==== 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 17-OCT-02 1N1G . COMPND 2 MOLECULE: GLYCEROL-3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR J.CHOE,W.G.HOL . 346 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16466.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 70.5 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 . 34 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 39.6 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 4 3 0 0 0 0 1 0 0 0 0 1 0 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 0 127 0, 0.0 174,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.7 70.7 44.4 20.8 2 10 A D + 0 0 166 2,-0.1 2,-0.3 173,-0.0 0, 0.0 0.385 360.0 111.2-101.9 -0.5 68.6 41.8 19.1 3 11 A E S S- 0 0 147 1,-0.1 172,-0.0 0, 0.0 2,-0.0 -0.577 70.6-118.2 -76.2 134.4 68.0 39.8 22.4 4 12 A L - 0 0 38 -2,-0.3 2,-0.5 1,-0.1 172,-0.2 -0.257 18.5-129.3 -73.8 157.6 64.5 39.9 23.7 5 13 A L - 0 0 32 170,-2.8 2,-0.3 173,-0.2 -1,-0.1 -0.934 17.3-162.2-110.7 133.7 63.4 41.3 27.0 6 14 A Y - 0 0 147 -2,-0.5 2,-0.3 24,-0.0 24,-0.2 -0.876 10.1-163.2-114.4 147.2 61.2 39.4 29.5 7 15 A L E -a 30 0A 18 22,-2.5 24,-2.1 -2,-0.3 25,-0.1 -0.838 28.6-132.8-130.5 160.3 59.4 41.0 32.4 8 16 A N E S+ 0 0 102 -2,-0.3 24,-2.0 1,-0.2 2,-0.3 0.891 89.2 13.1 -76.5 -42.0 57.6 40.1 35.6 9 17 A K E -a 32 0A 12 68,-0.3 70,-2.8 22,-0.2 71,-0.4 -0.994 52.3-178.1-144.6 145.4 54.5 42.2 35.0 10 18 A A E -a 33 0A 0 22,-1.8 24,-2.3 -2,-0.3 2,-0.4 -0.973 13.0-156.0-131.6 146.2 52.5 44.0 32.3 11 19 A V E -ab 34 81A 0 69,-1.9 71,-2.5 -2,-0.3 2,-0.5 -0.988 1.2-162.3-123.4 136.9 49.3 45.9 32.7 12 20 A V E -ab 35 82A 0 22,-2.8 24,-2.6 -2,-0.4 2,-0.8 -0.978 6.1-156.6-117.6 116.8 46.9 46.6 29.9 13 21 A F E +ab 36 83A 0 69,-3.2 71,-3.3 -2,-0.5 72,-0.5 -0.840 69.2 46.8 -91.6 109.2 44.3 49.4 30.4 14 22 A G - 0 0 6 22,-1.5 71,-0.1 -2,-0.8 22,-0.1 -0.057 61.9-149.5 123.2 131.5 41.4 48.6 28.1 15 23 A S + 0 0 13 4,-0.1 40,-0.2 69,-0.1 22,-0.1 0.004 51.0 122.7-125.0 23.4 39.6 45.4 27.5 16 24 A G S > S- 0 0 29 68,-0.2 4,-2.6 38,-0.1 5,-0.2 -0.048 82.2 -82.7 -72.9-175.3 38.5 45.5 23.9 17 25 A A H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.919 130.8 43.5 -55.4 -47.8 39.4 43.0 21.2 18 26 A F H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 112.9 50.8 -69.8 -43.0 42.7 44.6 20.5 19 27 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.928 112.2 47.4 -59.5 -48.1 43.6 45.1 24.2 20 28 A T H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.910 109.3 53.9 -59.3 -45.1 42.9 41.5 