==== 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 TRANSFERASE 02-SEP-99 1CZE . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.OKAMOTO,S.OUE,T.YANO,H.KAGAMIYAMA . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 5.8 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 . 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 . 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 2 0 0 2 2 0 0 1 2 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 0 1 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 . 1 2 0 0 0 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 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 5 A M 0 0 186 0, 0.0 3,-0.5 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -44.3 41.7 14.0 14.6 2 6 A F + 0 0 168 1,-0.2 3,-0.3 2,-0.1 0, 0.0 0.248 360.0 100.0 -89.2 14.4 39.5 16.2 12.3 3 7 A E S S+ 0 0 150 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.895 89.8 33.9 -67.5 -43.9 41.4 19.5 12.7 4 8 A N S S+ 0 0 152 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.1 0.435 84.1 129.2 -93.5 -1.3 43.4 19.3 9.4 5 9 A I - 0 0 114 -3,-0.3 2,-0.2 -4,-0.1 -3,-0.0 -0.327 53.7-133.8 -57.9 130.8 40.8 17.6 7.3 6 10 A T - 0 0 123 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.592 21.2-102.2 -87.7 150.7 40.3 19.4 4.0 7 11 A T - 0 0 140 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.558 40.8-122.5 -71.1 128.4 36.9 20.2 2.5 8 12 A A - 0 0 80 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.480 28.4-106.1 -72.8 141.5 36.2 17.8 -0.3 9 13 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.425 44.1 -98.5 -67.7 143.6 35.5 19.4 -3.7 10 14 A A - 0 0 81 1,-0.1 6,-0.0 -2,-0.1 -3,-0.0 -0.264 40.2-100.3 -63.4 148.8 31.8 19.3 -4.7 11 15 A D > - 0 0 59 1,-0.1 4,-1.7 -3,-0.1 5,-0.1 -0.503 25.6-131.7 -69.6 137.5 30.7 16.5 -7.1 12 16 A P T 4 S+ 0 0 66 0, 0.0 359,-0.4 0, 0.0 -1,-0.1 0.734 103.7 25.4 -63.1 -24.9 30.3 17.8 -10.7 13 17 A I T >4 S+ 0 0 9 357,-0.1 3,-1.4 2,-0.1 4,-0.4 0.840 128.5 39.7-102.0 -59.1 26.9 16.2 -11.1 14 18 A L T >> S+ 0 0 102 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.750 103.6 71.2 -63.6 -27.4 25.5 16.0 -7.5 15 19 A G H 3X S+ 0 0 6 -4,-1.7 4,-1.6 1,-0.2 3,-0.3 0.716 85.0 69.1 -63.7 -21.0 26.9 19.4 -6.6 16 20 A L H <> S+ 0 0 9 -3,-1.4 4,-2.8 1,-0.2 5,-0.3 0.844 88.0 64.8 -65.8 -34.3 24.3 21.0 -8.9 17 21 A A H <> S+ 0 0 40 -3,-1.1 4,-1.9 -4,-0.4 -1,-0.2 0.876 105.2 44.1 -56.2 -41.3 21.5 20.1 -6.5 18 22 A D H X S+ 0 0 93 -4,-0.6 4,-2.0 -3,-0.3 -1,-0.2 0.940 113.2 47.7 -72.9 -47.1 23.0 22.3 -3.8 19 23 A L H < S+ 0 0 75 -4,-1.6 4,-0.4 1,-0.2 3,-0.2 0.935 115.9 47.5 -57.2 -46.0 23.7 25.3 -5.9 20 24 A L H >< S+ 