12 A V H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.863 118.7 54.5 -72.9 -32.5 4.4 24.4 23.6 13 13 A G H > S+ 0 0 0 -6,-0.4 4,-2.0 1,-0.2 -5,-0.2 0.916 110.5 44.6 -66.0 -43.0 7.7 24.5 25.5 14 14 A S H X S+ 0 0 26 -4,-2.7 4,-1.9 -7,-0.3 -1,-0.2 0.880 113.5 50.0 -69.3 -37.1 6.1 24.2 28.9 15 15 A A H X S+ 0 0 44 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.925 111.5 48.8 -67.2 -43.6 3.7 21.5 27.8 16 16 A T H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.904 108.1 55.2 -61.2 -41.3 6.5 19.5 26.3 17 17 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.932 106.7 50.3 -57.8 -47.7 8.6 19.9 29.5 18 18 A L H X S+ 0 0 45 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.910 113.7 44.8 -57.9 -46.4 5.8 18.4 31.6 19 19 A L H >< S+ 0 0 59 -4,-1.9 3,-0.8 1,-0.2 4,-0.3 0.926 113.1 49.1 -66.0 -47.1 5.4 15.4 29.3 20 20 A L H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.2 6,-0.2 0.857 102.1 62.9 -61.6 -37.0 9.2 14.7 29.0 21 21 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.793 99.1 56.2 -59.3 -29.4 9.7 14.9 32.8 22 22 A K T << S+ 0 0 124 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.518 83.3 108.6 -81.2 -8.2 7.4 11.9 33.3 23 23 A E X - 0 0 29 -3,-1.7 3,-1.5 -4,-0.3 -3,-0.0 -0.537 68.8-137.9 -75.4 135.3 9.5 9.6 30.9 24 24 A P T 3 S+ 0 0 119 0, 0.0 34,-0.2 0, 0.0 -1,-0.1 0.798 103.1 55.1 -59.8 -32.1 11.5 6.8 32.6 25 25 A F T 3 S+ 0 0 40 2,-0.0 2,-0.5 34,-0.0 -3,-0.0 0.527 83.3 108.9 -81.5 -5.5 14.5 7.5 30.3 26 26 A M < + 0 0 5 -3,-1.5 32,-0.2 -6,-0.2 -24,-0.1 -0.619 29.3 152.6 -79.1 120.8 14.7 11.1 31.3 27 27 A K + 0 0 86 -26,-2.4 33,-3.4 -2,-0.5 2,-0.5 0.785 66.9 22.8-108.7 -61.1 17.6 12.0 33.5 28 28 A D E -ac 2 60A 29 -27,-1.7 -25,-2.4 31,-0.2 2,-0.5 -0.966 61.9-174.9-117.9 122.8 18.5 15.6 33.0 29 29 A L E -ac 3 61A 0 31,-2.7 33,-2.8 -2,-0.5 2,-0.5 -0.967 8.5-162.5-119.9 114.7 16.0 18.1 31.7 30 30 A V E -ac 4 62A 0 -27,-2.9 -25,-2.8 -2,-0.5 2,-0.6 -0.868 2.0-162.0-103.0 126.4 17.3 21.7 31.0 31 31 A L E -ac 5 63A 0 31,-2.7 33,-2.3 -2,-0.5 2,-0.4 -0.928 11.4-171.8-110.8 113.6 14.8 24.6 30.7 32 32 A I E +ac 6 64A 0 -27,-2.4 -25,-2.3 -2,-0.6 -24,-1.2 -0.854 14.9 148.7-109.1 139.2 16.2 27.7 28.9 33 33 A G E - c 0 65A 3 31,-1.4 33,-1.1 -2,-0.4 5,-0.1 -0.950 49.3 -77.1-156.1 169.7 14.6 31.1 28.6 34 34 A R > - 0 0 154 -2,-0.3 3,-2.5 31,-0.2 4,-0.4 -0.298 55.0 -97.3 -69.8 160.7 15.5 34.7 28.4 35 35 A E G > S+ 0 0 117 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.824 122.8 57.0 -47.3 -40.8 16.5 36.5 31.6 36 36 A H G 3 S+ 0 0 128 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.554 102.5 58.5 -73.2 -4.4 13.0 38.0 32.2 37 37 A S G <> S+ 0 0 17 -3,-2.5 4,-2.4 1,-0.1 -1,-0.2 0.475 72.9 97.2-102.4 -4.6 11.5 34.5 32.1 38 38 A I