==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-OCT-09 3K7Y . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR M.R.GROVES,R.JORDANOVA,R.JAIN,C.WRENGER,I.B.MULLER . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.2 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 . 30 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.2 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 1 1 1 1 0 2 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 1 1 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 0 PARALLEL BRIDGES PER LADDER . 1 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 0 241 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.7 37.7 25.1 61.9 2 2 A D + 0 0 132 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.421 360.0 155.9 -57.2 117.3 37.2 24.6 58.1 3 3 A K > + 0 0 140 -2,-0.3 3,-2.2 2,-0.0 -1,-0.2 0.568 48.9 95.4-114.2 -23.7 40.3 22.9 56.8 4 4 A L G > S+ 0 0 112 1,-0.3 3,-1.3 2,-0.2 4,-0.1 0.750 71.2 73.5 -37.2 -37.9 38.6 21.3 53.7 5 5 A L G > S+ 0 0 105 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.331 72.6 89.6 -66.0 7.0 39.8 24.4 51.7 6 6 A S G < S+ 0 0 91 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.935 88.4 43.3 -70.2 -47.0 43.3 22.9 51.9 7 7 A S G < S+ 0 0 108 -3,-1.3 2,-0.9 -4,-0.2 -1,-0.2 0.315 89.0 129.9 -79.7 13.3 42.9 20.9 48.6 8 8 A L < + 0 0 120 -3,-0.6 2,-0.2 -4,-0.1 -3,-0.1 -0.586 31.2 174.8 -86.2 104.6 41.3 23.9 47.0 9 9 A E - 0 0 165 -2,-0.9 2,-0.2 1,-0.0 -2,-0.0 -0.517 31.1-112.3 -91.1 162.7 42.8 25.0 43.7 10 10 A N - 0 0 126 -2,-0.2 2,-0.4 1,-0.0 -1,-0.0 -0.678 34.1-128.6 -94.3 157.3 41.5 27.7 41.4 11 11 A I - 0 0 129 -2,-0.2 2,-0.5 0, 0.0 -1,-0.0 -0.853 8.2-123.2-117.2 141.0 39.9 26.9 38.0 12 12 A E - 0 0 183 -2,-0.4 3,-0.1 1,-0.0 2,-0.1 -0.665 39.2-151.9 -68.4 119.3 40.2 27.9 34.4 13 13 A V - 0 0 70 -2,-0.5 5,-0.1 1,-0.2 -1,-0.0 -0.275 29.5 -66.5 -86.2 176.3 36.8 29.1 33.3 14 14 A D >> - 0 0 53 1,-0.1 3,-2.8 -2,-0.1 4,-1.3 -0.265 49.1-106.0 -61.1 149.7 35.1 29.1 29.8 15 15 A N H 3> S+ 0 0 50 1,-0.3 4,-1.0 2,-0.2 5,-0.2 0.818 118.1 69.1 -40.4 -38.3 36.5 31.3 27.0 16 16 A I H 3> S+ 0 0 38 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.622 105.1 37.1 -62.2 -20.4 33.5 33.5 27.6 17 17 A L H <> S+ 0 0 85 -3,-2.8 4,-2.8 2,-0.2 5,-0.2 0.788 101.3 64.9-106.6 -37.5 34.7 34.7 31.0 18 18 A K H X S+ 0 0 88 -4,-1.3 4,-1.4 1,-0.2 -2,-0.2 0.827 113.9 