==== 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(AMINOTRANSFERASE) 02-AUG-93 1ARS . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.OKAMOTO,T.HIGUCHI,K.HIROTSU . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 71.2 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 . 22 5.6 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 . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 1 2 2 0 2 1 1 2 0 1 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 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 0 225 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.7 41.1 13.6 16.1 2 6 A F > + 0 0 165 3,-0.1 3,-1.2 1,-0.1 0, 0.0 0.230 360.0 102.0-121.1 10.5 39.3 15.4 13.2 3 7 A E T 3 S+ 0 0 186 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.803 84.3 52.5 -74.8 -18.4 40.4 19.2 13.3 4 8 A N T 3 S+ 0 0 157 2,-0.1 2,-0.5 -3,-0.0 -1,-0.2 0.259 79.3 126.4 -94.0 22.8 42.9 18.8 10.5 5 9 A I < - 0 0 122 -3,-1.2 2,-0.4 1,-0.0 -3,-0.1 -0.607 57.2-137.2 -83.4 120.1 40.3 17.2 8.2 6 10 A T - 0 0 131 -2,-0.5 -2,-0.1 1,-0.1 -1,-0.0 -0.680 26.5-108.4 -73.6 129.6 40.2 19.1 4.8 7 11 A A - 0 0 91 -2,-0.4 3,-0.1 1,-0.1 -1,-0.1 -0.298 37.8-106.4 -62.9 144.4 36.6 19.7 3.5 8 12 A A - 0 0 86 1,-0.1 3,-0.1 -3,-0.0 -1,-0.1 -0.396 48.2 -86.0 -69.6 148.8 35.7 17.6 0.6 9 13 A P - 0 0 119 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.231 51.5 -86.5 -59.5 144.1 35.6 19.5 -2.7 10 14 A A - 0 0 97 1,-0.1 -3,-0.0 -3,-0.1 5,-0.0 -0.350 57.1-100.7 -52.2 116.1 32.5 21.2 -3.9 11 15 A D > - 0 0 74 1,-0.2 4,-1.8 -2,-0.1 5,-0.3 -0.302 27.4-127.9 -47.9 115.7 30.4 18.6 -5.6 12 16 A P T 4 S+ 0 0 98 0, 0.0 359,-0.2 0, 0.0 -1,-0.2 0.386 99.0 10.1 -49.8 -7.1 30.8 19.0 -9.4 13 17 A I T >> S+ 0 0 65 -2,-0.2 3,-1.6 357,-0.1 4,-0.9 0.446 116.7 67.1-140.5 -45.3 27.0 19.1 -10.1 14 18 A L H 3> S+ 0 0 87 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.727 89.9 69.2 -53.9 -28.0 25.1 19.4 -6.8 15 19 A G H 3X S+ 0 0 34 -4,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.923 98.7 50.9 -54.9 -43.7 26.5 22.9 -6.3 16 20 A L H <> S+ 0 0 37 -3,-1.6 4,-2.9 -5,-0.3 -1,-0.2 0.831 106.4 55.4 -61.5 -35.3 24.3 23.9 -9.2 17 21 A A H X S+ 0 0 36 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.991 112.3 40.6 -62.0 -55.6 21.3 22.3 -7.5 18 22 A D H < S+ 0 0 91 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.853 116.7 50.0 -61.5 -36.8 21.8 24.3 -4.3 19 23 A L H < S+ 0 0 85 -4,-2.6 3,-0.4 -5,-0.2 -1,-0.2 0.929 109.4 52.5 -68.3 -39.9 22.6 27.4 -6.3 20 24 A F H < S+ 0 0 44 -4,-2.9 2,-2.5 1,-0.3 3,-0.3 0.926 99.8 60.8 -61.9 -51.2 19.4 26.9 -8.5 21 25 A R S < S+ 0 0 172 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 -0.262 96.4 63.1 -80.5 58.0 17.0 26.7 -5.7 22 26 A A S S+ 0 0 82 -2,-2.5 2,-0.4 -3,-0.4 -1,-0.3 -0.235 75.9 109.9-171.3 44.4 17.9 30.1 -4.5 23 27 A D - 0 0 37 -3,-0.3 5,-0.1 5,-0.0 -3,-0.0 -0.999 55.5-152.5-131.6 139.1 16.7 32.1 -7.5 24 28 A E S S+ 0 0 153 -2,-0.4 -3,-0.1 1,-0.1 -1,-0.0 0.226 72.9 89.4 -98.6 19.2 13.6 34.3 -7.2 25 29 A R > - 0 0 156 1,-0.1 3,-2.5 341,-0.0 -1,-0.1 -0.829 57.7-164.3-115.3 79.7 12.8 34.0 -10.8 26 30 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.521 87.3 77.7 -44.8 0.4 10.4 31.0 -11.9 27 31 A G T 3 S+ 0 0 60 2,-0.1 2,-0.1 360,-0.0 -3,-0.0 0.565 73.7 114.3 -75.0 -14.8 11.5 31.7 -15.5 28 32 A K < - 0 0 37 -3,-2.5 2,-0.4 339,-0.1 339,-0.2 -0.370 53.4-163.9 -59.5 134.1 14.6 29.8 -14.3 29 33 A I E -a 367 0A 10 337,-1.9 339,-3.0 -2,-0.1 2,-0.7 -0.966 9.4-151.2-124.2 129.9 15.2 26.5 -15.9 30 34 A N E > +a 368 0A 22 -2,-0.4 3,-0.6 337,-0.2 339,-0.2 -0.846 24.7 164.3-105.5 100.2 17.5 23.9 -14.5 31 35 A L T 3 + 0 0 1 337,-2.8 345,-1.6 -2,-0.7 339,-0.3 0.295 64.6 82.5 -93.6 14.2 19.0 21.8 -17.3 32 36 A G T 3 + 0 0 9 336,-0.3 -1,-0.2 337,-0.2 337,-0.1 0.612 60.7 110.6 -92.1 -5.8 21.6 20.5 -14.8 33 37 A I < - 0 0 44 -3,-0.6 -1,-0.2 343,-0.2 -2,-0.1 0.579 53.8-159.4 -53.0 -32.5 19.4 17.8 -13.3 34 38 A G + 0 0 16 -3,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.371 67.1 89.0 73.8 -21.0 20.6 14.2 -14.2 35 39 A V S S- 0 0 41 312,-0.1 2,-0.2 341,-0.1 -1,-0.1 -0.743 86.6-102.3-109.1 162.1 17.1 12.7 -13.4 36 40 A Y - 0 0 14 -2,-0.2 2,-0.3 -3,-0.1 343,-0.1 -0.565 35.8-170.9 -82.2 150.2 14.2 12.4 -15.9 37 41 A K - 0 0 49 -2,-0.2 6,-0.2 341,-0.1 2,-0.1 -0.969 14.3-134.2-133.1 147.5 11.3 14.9 -15.7 38 42 A D > - 0 0 41 4,-2.3 3,-2.9 -2,-0.3 4,-0.3 -0.391 45.4 -76.9 -90.9-176.0 8.0 14.8 -17.6 39 43 A E T 3 S+ 0 0 98 1,-0.3 344,-0.2 2,-0.1 -1,-0.0 0.783 132.3 56.1 -52.3 -32.2 6.2 17.6 -19.5 40 44 A T T 3 S- 0 0 98 2,-0.1 -1,-0.3 341,-0.1 3,-0.1 0.458 118.5-110.5 -75.6 -3.8 5.0 19.0 -16.1 41 45 A G S < S+ 0 0 37 -3,-2.9 2,-0.3 1,-0.3 -2,-0.1 0.799 78.6 123.4 76.6 29.5 8.6 19.3 -14.8 42 46 A K - 0 0 130 -4,-0.3 -4,-2.3 0, 0.0 -1,-0.3 -0.869 62.9-136.6-127.6 153.4 8.1 16.5 -12.3 43 47 A T - 0 0 52 -2,-0.3 -6,-0.1 -6,-0.2 -7,-0.0 -0.715 38.4-168.1-105.2 79.3 9.8 13.1 -11.6 44 48 A P - 0 0 52 0, 0.0 2,-0.5 0, 0.0 3,-0.0 -0.057 25.3-113.0 -65.1 161.0 6.7 10.9 -11.1 45 