25.0 21 29 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.877 108.6 49.3 -57.5 -40.6 44.9 40.3 21.9 22 30 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.815 105.8 56.2 -69.9 -33.5 47.9 42.3 23.1 23 31 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.892 106.1 52.1 -59.7 -42.1 47.5 40.8 26.6 24 32 A M H < S+ 0 0 28 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.920 111.2 47.0 -58.1 -44.2 47.8 37.4 24.8 25 33 A V H >< S+ 0 0 2 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.922 113.5 47.2 -62.7 -46.0 51.0 38.7 23.2 26 34 A L H >X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 3,-2.2 0.788 96.8 72.5 -69.4 -27.9 52.4 39.9 26.5 27 35 A S T 3< S+ 0 0 17 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.693 96.2 52.7 -60.6 -18.3 51.5 36.7 28.3 28 36 A K T <4 S+ 0 0 93 -3,-1.1 -1,-0.3 -4,-0.4 152,-0.2 0.454 119.3 33.6 -91.3 -3.4 54.4 35.0 26.3 29 37 A K T <4 S+ 0 0 4 -3,-2.2 -22,-2.5 1,-0.2 2,-0.4 0.498 115.1 53.3-129.8 -15.1 56.9 37.7 27.5 30 38 A C E < -a 7 0A 4 -4,-2.2 -1,-0.2 -24,-0.2 -22,-0.2 -0.989 68.9-139.1-126.8 138.6 55.7 38.6 31.0 31 39 A R E S+ 0 0 200 -24,-2.1 2,-0.4 -2,-0.4 -22,-0.2 0.890 93.2 29.0 -57.6 -41.6 55.1 36.3 33.9 32 40 A E E -a 9 0A 90 -24,-2.0 -22,-1.8 -25,-0.1 2,-0.4 -0.959 64.9-173.9-127.1 136.9 51.9 38.2 34.9 33 41 A V E -ac 10 65A 0 31,-2.0 33,-2.9 -2,-0.4 2,-0.4 -0.969 4.6-166.6-133.8 119.7 49.5 40.3 32.8 34 42 A C E -ac 11 66A 8 -24,-2.3 -22,-2.8 -2,-0.4 2,-0.5 -0.878 3.9-161.7-100.3 135.8 46.6 42.3 34.2 35 43 A V E -ac 12 67A 0 31,-2.3 33,-2.1 -2,-0.4 2,-0.3 -0.968 15.6-143.6-115.5 113.3 43.9 43.6 32.0 36 44 A W E +ac 13 68A 31 -24,-2.6 -22,-1.5 -2,-0.5 2,-0.3 -0.576 26.0 166.9 -78.4 134.9 41.9 46.5 33.6 37 45 A H - 0 0 18 31,-2.5 6,-0.1 -2,-0.3 -2,-0.0 -0.960 32.9-136.9-149.7 127.1 38.2 46.7 32.9 38 46 A M S S+ 0 0 150 -2,-0.3 2,-0.7 4,-0.1 31,-0.1 0.730 79.5 82.3 -65.8 -28.1 35.9 49.0 35.0 39 47 A N > - 0 0 59 1,-0.2 4,-2.0 29,-0.1 3,-0.2 -0.709 58.1-164.1 -86.9 113.4 32.9 46.7 35.6 40 48 A E H > S+ 0 0 72 -2,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.875 89.1 53.0 -60.6 -43.8 33.4 44.2 38.5 41 49 A E H > S+ 0 0 158 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.855 112.9 44.2 -61.1 -39.3 30.6 41.9 37.5 42 50 A E H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.806 109.5 56.8 -77.0 -31.4 32.0 41.5 34.0 43 51 A V H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 24,-0.2 0.895 107.2 49.2 -62.4 -42.1 35.6 41.1 35.3 44 52 A R H X S+ 0 0 156 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.915 