0 0 21 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.887 107.8 55.4 -60.9 -42.5 20.2 24.9 -7.3 21 25 A R H 3< S+ 0 0 188 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.830 109.9 46.9 -62.1 -33.2 18.8 24.6 -3.8 22 26 A A T 3< S+ 0 0 68 -4,-2.0 2,-0.9 -3,-0.2 -1,-0.3 0.438 90.0 95.0 -90.0 -0.8 20.4 27.9 -2.8 23 27 A D < - 0 0 22 -3,-1.2 5,-0.1 -4,-0.4 -1,-0.1 -0.816 52.8-171.9 -96.3 107.0 19.2 29.8 -5.9 24 28 A E + 0 0 191 -2,-0.9 -1,-0.1 2,-0.0 -4,-0.0 0.415 44.2 121.6 -78.0 1.4 16.0 31.6 -5.1 25 29 A R > - 0 0 87 1,-0.1 3,-0.7 2,-0.1 -2,-0.1 -0.513 58.4-142.8 -69.6 130.1 15.2 32.6 -8.7 26 30 A P T 3 S+ 0 0 134 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.869 89.5 60.5 -59.9 -48.0 11.8 31.3 -9.8 27 31 A G T 3 S+ 0 0 58 2,-0.1 2,-0.1 340,-0.0 -2,-0.1 -0.020 72.5 154.3 -78.8 36.3 12.5 30.4 -13.5 28 32 A K < - 0 0 78 -2,-0.7 2,-0.6 -3,-0.7 339,-0.2 -0.398 29.5-157.6 -66.8 134.7 15.2 27.9 -12.7 29 33 A I E -a 367 0A 14 337,-2.5 339,-3.5 -2,-0.1 2,-0.8 -0.968 2.7-155.9-117.8 115.9 15.7 25.2 -15.3 30 34 A D E +a 368 0A 68 -2,-0.6 339,-0.1 337,-0.2 337,-0.1 -0.824 32.4 150.4 -97.6 104.7 17.4 22.0 -14.0 31 35 A L + 0 0 0 337,-3.0 345,-1.7 -2,-0.8 339,-0.4 -0.059 47.2 100.9-117.7 27.6 19.1 20.1 -16.8 32 36 A G + 0 0 1 337,-0.2 338,-0.2 343,-0.2 -18,-0.1 0.891 66.5 33.4 -80.6-102.3 21.8 18.6 -14.6 33 37 A M S S- 0 0 56 -20,-0.3 2,-1.8 1,-0.1 -1,-0.1 -0.288 89.0-103.1 -63.8 143.9 21.7 15.1 -13.2 34 38 A G + 0 0 10 -3,-0.0 2,-0.3 341,-0.0 -1,-0.1 -0.473 66.8 133.1 -72.7 76.6 20.1 12.5 -15.5 35 39 A V - 0 0 36 -2,-1.8 2,-0.2 312,-0.1 211,-0.1 -0.891 57.3-107.3-119.5 150.6 16.6 11.7 -14.2 36 40 A Y - 0 0 22 -2,-0.3 2,-0.3 210,-0.1 343,-0.1 -0.569 31.1-169.4 -80.6 142.6 13.5 11.6 -16.3 37 41 A N - 0 0 26 341,-1.4 6,-0.2 -2,-0.2 2,-0.1 -0.946 15.1-134.8-125.6 146.5 10.9 14.4 -16.2 38 42 A D > - 0 0 18 4,-2.8 3,-2.9 -2,-0.3 4,-0.1 -0.378 45.6 -77.3 -92.3-178.4 7.5 14.2 -17.7 39 43 A E T 3 S+ 0 0 112 1,-0.3 344,-0.4 2,-0.1 -1,-0.0 0.754 133.4 52.4 -51.3 -25.6 5.8 16.9 -19.8 40 44 A T T 3 S- 0 0 83 2,-0.1 -1,-0.3 341,-0.1 3,-0.1 0.460 118.8-108.2 -91.1 -2.9 5.0 18.8 -16.6 41 45 A G S < S+ 0 0 38 -3,-2.9 2,-0.3 1,-0.3 -2,-0.1 0.785 79.1 123.3 82.7 25.6 8.6 18.7 -15.3 42 46 A K - 0 0 114 -4,-0.1 -4,-2.8 2,-0.0 -1,-0.3 -0.837 59.4-138.4-114.6 155.8 8.0 16.2 -12.5 43 47 A T - 0 0 73 -2,-0.3 -6,-0.1 -6,-0.2 -7,-0.0 -0.837 36.6-167.8-115.4 85.7 9.8 12.9 -12.1 44 48 A P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 -8,-0.1 -0.226 26.3-106.4 -74.5 160.3 6.9 10.5 -11.2 45 49 A V - 0 0 68 1,-0.1 204,-0.1 205,-0.0 205,-0.1 -0.771 48.0-107.3 -88.6 125.5 6.8 7.0 -9.9 46 50 A L > - 