==== 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 12-JUL-02 1M67 . COMPND 2 MOLECULE: GLYCEROL-3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR J.CHOE,S.SURESH,G.WISEDCHAISRI,K.J.KENNEDY,M.H.GELB,W.G.J.HO . 346 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 0 0.0 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 . 16 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.9 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 3 0 0 2 0 1 4 0 0 0 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 9 A K 0 0 100 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.7 69.9 45.2 20.2 2 10 A D + 0 0 171 2,-0.1 2,-0.5 173,-0.0 0, 0.0 0.146 360.0 101.2 -94.7 18.9 68.5 42.0 18.8 3 11 A E - 0 0 145 1,-0.0 172,-0.0 0, 0.0 0, 0.0 -0.909 68.8-125.5-111.6 128.8 68.0 40.5 22.4 4 12 A L - 0 0 49 -2,-0.5 2,-0.4 1,-0.1 172,-0.2 -0.123 9.8-137.5 -75.8 163.4 64.6 40.4 24.1 5 13 A L - 0 0 36 170,-3.2 2,-0.3 173,-0.2 -1,-0.1 -0.972 13.1-166.5-121.2 131.4 63.4 41.7 27.4 6 14 A Y - 0 0 140 -2,-0.4 2,-0.3 24,-0.0 24,-0.2 -0.886 11.1-163.7-114.3 149.7 61.1 39.9 29.7 7 15 A L E -a 30 0A 20 22,-2.2 24,-2.7 -2,-0.3 3,-0.1 -0.788 29.0-128.2-128.4 169.4 59.4 41.5 32.7 8 16 A N E S+ 0 0 101 -2,-0.3 24,-3.0 22,-0.2 2,-0.3 0.853 89.3 17.9 -84.5 -38.7 57.6 40.6 35.9 9 17 A K E +a 32 0A 13 68,-0.3 70,-2.5 22,-0.2 2,-0.3 -0.982 51.4 174.1-142.7 152.2 54.5 42.7 35.3 10 18 A A E -a 33 0A 0 22,-1.0 24,-2.5 -2,-0.3 2,-0.4 -0.986 11.9-160.6-148.9 140.4 52.5 44.6 32.6 11 19 A V E -ab 34 81A 0 69,-1.8 71,-1.6 -2,-0.3 2,-0.4 -0.927 2.7-160.0-121.8 149.0 49.2 46.4 32.8 12 20 A V E -ab 35 82A 0 22,-1.8 24,-2.9 -2,-0.4 2,-0.8 -0.989 5.9-154.7-130.1 120.6 47.0 47.3 29.9 13 21 A F E +ab 36 83A 0 69,-3.4 71,-3.1 -2,-0.4 72,-0.8 -0.846 69.8 57.9 -96.8 107.0 44.3 50.0 30.3 14 22 A G - 0 0 7 22,-1.2 23,-0.1 -2,-0.8 71,-0.1 -0.086 61.8-151.5 135.8 117.8 41.6 49.2 27.7 15 23 A S + 0 0 19 4,-0.1 40,-0.2 -2,-0.1 22,-0.1 0.008 54.2 120.3-107.4 31.0 39.7 46.0 27.5 16 24 A G S > S- 0 0 27 68,-0.1 4,-2.3 1,-0.1 5,-0.3 -0.077 83.1 -88.0 -85.7-172.8 38.9 45.9 23.8 17 25 A A H > S+ 0 0 34 38,-0.2 4,-2.0 1,-0.2 5,-0.1 0.892 127.4 46.9 -61.1 -39.2 39.7 43.5 21.1 18 26 A F H > S+ 0 0 35 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.914 114.6 41.6 -71.7 -47.8 43.0 45.3 20.6 19 27 A G H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.922 115.4 51.8 -68.0 -44.2 44.2 45.7 24.2 20 28 A T