43.4 -49.3 -30.1 38.5 35.0 30.7 19 19 A T H X S+ 0 0 2 -4,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.857 105.5 57.8 -85.2 -42.4 37.4 37.7 28.3 20 20 A A H X S+ 0 0 48 -4,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.891 108.4 50.3 -56.4 -41.6 34.6 39.2 30.5 21 21 A R H >< S+ 0 0 179 -4,-2.8 3,-0.5 1,-0.2 -2,-0.2 0.995 110.5 50.2 -49.5 -64.8 37.3 39.8 33.0 22 22 A E H >< S+ 0 0 50 -4,-1.4 3,-1.5 1,-0.2 4,-0.3 0.778 101.7 59.3 -51.7 -41.0 39.4 41.5 30.4 23 23 A F H >< S+ 0 0 29 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.964 116.0 33.8 -55.7 -52.0 36.8 43.9 29.1 24 24 A K T << S+ 0 0 164 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 -0.135 104.5 77.4 -98.4 39.4 36.3 45.6 32.5 25 25 A E T < S+ 0 0 134 -3,-1.5 2,-0.3 -2,-0.2 -1,-0.2 0.320 79.2 73.9-127.8 4.1 40.0 45.2 33.7 26 26 A D S < S- 0 0 70 -3,-0.6 5,-0.1 -4,-0.3 346,-0.0 -0.860 72.0-128.2-123.0 161.6 41.8 48.0 31.8 27 27 A T S S+ 0 0 140 -2,-0.3 4,-0.1 2,-0.0 -1,-0.1 0.814 70.8 107.1 -72.3 -37.5 42.0 51.8 32.0 28 28 A C - 0 0 43 2,-0.1 3,-0.3 1,-0.0 2,-0.2 -0.157 54.5-152.7 -53.6 127.5 41.2 52.8 28.3 29 29 A E S S+ 0 0 176 1,-0.2 3,-0.1 2,-0.0 343,-0.1 -0.512 83.5 58.6 -83.5 170.0 37.8 54.3 27.5 30 30 A E S S+ 0 0 122 1,-0.3 -1,-0.2 -2,-0.2 2,-0.2 0.691 77.3 157.1 67.5 18.7 36.7 53.6 23.9 31 31 A K - 0 0 42 -3,-0.3 2,-0.4 -4,-0.1 -1,-0.3 -0.538 35.5-136.5 -66.7 141.9 37.0 50.0 25.0 32 32 A I E -a 373 0A 3 340,-3.5 342,-2.7 -2,-0.2 2,-0.8 -0.945 8.3-151.2-118.3 133.3 34.9 47.8 22.7 33 33 A N E +a 374 0A 27 -2,-0.4 342,-0.1 352,-0.2 340,-0.1 -0.806 36.2 142.8-105.3 91.5 32.7 45.0 23.8 34 34 A L + 0 0 2 340,-1.6 348,-1.9 -2,-0.8 342,-0.5 0.025 64.3 59.0-122.2 30.7 32.2 42.2 21.2 35 35 A S S S+ 0 0 2 340,-0.2 340,-0.1 346,-0.2 -15,-0.1 0.632 70.7 111.9-126.8 -35.3 32.1 39.0 23.3 36 36 A I - 0 0 48 1,-0.1 340,-0.1 346,-0.1 -20,-0.0 -0.126 65.8-135.5 -47.4 133.6 29.2 39.5 25.7 37 37 A G S S+ 0 0 20 -21,-0.1 -1,-0.1 2,-0.1 317,-0.0 0.695 79.0 95.0 -63.9 -19.4 26.2 37.2 25.1 38 38 A V S S- 0 0 42 1,-0.1 2,-0.5 344,-0.0 346,-0.1 -0.180 78.2-118.1 -75.8 164.0 23.9 40.3 25.6 39 39 A C - 0 0 1 8,-0.1 8,-1.5 345,-0.1 2,-0.2 -0.917 29.4-139.0-107.3 127.1 22.5 42.5 22.9 40 40 A C B -B 46 0B 7 -2,-0.5 6,-0.2 6,-0.2 346,-0.1 -0.570 6.8-131.7 -92.2 147.1 23.5 46.2 22.9 41 41 A N > - 0 0 57 4,-2.8 3,-1.1 -2,-0.2 -1,-0.1 0.038 42.9 -86.0 -74.1-173.0 