109.7 51.0 -65.6 -45.0 34.4 38.1 37.4 45 53 A L H X S+ 0 0 64 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.908 110.8 48.4 -57.0 -46.9 32.6 36.5 34.5 46 54 A V H X>S+ 0 0 1 -4,-2.0 5,-1.5 1,-0.2 4,-0.9 0.883 112.2 47.9 -65.1 -42.6 35.7 36.8 32.2 47 55 A N H <5S+ 0 0 45 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.842 115.2 45.6 -66.2 -36.3 38.1 35.3 34.9 48 56 A E H <5S+ 0 0 148 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.921 117.3 42.8 -70.6 -47.5 35.7 32.4 35.6 49 57 A K H <5S- 0 0 124 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.586 99.0-137.8 -75.6 -11.6 35.1 31.7 31.9 50 58 A R T <5S+ 0 0 63 -4,-0.9 11,-1.8 -5,-0.2 2,-0.3 0.879 75.1 88.6 52.3 43.6 38.8 32.1 31.1 51 59 A E S + 0 0 1 7,-0.5 4,-2.5 4,-0.3 3,-0.3 -0.558 39.0 175.4 -71.6 82.4 36.8 37.7 27.1 53 61 A V T 4 S+ 0 0 30 -2,-2.0 4,-0.2 1,-0.2 -1,-0.2 0.593 70.8 56.0 -70.1 -11.4 33.2 36.7 26.1 54 62 A L T 4 S+ 0 0 61 -3,-0.1 -1,-0.2 2,-0.1 -37,-0.1 0.862 128.3 4.1 -88.1 -39.5 32.3 40.4 25.6 55 63 A F T 4 S+ 0 0 108 -3,-0.3 -2,-0.2 -40,-0.2 -38,-0.1 0.447 134.2 38.0-131.0 -4.6 35.0 41.5 23.0 56 64 A L S >< S- 0 0 11 -4,-2.5 3,-1.1 3,-0.1 -4,-0.3 -0.309 74.1-175.9-145.0 57.1 37.1 38.4 22.0 57 65 A K T 3 + 0 0 156 1,-0.2 -4,-0.1 -4,-0.2 3,-0.1 -0.251 65.6 23.4 -60.1 138.4 34.7 35.5 21.9 58 66 A G T 3 S+ 0 0 70 1,-0.2 2,-0.5 0, 0.0 -1,-0.2 0.557 93.2 111.0 86.2 11.4 36.1 32.0 21.1 59 67 A V < - 0 0 8 -3,-1.1 2,-0.5 -7,-0.1 -7,-0.5 -0.975 61.7-136.6-122.4 121.8 39.7 32.7 22.3 60 68 A Q - 0 0 150 -2,-0.5 -9,-0.2 -9,-0.1 -10,-0.1 -0.631 22.8-129.0 -78.5 122.1 41.0 31.0 25.5 61 69 A L - 0 0 6 -11,-1.8 -1,-0.1 -2,-0.5 2,-0.0 -0.378 27.8-101.9 -67.6 142.8 43.0 33.5 27.7 62 70 A A > - 0 0 24 1,-0.1 3,-1.8 -2,-0.1 -1,-0.1 -0.387 32.0-117.5 -59.3 143.7 46.5 32.5 28.8 63 71 A S T 3 S+ 0 0 112 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.731 112.9 61.1 -59.5 -23.6 46.4 31.3 32.4 64 72 A N T 3 S+ 0 0 43 -37,-0.1 -31,-2.0 -34,-0.1 2,-0.5 0.138 84.0 96.0 -93.0 19.7 48.7 34.2 33.4 65 73 A I E < -c 33 0A 0 -3,-1.8 2,-0.5 -33,-0.2 -31,-0.2 -0.957 53.2-175.9-109.1 123.3 46.2 36.8 32.3 66 74 A T E -c 34 0A 62 -33,-2.9 -31,-2.3 -2,-0.5 2,-0.2 -0.978 16.8-143.8-122.8 125.6 44.0 38.3 35.0 67 75 A F E +c 35 0A 6 -2,-0.5 2,-0.3 -24,-0.2 -31,-0.2 -0.599 26.6 177.9 -79.8 146.4 41.1 40.8 34.5 68 76 A T E -c 36 0A 21 -33,-2.1 -31,-2.5 -2,-0.2 -29,-0.1 -0.996 35.8-158.0-153.8 143.6 40.7 43.4 37.2 69 77 A S S S+ 0 0 32 -2,-0.3 2,-0.7 -33,-0.2 -29,-0.1 0.434 74.1 93.9 -98.1 -1.0 