==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-OCT-10 3PA9 . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.LIU,E.POZHARSKI,M.FU,R.B.SILVERMAN,D.RINGE . 395 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18294.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 69.9 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 . 21 5.3 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 . 3 0.8 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 . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 3 0 0 1 2 1 0 2 1 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 . 0 1 1 0 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 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 2 A F > 0 0 211 0, 0.0 3,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.9 38.9 15.2 13.1 2 3 A E T 3 + 0 0 169 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.758 360.0 38.9 -61.5 -26.8 40.2 18.6 13.7 3 4 A N T 3 S+ 0 0 144 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.285 79.5 132.6-109.4 10.3 42.4 18.8 10.6 4 5 A I < - 0 0 125 -3,-1.5 2,-0.3 1,-0.1 0, 0.0 -0.389 54.5-129.1 -64.8 132.9 40.2 17.0 8.0 5 6 A T - 0 0 126 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.689 28.4-109.1 -81.8 136.0 40.0 18.9 4.7 6 7 A A - 0 0 88 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.303 36.4-103.2 -63.1 145.5 36.5 19.5 3.5 7 8 A A - 0 0 85 1,-0.1 3,-0.1 3,-0.0 -1,-0.1 -0.371 52.6 -82.8 -62.5 147.6 35.4 17.5 0.4 8 9 A P - 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.275 65.4 -82.2 -51.8 140.5 35.4 19.5 -2.8 9 10 A A - 0 0 96 1,-0.1 5,-0.0 -3,-0.1 -3,-0.0 -0.161 47.0-109.9 -49.0 132.5 32.1 21.5 -3.0 10 11 A D - 0 0 90 1,-0.2 5,-0.2 -3,-0.1 -1,-0.1 -0.592 28.8-162.7 -69.1 114.0 29.2 19.3 -4.4 11 12 A P S > S+ 0 0 101 0, 0.0 4,-1.2 0, 0.0 2,-0.4 0.859 81.6 56.9 -72.9 -40.1 28.6 20.8 -7.9 12 13 A I T 4 S+ 0 0 117 2,-0.2 20,-0.1 3,-0.2 357,-0.0 -0.759 110.2 38.7 -83.3 143.4 25.1 19.2 -8.3 13 14 A L T 4 S+ 0 0 80 -2,-0.4 2,-1.0 1,-0.1 0, 0.0 0.395 113.1 51.2 66.9 133.7 23.4 20.6 -5.2 14 15 A G T > S+ 0 0 26 1,-0.1 4,-3.0 -5,-0.0 -2,-0.2 -0.454 112.5 50.4 90.8 -62.0 24.8 24.1 -5.2 15 16 A L H X S+ 0 0 25 -4,-1.2 4,-2.3 -2,-1.0 -3,-0.2 0.945 116.1 41.0 -63.8 -48.3 23.6 24.1 -8.8 16 17 A A H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.890 116.6 50.6 -60.4 -41.8 20.3 22.9 -7.3 17 18 A D H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.910 110.1 48.1 -63.1 -45.6 20.8 25.3 -4.5 18 19 A L H X S+ 0 0 78 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.902 110.7 52.0 -62.9 -41.6 21.4 28.3 -6.8 19 20 A F H < S+ 0 0 41 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.918 109.6 49.6 -59.7 -45.4 18.4 27.3 -8.9 20 21 A R H < S+ 0 0 153 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.921 111.0 48.4 -57.4 -48.9 16.2 27.2 -5.8 21 22 A A H < S+ 0 0 76 -4,-2.2 2,-0.4 -5,-0.1 -1,-0.2 0.661 84.1 109.3 -70.5 -19.0 17.3 30.7 -4.6 22 23 A D < - 0 0 21 -4,-1.2 5,-0.1 -3,-0.5 -3,-0.0 -0.462 51.1-166.9 -66.8 115.4 16.8 32.3 -8.0 23 24 A E + 0 0 191 -2,-0.4 -1,-0.2 2,-0.0 -4,-0.0 0.587 48.6 114.9 -81.9 -10.8 13.8 34.6 -7.6 24 25 A R > - 0 0 85 1,-0.1 3,-1.0 2,-0.1 2,-0.1 -0.366 64.5-130.5 -67.9 132.6 13.3 35.1 -11.4 25 26 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.468 93.7 38.1 -67.4 153.5 10.1 33.8 -13.1 26 27 A G T 3 S+ 0 0 58 1,-0.3 -2,-0.1 -2,-0.1 2,-0.0 0.508 78.5 152.7 83.7 4.0 10.9 31.8 -16.2 27 28 A K < - 0 0 60 -3,-1.0 2,-0.4 -5,-0.1 -1,-0.3 -0.371 27.5-158.7 -63.9 146.3 14.0 30.1 -14.7 28 29 A I E -a 366 0A 10 337,-2.6 339,-3.0 336,-0.1 2,-0.8 -0.995 10.3-148.4-137.1 128.8 14.7 26.7 -16.2 29 30 A N E +a 367 0A 20 -2,-0.4 3,-0.3 337,-0.2 339,-0.1 -0.827 29.8 155.6-103.4 101.3 16.8 23.8 -14.8 30 31 A L + 0 0 2 337,-2.7 345,-1.9 -2,-0.8 339,-0.3 0.295 64.0 80.7 -98.0 7.4 18.5 21.7 -17.4 31 32 A G + 0 0 10 336,-0.3 -1,-0.2 337,-0.2 337,-0.1 0.382 65.6 122.8 -93.7 3.3 21.2 20.6 -14.8 32 33 A I - 0 0 20 -3,-0.3 346,-0.1 335,-0.2 345,-0.1 -0.259 53.6-151.2 -66.9 151.3 18.9 17.9 -13.3 33 34 A G S S+ 0 0 33 2,-0.1 -1,-0.1 342,-0.0 2,-0.1 0.730 70.1 69.8 -92.4 -24.3 19.9 14.2 -13.2 34 35 A V S S- 0 0 43 1,-0.1 2,-0.2 341,-0.1 343,-0.1 -0.385 86.8 -95.3 -98.1 165.8 16.5 12.6 -13.4 35 36 A Y - 0 0 18 -2,-0.1 2,-0.4 210,-0.1 -1,-0.1 -0.525 37.8-168.5 -70.8 142.3 13.7 12.2 -15.9 36 37 A K - 0 0 52 -2,-0.2 6,-0.2 6,-0.1 343,-0.1 -0.991 12.6-134.7-130.3 145.4 10.9 14.8 -15.8 37 38 A D > - 0 0 26 4,-2.9 3,-2.0 -2,-0.4 276,-0.0 -0.132 44.3 -78.4 -84.7-171.8 7.6 14.6 -17.7 38 39 A E T 3 S+ 0 0 107 1,-0.3 344,-0.2 2,-0.1 -1,-0.1 0.711 131.9 52.8 -63.3 -22.1 5.8 17.4 -19.6 39 40 A T T 3 S- 0 0 81 2,-0.1 -1,-0.3 341,-0.1 3,-0.1 0.404 119.8-106.9 -92.8 1.5 4.6 18.9 -16.4 40 41 A G S < S+ 0 0 34 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.678 79.4 127.4 82.6 16.9 8.1 19.1 -14.8 41 42 A K - 0 0 127 2,-0.0 -4,-2.9 0, 0.0 -1,-0.3 -0.744 55.4-150.1-104.7 155.9 7.4 16.2 -12.4 42 43 A T - 0 0 59 -2,-0.3 -6,-0.1 -6,-0.2 3,-0.1 -0.769 36.6-174.5-116.7 72.4 9.3 13.0 -11.7 43 44 A P - 0 0 67 0, 0.0 2,-0.4 0, 0.0 3,-0.0 -0.262 33.0 -99.4 -71.8 166.1 6.2 10.8 -10.7 44 45 A V - 0 0 68 1,-0.1 204,-0.1 205,-0.0 205,-0.1 -0.659 50.9-107.7 -74.6 131.7 6.2 7.3 -9.4 45 46 A L > - 0 0 15 202,-0.5 4,-2.6 -2,-0.4 5,-0.2 -0.321 16.9-126.6 -61.9 146.8 5.4 5.0 -12.4 46 47 A T H > S+ 0 0 84 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.916 112.2 54.6 -61.8 -42.5 1.9 3.5 -12.4 47 48 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 109.6 49.2 -56.7 -40.2 3.4 0.0 -12.8 48 49 A V H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.942 109.6 49.7 -66.1 -47.8 5.5 0.7 -9.7 49 50 A K H X S+ 0 0 123 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.914 111.6 49.9 -56.7 -43.9 2.6 1.9 -7.7 50 51 A K H X S+ 0 0 108 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.931 112.4 46.8 -60.6 -44.6 0.6 -1.2 -8.7 51 52 