H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.946 111.3 47.2 -55.1 -49.4 43.1 42.1 25.0 21 29 A A H X S+ 0 0 0 -4,-2.0 4,-0.9 -5,-0.3 3,-0.5 0.877 110.6 52.7 -58.7 -39.0 45.1 40.8 22.0 22 30 A L H >X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-0.6 0.893 103.1 57.9 -67.1 -36.7 48.1 43.0 23.1 23 31 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.743 99.7 58.9 -62.1 -26.7 47.9 41.4 26.6 24 32 A M H 3X S+ 0 0 31 -4,-1.0 4,-0.5 -3,-0.5 -1,-0.2 0.821 106.9 46.8 -71.4 -31.4 48.3 38.0 24.9 25 33 A V H X< S+ 0 0 5 -4,-0.9 3,-1.2 -3,-0.6 -2,-0.2 0.951 115.2 45.3 -72.2 -48.5 51.6 39.1 23.5 26 34 A L H >X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.3 3,-3.1 0.888 102.1 66.4 -60.5 -41.1 52.6 40.5 26.9 27 35 A S H 3< S+ 0 0 11 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.783 102.9 48.9 -55.5 -22.6 51.4 37.4 28.6 28 36 A K T << S+ 0 0 100 -3,-1.2 -1,-0.3 -4,-0.5 152,-0.2 0.469 121.0 33.9 -94.0 -1.9 54.3 35.7 26.7 29 37 A K T <4 S+ 0 0 3 -3,-3.1 -22,-2.2 1,-0.2 2,-0.5 0.495 113.1 62.1-125.9 -13.8 56.8 38.3 27.7 30 38 A C E < -a 7 0A 4 -4,-3.3 -22,-0.2 -24,-0.2 -1,-0.2 -0.968 67.5-142.6-123.3 128.4 55.6 39.2 31.2 31 39 A R E S+ 0 0 200 -24,-2.7 2,-0.3 -2,-0.5 -22,-0.2 0.946 95.4 21.0 -39.5 -59.3 55.3 36.9 34.3 32 40 A E E -a 9 0A 88 -24,-3.0 -22,-1.0 -25,-0.1 2,-0.3 -0.883 65.6-177.3-121.1 148.7 52.1 38.8 35.1 33 41 A V E -ac 10 65A 0 31,-1.6 33,-2.6 -2,-0.3 2,-0.4 -0.921 5.7-166.4-146.1 116.7 49.7 41.0 33.1 34 42 A C E -ac 11 66A 7 -24,-2.5 -22,-1.8 -2,-0.3 2,-0.5 -0.809 6.8-156.3 -99.8 145.2 46.7 42.8 34.4 35 43 A V E -ac 12 67A 0 31,-1.9 33,-2.0 -2,-0.4 2,-0.7 -0.975 16.0-137.0-120.1 118.7 44.0 44.2 32.0 36 44 A W E +ac 13 68A 32 -24,-2.9 -22,-1.2 -2,-0.5 2,-0.4 -0.628 30.6 164.6 -83.3 113.8 42.0 47.1 33.4 37 45 A H - 0 0 17 31,-1.3 6,-0.1 -2,-0.7 -2,-0.0 -0.957 31.2-140.3-120.5 143.1 38.3 47.0 32.7 38 46 A M S S+ 0 0 139 -2,-0.4 2,-0.7 1,-0.1 -1,-0.1 0.920 78.4 81.7 -76.5 -43.6 36.0 49.3 34.7 39 47 A N > - 0 0 65 1,-0.2 4,-2.3 2,-0.1 3,-0.1 -0.499 64.5-158.8 -66.1 108.6 32.9 47.1 35.4 40 48 A E H > S+ 0 0 74 -2,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.832 89.9 54.3 -58.6 -36.6 34.0 45.0 38.5 41 49 A E H > S+ 0 0 154 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.933 108.9 47.5 -65.5 -44.3 31.3 42.4 37.8 42 50 A E H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.915 105.6 60.4 -61.2 -42.6 32.6 41.9 34.2 43 51 A V