38.5 46.4 38.0 70 78 A D > - 0 0 58 1,-0.2 4,-2.3 -30,-0.1 3,-0.2 -0.830 58.1-163.2-103.1 109.3 41.0 47.9 40.5 71 79 A V H > S+ 0 0 12 -2,-0.7 4,-2.1 1,-0.2 5,-0.2 0.866 89.2 52.8 -56.5 -42.6 43.4 50.4 38.9 72 80 A E H > S+ 0 0 69 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.872 112.9 42.0 -66.7 -42.2 45.9 50.2 41.7 73 81 A K H 4 S+ 0 0 140 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.821 110.4 61.2 -72.0 -33.0 46.2 46.5 41.6 74 82 A A H < S+ 0 0 0 -4,-2.3 -40,-0.2 1,-0.2 -2,-0.2 0.957 116.7 26.4 -57.4 -53.1 46.3 46.6 37.8 75 83 A Y H >< S+ 0 0 22 -4,-2.1 3,-2.6 -5,-0.1 -1,-0.2 0.664 89.1 119.0 -88.6 -19.0 49.4 48.7 37.5 76 84 A N T 3< S+ 0 0 105 -4,-1.3 25,-0.0 1,-0.3 -4,-0.0 -0.304 92.1 1.3 -57.1 117.8 51.2 47.8 40.8 77 85 A G T 3 S+ 0 0 38 1,-0.3 -1,-0.3 -2,-0.1 -68,-0.3 0.376 94.7 149.5 85.0 -3.1 54.5 46.2 39.9 78 86 A A < - 0 0 1 -3,-2.6 -1,-0.3 1,-0.1 -68,-0.2 -0.328 34.5-166.9 -66.6 141.9 54.1 46.6 36.2 79 87 A E S S+ 0 0 72 -70,-2.8 2,-0.3 1,-0.3 -69,-0.2 0.422 79.1 29.4-108.3 -3.2 57.2 47.1 34.0 80 88 A I - 0 0 0 -71,-0.4 -69,-1.9 30,-0.2 2,-0.5 -0.960 70.0-154.2-149.1 141.7 55.2 48.2 30.9 81 89 A I E -bd 11 112A 0 30,-2.4 32,-3.5 -2,-0.3 2,-0.4 -0.980 7.2-164.1-120.1 127.8 51.9 50.0 30.6 82 90 A L E -bd 12 113A 0 -71,-2.5 -69,-3.2 -2,-0.5 2,-0.5 -0.916 3.9-156.8-109.3 135.8 49.6 49.7 27.6 83 91 A F E +bd 13 114A 0 30,-2.4 32,-2.8 -2,-0.4 33,-0.9 -0.963 31.6 147.5-112.1 122.7 46.7 52.0 26.9 84 92 A V + 0 0 23 -71,-3.3 -68,-0.2 -2,-0.5 -70,-0.2 0.079 28.3 135.9-133.5 15.1 43.8 50.9 24.8 85 93 A I - 0 0 7 -72,-0.5 5,-0.1 -71,-0.1 -71,-0.1 -0.496 68.7 -98.0 -59.8 132.1 41.0 52.9 26.5 86 94 A P >> - 0 0 63 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.249 34.7-109.5 -55.9 147.4 38.9 54.5 23.8 87 95 A T H >> S+ 0 0 4 30,-0.5 3,-1.1 1,-0.3 4,-0.6 0.808 113.4 57.2 -50.2 -46.6 39.7 58.1 23.0 88 96 A Q H 34 S+ 0 0 118 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.676 112.3 41.3 -61.9 -21.0 36.6 59.7 24.5 89 97 A F H <> S+ 0 0 124 -3,-1.9 4,-2.2 2,-0.1 -1,-0.2 0.463 90.9 90.4-105.1 -4.8 37.3 58.2 27.9 90 98 A L H S+ 0 0 38 -4,-0.3 4,-2.6 1,-0.2 5,-0.3 0.866 106.5 54.9 -55.0 -40.1 38.4 61.2 32.1 93 101 A F H X S+ 0 0 13 -4,-2.2 4,-2.6 1,-0.2 5,-0.4 0.912 110.8 42.5 -61.6 -48.3 40.3 58.2 33.2 94 102 A F H X S+ 0 0 4 -4,-1.7 4,-1.1 3,-0.2 -1,-0.2 0.862 116.0 49.5 -66.4 -37.3 43.5 60.1 34.1 95 103 A E H < S+ 0 0 135 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.919 122.8 31.0 -67.9 -43.8 41.5 62.8 35.8 96 104 A K H < S+ 0 0 189 