21.4 49.4 22.3 42 42 A D T 3 S+ 0 0 102 1,-0.2 346,-0.1 2,-0.1 -1,-0.1 0.851 132.6 53.1 -63.1 -35.9 22.3 52.3 20.0 43 43 A D T 3 S- 0 0 130 2,-0.2 -1,-0.2 3,-0.1 3,-0.1 0.164 120.4-110.9 -86.9 14.9 24.2 53.8 23.0 44 44 A G S < S+ 0 0 31 -3,-1.1 2,-0.3 1,-0.2 -2,-0.1 0.683 83.6 114.4 62.9 19.4 26.2 50.6 23.4 45 45 A D S S- 0 0 85 1,-0.1 -4,-2.8 -6,-0.0 -1,-0.2 -0.852 78.0 -63.8-117.7 159.9 24.5 49.8 26.7 46 46 A L B -B 40 0B 95 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 0.076 54.5-121.3 -49.6 144.1 22.1 46.9 27.5 47 47 A H + 0 0 27 -8,-1.5 2,-0.2 -6,-0.1 -1,-0.1 -0.437 30.4 171.5 -84.8 154.6 18.8 46.6 25.7 48 48 A I - 0 0 81 -2,-0.1 204,-0.1 205,-0.1 205,-0.0 -0.850 23.3-130.7-161.6 135.6 15.2 46.6 27.0 49 49 A F > - 0 0 0 202,-0.4 4,-0.6 -2,-0.2 261,-0.1 -0.046 13.8-134.0 -67.6 173.3 11.7 46.7 25.5 50 50 A D H > S+ 0 0 98 2,-0.2 4,-2.3 259,-0.1 5,-0.2 0.747 107.0 60.5 -95.9 -37.8 8.8 49.0 26.5 51 51 A S H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.893 107.7 47.3 -48.2 -44.0 6.3 46.1 26.4 52 52 A V H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.906 109.0 51.1 -69.7 -44.3 8.5 44.5 29.1 53 53 A L H X S+ 0 0 80 -4,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.820 114.4 46.7 -59.8 -31.7 8.7 47.6 31.2 54 54 A N H X S+ 0 0 52 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.886 107.3 53.7 -79.6 -41.4 4.9 47.7 31.0 55 55 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.930 108.0 54.8 -53.5 -44.3 4.5 44.1 31.8 56 56 A D H X S+ 0 0 55 -4,-2.5 4,-1.4 2,-0.2 3,-0.4 0.959 111.1 41.7 -52.8 -58.0 6.6 44.9 34.9 57 57 A K H >< S+ 0 0 134 -4,-1.7 3,-0.9 1,-0.2 4,-0.3 0.964 112.1 55.5 -53.0 -57.9 4.3 47.7 36.0 58 58 A L H >X S+ 0 0 64 -4,-3.3 4,-1.0 1,-0.2 3,-0.9 0.805 106.3 54.1 -40.3 -39.6 1.2 45.6 35.1 59 59 A V H 3X S+ 0 0 7 -4,-2.0 4,-0.7 -3,-0.4 3,-0.3 0.844 103.5 50.5 -73.7 -36.4 2.5 42.8 37.4 60 60 A T H << S+ 0 0 97 -4,-1.4 -1,-0.2 -3,-0.9 -2,-0.2 0.311 111.9 54.1 -85.5 11.9 3.0 44.9 40.6 61 61 A E H <4 S+ 0 0 139 -3,-0.9 -2,-0.2 -4,-0.3 -1,-0.2 0.655 111.3 38.3-108.4 -29.3 -0.6 46.1 40.0 62 62 A N H < S+ 0 0 85 -4,-1.0 2,-0.4 -3,-0.3 -2,-0.2 0.440 111.3 58.6-106.6 -2.5 -2.4 42.8 39.8 63 63 A Y < + 0 0 78 -4,-0.7 -1,-0.1 1,-0.1 3,-0.1 -0.994 35.8 154.2-140.8 130.4 -0.6 40.8 42.4 64 64 A K + 0 0 173 -2,-0.4 2,-0.2 -3,-0.0 -1,-0.1 0.617 63.8 70.4-124.7 -34.7 0.0 41.2 46.1 65 65 A E - 0 