H <> S+ 0 0 31 -3,-1.2 4,-2.1 -4,-0.4 5,-0.2 0.880 83.3 51.1 -54.0 -43.8 13.5 32.9 35.0 39 39 A N H > S+ 0 0 140 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.927 111.7 47.7 -61.3 -42.8 10.7 33.4 37.6 40 40 A K H > S+ 0 0 104 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.892 112.3 50.0 -64.3 -39.4 8.2 31.8 35.3 41 41 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.813 107.6 52.8 -69.7 -32.1 10.5 28.9 34.7 42 42 A E H X S+ 0 0 84 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.865 109.6 50.4 -69.4 -36.2 11.1 28.4 38.4 43 43 A G H X S+ 0 0 19 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.853 109.5 50.3 -68.5 -35.2 7.4 28.3 38.7 44 44 A L H X S+ 0 0 14 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.889 108.1 53.2 -69.1 -39.7 7.2 25.7 36.0 45 45 A R H X S+ 0 0 66 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.879 107.9 49.9 -64.4 -37.4 9.9 23.6 37.7 46 46 A E H X S+ 0 0 116 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.909 109.6 52.0 -66.5 -40.4 7.9 23.5 40.9 47 47 A D H X S+ 0 0 85 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.885 110.7 48.1 -61.2 -40.4 4.8 22.5 39.0 48 48 A I H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.908 109.7 51.5 -68.2 -41.5 6.8 19.6 37.4 49 49 A Y H X S+ 0 0 99 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.845 109.6 50.8 -64.7 -32.9 8.2 18.5 40.8 50 50 A D H >< S+ 0 0 117 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.919 109.3 50.2 -68.9 -43.2 4.7 18.5 42.2 51 51 A A H 3< S+ 0 0 49 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.816 112.3 48.0 -64.0 -30.9 3.5 16.3 39.3 52 52 A L H >< S+ 0 0 17 -4,-1.8 3,-1.6 -5,-0.1 5,-0.4 0.541 85.2 116.6 -85.8 -10.1 6.4 13.9 39.9 53 53 A A T << S+ 0 0 71 -3,-0.8 3,-0.1 -4,-0.6 -3,-0.0 -0.364 75.2 26.0 -61.7 134.7 5.8 13.7 43.6 54 54 A G T 3 S+ 0 0 89 1,-0.5 -1,-0.2 3,-0.1 2,-0.1 0.015 103.1 96.0 101.5 -29.2 4.8 10.2 44.7 55 55 A T S < S- 0 0 88 -3,-1.6 -1,-0.5 1,-0.1 -3,-0.0 -0.428 82.0-120.6 -88.5 169.0 6.7 8.5 41.8 56 56 A R + 0 0 236 -2,-0.1 2,-0.1 -3,-0.1 -3,-0.1 -0.004 58.5 148.2-100.0 29.0 10.2 7.1 42.1 57 57 A S - 0 0 53 -5,-0.4 -3,-0.1 1,-0.1 -30,-0.1 -0.380 32.4-168.1 -65.7 137.5 11.5 9.4 39.3 58 58 A D + 0 0 115 -32,-0.2 2,-0.3 -34,-0.2 -1,-0.1 -0.188 37.7 137.4-119.9 39.3 15.2 10.5 39.7 59 59 A A - 0 0 10 -38,-0.1 2,-0.4 -31,-0.1 -31,-0.2 -0.652 44.9-141.2 -88.1 141.5 15.2 13.2 37.0 60 60 A N E -c 28 0A 65 -33,-3.4 -31,-2.7 -2,-0.3 2,-0.5 -0.882 10.1-155.2-105.3 134.5 16.9 16.5 37.6 61 61 A I E -c 29 0A 3 -2,-0.4 2,-0.4 -33,-0.2 -31,-0.2 -0.938 10.3-167.7-111.9 125.4 15.3 19.7 36.4 62 62 A Y E -c 30 0A 81 -33,-2.8 -31,-2.7 -2,-0.5 2,-0.4 -0.882 8.4-160.6-114.7 145.4 17.5 22.7 35.7 63 63 A V E +c 31 