49 A V - 0 0 68 1,-0.1 204,-0.1 205,-0.0 205,-0.1 -0.815 46.6-106.6 -93.7 136.6 6.7 7.4 -9.6 46 50 A L > - 0 0 11 -2,-0.5 4,-2.3 202,-0.4 5,-0.2 -0.268 14.5-125.7 -59.6 153.2 5.6 5.1 -12.4 47 51 A T H > S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.955 110.9 54.2 -62.1 -44.1 2.2 3.6 -12.5 48 52 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.849 108.6 48.2 -59.0 -32.2 3.6 0.1 -12.8 49 53 A V H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.918 109.5 51.4 -86.5 -33.3 5.8 0.6 -9.7 50 54 A K H X S+ 0 0 123 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.912 112.4 48.6 -64.4 -32.9 2.9 2.0 -7.6 51 55 A K H X S+ 0 0 109 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.951 111.4 49.1 -66.3 -41.1 1.0 -1.1 -8.6 52 56 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.922 110.1 51.8 -66.6 -36.3 3.9 -3.3 -7.7 53 57 A E H X S+ 0 0 42 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.823 106.3 52.2 -71.8 -31.9 4.2 -1.6 -4.4 54 58 A Q H X S+ 0 0 100 -4,-2.0 4,-2.3 -3,-0.2 -1,-0.2 0.940 110.7 50.5 -65.5 -42.4 0.5 -2.2 -3.5 55 59 A Y H X S+ 0 0 122 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.931 111.0 47.3 -56.0 -53.8 1.1 -5.8 -4.3 56 60 A L H X S+ 0 0 14 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.912 111.5 51.1 -57.9 -41.2 4.2 -6.0 -2.1 57 61 A L H < S+ 0 0 130 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.899 114.0 44.3 -63.4 -38.1 2.3 -4.3 0.7 58 62 A E H < S+ 0 0 133 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.901 125.6 31.8 -73.7 -36.8 -0.6 -6.8 0.4 59 63 A N H < S+ 0 0 92 -4,-2.7 -2,-0.2 -5,-0.2 2,-0.2 0.589 84.1 104.4-107.0 -11.9 1.7 -9.7 0.2 60 64 A E < + 0 0 72 -4,-3.0 3,-0.1 -5,-0.2 -4,-0.0 -0.525 32.8 174.1 -72.1 136.8 4.9 -9.4 2.1 61 66 A T + 0 0 142 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.393 63.1 23.4-115.7 -2.2 5.0 -11.3 5.4 62 67 A T - 0 0 94 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.986 47.1-154.2-156.6 156.6 8.6 -10.8 6.5 63 68 A K + 0 0 164 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 -0.056 48.5 147.5-117.3 19.9 11.5 -8.3 6.1 64 69 A N - 0 0 117 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.226 58.6 -73.8 -56.1 148.4 14.0 -11.0 6.9 65 70 A Y - 0 0 180 1,-0.1 2,-0.2 220,-0.0 -1,-0.1 -0.031 38.9-131.7 -45.4 134.1 17.4 -10.6 5.1 66 71 A L - 0 0 41 220,-0.3 5,-0.1 -3,-0.1 -1,-0.1 -0.551 40.5 -92.6 -74.2 156.6 17.9 -11.4 1.5 67 72 A G > - 0 0 44 3,-0.5 3,-2.9 -2,-0.2 -1,-0.1 -0.320 49.7 -91.6 -61.4 159.6 20.9 -13.6 0.7 68 