H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 24,-0.3 0.905 108.3 44.0 -50.1 -46.9 36.2 41.7 35.5 44 52 A R H X S+ 0 0 160 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.948 111.9 52.7 -64.8 -51.3 35.2 38.6 37.6 45 53 A L H >X S+ 0 0 60 -4,-2.3 4,-2.6 1,-0.2 3,-1.2 0.966 110.5 46.0 -45.8 -68.7 33.2 37.0 34.8 46 54 A V H 3X>S+ 0 0 0 -4,-2.5 5,-1.6 1,-0.3 4,-0.8 0.865 113.1 51.4 -43.0 -47.5 36.1 37.2 32.3 47 55 A N H 3<5S+ 0 0 39 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.825 112.2 46.6 -62.6 -33.8 38.5 35.9 35.0 48 56 A E H <<5S+ 0 0 149 -4,-2.4 -2,-0.2 -3,-1.2 -1,-0.2 0.952 114.8 44.2 -72.2 -51.9 36.2 33.0 35.7 49 57 A K H <5S- 0 0 120 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.501 101.4-134.1 -70.8 -6.1 35.6 32.1 32.1 50 58 A R T <5S+ 0 0 62 -4,-0.8 11,-1.0 -5,-0.4 2,-0.3 0.855 77.4 88.5 53.4 34.8 39.3 32.5 31.4 51 59 A E S + 0 0 1 7,-0.3 4,-1.5 -2,-0.3 3,-0.3 -0.530 37.1 170.7 -73.3 82.6 37.3 38.0 27.4 53 61 A V T 4 + 0 0 39 -2,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.526 67.4 71.3 -71.5 -3.0 33.8 37.1 26.3 54 62 A L T 4 S- 0 0 45 2,-0.1 -1,-0.2 -3,-0.1 3,-0.1 0.953 121.4 -10.8 -79.5 -52.5 33.3 40.8 26.1 55 63 A F T 4 S+ 0 0 102 -3,-0.3 -38,-0.2 -40,-0.2 -2,-0.1 0.516 132.4 47.9-132.8 -9.5 35.3 42.0 23.1 56 64 A L S >< S- 0 0 13 -4,-1.5 3,-1.1 3,-0.1 -4,-0.2 -0.548 75.1-171.7-132.2 66.0 37.5 39.1 21.9 57 65 A K T 3 + 0 0 160 1,-0.2 -4,-0.1 -4,-0.2 3,-0.1 -0.238 64.5 25.4 -59.6 145.6 35.1 36.2 21.7 58 66 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 -7,-0.0 -1,-0.2 0.550 92.3 114.2 80.7 9.3 36.6 32.7 21.1 59 67 A V < - 0 0 10 -3,-1.1 2,-0.9 -7,-0.2 -7,-0.3 -0.937 61.0-132.8-118.0 139.3 40.1 33.4 22.4 60 68 A Q - 0 0 130 -2,-0.4 -9,-0.2 -9,-0.1 3,-0.1 -0.752 21.6-133.3 -94.1 106.4 41.7 31.7 25.4 61 69 A L - 0 0 6 -11,-1.0 -40,-0.0 -2,-0.9 -37,-0.0 -0.182 29.0-106.1 -55.2 135.0 43.4 34.2 27.7 62 70 A A > - 0 0 26 1,-0.1 3,-1.2 2,-0.1 -1,-0.1 -0.240 33.2-115.4 -51.2 157.0 46.8 33.0 28.8 63 71 A S T 3 S+ 0 0 107 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.791 113.3 63.0 -73.2 -23.8 46.5 31.9 32.4 64 72 A N T 3 S+ 0 0 49 -37,-0.1 -31,-1.6 -32,-0.1 2,-0.6 0.277 82.8 96.9 -84.5 13.9 48.8 34.7 33.5 65 73 A I E < -c 33 0A 0 -3,-1.2 2,-0.5 -33,-0.1 -31,-0.2 -0.902 52.7-178.1-103.2 125.4 46.3 37.4 32.3 66 74 A T E -c 34 0A 62 -33,-2.6 -31,-1.9 -2,-0.6 2,-0.3 -0.974 18.7-142.6-129.4 123.0 44.0 38.8 35.0 67 75 A F E +c 35 0A 2 -2,-0.5 2,-0.3 -24,-0.3 -31,-0.2 -0.602 26.0 177.4 -77.8 138.8 41.3 41.4 34.5 68 76 A T E -c 36 0A 16 -33,-2.0 -31,-1.3 -2,-0.3 -29,-0.1 -0.996 31.5-158.9-145.8 142.6 40.9 43.9 37.3 69 77 A S S S+ 0 0 25 -2,-0.3 2,-0.8 -33,-0.2 -29,-0.1 0.287 72.4 93.7-100.4 10.5 38.6 47.0 37.8 70 78 A D >> - 0 0 49 1,-0.2 4,-2.5 -30,-0.1 3,-1.5 -0.861 60.2-160.8-111.3 96.6 40.9 48.5 40.4 71 79 A V H 3> S+ 0 0 14 -2,-0.8 4,-2.0 1,-0.3 5,-0.3 0.835 92.3 57.5 -40.8 -43.8 43.3 51.0 38.8 72 80 A E H 3> S+ 0 0 78 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.845 109.3 42.3 -62.4 -38.3 45.5 50.7 41.8 73 81 A K H <4 S+ 0 0 130 -3,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.831 109.2 63.4 -76.3 -31.4 45.9 46.9 41.5 74 82 A A H < S+ 0 0 0 -4,-2.5 -40,-0.3 1,-0.2 -2,-0.2 0.946 114.1 25.0 -58.2 -52.2 46.3 47.3 37.7 75 83 A Y H >< S+ 0 0 20 -4,-2.0 3,-1.6 2,-0.1 2,-0.2 0.669 85.4 116.0 -92.4 -20.2 49.6 49.4 37.7 76 84 A N T 3< S+ 0 0 109 -4,-1.1 3,-0.1 1,-0.3 25,-0.0 -0.333 97.3 1.4 -56.7 115.3 51.3 48.5 41.0 77 85 A G T 3 S+ 0 0 35 1,-0.3 -68,-0.3 -2,-0.2 -1,-0.3 0.048 94.2 146.6 93.7 -26.6 54.5 46.7 40.0 78 86 A A < - 0 0 1 -3,-1.6 -1,-0.3 1,-0.2 -68,-0.2 -0.111 33.2-167.2 -46.4 135.5 53.8 47.2 36.2 79 87 A E S S+ 0 0 69 -70,-2.5 2,-0.3 1,-0.3 -69,-0.2 0.274 77.2 29.1-110.1 4.8 57.0 47.6 34.3 80 88 A I S S- 0 0 0 -71,-0.2 -69,-1.8 30,-0.1 2,-0.4 -0.919 70.2-155.1-157.6 142.3 55.2 48.7 31.2 81 89 A I E -bd 11 112A 0 30,-2.3 32,-3.3 -2,-0.3 2,-0.5 -0.987 5.1-165.2-123.7 129.4 51.9 50.5 30.7 82 90 A L E -bd 12 113A 0 -71,-1.6 -69,-3.4 -2,-0.4 2,-0.5 -0.944 4.6-158.0-112.7 133.5 49.7 50.3 27.7 83 91 A F E +bd 13 114A 0 30,-2.7 32,-2.8 -2,-0.5 33,-0.7 -0.940 31.4 146.8-107.4 133.4 46.8 52.7 27.1 84 92 A V + 0 0 22 -71,-3.1 -70,-0.2 -2,-0.5 33,-0.2 0.176 26.4 134.9-147.2 6.4 44.1 51.6 24.7 85 93 A I - 0 0 9 -72,-0.8 5,-0.1 -71,-0.1 30,-0.1 -0.365 69.6 -93.9 -56.3 139.6 41.2 53.3 26.4 86 94 A P >> - 0 0 61 0, 0.0 3,-1.3 0, 0.0 4,-0.9 -0.259 34.0-110.3 -63.4 154.4 39.2 55.0 23.6 87 95 A T H >> S+ 0 0 9 30,-0.5 3,-1.7 1,-0.3 4,-0.6 0.903 111.9 59.2 -52.7 -53.3 39.9 58.6 22.8 88 96 A Q H 34 S+ 0 0 136 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.698 114.3 35.7 -51.4 -28.6 36.8 60.1 24.2 89 97 A F H <> S+ 0 0 130 -3,-1.3 4,-2.1 2,-0.1 -1,-0.3 0.474 92.6 94.6-104.6 -6.0 37.4 58.8 27.7 90 98 A L H XX S+ 0 0 0 -3,-1.7 4,-2.0 -4,-0.9 3,-0.7 0.951 88.1 40.2 -50.0 -64.2 41.1 59.2 27.7 