0 0 17 -2,-0.5 4,-2.3 202,-0.4 5,-0.1 -0.226 15.6-127.6 -52.5 145.7 5.8 4.6 -12.6 47 51 A T H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.848 112.0 56.1 -64.5 -35.4 2.3 3.1 -12.4 48 52 A S H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.894 108.9 49.3 -63.8 -35.5 3.7 -0.3 -12.9 49 53 A V H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.926 108.0 51.2 -69.0 -48.3 5.9 0.4 -9.8 50 54 A K H X S+ 0 0 118 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.954 110.7 50.2 -54.6 -48.3 3.0 1.7 -7.7 51 55 A K H X S+ 0 0 109 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.873 109.5 50.1 -59.4 -38.6 1.1 -1.5 -8.5 52 56 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.891 109.6 53.6 -66.5 -37.2 4.1 -3.7 -7.5 53 57 A E H X S+ 0 0 50 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.813 107.0 48.3 -67.6 -34.8 4.3 -1.7 -4.3 54 58 A Q H X S+ 0 0 97 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.899 110.7 53.5 -70.7 -40.1 0.6 -2.4 -3.4 55 59 A Y H X S+ 0 0 121 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.956 111.4 44.7 -56.8 -50.6 1.2 -6.0 -4.1 56 60 A L H X S+ 0 0 16 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.907 110.0 55.3 -60.7 -44.0 4.2 -6.0 -1.8 57 61 A L H < S+ 0 0 131 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.934 115.0 40.0 -54.5 -46.2 2.3 -4.1 0.9 58 62 A E H < S+ 0 0 127 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.781 127.3 29.1 -76.6 -29.6 -0.4 -6.8 0.8 59 63 A N H < S+ 0 0 92 -4,-2.3 2,-0.4 -5,-0.2 -2,-0.2 0.574 84.2 107.3-112.1 -9.1 1.7 -9.9 0.5 60 64 A E < + 0 0 68 -4,-2.8 3,-0.1 -5,-0.2 -4,-0.0 -0.585 37.4 175.6 -72.3 121.3 5.0 -9.2 2.2 61 66 A T + 0 0 138 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.503 58.8 22.7-107.2 -5.0 5.0 -11.2 5.4 62 67 A T - 0 0 93 2,-0.1 -1,-0.1 1,-0.0 0, 0.0 -0.974 46.6-152.7-154.0 165.7 8.6 -10.6 6.7 63 68 A K + 0 0 162 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 0.013 48.1 148.3-127.1 19.6 11.5 -8.2 6.5 64 69 A N - 0 0 121 1,-0.1 -2,-0.1 2,-0.1 0, 0.0 -0.205 59.5 -70.8 -60.4 150.7 14.1 -10.8 7.3 65 70 A Y - 0 0 195 1,-0.1 -1,-0.1 220,-0.0 3,-0.1 0.022 39.5-138.2 -42.1 148.1 17.6 -10.5 5.8 66 71 A L - 0 0 48 220,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.578 38.7-103.9 -91.1 -13.8 18.0 -11.2 2.1 67 72 A G > - 0 0 38 1,-0.1 3,-2.6 2,-0.1 -1,-0.1 0.212 43.6 -81.9 92.8 134.2 21.2 -13.2 1.7 68 73 A I T 3 S+ 0 0 51 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.781 130.7 42.2 -41.2 -44.2 24.4 -11.6 0.4 69 74 A D T 3 S- 0 0 47 1,-0.3 30,-2.5 29,-0.1 -1,-0.3 0.485 106.0-141.3 -86.4 -4.0 23.5 -11.8 -3.3 70 75 A G < + 0 0 4 -3,-2.6 -1,-0.3 