73 A I T 3 S+ 0 0 28 1,-0.3 -1,-0.1 217,-0.2 3,-0.1 0.848 129.4 46.4 -44.3 -40.3 24.1 -11.6 -0.1 69 74 A D T 3 S- 0 0 51 1,-0.3 30,-2.1 29,-0.1 -1,-0.3 0.376 110.6-132.3 -92.5 6.8 23.3 -11.6 -3.8 70 75 A G < - 0 0 7 -3,-2.9 -3,-0.5 28,-0.2 -1,-0.3 -0.369 54.4 -3.0 84.1-150.6 19.7 -10.5 -3.3 71 76 A I > - 0 0 34 1,-0.1 4,-1.8 -2,-0.1 3,-0.2 -0.628 58.8-144.7 -86.1 130.6 16.4 -11.8 -4.7 72 77 A P H > S+ 0 0 110 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.909 97.5 54.5 -64.3 -40.6 16.9 -14.7 -7.2 73 78 A E H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.897 106.1 54.1 -58.6 -39.4 14.1 -13.8 -9.5 74 79 A F H > S+ 0 0 0 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.954 108.5 51.4 -57.6 -47.7 15.5 -10.3 -9.8 75 80 A G H X S+ 0 0 10 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.940 111.4 43.8 -56.1 -50.0 18.8 -11.9 -10.8 76 81 A R H X S+ 0 0 127 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.927 112.6 53.2 -69.3 -37.3 17.4 -14.1 -13.6 77 82 A C H X S+ 0 0 7 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.886 109.8 49.2 -60.2 -38.9 15.2 -11.2 -14.9 78 83 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.936 110.0 47.3 -77.9 -39.0 18.2 -8.9 -15.2 79 84 A Q H X S+ 0 0 13 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.841 112.1 51.8 -72.5 -19.4 20.5 -11.3 -17.0 80 85 A E H X S+ 0 0 46 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.927 112.0 48.3 -68.3 -40.1 17.5 -12.1 -19.5 81 86 A L H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.925 118.7 39.4 -62.3 -44.0 17.2 -8.3 -20.0 82 87 A L H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.927 129.9 24.4 -65.3 -51.3 20.9 -7.9 -20.5 83 88 A F H < S- 0 0 9 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.492 111.5 -96.8-103.9 -7.7 21.7 -11.0 -22.6 84 89 A G >< - 0 0 8 -4,-2.2 3,-1.9 -5,-0.3 6,-0.2 0.198 41.6 -78.9 95.0 146.1 18.5 -11.9 -24.3 85 90 A K T 3 S+ 0 0 96 1,-0.3 -1,-0.1 -4,-0.1 -4,-0.1 0.608 124.8 24.8 -62.2 -20.0 15.9 -14.4 -23.3 86 91 A G T 3 S+ 0 0 55 -3,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.089 83.8 159.3-130.9 29.1 17.7 -17.6 -24.6 87 92 A S X> - 0 0 27 -3,-1.9 4,-2.7 1,-0.1 3,-1.0 -0.181 48.7-128.5 -56.9 147.6 21.3 -16.6 -24.5 88 93 A A H 3> S+ 0 0 58 1,-0.3 4,-3.3 2,-0.2 6,-0.2 0.855 109.2 62.9 -62.3 -33.5 24.0 -19.2 -24.4 89 94 A L H 34>S+ 0 0 5 2,-0.2 5,-2.4 1,-0.2 6,-0.7 0.835 109.2 39.8 -58.9 -36.6 25.5 -17.4 -21.4 90 95 A I H X45S+ 0 0 25 -3,-1.0 3,-1.9 3,-0.2 -2,-0.2 0.938 116.0 49.1 -82.4 -47.2 