91 99 A R H 3X S+ 0 0 43 -4,-0.6 4,-2.8 1,-0.3 -1,-0.2 0.900 115.1 52.8 -53.1 -49.3 41.3 62.6 29.4 92 100 A G H 3> S+ 0 0 36 -4,-0.3 4,-2.6 1,-0.2 5,-0.3 0.803 105.9 54.8 -59.0 -32.0 38.6 61.8 31.9 93 101 A F H S+ 0 0 13 -4,-2.1 4,-2.7 -3,-0.7 5,-0.9 0.959 111.2 44.5 -65.7 -50.4 40.4 58.6 32.9 94 102 A F H X5S+ 0 0 4 -4,-2.0 4,-0.9 3,-0.2 5,-0.2 0.909 117.5 44.7 -60.8 -40.3 43.5 60.6 33.7 95 103 A E H <5S+ 0 0 131 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.948 123.2 33.6 -70.2 -46.5 41.5 63.4 35.5 96 104 A K H <5S+ 0 0 179 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.739 140.3 5.8 -83.3 -24.6 39.3 61.0 37.6 97 105 A S H X5S+ 0 0 36 -4,-2.7 4,-0.5 -5,-0.3 3,-0.3 0.509 103.4 84.0-138.3 -4.1 41.6 58.1 38.2 98 106 A G H X< + 0 0 0 -5,-0.9 4,-4.1 -4,-0.9 5,-0.3 0.541 60.8 100.7 -84.5 -6.3 45.2 58.7 37.0 99 107 A G H > S+ 0 0 48 -5,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 92.9 29.0 -43.5 -64.6 46.4 60.5 40.0 100 108 A N H > S+ 0 0 91 -3,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.923 120.3 56.7 -67.9 -41.5 48.3 57.7 41.7 101 109 A L H X S+ 0 0 0 -4,-0.5 4,-2.8 1,-0.2 -2,-0.2 0.905 107.0 48.5 -52.2 -48.1 49.0 56.1 38.3 102 110 A I H X S+ 0 0 22 -4,-4.1 4,-2.8 2,-0.2 5,-0.2 0.938 112.4 47.1 -60.9 -49.3 50.7 59.2 37.0 103 111 A A H X S+ 0 0 57 -4,-1.8 4,-3.3 -5,-0.3 5,-0.2 0.916 112.8 50.3 -61.2 -43.4 52.9 59.7 40.1 104 112 A Y H X S+ 0 0 50 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.949 111.2 48.1 -59.3 -48.6 53.8 56.0 40.0 105 113 A A H X>S+ 0 0 0 -4,-2.8 5,-1.8 1,-0.2 4,-0.6 0.918 115.6 44.5 -58.0 -46.8 54.8 56.2 36.3 106 114 A K H ><5S+ 0 0 102 -4,-2.8 3,-0.9 3,-0.2 -2,-0.2 0.947 112.8 51.3 -63.5 -50.0 56.9 59.3 36.8 107 115 A E H 3<5S+ 0 0 137 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.927 121.4 30.8 -54.9 -49.8 58.5 58.0 40.0 108 116 A K H 3<5S- 0 0 128 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.341 103.0-123.6 -96.9 10.5 59.6 54.7 38.5 109 117 A Q T <<5 - 0 0 127 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.927 40.5-173.5 49.9 50.8 60.1 55.9 34.9 110 118 A V < - 0 0 4 -5,-1.8 -1,-0.2 -6,-0.2 -30,-0.1 -0.662 25.2-117.7 -80.9 125.3 57.7 53.3 33.6 111 119 A P - 0 0 28 0, 0.0 -30,-2.3 0, 0.0 2,-0.4 -0.291 28.7-151.3 -63.4 136.7 57.6 53.2 29.8 112 120 A V E -de 81 140A 0 27,-3.5 29,-1.5 -32,-0.2 2,-0.5 -0.908 5.8-158.6-116.3 140.6 54.1 54.0 28.5 113 121 A L E -de 82 141A 0 -32,-3.3 -30,-2.7 -2,-0.4 2,-0.6 -0.954 5.7-152.1-126.3 116.8 52.8 52.7 25.3 114 122 A V E +de 83 142A 0 27,-3.0 29,-2.6 -2,-0.5 -30,-0.2 -0.744 29.5 154.9 -90.8 123.8 50.0 54.4 23.5 115 123 A C + 0 0 2 -32,-2.8 -31,-0.2 -2,-0.6 -1,-0.1 0.392 38.9 113.4-125.1 -6.6 47.7 52.2 21.4 116 124 A T - 0 0 9 -33,-0.7 2,-0.4 -30,-0.1 12,-0.2 -0.427 52.3-155.4 -64.7 146.8 44.6 54.4 21.5 117 125 A K + 0 0 39 -33,-0.2 -30,-0.5 -2,-0.1 2,-0.3 -0.977 36.5 53.2-134.3 139.4 43.7 55.9 18.1 118 126 A G S S- 0 0 3 -2,-0.4 2,-0.4 78,-0.3 82,-0.2 -0.922 72.1 -73.9 143.5-169.1 41.7 58.9 17.0 119 127 A I - 0 0 10 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.997 39.5-127.8-130.8 126.7 41.2 62.7 17.3 120 128 A E > - 0 0 19 5,-3.0 4,-2.4 -2,-0.4 5,-0.4 -0.630 16.3-141.7 -76.0 129.6 39.7 64.2 20.5 121 129 A R T 4 S+ 0 0 112 -2,-0.4 -1,-0.1 2,-0.2 -33,-0.0 0.896 93.1 52.0 -61.2 -44.0 36.8 66.5 19.5 122 130 A S T 4 S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 0.948 130.0 13.3 -61.0 -49.5 37.4 69.2 22.1 123 131 A T T 4 S- 0 0 53 2,-0.1 -1,-0.2 3,-0.0 -2,-0.2 0.547 89.5-130.1-103.5 -14.3 41.1 69.9 21.4 124 132 A L < + 0 0 16 -4,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.886 61.4 142.4 57.5 37.0 41.6 68.1 18.1 125 133 A K - 0 0 61 -5,-0.4 -5,-3.0 1,-0.0 -1,-0.2 -0.715 50.4-116.3-103.3 161.8 44.6 66.4 19.7 126 134 A F > - 0 0 3 -2,-0.3 4,-2.4 -7,-0.2 3,-0.3 -0.502 32.1 -99.4 -93.8 165.9 45.8 62.8 19.2 127 135 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.878 120.1 44.1 -58.2 -49.6 45.9 60.1 21.9 128 136 A A H > S+ 0 0 12 -12,-0.2 4,-2.0 1,-0.2 5,-0.1 0.825 112.7 54.9 -63.7 -32.7 49.6 60.2 22.8 129 137 A E H 4 S+ 0 0 66 -3,-0.3 -1,-0.2 2,-0.2 4,-0.2 0.917 109.6 46.9 -66.2 -41.7 49.4 64.1 22.8 130 138 A I H >< S+ 0 0 0 -4,-2.4 3,-3.7 1,-0.2 4,-0.5 0.996 112.3 48.2 -59.2 -63.8 46.6 63.9 25.3 131 139 A I H >X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.3 3,-1.6 0.819 103.1 66.0 -46.9 -34.9 48.4 61.4 27.5 132 140 A G T 3< S+ 0 0 26 -4,-2.0 -1,-0.3 1,-0.3 5,-0.3 0.558 89.2 64.3 -65.1 -7.2 51.4 63.7 27.2 133 141 A E T <4 S+ 0 0 89 -3,-3.7 -1,-0.3 -4,-0.2 -2,-0.2 0.610 114.9 32.1 -88.7 -13.3 49.5 66.4 29.1 134 142 A F T <4 S+ 0 0 40 -3,-1.6 -2,-0.2 -4,-0.5 -3,-0.1 0.655 123.3 44.5-111.3 -22.1 49.6 64.0 32.0 135 143 A L S < S- 0 0 3 -4,-2.0 -1,-0.2 -5,-0.2 5,-0.1 -0.972 90.5 -99.1-132.6 138.8 52.9 62.2 31.5 136 144 A P > - 0 0 46 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.257 