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.908 110.2 53.2 -65.6 -39.3 3.6 -3.4 -7.7 52 53 A E H X S+ 0 0 45 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.879 107.8 51.2 -64.3 -35.7 4.0 -1.5 -4.3 53 54 A Q H X S+ 0 0 120 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.932 109.4 50.7 -64.8 -43.8 0.3 -2.1 -3.6 54 55 A Y H X S+ 0 0 124 -4,-2.1 4,-1.9 1,-0.2 5,-0.2 0.915 111.0 48.3 -58.6 -45.1 0.8 -5.9 -4.3 55 56 A L H X S+ 0 0 11 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.903 109.2 52.6 -64.0 -41.3 3.8 -6.0 -2.0 56 57 A L H < S+ 0 0 146 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.920 114.8 43.2 -59.5 -40.3 1.9 -4.2 0.8 57 58 A E H < S+ 0 0 125 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.798 125.6 30.2 -73.7 -29.0 -0.9 -6.7 0.5 58 59 A N H < S+ 0 0 82 -4,-1.9 2,-0.2 -5,-0.2 -2,-0.2 0.659 84.5 105.7-114.3 -22.4 1.3 -9.8 0.2 59 60 A E < + 0 0 65 -4,-2.7 3,-0.1 -5,-0.2 -4,-0.0 -0.467 34.0 174.0 -65.1 131.2 4.5 -9.4 2.1 60 61 A T + 0 0 141 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.389 63.3 20.8-116.6 -1.5 4.6 -11.4 5.4 61 62 A T - 0 0 92 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.983 48.6-149.4-157.2 156.6 8.2 -10.8 6.5 62 63 A K + 0 0 162 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 0.049 47.3 154.6-109.2 19.9 11.1 -8.4 6.1 63 64 A N - 0 0 119 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.166 55.9 -82.7 -45.8 138.2 13.6 -11.3 6.7 64 65 A Y - 0 0 175 1,-0.1 -1,-0.1 220,-0.0 2,-0.1 -0.055 39.4-129.1 -45.6 137.8 16.9 -10.6 5.0 65 66 A L - 0 0 44 220,-0.4 5,-0.1 1,-0.2 -1,-0.1 -0.409 39.8 -87.8 -72.3 163.3 17.4 -11.4 1.4 66 67 A G > - 0 0 42 3,-0.4 3,-2.0 -2,-0.1 -1,-0.2 -0.249 48.1 -94.8 -62.0 166.1 20.4 -13.5 0.5 67 68 A I T 3 S+ 0 0 53 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.863 129.9 46.0 -54.3 -38.2 23.7 -11.6 -0.2 68 69 A D T 3 S- 0 0 45 1,-0.3 30,-2.5 29,-0.1 -1,-0.3 0.405 109.6-136.8 -89.4 1.6 22.9 -11.6 -3.9 69 70 A G < + 0 0 5 -3,-2.0 -3,-0.4 28,-0.2 -1,-0.3 -0.356 55.2 4.2 84.8-155.5 19.2 -10.6 -3.4 70 71 A I > - 0 0 31 1,-0.1 4,-1.8 -5,-0.1 3,-0.4 -0.504 57.9-145.7 -77.1 121.3 16.0 -11.8 -5.0 71 72 A P H > S+ 0 0 90 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.911 99.4 52.6 -53.0 -44.7 16.5 -14.7 -7.3 72 73 A E H > S+ 0 0 61 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.865 105.9 55.0 -60.1 -37.6 13.7 -13.6 -9.7 73 74 A F H > S+ 0 0 1 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.919 108.8 48.3 -59.1 -45.5 15.3 -10.1 -9.9 74 75 A G H X S+ 0 0 10 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.926 112.8 47.6 -61.0 -46.5 18.6 -11.8 -11.0 75 76 A R H X S+ 0 0 129 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.944 113.5 46.0 -63.4 -47.7 16.9 -13.9 -13.6 76 77 A C H X S+ 0 0 13 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.873 112.1 53.5 -61.8 -38.4 14.9 -11.1 -15.1 77 78 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.943 107.8 49.0 -60.1 -50.5 18.0 -8.9 -15.1 78 79 A Q H X S+ 0 0 24 -4,-2.6 4,-3.0 1,-0.2 5,-0.5 0.885 110.5 51.5 -60.7 -36.7 20.0 -11.5 -17.1 79 80 A E H X S+ 0 0 83 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.907 109.7 49.4 -66.1 -41.5 17.2 -11.8 -19.6 80 81 A L H < S+ 0 0 16 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.912 118.5 40.1 -59.8 -43.1 17.1 -8.0 -20.1 81 82 A L H < S+ 0 0 1 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.938 132.0 19.2 -72.7 -48.6 20.9 -7.9 -20.6 82 83 A F H < S- 0 0 11 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.629 106.8-109.3-105.3 -17.6 21.6 -11.0 -22.7 83 84 A G >< - 0 0 6 -4,-1.9 3,-1.8 -5,-0.5 6,-0.2 0.208 42.4 -68.3 93.8 143.6 18.2 -11.9 -24.2 84 85 A K T 3 S+ 0 0 170 1,-0.3 -5,-0.0 -5,-0.1 0, 0.0 -0.390 124.8 20.9 -61.7 137.9 15.9 -14.8 -23.4 85 86 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.3 -2,-0.0 -2,-0.1 0.556 86.5 162.0 74.6 9.2 17.6 -18.1 -24.6 86 87 A S <> - 0 0 22 -3,-1.8 4,-2.6 1,-0.1 3,-0.4 -0.327 47.5-127.5 -54.3 140.0 21.1 -16.5 -24.6 87 88 A A H > S+ 0 0 57 1,-0.2 4,-2.9 2,-0.2 6,-0.2 0.846 110.2 60.6 -55.5 -38.8 23.9 -19.1 -24.5 88 89 A L H 4>S+ 0 0 9 2,-0.2 5,-2.5 1,-0.2 6,-0.6 0.870 110.1 40.9 -59.2 -39.6 25.4 -17.3 -21.5 89 90 A I H >45S+ 0 0 43 -3,-0.4 3,-1.8 -6,-0.2 -2,-0.2 0.949 115.6 48.8 -72.8 -50.6 22.2 -18.0 -19.6 90 91 A N H 3<5S+ 0 0 111 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.869 113.1 48.1 -57.4 -38.1 21.7 -21.6 -20.8 91 92 A D T 3<5S- 0 0 100 -4,-2.9 173,-0.4 -5,-0.2 -1,-0.3 0.361 109.3-125.4 -85.6 4.0 25.4 -22.4 -20.0 92 93 A K T < 5 + 0 0 148 -3,-1.8 -3,-0.2 -5,-0.1 175,-0.1 0.863 64.4 140.8 52.9 42.7 25.0 -20.9 -16.5 93 94 A R < + 0 0 35 -5,-2.5 168,-2.1 -6,-0.2 2,-0.4 0.453 50.5 70.1 -91.6 -3.4 28.0 -18.6 -17.2 94 95 A A E -B 260 0B 8 -6,-0.6 2,-0.4 166,-0.2 166,-0.2 -0.930 53.2-175.0-123.6 140.8 26.4 -15.5 -15.4 95 96 A R E -B 259 0B 68 164,-2.4 164,-3.1 -2,-0.4 2,-0.4 -0.997 12.9-156.1-131.2 138.5 25.7 -14.7 -11.8 96 97 A T E -B 258 0B 10 -2,-0.4 2,-0.5 162,-0.2 162,-0.2 -0.950 7.3-162.8-120.7 132.2 23.9 -11.6 -10.7 97 98 A A E -B 257 0B 0 160,-2.9 160,-2.8 -2,-0.4 2,-0.2 -0.965 23.2-131.3-107.4 125.9 23.9 -9.8 -7.4 98 99 A Q E -B 256 0B 1 -30,-2.5 158,-0.3 -2,-0.5 156,-0.1 -0.556 37.6-173.3 -63.7 131.9 21.1 -7.3 -6.7 99 100 A T E -B 255 0B 0 156,-2.4 156,-2.1 -2,-0.2 2,-1.8 -0.862 38.2 -90.3-129.3 163.8 22.9 -4.1 -5.5 100 101 A P S > S- 0 0 29 0, 0.0 4,-1.4 0, 0.0 154,-0.3 -0.582 93.0 -50.2 -74.1 85.5 21.9 -0.6 -4.1 101 102 A G H > S- 0 0 0 -2,-1.8 4,-2.0 152,-0.4 154,-0.3 0.048 79.5 -62.7 79.3 173.6 21.7 1.1 -7.5 102 103 A G H > S+ 0 0 8 152,-0.3 4,-2.4 2,-0.2 5,-0.2 0.861 135.6 55.9 -57.6 -39.8 24.1 1.3 -10.4 103 104 A T H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.950 106.1 49.7 -62.1 -46.6 26.6 3.0 -8.2 104 105 A G H X S+ 0 0 13 -4,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.897 110.0 51.8 -57.0 -42.5 26.5 0.1 -5.7 105 106 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.913 