22.3 -18.0 -19.5 91 96 A N H 3<5S+ 0 0 112 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.908 114.9 45.2 -62.3 -36.8 21.8 -21.6 -20.7 92 97 A D T 3<5S- 0 0 92 -4,-3.3 173,-0.5 -5,-0.2 -1,-0.3 0.383 109.3-129.2 -82.4 3.1 25.4 -22.6 -19.9 93 98 A K T < 5 + 0 0 89 -3,-1.9 -3,-0.2 -5,-0.2 -4,-0.1 0.845 63.1 137.1 47.1 51.7 25.1 -20.8 -16.6 94 99 A R < + 0 0 30 -5,-2.4 168,-1.8 -6,-0.2 2,-0.4 0.376 50.4 75.8-104.9 6.3 28.2 -18.7 -16.9 95 100 A A E -B 261 0B 0 -6,-0.7 2,-0.4 166,-0.2 166,-0.2 -0.936 54.8-174.4-117.5 139.3 26.7 -15.5 -15.6 96 101 A R E -B 260 0B 76 164,-2.3 164,-2.6 -2,-0.4 2,-0.4 -0.995 10.6-153.9-129.6 140.7 26.0 -14.7 -11.9 97 102 A T E -B 259 0B 12 -2,-0.4 2,-0.5 162,-0.2 162,-0.3 -0.949 7.7-163.3-117.8 125.3 24.2 -11.6 -10.7 98 103 A A E -B 258 0B 0 160,-2.8 160,-2.8 -2,-0.4 2,-0.3 -0.936 24.1-131.9-103.4 125.8 24.4 -9.8 -7.4 99 104 A Q E -B 257 0B 1 -30,-2.1 158,-0.3 -2,-0.5 156,-0.0 -0.639 38.0-175.1 -63.0 129.9 21.5 -7.3 -6.7 100 105 A T E -B 256 0B 0 156,-2.5 2,-1.8 -2,-0.3 156,-1.6 -0.848 38.7 -87.7-128.6 168.2 23.3 -4.1 -5.5 101 106 A P E > S-B 255 0B 29 0, 0.0 4,-1.4 0, 0.0 154,-0.3 -0.546 92.7 -50.2 -72.9 84.4 22.4 -0.7 -4.2 102 107 A G H > S- 0 0 0 -2,-1.8 4,-1.8 152,-0.7 154,-0.3 0.050 81.1 -63.5 76.1 174.1 22.1 1.1 -7.5 103 108 A G H > S+ 0 0 8 152,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.845 134.0 58.5 -65.4 -32.0 24.5 1.1 -10.4 104 109 A T H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.936 105.6 48.5 -65.9 -39.2 27.1 2.9 -8.3 105 110 A G H X S+ 0 0 13 -4,-1.4 4,-2.8 1,-0.2 5,-0.3 0.930 108.4 55.1 -64.2 -40.8 27.1 0.1 -5.7 106 111 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.881 109.7 46.8 -59.9 -39.0 27.4 -2.4 -8.6 107 112 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.873 112.2 49.3 -72.2 -36.4 30.6 -0.5 -9.7 108 113 A R H X S+ 0 0 87 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.932 113.1 45.7 -71.6 -39.2 32.1 -0.3 -6.2 109 114 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.862 114.2 49.8 -72.8 -29.9 31.6 -4.1 -5.5 110 115 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.3 5,-0.2 0.963 113.5 47.2 -63.9 -49.2 33.0 -4.8 -9.1 111 116 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.889 114.2 45.5 -57.0 -43.0 35.9 -2.5 -8.2 112 117 A D H X S+ 0 0 27 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.892 112.2 51.4 -71.1 -38.7 36.5 -4.2 -4.8 113 118 A F H X S+ 0 0 14 -4,-2.2 4,-1.9 -5,-0.2 5,-0.2 0.959 114.2 43.6 -60.4 -50.4 36.2 -7.6 -6.2 114 