33.4-128.5 -55.2 126.2 56.4 63.4 30.5 137 145 A S G > S+ 0 0 82 1,-0.3 3,-2.5 -5,-0.3 28,-0.2 0.792 102.2 69.2 -47.3 -40.2 56.9 62.8 26.7 138 146 A P G 3 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 28,-0.1 0.771 97.2 52.5 -53.4 -29.2 60.2 60.9 27.2 139 147 A L G < S+ 0 0 13 -3,-2.2 -27,-3.5 -28,-0.1 2,-0.4 0.476 96.7 97.9 -82.4 -1.0 58.3 58.0 28.8 140 148 A L E < +e 112 0A 16 -3,-2.5 25,-0.4 -4,-0.3 2,-0.3 -0.714 41.5 166.6-105.0 139.5 55.9 57.8 25.8 141 149 A S E -e 113 0A 1 -29,-1.5 -27,-3.0 -2,-0.4 2,-0.4 -0.926 23.4-135.9-135.3 162.5 55.8 55.6 22.8 142 150 A V E -eF 114 163A 9 21,-2.8 21,-2.8 -2,-0.3 2,-0.5 -0.978 8.2-153.6-123.8 133.7 53.2 54.8 20.1 143 151 A L E + F 0 162A 1 -29,-2.6 2,-0.3 -2,-0.4 19,-0.2 -0.902 28.8 149.1-106.1 130.0 52.3 51.4 18.6 144 152 A A E + F 0 161A 0 17,-2.8 17,-3.8 -2,-0.5 107,-0.2 -0.991 10.3 103.5-155.6 151.4 50.9 51.3 15.1 145 153 A G S S- 0 0 0 -2,-0.3 2,-0.7 106,-0.3 106,-0.2 -0.852 76.4 -47.3 153.8 173.6 50.8 48.9 12.1 146 154 A P S S+ 0 0 30 0, 0.0 13,-0.4 0, 0.0 2,-0.1 -0.586 71.2 149.2 -75.0 112.2 48.6 46.3 10.3 147 155 A S - 0 0 14 -2,-0.7 2,-0.2 11,-0.1 11,-0.1 -0.575 32.1-163.4-154.5 80.2 47.2 44.3 13.2 148 156 A F > - 0 0 69 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.484 29.0-128.6 -62.1 131.4 43.8 42.6 13.2 149 157 A A H > S+ 0 0 20 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.881 103.1 51.5 -55.2 -48.2 43.1 41.8 16.8 150 158 A I H > S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 6,-0.2 0.959 111.4 48.5 -57.7 -48.7 42.2 38.1 16.3 151 159 A E H 4>S+ 0 0 82 1,-0.2 5,-2.1 2,-0.2 -1,-0.2 0.924 114.9 44.7 -57.9 -44.9 45.4 37.5 14.4 152 160 A V H ><5S+ 0 0 6 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.908 112.3 52.8 -66.0 -41.5 47.5 39.2 17.1 153 161 A A H 3<5S+ 0 0 4 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.858 112.5 43.7 -63.5 -35.6 45.6 37.4 19.9 154 162 A T T 3<5S- 0 0 76 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.247 116.2-108.3 -97.6 16.2 46.2 34.0 18.4 155 163 A G T < 5 + 0 0 21 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.628 60.7 156.1 76.5 14.2 49.9 34.5 17.5 156 164 A V < - 0 0 70 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.631 61.1 -73.6 -78.7 133.4 49.5 34.7 13.7 157 165 A F + 0 0 131 -2,-0.3 2,-0.4 27,-0.1 27,-0.2 0.180 64.7 167.9 -34.7 116.9 52.4 36.6 12.1 158 166 A T E - 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