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.800 140.9 7.5 -85.5 -34.6 39.4 60.4 37.9 97 105 A S H < S+ 0 0 35 -4,-2.6 4,-0.4 -5,-0.3 -3,-0.2 0.303 105.0 82.9-137.1 7.7 41.7 57.4 38.5 98 106 A G X + 0 0 0 -4,-1.1 4,-3.2 -5,-0.4 5,-0.3 0.481 58.4 98.2 -99.7 -2.2 45.2 58.2 37.2 99 107 A G H > S+ 0 0 57 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.914 94.7 31.7 -54.6 -54.4 46.7 60.1 40.1 100 108 A N H > S+ 0 0 102 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.894 117.9 57.3 -70.5 -40.8 48.6 57.3 41.7 101 109 A L H > S+ 0 0 0 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.899 107.3 48.0 -52.9 -47.5 49.2 55.6 38.3 102 110 A I H X S+ 0 0 20 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.926 110.9 50.5 -63.9 -46.1 50.9 58.8 37.0 103 111 A A H X S+ 0 0 52 -4,-1.6 4,-2.9 -5,-0.3 -2,-0.2 0.922 112.3 47.7 -56.0 -48.6 53.1 59.1 40.1 104 112 A Y H X S+ 0 0 46 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.921 112.9 47.1 -58.5 -49.7 54.2 55.4 39.8 105 113 A A H X>S+ 0 0 0 -4,-2.5 5,-1.2 1,-0.2 4,-0.9 0.896 115.4 46.7 -61.7 -43.3 55.0 55.7 36.1 106 114 A K H <5S+ 0 0 113 -4,-2.7 3,-0.3 -5,-0.2 -2,-0.2 0.943 116.8 43.1 -60.1 -52.0 57.0 58.9 36.7 107 115 A E H <5S+ 0 0 155 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.927 122.1 36.2 -65.5 -48.1 58.9 57.5 39.7 108 116 A K H <5S- 0 0 131 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.473 101.1-127.8 -87.2 -2.8 59.7 54.1 38.2 109 117 A Q T <5 - 0 0 127 -4,-0.9 -3,-0.2 -3,-0.3 -4,-0.1 0.908 39.2-176.4 54.9 46.6 60.2 55.3 34.6 110 118 A V < - 0 0 6 -5,-1.2 -1,-0.2 -6,-0.2 -30,-0.2 -0.642 27.0-117.6 -80.3 121.1 57.8 52.6 33.3 111 119 A P - 0 0 22 0, 0.0 -30,-2.4 0, 0.0 2,-0.4 -0.299 27.4-152.1 -57.0 137.3 57.5 52.6 29.5 112 120 A V E -de 81 140A 0 27,-3.0 29,-1.9 -32,-0.2 2,-0.5 -0.958 4.7-159.0-117.9 133.9 54.0 53.4 28.3 113 121 A L E -de 82 141A 0 -32,-3.5 -30,-2.4 -2,-0.4 2,-0.5 -0.955 7.0-150.1-119.6 116.4 52.7 52.0 25.0 114 122 A V E +de 83 142A 0 27,-3.5 29,-2.5 -2,-0.5 -30,-0.1 -0.750 29.8 156.3 -90.4 122.9 49.8 53.8 23.3 115 123 A C + 0 0 2 -32,-2.8 -31,-0.2 -2,-0.5 -1,-0.1 0.397 38.4 114.6-121.6 -5.6 47.5 51.6 21.2 116 124 A T - 0 0 9 -33,-0.9 2,-0.4 -30,-0.1 12,-0.2 -0.410 49.7-158.4 -65.2 144.7 44.3 53.8 21.4 117 125 A K + 0 0 43 -33,-0.1 -30,-0.5 10,-0.1 2,-0.3 -0.981 38.2 61.6-130.0 140.2 43.2 55.3 18.0 118 126 A G S S- 0 0 2 -2,-0.4 2,-0.4 78,-0.3 82,-0.2 -0.896 70.1 -81.9 144.0-173.2 41.1 58.3 17.3 119 127 A I - 0 0 13 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -1.000 