28,-0.2 218,-0.1 -0.459 55.2 8.1 86.8-154.4 19.9 -10.8 -2.7 71 76 A I > - 0 0 19 -2,-0.2 4,-2.1 1,-0.2 3,-0.5 -0.596 57.9-153.7 -73.2 113.8 16.6 -11.9 -4.3 72 77 A P H > S+ 0 0 74 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.870 94.8 53.0 -52.8 -47.7 17.3 -15.0 -6.5 73 78 A E H > S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.857 108.0 52.4 -58.0 -39.2 14.3 -14.3 -8.8 74 79 A F H > S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.935 107.3 51.6 -63.3 -47.2 15.6 -10.8 -9.3 75 80 A G H X S+ 0 0 11 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.889 111.6 46.8 -57.9 -42.9 19.0 -12.1 -10.3 76 81 A R H X S+ 0 0 146 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.903 109.3 53.1 -67.1 -43.4 17.6 -14.5 -12.9 77 82 A C H X S+ 0 0 29 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.867 109.5 49.4 -61.4 -36.7 15.3 -11.9 -14.5 78 83 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.867 104.9 58.7 -71.9 -34.1 18.2 -9.5 -15.0 79 84 A Q H X>S+ 0 0 20 -4,-1.5 4,-3.1 1,-0.2 5,-0.6 0.874 108.6 44.6 -61.7 -37.8 20.3 -12.3 -16.6 80 85 A E H X5S+ 0 0 80 -4,-1.6 4,-0.7 3,-0.2 5,-0.3 0.787 110.6 53.9 -76.2 -30.4 17.6 -12.8 -19.3 81 86 A L H <5S+ 0 0 3 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.895 120.7 33.7 -67.4 -39.1 17.3 -9.0 -19.8 82 87 A L H <5S+ 0 0 1 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.936 134.3 20.8 -80.1 -56.4 21.0 -8.9 -20.3 83 88 A F H <5S- 0 0 10 -4,-3.1 -3,-0.2 -5,-0.2 5,-0.1 0.665 109.0-109.9 -91.3 -21.8 22.0 -12.1 -22.1 84 89 A G ><< - 0 0 6 -4,-0.7 3,-2.3 -5,-0.6 6,-0.2 0.171 33.8 -72.5 101.1 144.4 18.6 -13.2 -23.5 85 90 A K T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -5,-0.3 -4,-0.1 0.770 128.8 28.2 -33.8 -58.1 16.1 -16.0 -22.8 86 91 A G T 3 S+ 0 0 56 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 -0.146 85.5 156.0-105.7 40.3 18.1 -18.9 -24.2 87 92 A S <> - 0 0 22 -3,-2.3 4,-2.0 1,-0.1 3,-0.3 -0.357 48.4-131.3 -65.9 145.3 21.6 -17.5 -23.6 88 93 A A H > S+ 0 0 59 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.872 106.6 60.7 -63.7 -36.6 24.3 -20.1 -23.4 89 94 A L H 4>S+ 0 0 3 2,-0.2 5,-2.3 1,-0.2 6,-0.8 0.866 106.4 45.8 -59.3 -39.2 25.6 -18.4 -20.2 90 95 A I H >45S+ 0 0 35 -3,-0.3 3,-0.9 -6,-0.2 -2,-0.2 0.961 117.1 42.5 -69.8 -49.6 22.3 -19.1 -18.5 91 96 A N H 3<5S+ 0 0 106 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.737 116.0 46.9 -71.4 -25.6 22.0 -22.7 -19.6 92 97 A D T 3<5S- 0 0 97 -4,-2.6 173,-0.5 -5,-0.2 -1,-0.3 0.423 108.5-127.3 -91.7 -1.8 25.7 -23.5 -18.9 93 98 A K T < 5 + 0 0 142 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.886 64.1 139.6 56.4 45.3 25.3 -21.8 -15.5 94 