0A 16 -2,-0.4 2,-0.3 -33,-0.2 -31,-0.2 -0.990 24.3 155.2-124.2 124.9 16.4 26.3 35.0 64 64 A E E -c 32 0A 85 -33,-2.3 -31,-1.4 -2,-0.4 2,-0.1 -0.991 38.5-115.5-148.6 152.8 18.9 28.7 33.3 65 65 A S E > -c 33 0A 19 -2,-0.3 3,-0.5 -33,-0.2 -31,-0.2 -0.353 34.1-111.4 -81.2 169.9 18.9 31.9 31.2 66 66 A D T 3 S+ 0 0 19 -33,-1.1 3,-0.2 1,-0.2 -32,-0.1 0.236 96.0 92.8 -88.4 15.4 20.1 31.9 27.6 67 67 A E T 3 S+ 0 0 126 1,-0.3 2,-0.5 2,-0.0 -1,-0.2 0.894 96.1 26.2 -73.3 -39.6 23.2 34.0 28.4 68 68 A N X - 0 0 94 -3,-0.5 3,-0.6 1,-0.1 -1,-0.3 -0.947 62.8-175.3-128.8 108.5 25.5 31.1 29.0 69 69 A L G > + 0 0 11 -2,-0.5 3,-2.0 -3,-0.2 4,-0.3 0.183 53.0 113.0 -89.6 17.8 24.6 27.8 27.2 70 70 A R G > + 0 0 135 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.876 69.1 67.6 -54.1 -36.4 27.4 25.8 28.9 71 71 A I G < S+ 0 0 40 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.690 88.1 64.7 -58.8 -21.8 24.6 23.9 30.7 72 72 A I G X S+ 0 0 0 -3,-2.0 3,-1.8 2,-0.1 -1,-0.3 0.554 72.8 127.5 -82.5 -5.7 23.4 22.3 27.4 73 73 A D T < S+ 0 0 52 -3,-1.9 3,-0.1 -4,-0.3 41,-0.1 -0.188 74.9 14.3 -52.8 139.4 26.7 20.4 26.9 74 74 A E T 3 S+ 0 0 154 1,-0.2 -1,-0.3 41,-0.2 -72,-0.2 0.595 85.9 155.9 70.4 11.7 26.2 16.6 26.3 75 75 A S < - 0 0 6 -3,-1.8 42,-0.2 1,-0.2 -1,-0.2 -0.471 40.5-147.9 -67.9 142.6 22.5 17.0 25.6 76 76 A D S S+ 0 0 74 -74,-2.8 41,-0.5 1,-0.3 2,-0.3 0.809 83.3 4.1 -79.0 -31.4 21.2 14.2 23.5 77 77 A V E -bd 3 117A 1 -75,-1.1 -73,-2.1 39,-0.1 2,-0.5 -0.980 61.9-153.3-155.5 140.7 18.7 16.5 21.8 78 78 A V E -bd 4 118A 0 39,-2.7 41,-2.7 -2,-0.3 2,-0.5 -0.980 14.9-155.8-117.7 118.2 18.0 20.2 22.1 79 79 A I E -bd 5 119A 0 -75,-3.4 -73,-3.0 -2,-0.5 2,-0.6 -0.845 3.6-157.9 -97.6 127.9 14.4 21.3 21.3 80 80 A I E +bd 6 120A 0 39,-2.6 41,-2.8 -2,-0.5 42,-1.1 -0.933 30.7 150.3-109.7 115.6 13.9 24.8 20.1 81 81 A T + 0 0 17 -75,-2.9 2,-0.2 -2,-0.6 -74,-0.2 0.217 34.6 122.5-122.7 6.4 10.4 26.2 20.5 82 82 A S + 0 0 17 -76,-1.0 2,-0.2 40,-0.1 40,-0.1 -0.525 38.8 94.2 -72.7 138.3 11.4 29.9 20.9 83 83 A G S S- 0 0 36 -2,-0.2 16,-0.1 19,-0.1 17,-0.0 -0.785 76.4 -77.9 155.1 160.8 9.8 32.2 18.4 84 84 A V - 0 0 60 -2,-0.2 3,-0.2 11,-0.2 15,-0.1 -0.747 51.0-133.1 -86.5 125.7 7.0 34.6 17.7 85 85 A P - 0 0 72 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.108 52.9 -43.7 -71.0 173.9 3.8 32.7 16.9 86 86 A R - 0 0 154 1,-0.1 2,-0.1 2,-0.1 6,-0.0 -0.130 67.8-135.9 -41.9 99.0 1.4 33.4 14.0 87 87 A K > - 0 0 63 -3,-0.2 3,-0.7 -2,-0.2 -1,-0.1 -0.397 3.6-135.7 -64.0 134.7 1.1 37.2 14.1 88 88 A E T 3 S+ 0 0 187 1,-0.3 2,-0.2 -2,-0.1 -1,-0.1 0.849 99.4 28.6 -60.4 -36.0 -2.5 38.4 13.7 89 89 A G T 3 S+ 0 0 54 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 -0.558 101.4 85.3-130.5 73.2 -1.3 41.1 11.3 