0 137 1,-0.0 -1,-0.0 2,-0.0 0, 0.0 -0.567 62.6-154.7 -81.8 151.1 0.5 37.7 47.4 66 66 A K + 0 0 180 -2,-0.2 2,-0.1 -3,-0.1 225,-0.1 -0.656 22.2 178.3-129.1 79.3 3.7 35.7 46.6 67 67 A P - 0 0 63 0, 0.0 2,-0.1 0, 0.0 224,-0.1 -0.388 35.8 -98.7 -79.2 152.8 3.0 31.9 46.7 68 68 A Y - 0 0 200 -2,-0.1 2,-0.8 1,-0.1 222,-0.1 -0.464 42.3-113.9 -56.7 137.4 5.2 28.9 46.1 69 69 A L > - 0 0 23 220,-0.5 3,-1.5 -2,-0.1 -1,-0.1 -0.732 31.0-171.2 -85.5 110.1 4.7 27.4 42.5 70 70 A L T 3 S+ 0 0 181 -2,-0.8 -1,-0.1 1,-0.4 4,-0.1 0.667 81.8 54.1 -47.1 -54.1 3.1 23.9 43.0 71 71 A G T 3 S- 0 0 18 2,-0.4 -1,-0.4 -3,-0.0 31,-0.1 -0.404 100.8-122.0 141.2 -64.2 3.5 23.6 40.1 72 72 A N S < S- 0 0 4 -3,-1.5 30,-3.5 215,-0.1 2,-0.2 0.801 100.7 -5.7 51.9 33.1 6.9 24.2 38.4 73 73 A G S S- 0 0 12 28,-0.2 -2,-0.4 216,-0.1 2,-0.1 -0.759 87.1 -89.8 137.9 174.6 5.0 26.7 36.4 74 74 A T > - 0 0 29 -2,-0.2 4,-0.6 -4,-0.1 28,-0.0 -0.268 31.9-110.6-101.2-169.1 1.4 28.0 35.9 75 75 A E H > S+ 0 0 136 2,-0.2 4,-0.6 -2,-0.1 5,-0.2 0.769 120.1 45.2 -92.1 -38.3 -1.4 26.9 33.6 76 76 A D H >> S+ 0 0 74 2,-0.2 4,-3.4 3,-0.2 3,-0.6 0.893 111.8 54.0 -67.5 -45.2 -1.2 30.2 31.5 77 77 A F H 3> S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 5,-0.4 0.949 108.7 48.0 -52.2 -52.7 2.6 29.9 31.4 78 78 A S H 3< S+ 0 0 32 -4,-0.6 4,-0.2 1,-0.2 -1,-0.2 0.616 122.2 34.0 -73.4 -11.3 2.5 26.4 30.0 79 79 A T H X S+ 0 0 0 -4,-2.1 3,-1.1 -5,-0.5 4,-0.7 0.923 108.3 51.1 -61.4 -51.4 4.6 29.8 26.2 82 82 A Q H 3> S+ 0 0 8 -5,-0.4 4,-2.7 1,-0.3 5,-0.3 0.718 95.9 71.4 -70.7 -18.1 4.1 26.8 24.0 83 83 A N H 3X S+ 0 0 45 -4,-1.3 4,-2.5 -3,-0.3 -1,-0.3 0.948 93.7 58.2 -51.9 -46.6 2.1 28.8 21.6 84 84 A L H << S+ 0 0 12 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.829 115.1 32.5 -59.2 -36.5 5.3 30.5 20.6 85 85 A I H < S+ 0 0 0 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.880 130.1 31.9 -90.5 -38.3 7.1 27.3 19.6 86 86 A F H < S- 0 0 4 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.442 97.6-147.5 -99.2 -1.3 4.2 25.2 18.2 87 87 A G < - 0 0 1 -4,-2.5 -1,-0.3 -5,-0.3 2,-0.3 -0.395 40.5 -27.9 75.8-150.8 2.2 28.1 16.9 88 88 A N S S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.1 2,-0.1 -0.890 117.7 13.0-160.6 134.3 -1.6 28.0 16.8 89 89 A N S S- 0 0 137 -2,-0.3 -1,-0.3 1,-0.1 2,-0.3 0.605 76.8-174.1-100.2 164.0 -3.3 25.9 16.6 90 90 A S > - 0 0 4 -3,-0.2 4,-0.8 1,-0.1 5,-0.1 -0.761 35.0-139.9-112.1 149.0 -1.5 22.7 17.2 91 91 A K T 4 S+ 0 0 153 -2,-0.3 4,-0.2 1,-0.1 -1,-0.1 0.770 111.3 44.8 -63.9 -30.4 -2.3 19.0 17.1 92 92 A Y T 4>S+ 0 0 3 2,-0.1 5,-2.3 -6,-0.1 6,-0.5 0.870 106.8 54.8 -84.7 -44.0 -0.2 18.8 20.2 93 93 A I T >45S+ 0 0 30 1,-0.2 3,-1.8 3,-0.2 5,-0.2 0.974 111.5 36.2 -62.2 -64.6 -1.3 21.7 22.4 94 94 A E T 3<5S+ 0 0 107 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.605 111.7 62.6 -73.2 -9.7 -5.1 21.3 22.8 95 95 A D T 3 5S- 0 0 82 -4,-0.2 -1,-0.3 -5,-0.1 -2,-0.2 0.206 110.8-123.5 -91.5 13.0 -4.8 17.5 22.9 96 96 A K T < 5 + 0 0 132 -3,-1.8 175,-0.2 1,-0.1 -3,-0.2 0.863 69.7 134.6 45.4 49.8 -2.7 18.0 26.1 97 97 A K < + 0 0 40 -5,-2.3 168,-3.1 -4,-0.1 2,-0.5 0.573 46.5 80.3-101.6 -13.0 0.3 16.1 24.7 98 98 A I E -C 264 0C 8 -6,-0.5 2,-0.7 -5,-0.2 166,-0.2 -0.849 60.1-160.0-100.6 128.1 3.0 18.6 25.7 99 99 A C E +C 263 0C 2 164,-2.7 164,-2.3 -2,-0.5 2,-0.3 -0.931 22.0 178.5 -99.8 113.2 4.3 18.6 29.3 100 100 A T E -C 262 0C 13 -2,-0.7 2,-0.3 162,-0.2 162,-0.2 -0.890 9.2-173.4-120.6 153.5 5.9 22.0 29.8 101 101 A I E -C 261 0C 2 160,-1.4 160,-1.9 -2,-0.3 2,-0.5 -0.980 27.9-112.7-145.1 145.5 7.6 23.4 32.9 102 102 A Q E +C 260 0C 4 -30,-3.5 158,-0.3 -2,-0.3 2,-0.2 -0.706 41.8 179.2 -84.4 127.3 9.1 26.8 34.0 103 103 A C E -C 259 0C 1 156,-2.8 2,-1.5 -2,-0.5 156,-1.2 -0.626 42.5 -88.9-120.5-178.0 12.9 26.8 34.4 104 104 A I E > S-C 258 0C 57 -2,-0.2 4,-1.5 154,-0.2 154,-0.3 -0.614 88.8 -59.4 -92.2 77.4 15.6 29.2 35.3 105 105 A G H > S- 0 0 0 -2,-1.5 4,-1.1 152,-1.4 154,-0.3 -0.125 83.2 -55.8 74.5-177.9 16.4 30.4 31.8 106 106 A G H >> S+ 0 0 6 152,-0.3 4,-3.0 2,-0.2 3,-0.5 0.910 140.9 53.7 -61.0 -44.4 17.5 28.2 28.9 107 107 A T H 3> S+ 0 0 52 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.910 106.4 54.1 -51.3 -48.1 20.4 26.9 31.0 108 108 A G H 3X S+ 0 0 3 -4,-1.5 4,-1.3 1,-0.2 -1,-0.3 0.783 111.6 43.4 -62.0 -29.9 17.9 26.0 33.7 109 109 A A H <>S+ 0 0 16 -4,-1.5 3,-1.9 -3,-0.3 5,-0.6 0.861 102.6 56.0 -75.7 -36.3 18.2 11.9 30.8 118 118 A K H 3<5S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.841 97.8 68.5 -60.9 -29.4 20.5 10.4 33.5 119 119 A M T 3<5S+ 0 0 77 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.694 107.2 38.5 -57.8 -23.9 17.2 9.2 34.9 120 120 A L T < 5S- 0 0 98 -3,-1.9 2,-0.8 -4,-0.2 -3,-0.1 -0.087 113.6 -69.3-110.4-155.2 16.9 6.9 31.9 121 121 A N T 5S+ 0 0 153 -2,-0.1 2,-0.7 2,-0.0 -3,-0.1 -0.530 78.3 137.8 -99.5 61.8 19.2 4.7 29.8 122 122 A V < + 0 0 23 -2,-0.8 -2,-0.1 -5,-0.6 3,-0.1 -0.874 9.8 150.7-116.7 100.1 20.9 7.7 28.2 123 123 A E + 0 0 125 -2,-0.7 22,-2.6 1,-0.2 2,-0.4 0.651 62.2 39.3-102.0 -18.3 24.7 7.1 28.0 124 124 A T E -d 145 0C 46 20,-0.2 52,-0.5 22,-0.0 2,-0.4 -0.990 58.1-165.8-143.5 137.4 25.6 9.1 25.0 125 125 A L E -de 146 176C 1 20,-2.5 22,-2.4 -2,-0.4 2,-0.4 -0.997 13.2-143.7-129.9 131.5 24.6 12.5 23.6 126 126 A Y E -de 147 177C 20 50,-2.7 52,-2.2 -2,-0.4 2,-0.3 -0.754 17.6-176.7 -94.0 140.5 25.3 13.9 20.1 127 127 A V E -de 148 178C 2 20,-2.2 22,-2.7 -2,-0.4 2,-0.3 -0.966 29.2-111.4-134.2 144.7 26.1 17.5 19.6 128 128 A T E -d 149 0C 4 50,-0.6 22,-0.2 -2,-0.3 23,-0.1 -0.607 51.7 -81.5 -82.4 141.5 26.7 19.4 16.3 129 129 A N S S+ 0 0 55 20,-3.5 23,-1.8 -2,-0.3 22,-0.1 -0.733 115.2 26.5 -90.5 133.3 30.2 20.6 15.6 130 130 A P S S- 0 0 13 0, 0.0 57,-0.3 0, 0.0 2,-0.2 0.663 93.9-158.8 -86.6 157.5 31.1 23.2 16.8 131 131 A P - 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0 0 31 -9,-3.2 4,-2.2 1,-0.2 3,-0.2 -0.803 28.1-178.8 -96.9 87.7 28.0 21.1 5.2 161 161 A Y H > S+ 0 0 14 -2,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.643 74.2 60.2 -67.6 -14.0 24.6 19.6 4.6 162 162 A D H > S+ 0 0 120 2,-0.2 4,-1.1 1,-0.1 -1,-0.2 0.952 112.8 33.2 -78.2 -52.5 26.2 16.5 3.0 163 163 A L H > S+ 0 0 73 -3,-0.2 4,-1.8 2,-0.2 -13,-0.3 0.750 113.8 61.8 -75.0 -29.0 28.3 15.4 5.9 164 164 A F H X S+ 0 0 1 -4,-2.2 4,-2.0 -13,-0.2 -1,-0.2 0.945 109.6 39.5 -61.8 -48.3 25.7 16.6 8.5 165 165 A L H < S+ 0 0 11 -4,-1.2 4,-0.5 2,-0.2 -1,-0.2 0.759 109.4 63.9 -74.2 -26.9 23.0 14.2 7.2 166 166 A N H >X S+ 0 0 83 -4,-1.1 3,-1.2 2,-0.2 4,-1.0 0.961 108.4 38.0 -53.3 -58.6 25.6 11.5 6.7 167 167 A D H >X S+ 0 0 29 -4,-1.8 4,-1.4 1,-0.3 3,-0.8 0.917 110.2 61.5 -62.6 -44.4 26.4 11.3 10.4 168 168 A L H 3< S+ 0 0 1 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.704 108.4 47.2 -52.4 -18.7 22.8 11.8 11.1 169 169 A R H <4 S+ 0 0 111 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.679 116.9 35.8 -99.6 -23.9 22.4 8.5 9.2 170 170 A N H << S+ 0 0 115 -4,-1.0 -2,-0.2 -3,-0.8 -3,-0.1 0.316 83.3 108.4-117.7 12.5 25.1 6.3 10.8 171 171 A I S < S- 0 0 15 -4,-1.4 4,-0.3 -5,-0.1 3,-0.1 -0.807 90.3 -88.3 -86.0 115.5 25.0 7.3 14.4 172 172 A P - 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