36.1-123.8-131.6 129.4 40.7 62.0 17.7 120 128 A E > - 0 0 14 5,-2.7 4,-2.1 -2,-0.4 5,-0.4 -0.596 18.0-143.2 -71.9 130.2 39.3 63.7 20.9 121 129 A R T 4 S+ 0 0 117 -2,-0.3 -1,-0.1 1,-0.2 -33,-0.0 0.886 93.4 47.4 -65.0 -42.1 36.3 65.9 19.9 122 130 A S T 4 S+ 0 0 102 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.823 129.2 18.9 -73.5 -31.6 37.0 68.8 22.4 123 131 A T T 4 S- 0 0 56 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.2 0.530 89.0-129.8-116.0 -8.9 40.7 69.3 21.6 124 132 A L < + 0 0 14 -4,-2.1 2,-0.3 1,-0.2 -3,-0.1 0.863 61.2 145.2 53.1 38.1 41.2 67.6 18.2 125 133 A K - 0 0 64 -5,-0.4 -5,-2.7 2,-0.0 -1,-0.2 -0.748 49.5-121.7-105.2 151.9 44.2 65.8 19.8 126 134 A F >> - 0 0 2 -2,-0.3 4,-2.0 -7,-0.2 3,-0.9 -0.530 33.3-101.7 -90.0 160.6 45.4 62.3 19.1 127 135 A P H 3> S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.875 119.7 47.7 -55.0 -48.2 45.6 59.6 21.9 128 136 A A H 3> S+ 0 0 12 1,-0.2 4,-1.3 -12,-0.2 65,-0.0 0.750 112.2 53.3 -64.7 -23.3 49.4 59.7 22.6 129 137 A E H <4 S+ 0 0 65 -3,-0.9 4,-0.3 2,-0.2 -1,-0.2 0.866 109.6 46.8 -75.8 -40.2 49.1 63.5 22.7 130 138 A I H >< S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 4,-0.4 0.958 113.8 47.3 -62.5 -51.9 46.3 63.3 25.3 131 139 A I H >X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.3 3,-1.8 0.829 103.6 64.0 -60.1 -34.5 48.3 60.8 27.4 132 140 A G T 3< S+ 0 0 24 -4,-1.3 5,-0.3 1,-0.3 -1,-0.3 0.549 89.3 67.2 -68.8 -10.0 51.4 63.1 27.1 133 141 A E T <4 S+ 0 0 91 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.671 116.9 25.9 -75.2 -19.5 49.5 65.8 29.0 134 142 A F T <4 S+ 0 0 45 -3,-1.8 -2,-0.2 -4,-0.4 -3,-0.1 0.792 122.1 46.5-113.3 -44.1 49.7 63.4 32.0 135 143 A L S < S- 0 0 1 -4,-3.0 -1,-0.2 -30,-0.0 2,-0.1 -0.845 96.1 -96.4-105.7 139.4 52.8 61.1 31.5 136 144 A P > - 0 0 43 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.341 30.9-129.1 -56.8 128.2 56.2 62.5 30.4 137 145 A S G > S+ 0 0 80 -5,-0.3 3,-1.8 1,-0.3 28,-0.2 0.705 101.5 70.1 -52.0 -32.4 56.6 62.1 26.6 138 146 A P G 3 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 28,-0.1 0.698 99.9 50.5 -57.6 -22.4 60.0 60.4 26.9 139 147 A L G < S+ 0 0 14 -3,-2.2 -27,-3.0 -28,-0.1 2,-0.4 0.415 94.6 103.7 -90.0 -2.7 58.2 57.3 28.3 140 148 A L E < +e 112 0A 14 -3,-1.8 25,-0.4 -4,-0.2 2,-0.3 -0.711 38.8 163.6-100.0 129.0 55.7 57.3 25.4 141 149 A S E -e 113 0A 0 -29,-1.9 -27,-3.5 -2,-0.4 2,-0.4 -0.931 24.4-138.8-130.9 159.8 55.5 55.0 22.4 142 150 A V E -eF 114 163A 6 21,-2.6 21,-3.3 -2,-0.3 2,-0.5 -0.969 7.3-154.4-119.1 