109.9 48.6 -60.9 -43.5 27.0 -2.3 -8.6 106 107 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.910 113.3 47.1 -64.4 -41.4 30.1 -0.4 -9.8 107 108 A R H X S+ 0 0 83 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.914 110.9 50.5 -69.0 -41.2 31.6 -0.3 -6.3 108 109 A V H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.937 112.5 48.3 -60.0 -44.1 30.9 -4.0 -5.8 109 110 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.937 113.0 48.1 -57.0 -48.2 32.6 -4.7 -9.1 110 111 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.927 113.7 45.5 -61.6 -47.6 35.6 -2.5 -8.1 111 112 A D H X S+ 0 0 28 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.904 113.3 50.9 -63.9 -42.3 36.0 -4.1 -4.7 112 113 A F H X S+ 0 0 12 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.934 114.4 43.6 -58.9 -48.2 35.7 -7.6 -6.2 113 114 A L H X S+ 0 0 2 -4,-2.7 4,-1.6 -5,-0.2 6,-0.3 0.931 113.2 50.6 -65.2 -46.2 38.4 -6.7 -8.8 114 115 A A H < S+ 0 0 26 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.900 119.2 36.6 -58.3 -42.6 40.7 -5.0 -6.4 115 116 A K H < S+ 0 0 157 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.692 126.9 30.5 -85.6 -23.1 40.7 -7.9 -3.9 116 117 A N H < S+ 0 0 62 -4,-1.8 2,-0.3 -5,-0.2 -3,-0.2 0.426 113.5 43.4-123.4 -3.2 40.5 -10.9 -6.2 117 118 A T S < S- 0 0 57 -4,-1.6 0, 0.0 -5,-0.2 0, 0.0 -0.822 80.3-106.8-136.9 176.0 42.4 -10.1 -9.4 118 119 A S S S+ 0 0 87 -2,-0.3 -4,-0.1 -3,-0.0 -5,-0.1 0.427 70.3 133.9 -83.4 -1.0 45.5 -8.4 -10.7 119 120 A V + 0 0 13 -6,-0.3 -2,-0.2 1,-0.2 53,-0.1 -0.262 15.8 156.6 -57.4 129.9 43.4 -5.4 -12.0 120 121 A K + 0 0 135 1,-0.2 22,-2.7 51,-0.2 2,-0.4 0.488 58.6 48.0-123.2 -14.4 45.1 -2.1 -11.1 121 122 A R E -c 142 0B 46 50,-0.2 52,-2.3 20,-0.2 2,-0.4 -0.991 54.3-163.1-141.7 136.2 43.6 0.2 -13.7 122 123 A V E -cd 143 173B 0 20,-2.9 22,-2.4 -2,-0.4 2,-0.5 -0.980 17.3-142.1-120.1 130.6 40.2 1.0 -15.2 123 124 A W E -cd 144 174B 2 50,-3.0 52,-3.3 -2,-0.4 2,-0.3 -0.810 22.8-178.5 -94.9 126.4 39.8 2.9 -18.5 124 125 A V E -c 145 0B 7 20,-2.8 22,-2.2 -2,-0.5 4,-0.1 -0.920 29.7-102.2-123.2 146.7 36.9 5.4 -18.7 125 126 A S E -c 146 0B 1 -2,-0.3 22,-0.2 50,-0.3 23,-0.1 -0.300 40.6-102.0 -65.8 147.9 35.8 7.7 -21.6 126 127 A N E S+c 147 0B 83 20,-2.5 23,-1.2 1,-0.1 22,-0.7 -0.949 112.4 28.9-104.8 109.0 36.7 11.3 -21.7 127 128 A P S S+ 0 0 22 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.561 88.9 144.7 -89.3 170.2 34.1 12.6 -20.8 128 129 A S - 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0 0 4 -168,-2.1 -25,-0.1 -2,-0.4 6,-0.1 -0.808 50.8 -88.7-133.6 178.7 33.0 -16.2 -16.7 262 263 A A S S- 0 0 35 -2,-0.2 2,-0.3 1,-0.1 -169,-0.1 0.800 102.1 -3.9 -61.1 -33.7 34.0 -19.0 -19.1 263 264 A D S > S- 0 0 73 -170,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.938 76.8 -92.9-153.6 173.8 31.8 -21.6 -17.4 264 265 A S H > S+ 0 0 40 -173,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.881 119.2 52.3 -61.4 -44.5 29.6 -22.4 -14.4 265 266 A E H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.942 114.2 43.2 -56.9 -48.5 32.3 -23.7 -12.2 266 267 A T H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.920 114.7 47.8 -69.5 -45.8 34.5 -20.6 -12.7 267 268 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.903 111.9 50.9 -64.4 -37.8 31.6 -18.1 -12.4 268 269 A D H X S+ 0 0 65 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.931 112.1 46.4 -64.3 -44.7 30.4 -19.7 -9.2 269 270 A R H X S+ 0 0 144 -4,-2.1 4,-0.8 -5,-0.2 3,-0.3 0.944 116.5 43.7 -60.6 -49.5 33.8 -19.7 -7.6 270 271 A A H >X S+ 0 0 26 -4,-2.6 4,-1.5 1,-0.2 3,-0.9 0.915 110.3 56.5 -62.7 -42.1 34.5 -16.0 -8.6 271 272 A F H 3X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.3 -1,-0.2 0.807 95.5 65.4 -62.0 -28.7 30.9 -15.0 -7.5 272 273 A S H 3X S+ 0 0 62 -4,-1.4 4,-1.7 -3,-0.3 -1,-0.3 0.891 104.8 45.7 -61.2 -36.1 31.6 -16.4 -4.0 273 274 A Q H X>S+ 0 0 0 -4,-1.7 3,-1.9 2,-0.2 5,-1.8 0.914 107.5 56.0 -69.8 -44.9 29.1 -7.4 -0.6 279 280 A R H 3<5S+ 0 0 157 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.865 108.8 48.0 -56.5 -37.0 28.9 -8.9 2.9 280 281 A A T 3<5S+ 0 0 94 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.389 117.9 42.5 -87.8 2.2 31.7 -6.6 4.0 281 282 A N T <45S- 0 0 82 -3,-1.9 -2,-0.2 -5,-0.1 -3,-0.1 0.746 140.4 -18.6-110.4 -74.8 30.0 -3.5 2.5 282 283 A Y T <5S- 0 0 53 -4,-1.4 2,-2.1 1,-0.0 -3,-0.2 0.276 79.0-132.2-125.7 10.3 26.2 -3.4 3.2 283 284 A S S - 0 0 56 0, 0.0 4,-0.7 0, 0.0 5,-0.1 -0.470 33.3-155.7 -71.5 129.2 17.4 -3.4 -0.0 287 288 A A H > S+ 0 0 38 -2,-0.2 4,-3.0 1,-0.1 5,-0.3 0.860 72.8 70.7 -74.2 -40.6 14.3 -5.4 -0.9 288 289 A H H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.895 103.3 36.7 -56.9 -53.8 11.6 -2.8 -1.7 289 290 A G H > S+ 0 0 0 -37,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.922 120.3 46.5 -64.5 -45.4 12.8 -1.4 -5.1 290 291 A A H X S+ 0 0 1 -4,-0.7 4,-2.9 -38,-0.2 -1,-0.2 0.872 110.0 54.7 -67.1 -35.8 14.2 -4.7 -6.4 291 292 A S H X S+ 0 0 20 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.915 106.8 51.4 -63.3 -40.2 11.0 -6.5 -5.3 292 293 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.957 111.6 47.7 -56.5 -50.4 9.0 -3.9 -7.4 293 294 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.931 113.7 45.9 -57.6 -49.2 11.3 -4.6 -10.4 294 295 A A H X S+ 0 0 6 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.911 111.9 52.3 -61.2 -41.5 11.0 -8.4 -10.1 295 296 A T H < S+ 0 0 24 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 0.906 115.7 41.1 -62.3 -41.6 7.2 -8.2 -9.6 296 297 A I H >< S+ 0 0 0 -4,-2.4 3,-1.6 -5,-0.2 7,-0.5 0.965 115.3 47.4 -71.0 -52.6 6.8 -6.1 -12.7 297 298 A L H 3< S+ 0 0 39 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.782 113.1 49.4 -64.2 -28.2 9.3 -8.0 -15.0 298 299 A S T 3< S+ 0 0 63 -4,-1.9 2,-0.5 -5,-0.3 -1,-0.3 0.408 99.9 73.9 -93.3 2.1 7.8 -11.4 -14.1 299 300 A N <> - 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