90 90 A M < - 0 0 109 -3,-0.7 2,-0.1 -2,-0.2 -3,-0.0 -0.981 66.0-106.5-164.9 153.6 1.8 40.1 9.4 91 91 A S > - 0 0 57 -2,-0.3 4,-1.6 1,-0.1 -4,-0.1 -0.309 32.3-114.4 -79.6 165.0 3.2 38.3 6.3 92 92 A R H > S+ 0 0 80 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.790 115.5 57.6 -69.7 -28.7 4.9 35.0 6.3 93 93 A M H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.888 106.6 47.8 -69.4 -39.0 8.2 36.6 5.1 94 94 A D H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.882 113.8 48.4 -67.3 -37.3 8.2 38.9 8.1 95 95 A L H X S+ 0 0 22 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.931 111.8 50.0 -66.4 -45.6 7.6 35.9 10.3 96 96 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.938 114.2 42.6 -58.1 -51.8 10.3 34.0 8.6 97 97 A K H X S+ 0 0 75 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.898 114.2 52.0 -64.4 -41.0 12.9 36.7 8.9 98 98 A T H X S+ 0 0 58 -4,-2.2 4,-0.8 -5,-0.2 3,-0.2 0.942 117.2 36.5 -61.4 -50.8 11.9 37.5 12.5 99 99 A N H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.757 106.7 68.3 -76.3 -22.5 12.2 33.9 13.7 100 100 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.912 100.4 49.9 -60.6 -41.8 15.2 33.2 11.5 101 101 A K H X S+ 0 0 138 -4,-1.5 4,-1.2 -3,-0.2 -1,-0.2 0.839 113.4 46.0 -66.1 -33.5 17.2 35.6 13.7 102 102 A I H X S+ 0 0 51 -4,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.980 118.0 38.7 -73.4 -58.3 16.0 33.9 16.9 103 103 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.886 115.3 54.4 -60.5 -40.9 16.6 30.2 15.9 104 104 A G H X S+ 0 0 2 -4,-2.4 4,-2.1 -5,-0.4 -1,-0.2 0.882 106.0 51.3 -62.2 -40.7 19.8 31.0 14.0 105 105 A K H X S+ 0 0 104 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.2 0.909 113.0 45.6 -63.0 -43.3 21.4 32.7 17.1 106 106 A Y H X S+ 0 0 13 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.868 110.7 53.2 -68.1 -37.7 20.6 29.7 19.2 107 107 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.908 112.2 45.3 -63.5 -42.1 21.8 27.2 16.6 108 108 A K H X S+ 0 0 86 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.892 113.8 48.7 -68.5 -40.2 25.1 29.1 16.4 109 109 A K H X S+ 0 0 82 -4,-2.1 4,-0.7 1,-0.2 3,-0.3 0.863 110.1 51.8 -69.0 -36.2 25.4 29.3 20.2 110 110 A I H >X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-1.3 0.937 106.8 53.3 -64.3 -46.5 24.6 25.6 20.7 111 111 A A H 3< S+ 0 0 35 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.694 100.0 62.6 -62.1 -21.6 27.3 24.7 18.1 112 112 A E H 3< S+ 0 0 120 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.776 112.5 36.8 -75.2 -24.5 29.9 26.7 20.1 113 113 A I H << S- 0 0 34 -3,-1.3 2,-0.3 -4,-0.7 -2,-0.2 0.887 125.4 -25.9 -93.6 -48.6 29.4 24.4 23.0 114 114 A C < - 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