134.2 52.9 54.2 19.9 143 151 A L E + F 0 162A 1 -29,-2.5 2,-0.3 -2,-0.4 19,-0.2 -0.935 29.2 148.6-106.8 126.9 52.0 50.8 18.5 144 152 A A E + F 0 161A 0 17,-2.5 17,-3.1 -2,-0.5 107,-0.2 -0.988 9.6 106.2-156.0 147.2 50.4 50.6 15.0 145 153 A G S S- 0 0 0 -2,-0.3 2,-0.9 15,-0.2 106,-0.2 -0.929 74.9 -44.4 162.3 177.4 50.4 48.2 12.1 146 154 A P S S+ 0 0 30 0, 0.0 13,-0.5 0, 0.0 2,-0.1 -0.609 73.7 146.3 -75.0 104.5 48.3 45.7 10.2 147 155 A S - 0 0 15 -2,-0.9 2,-0.1 11,-0.1 11,-0.1 -0.546 34.5-164.0-153.1 75.0 46.9 43.7 13.1 148 156 A F > - 0 0 73 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.418 30.3-128.5 -53.2 131.2 43.4 42.0 13.2 149 157 A A H > S+ 0 0 20 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.890 104.0 51.0 -57.5 -45.8 42.8 41.3 16.9 150 158 A I H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 6,-0.2 0.891 110.3 49.1 -62.6 -40.8 41.9 37.6 16.4 151 159 A E H 4>S+ 0 0 82 2,-0.2 5,-2.3 1,-0.2 -1,-0.2 0.904 115.0 45.4 -64.1 -41.9 45.0 36.9 14.3 152 160 A V H ><5S+ 0 0 4 -4,-2.1 3,-1.2 3,-0.2 -2,-0.2 0.925 112.1 51.9 -65.5 -46.0 47.1 38.6 17.0 153 161 A A H 3<5S+ 0 0 3 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.824 111.8 45.2 -62.2 -34.9 45.4 36.8 19.8 154 162 A T T 3<5S- 0 0 81 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.338 118.1-108.0 -95.2 8.1 45.8 33.3 18.3 155 163 A G T < 5 + 0 0 20 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.615 60.4 158.7 80.5 14.7 49.5 33.8 17.4 156 164 A V < - 0 0 74 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.566 59.0 -77.8 -74.4 135.0 49.1 34.1 13.6 157 165 A F + 0 0 130 -2,-0.3 2,-0.3 27,-0.1 27,-0.2 0.035 63.1 169.3 -44.6 122.9 52.1 36.0 12.1 158 166 A T E - 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0 0 0 5,-1.6 3,-1.5 -2,-0.3 5,-0.1 -0.399 11.8-120.3 -85.7 156.1 57.7 37.2 20.8 180 188 A G T 3 S+ 0 0 51 1,-0.3 -1,-0.1 -152,-0.2 -2,-0.0 0.722 113.4 51.8 -65.3 -26.9 60.2 34.3 21.1 181 189 A D T 3 S- 0 0 102 3,-0.0 -1,-0.3 0, 0.0 -2,-0.0 0.330 110.8-120.1 -90.3 8.2 58.5 32.3 18.2 182 190 A R S < S+ 0 0 148 -3,-1.5 3,-0.2 2,-0.2 -2,-0.1 0.703 78.5 125.7 58.8 22.8 58.7 35.4 15.9 183 191 A S S S+ 0 0 13 1,-0.2 -25,-2.4 -26,-0.1 2,-0.5 0.730 73.8 41.3 -77.7 -26.0 54.9 35.3 15.6 184 192 A F E S-g 158 0A 3 -27,-0.2 -5,-1.6 -5,-0.1 2,-0.4 -0.967 78.7-176.7-126.6 111.6 54.7 39.0 16.6 185 193 A V E -g 159 0A 11 -27,-2.9 -25,-2.7 -2,-0.5 2,-0.4 -0.920 7.7-158.8-118.8 135.9 57.4 41.1 15.1 186 194 A C E -g 160 0A 4 -2,-0.4 2,-0.4 -12,-0.2 -25,-0.2 -0.918 2.4-159.0-120.3 137.8 57.9 