119 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 6,-0.5 0.955 113.1 51.2 -61.2 -48.6 38.8 -6.8 -8.9 115 120 A A H < S+ 0 0 34 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.845 119.1 36.4 -64.7 -30.0 41.1 -5.0 -6.5 116 121 A K H < S+ 0 0 162 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.666 127.0 30.1 -96.1 -18.3 41.1 -7.9 -4.0 117 122 A N H < S+ 0 0 62 -4,-1.9 2,-0.2 -3,-0.4 -3,-0.2 0.436 114.6 42.1-123.1 -7.6 41.0 -10.9 -6.2 118 123 A T S < S- 0 0 53 -4,-2.0 0, 0.0 -5,-0.2 0, 0.0 -0.777 79.8-111.2-129.7-179.3 42.7 -10.2 -9.5 119 124 A S + 0 0 100 -2,-0.2 2,-0.2 -3,-0.0 -4,-0.1 -0.020 62.4 140.9-103.6 33.2 45.9 -8.3 -10.5 120 125 A V + 0 0 14 -6,-0.5 -2,-0.1 1,-0.2 53,-0.1 -0.555 16.7 166.1 -79.7 141.2 44.1 -5.3 -12.2 121 126 A K + 0 0 135 1,-0.3 22,-2.9 -2,-0.2 2,-0.4 0.518 59.7 44.5-121.8 -22.8 45.8 -2.0 -11.5 122 129 A R E -c 143 0B 98 20,-0.2 52,-2.3 50,-0.2 2,-0.4 -0.983 53.0-164.9-134.6 143.5 44.2 0.2 -14.2 123 133 A V E -cd 144 174B 0 20,-2.9 22,-2.4 -2,-0.4 2,-0.6 -0.987 20.1-141.4-121.0 127.0 40.6 0.9 -15.5 124 134 A W E -cd 145 175B 6 50,-3.0 52,-3.0 -2,-0.4 2,-0.3 -0.805 22.3-176.2 -91.3 121.8 40.3 2.8 -18.7 125 135 A V E -c 146 0B 8 20,-3.0 22,-1.7 -2,-0.6 4,-0.1 -0.885 29.7-103.9-117.9 146.3 37.4 5.3 -18.7 126 136 A S E -c 147 0B 1 -2,-0.3 22,-0.2 50,-0.3 23,-0.1 -0.309 39.9-100.6 -66.6 156.5 36.3 7.4 -21.7 127 137 A N E S+c 148 0B 82 20,-2.1 23,-1.3 1,-0.2 22,-0.5 -0.969 114.8 28.0-115.0 111.0 37.1 11.0 -21.8 128 138 A P S S+ 0 0 25 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.575 90.6 147.5 -80.2 165.9 34.6 12.3 -21.0 129 139 A S - 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0 0 5 -168,-1.8 -25,-0.1 -2,-0.4 6,-0.1 -0.806 46.9 -88.6-130.0 174.9 33.3 -16.3 -16.6 263 275 A A S S+ 0 0 41 -2,-0.2 2,-0.3 1,-0.1 -26,-0.1 0.818 102.2 5.2 -57.2 -37.1 34.4 -19.1 -19.0 264 276 A D S >> S- 0 0 65 -170,-0.1 4,-2.5 -171,-0.1 3,-0.6 -0.975 82.7 -90.6-147.9 171.8 32.3 -21.7 -17.4 265 277 A S T 34 S+ 0 0 55 -173,-0.5 4,-0.2 -2,-0.3 -2,-0.0 0.403 118.3 42.7 -61.2 -1.6 29.7 -22.5 -15.0 266 278 A E T 3> S+ 0 0 102 2,-0.2 4,-1.7 3,-0.1 -1,-0.3 0.580 107.7 51.1-130.7 -35.8 32.2 -23.3 -12.2 267 279 A T H <> S+ 0 0 27 -3,-0.6 4,-2.8 2,-0.2 5,-0.3 0.906 109.8 55.7 -73.4 -35.4 34.9 -20.7 -12.4 268 280 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.928 108.3 47.9 -65.0 -36.2 32.0 -18.1 -12.3 269 281 A D H > S+ 0 0 69 -5,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.944 112.3 49.1 -64.6 -43.4 30.7 -19.6 -9.1 270 282 A R H X S+ 0 0 142 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.933 116.0 42.4 -61.3 -47.7 34.3 -19.6 -7.6 271 283 A A H >X S+ 0 0 27 -4,-2.8 4,-2.0 1,-0.2 3,-0.6 0.889 111.2 56.9 -65.0 -36.0 34.7 -15.9 -8.6 272 284 A F H 3X S+ 0 0 1 -4,-2.8 4,-2.7 -5,-0.3 -2,-0.2 0.877 96.9 61.9 -69.9 -31.8 31.2 -15.1 -7.4 273 285 A S H 3X S+ 0 0 59 -4,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.868 107.3 45.0 -62.1 -29.7 31.9 -16.3 -3.9 274 286 A Q H X>S+ 0 0 0 -4,-1.7 3,-1.9 2,-0.2 5,-1.8 0.921 106.6 56.2 -69.6 -47.4 29.5 -7.4 -0.5 280 292 A R H 3<5S+ 0 0 140 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.902 107.5 49.6 -52.6 -39.2 29.4 -8.9 3.0 281 293 A A T 3<5S+ 0 0 93 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.414 117.6 41.1 -83.8 6.5 32.2 -6.5 4.1 282 294 A N T <45S- 0 0 81 -3,-1.9 -2,-0.2 -5,-0.1 -3,-0.1 0.671 140.0 -20.3-114.6 -71.2 30.4 -3.5 2.6 283 295 A Y T <5S- 0 0 54 -4,-1.4 2,-1.7 1,-0.0 -3,-0.2 0.311 79.2-132.6-127.6 4.4 26.6 -3.4 3.2 284 296 A S S - 0 0 55 0, 0.0 4,-0.7 0, 0.0 -187,-0.0 -0.365 35.4-157.1 -60.2 122.2 17.9 -3.4 -0.0 288 300 A A H > S+ 0 0 34 -2,-0.3 4,-2.6 1,-0.1 5,-0.3 0.937 70.2 72.0 -77.1 -36.9 14.8 -5.5 -0.9 289 301 A H H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.837 101.8 36.2 -51.7 -57.8 12.0 -2.9 -1.8 290 302 A G H > S+ 0 0 1 -37,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.842 119.6 49.9 -70.5 -34.5 13.1 -1.5 -5.2 291 303 A A H X S+ 0 0 1 -4,-0.7 4,-2.7 -38,-0.2 -1,-0.2 0.861 109.2 52.2 -71.4 -31.3 14.5 -4.8 -6.4 292 304 A S H X S+ 0 0 19 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.878 108.5 52.7 -68.1 -36.0 11.2 -6.5 -5.3 293 305 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.985 112.0 43.7 -61.9 -50.8 9.4 -3.9 -7.3 294 306 A V H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.907 113.3 51.2 -60.5 -45.7 11.5 -4.6 -10.5 295 307 A A H X S+ 0 0 2 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.925 112.5 45.6 -62.4 -39.7 11.3 -8.4 -10.0 296 308 A T H < S+ 0 0 23 -4,-2.2 4,-0.5 -5,-0.2 -2,-0.2 0.921 114.0 48.5 -77.6 -32.1 7.5 -8.3 -9.7 297 309 A I H >< S+ 0 0 0 -4,-2.6 3,-2.1 1,-0.2 7,-0.5 0.998 114.6 45.0 -60.4 -57.5 7.0 -5.9 -12.7 298 310 A L H 3< S+ 0 0 10 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.675 114.6 46.8 -64.4 -24.0 9.2 -7.9 -15.0 299 311 A S T 3< S+ 0 0 57 -4,-1.4 2,-0.6 -5,-0.2 -1,-0.3 0.406 101.9 71.9 -98.1 4.2 7.9 -11.3 -14.1 300 312 A N <> - 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