99 A R < + 0 0 28 -5,-2.3 168,-1.7 -6,-0.2 2,-0.4 0.443 48.9 75.4 -94.8 -3.7 28.3 -19.6 -16.2 95 100 A A E -B 261 0B 10 -6,-0.8 2,-0.4 166,-0.2 166,-0.2 -0.938 52.6-173.7-119.7 135.4 26.8 -16.5 -14.7 96 101 A R E -B 260 0B 64 164,-1.9 164,-2.7 -2,-0.4 2,-0.4 -0.996 13.3-159.6-124.8 124.9 26.3 -15.5 -11.1 97 102 A T E -B 259 0B 14 -2,-0.4 2,-0.4 162,-0.2 162,-0.2 -0.883 4.7-162.4-111.6 136.2 24.4 -12.3 -10.3 98 103 A A E -B 258 0B 0 160,-2.4 160,-1.8 -2,-0.4 2,-0.4 -0.949 21.1-128.6-117.0 132.7 24.4 -10.2 -7.1 99 104 A Q E -B 257 0B 2 -30,-2.5 158,-0.3 -2,-0.4 156,-0.1 -0.687 38.4-176.9 -76.3 132.0 21.8 -7.7 -6.2 100 105 A T E -B 256 0B 0 156,-2.2 2,-1.7 -2,-0.4 156,-1.4 -0.772 39.5 -90.9-128.9 170.2 23.6 -4.4 -5.3 101 106 A P E > S-B 255 0B 31 0, 0.0 4,-1.0 0, 0.0 154,-0.3 -0.613 91.5 -50.8 -81.7 76.6 22.7 -0.9 -4.0 102 107 A G H > S- 0 0 0 -2,-1.7 4,-1.2 152,-0.7 154,-0.3 -0.114 79.7 -62.9 84.1 176.3 22.4 0.7 -7.4 103 108 A G H > S+ 0 0 9 152,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.836 134.0 56.2 -69.3 -31.7 24.6 0.7 -10.5 104 109 A T H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.913 104.6 51.3 -66.7 -42.7 27.3 2.6 -8.5 105 110 A G H X S+ 0 0 14 -4,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.851 107.5 55.5 -61.9 -32.6 27.3 -0.1 -5.8 106 111 A A H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.913 108.8 45.8 -65.2 -43.4 27.8 -2.6 -8.6 107 112 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.872 113.9 49.3 -67.7 -38.3 30.9 -0.8 -9.9 108 113 A R H X S+ 0 0 96 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.892 110.5 49.4 -67.3 -44.3 32.3 -0.6 -6.4 109 114 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.925 112.4 48.0 -61.8 -44.0 31.7 -4.3 -5.6 110 115 A A H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.932 112.3 50.0 -62.6 -45.7 33.4 -5.3 -8.9 111 116 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.886 112.3 45.3 -60.8 -44.0 36.3 -3.0 -8.2 112 117 A D H X S+ 0 0 35 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.905 114.5 50.5 -66.2 -42.5 36.8 -4.3 -4.7 113 118 A F H X S+ 0 0 16 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.961 115.3 41.9 -59.1 -50.7 36.5 -7.8 -6.0 114 119 A L H X S+ 0 0 4 -4,-3.2 4,-2.1 1,-0.2 6,-0.4 0.955 111.8 53.7 -60.5 -55.0 39.1 -7.2 -8.8 115 120 A A H < S+ 0 0 31 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.838 120.7 31.1 -49.8 -43.0 41.5 -5.3 -6.6 116 121 A K H < S+ 0 0 104 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.624 126.1 37.6 -96.9 -13.1 41.8 -8.0 -4.0 117 122 A N H < S+ 0 0 57 -4,-1.8 2,-0.2 -3,-0.4 -3,-0.2 0.493 113.5 36.6-117.1 -5.9 41.2 -11.2 -6.0 118 