44.8 15.8 187 195 A W E -g 161 0A 145 -27,-2.2 -25,-2.6 -2,-0.4 2,-0.2 -0.960 20.3-127.9-118.2 133.2 59.8 47.4 13.7 188 196 A A E +g 162 0A 34 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.566 35.5 157.2 -85.8 141.2 61.1 50.7 15.2 189 197 A T E -g 163 0A 23 -27,-2.0 -25,-2.0 -2,-0.2 -19,-0.1 -0.953 40.6-137.6-150.1 167.4 60.3 54.1 13.8 190 198 A T S S+ 0 0 49 -2,-0.3 2,-2.1 -27,-0.2 3,-0.2 0.590 72.4 103.7 -98.6 -13.8 60.3 57.8 15.0 191 199 A D > + 0 0 1 1,-0.2 4,-2.1 -29,-0.1 5,-0.1 -0.399 29.5 152.9 -85.2 73.4 57.0 58.9 13.3 192 200 A T H > S+ 0 0 39 -2,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.882 75.9 51.6 -63.7 -40.4 54.5 59.0 16.1 193 201 A V H > S+ 0 0 24 -3,-0.2 4,-3.1 2,-0.2 5,-0.2 0.955 108.9 49.2 -62.0 -53.6 52.4 61.6 14.4 194 202 A G H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.913 111.9 50.4 -50.2 -47.9 52.2 59.6 11.1 195 203 A C H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.937 113.3 44.5 -55.7 -51.2 51.2 56.5 13.1 196 204 A E H X S+ 0 0 10 -4,-2.4 4,-1.5 2,-0.2 -78,-0.3 0.886 114.6 48.8 -66.3 -39.0 48.4 58.3 14.9 197 205 A V H >X S+ 0 0 0 -4,-3.1 4,-3.1 2,-0.2 3,-0.6 0.969 112.7 47.2 -61.6 -54.6 47.2 60.1 11.8 198 206 A A H 3X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.882 110.4 54.3 -52.2 -41.5 47.1 56.8 9.8 199 207 A S H 3< S+ 0 0 4 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.826 115.4 37.9 -65.6 -35.5 45.3 55.1 12.7 200 208 A A H XX S+ 0 0 0 -4,-1.5 3,-0.7 -3,-0.6 4,-0.7 0.905 118.5 46.4 -80.3 -49.0 42.5 57.7 12.8 201 209 A V H >X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 3,-0.9 0.851 98.8 69.1 -67.6 -34.7 42.1 58.3 9.0 202 210 A K H 3X S+ 0 0 19 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.855 97.2 54.7 -52.9 -35.2 42.1 54.6 8.0 203 211 A N H <> S+ 0 0 19 -3,-0.7 4,-0.6 -4,-0.4 88,-0.4 0.807 108.7 46.7 -71.8 -32.0 38.7 54.2 9.7 204 212 A V H S+ 0 0 12 -4,-2.9 5,-2.1 1,-0.2 4,-0.3 0.889 110.3 47.3 -53.2 -45.3 32.6 52.0 -3.3 213 221 A N H ><5S+ 0 0 46 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.898 112.7 48.6 -64.5 -41.6 31.4 48.4 -2.9 214 222 A G H 3<5S+ 0 0 11 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.724 105.5 58.4 -71.2 -23.5 27.8 49.5 -2.4 215 223 A L T 3<5S- 0 0 21 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.545 124.2-104.3 -78.4 -9.7 28.0 51.7 -5.5 216 224 A G T < 5S+ 0 0 69 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.396 74.0 141.2 99.3 -1.2 28.9 48.6 -7.5 217 225 A M < - 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