123 A T S < S- 0 0 64 -4,-2.1 0, 0.0 -5,-0.2 0, 0.0 -0.790 82.9-104.9-134.8-179.8 43.0 -10.8 -9.3 119 124 A S + 0 0 109 -2,-0.2 2,-0.1 -3,-0.0 -4,-0.1 0.220 67.1 140.5 -94.6 16.9 46.1 -9.2 -10.7 120 125 A V + 0 0 9 -6,-0.4 -2,-0.1 1,-0.2 53,-0.1 -0.390 12.3 156.5 -63.7 130.9 44.2 -6.2 -12.2 121 126 A R + 0 0 133 1,-0.3 22,-2.8 51,-0.2 2,-0.4 0.569 58.2 49.3-124.8 -31.0 46.0 -2.9 -11.8 122 129 A R E -c 143 0B 33 20,-0.2 52,-2.4 50,-0.2 2,-0.4 -0.934 53.6-168.2-123.5 144.6 44.6 -0.8 -14.6 123 133 A V E -cd 144 174B 0 20,-2.2 22,-2.8 -2,-0.4 2,-0.6 -0.995 17.7-142.3-128.1 129.0 41.1 0.0 -15.8 124 134 A W E -cd 145 175B 2 50,-2.7 52,-2.7 -2,-0.4 2,-0.4 -0.849 20.7-176.8 -97.3 121.7 40.5 1.8 -19.1 125 135 A V E -c 146 0B 0 20,-2.9 22,-1.8 -2,-0.6 52,-0.1 -0.905 27.9-107.1-117.9 144.7 37.7 4.3 -19.2 126 136 A S E -c 147 0B 0 -2,-0.4 22,-0.2 50,-0.3 23,-0.1 -0.228 39.5 -95.4 -67.7 160.5 36.6 6.3 -22.3 127 137 A N E S+c 148 0B 82 20,-1.6 23,-1.6 1,-0.1 22,-0.7 -0.971 112.1 21.5-120.9 110.5 37.3 10.0 -22.8 128 138 A P S S+ 0 0 29 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.641 90.3 149.7 -88.5-178.5 34.9 11.4 -21.8 129 139 A S - 0 0 12 -2,-0.1 -4,-0.0 -4,-0.1 -2,-0.0 -0.893 57.2 -56.6-155.5 176.8 32.9 9.3 -19.4 130 140 A W > - 0 0 46 53,-0.4 3,-1.9 -2,-0.3 4,-0.4 -0.537 54.5-129.7 -61.7 126.0 30.7 9.5 -16.3 131 141 A P T >> S+ 0 0 46 0, 0.0 4,-0.9 0, 0.0 3,-0.7 0.815 101.8 62.2 -50.0 -39.7 32.8 11.4 -13.8 132 142 A N H 3> S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.582 84.7 78.8 -68.9 -9.9 32.3 9.0 -11.0 133 143 A H H <> S+ 0 0 0 -3,-1.9 4,-2.1 2,-0.2 5,-0.2 0.949 94.8 44.9 -62.5 -50.4 34.0 6.1 -12.9 134 144 A K H <> S+ 0 0 44 -3,-0.7 4,-2.8 -4,-0.4 5,-0.2 0.951 114.6 50.6 -58.2 -48.8 37.5 7.3 -12.2 135 145 A S H X S+ 0 0 65 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.912 107.9 51.0 -55.8 -51.4 36.6 7.9 -8.5 136 146 A V H X S+ 0 0 11 -4,-2.6 4,-0.8 1,-0.2 3,-0.2 0.969 115.5 41.4 -54.9 -52.6 35.1 4.5 -8.0 137 147 A F H ><>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 3,-0.7 0.878 113.3 52.7 -66.3 -38.4 38.1 2.6 -9.4 138 148 A N H ><5S+ 0 0 89 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.857 103.6 56.7 -65.5 -35.9 40.6 4.8 -7.7 139 149 A S H 3<5S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.730 104.4 54.5 -68.0 -19.1 39.1 4.3 -4.3 140 150 A A T <<5S- 0 0 17 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.460 125.6-105.5 -89.6 -3.8 39.5 0.6 -4.8 141 151 A G T < 5S+ 0 0 47 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.411 75.2 137.6 95.0 0.9 43.2 1.2 -5.5 142 152 A L < - 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