==== 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-DEC-91 7AAT . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR C.A.MCPHALEN,M.G.VINCENT,J.N.JANSONIUS . 802 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31061.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 575 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 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 . 51 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 318 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.9 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 4 2 0 1 4 1 1 3 7 2 1 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 4 0 2 2 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 2 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 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 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 3 A S 0 0 50 0, 0.0 2,-1.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0-152.7 29.8 -4.9 44.1 2 4 A S + 0 0 67 1,-0.2 3,-0.5 2,-0.1 4,-0.1 -0.393 360.0 134.9 -85.1 56.6 29.9 -7.8 41.7 3 5 A W S S+ 0 0 6 -2,-1.5 3,-0.3 1,-0.2 520,-0.2 0.801 73.4 38.9 -72.7 -36.1 26.2 -7.4 40.9 4 6 A W S > S+ 0 0 1 -3,-0.4 3,-1.6 1,-0.2 -1,-0.2 0.137 74.6 112.6-106.1 17.2 26.7 -7.8 37.1 5 7 A S T 3 S+ 0 0 78 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.748 80.3 52.1 -62.4 -29.2 29.4 -10.4 36.7 6 8 A H T 3 S+ 0 0 59 -3,-0.3 2,-0.6 -4,-0.1 -1,-0.3 0.363 81.0 111.8 -87.1 0.4 27.0 -12.9 35.1 7 9 A V < - 0 0 1 -3,-1.6 2,-0.2 3,-0.0 670,-0.1 -0.708 59.9-149.9 -79.2 116.2 25.8 -10.4 32.5 8 10 A E - 0 0 150 -2,-0.6 2,-0.2 1,-0.1 672,-0.1 -0.567 22.9 -99.0 -89.3 152.2 27.0 -11.6 29.2 9 11 A M - 0 0 105 -2,-0.2 667,-0.1 1,-0.1 -1,-0.1 -0.472 47.0-122.1 -66.1 134.1 27.9 -9.4 26.2 10 12 A G - 0 0 11 666,-0.3 -1,-0.1 -2,-0.2 670,-0.1 -0.410 33.9 -82.2 -79.3 158.6 24.9 -9.4 23.9 11 13 A P - 0 0 108 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.208 48.6-107.7 -61.9 148.2 25.1 -10.5 20.2 12 14 A P - 0 0 119 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.448 29.2-111.5 -78.3 151.8 26.4 -8.0 17.6 13 15 A D > - 0 0 54 1,-0.2 4,-2.4 -2,-0.1 5,-0.1 -0.776 17.8-154.7 -88.9 118.1 24.0 -6.4 15.1 14 16 A P H > S+ 0 0 96 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.870 95.1 54.5 -58.5 -40.9 24.7 -7.7 11.6 15 17 A I H >> S+ 0 0 56 2,-0.2 4,-1.7 1,-0.2 3,-0.7 0.937 108.8 46.7 -59.5 -49.6 23.3 -4.5 10.1 16 18 A L H 3> S+ 0 0 69 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.904 107.7 60.1 -57.6 -41.3 25.6 -2.4 12.2 17 19 A G H 3X S+ 0 0 30 -4,-2.4 4,-1.4 1,-0.2 -1,-0.3 0.826 104.2 48.9 -54.0 -37.8 28.3 -4.8 11.0 18 20 A V H - 0 0 62 1,-0.2 3,-1.8 2,-0.1 -2,-0.0 -0.588 62.2-146.6 -71.5 120.5 36.9 2.9 -2.7 28 30 A S T 3 S+ 0 0 125 -2,-0.5 -1,-0.2 1,-0.3 -3,-0.0 0.574 95.4 66.1 -66.0 -8.4 35.0 6.1 -3.7 29 31 A K T 3 S+ 0 0 123 2,-0.1 -1,-0.3 362,-0.0 -2,-0.1 0.449 74.1 131.1 -92.9 -1.1 32.5 3.8 -5.6 30 32 A K < - 0 0 57 -3,-1.8 2,-0.4 -8,-0.1 341,-0.2 -0.114 40.3-159.6 -55.4 146.4 31.3 2.2 -2.4 31 33 A M E -a 371 0A 4 339,-2.1 341,-2.9 338,-0.0 2,-0.7 -0.989 10.8-149.4-132.0 138.3 27.5 1.9 -1.8 32 34 A N E +a 372 0A 27 -2,-0.4 3,-0.4 351,-0.3 341,-0.1 -0.926 25.6 162.7-110.6 102.1 25.7 1.4 1.4 33 35 A L + 0 0 0 339,-2.9 347,-1.7 -2,-0.7 341,-0.3 0.036 65.9 76.7-106.4 21.7 22.5 -0.5 0.8 34 36 A G + 0 0 8 345,-0.2 2,-0.4 339,-0.2 -1,-0.2 0.301 65.9 122.0-108.4 -0.3 22.1 -1.4 4.4 35 37 A V - 0 0 21 -3,-0.4 347,-0.3 345,-0.2 348,-0.2 -0.519 49.1-159.5 -72.3 122.1 20.8 2.1 5.3 36 38 A G + 0 0 37 -2,-0.4 2,-0.3 346,-0.1 -1,-0.1 0.197 66.2 66.1 -89.1 15.4 17.3 2.1 6.9 37 39 A A S S- 0 0 5 314,-0.1 213,-0.1 343,-0.0 -2,-0.1 -0.918 90.3 -86.7-136.3 159.3 16.5 5.8 6.2 38 40 A Y - 0 0 15 -2,-0.3 8,-0.4 8,-0.1 2,-0.3 -0.332 38.5-171.2 -67.3 144.9 15.8 7.9 3.1 39 41 A R - 0 0 47 6,-0.2 345,-0.1 343,-0.1 2,-0.0 -0.954 19.2-124.4-133.9 146.2 18.7 9.5 1.3 40 42 A D > - 0 0 42 4,-2.6 3,-2.4 -2,-0.3 6,-0.0 -0.139 44.4 -81.0 -82.6-175.1 18.4 12.0 -1.5 41 43 A D T 3 S+ 0 0 54 1,-0.3 346,-0.4 2,-0.1 345,-0.1 0.684 134.1 53.7 -60.8 -18.9 19.9 11.8 -4.9 42 44 A N T 3 S- 0 0 125 2,-0.2 -1,-0.3 343,-0.1 343,-0.1 0.318 120.7-109.3 -98.9 5.3 23.2 13.0 -3.4 43 45 A G S < S+ 0 0 45 -3,-2.4 -2,-0.1 1,-0.3 342,-0.0 0.700 76.5 131.3 72.9 26.8 23.1 10.2 -0.8 44 46 A K - 0 0 128 1,-0.1 -4,-2.6 0, 0.0 -1,-0.3 -0.788 65.8 -95.3-112.9 155.9 22.3 12.7 2.0 45 47 A P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.310 42.1-141.7 -61.0 146.2 19.8 12.8 4.8 46 48 A Y - 0 0 63 -8,-0.4 2,-0.6 -6,-0.0 -8,-0.1 -0.959 17.1-169.3-125.9 115.9 16.7 14.8 3.9 47 49 A V - 0 0 25 -2,-0.5 206,-0.1 207,-0.0 207,-0.1 -0.907 35.4-119.1 -97.2 120.0 14.8 17.2 6.1 48 50 A L > - 0 0 0 -2,-0.6 4,-1.7 204,-0.5 3,-0.4 -0.229 9.6-127.2 -62.3 150.0 11.6 18.2 4.3 49 51 A N H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.842 112.1 55.5 -63.5 -39.1 11.0 21.8 3.6 50 52 A C H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.734 106.0 53.3 -67.5 -25.0 7.6 21.6 5.3 51 53 A V H > S+ 0 0 1 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.890 107.7 48.6 -73.5 -44.7 9.4 20.4 8.4 52 54 A R H X S+ 0 0 62 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.877 113.1 50.0 -61.6 -40.2 11.8 23.3 8.4 53 55 A K H X S+ 0 0 89 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.883 108.9 49.2 -66.2 -45.9 8.8 25.6 8.0 54 56 A A H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.870 111.1 51.9 -62.9 -40.0 6.8 24.1 10.8 55 57 A E H X S+ 0 0 43 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.895 107.8 50.0 -63.1 -44.6 9.8 24.3 13.1 56 58 A A H X S+ 0 0 62 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.882 109.0 54.4 -60.7 -40.8 10.4 28.0 12.4 57 59 A M H X S+ 0 0 73 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.826 107.4 49.3 -61.0 -40.0 6.7 28.5 13.1 58 60 A I H <>S+ 0 0 18 -4,-1.6 5,-1.0 2,-0.2 4,-0.2 0.885 111.4 48.4 -67.9 -45.3 7.1 26.9 16.6 59 61 A A H ><5S+ 0 0 58 -4,-2.1 3,-2.4 1,-0.2 -2,-0.2 0.937 108.0 55.9 -59.9 -51.0 10.1 29.0 17.4 60 62 A A H 3<5S+ 0 0 80 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.781 105.2 52.9 -50.7 -36.2 8.2 32.2 16.3 61 63 A K T 3<5S- 0 0 123 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.448 98.9-137.7 -81.7 -5.5 5.4 31.4 18.7 62 64 A K T < 5 - 0 0 135 -3,-2.4 -3,-0.2 -4,-0.2 -2,-0.1 0.906 31.4-166.6 45.0 58.2 7.7 31.1 21.7 63 66 A M < - 0 0 60 -5,-1.0 -1,-0.1 1,-0.1 2,-0.0 -0.367 15.6-116.9 -73.7 154.2 5.8 28.0 23.0 64 67 A D - 0 0 63 -2,-0.1 -1,-0.1 1,-0.1 385,-0.0 -0.180 14.2-125.8 -80.0 178.3 6.4 26.7 26.5 65 68 A K + 0 0 3 590,-0.1 593,-2.8 -2,-0.0 594,-0.3 -0.067 52.1 152.3-119.3 31.1 7.8 23.2 27.2 66 69 A E - 0 0 28 591,-0.2 226,-0.0 1,-0.1 -3,-0.0 -0.176 55.0 -86.1 -64.9 152.0 5.0 22.0 29.5 67 70 A Y - 0 0 81 1,-0.1 -1,-0.1 590,-0.1 3,-0.1 -0.330 40.8-133.3 -56.4 137.7 4.1 18.3 29.9 68 71 A L - 0 0 17 222,-0.4 5,-0.1 1,-0.2 -1,-0.1 -0.512 38.0 -86.3 -85.6 160.9 1.7 17.0 27.2 69 72 A P > - 0 0 84 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 -0.196 45.6-102.8 -60.1 160.7 -1.2 14.9 28.5 70 73 A I T 3 S+ 0 0 36 1,-0.3 3,-0.1 219,-0.2 -2,-0.1 0.898 124.5 50.6 -52.6 -47.8 -0.4 11.2 28.9 71 74 A A T 3 S- 0 0 11 1,-0.2 30,-3.0 29,-0.1 -1,-0.3 0.535 116.7-120.9 -71.2 -10.1 -2.2 10.4 25.6 72 75 A G < - 0 0 5 -3,-1.4 2,-0.5 28,-0.2 -1,-0.2 -0.402 53.9 -15.6 99.5-173.1 -0.3 13.2 23.8 73 76 A L >> - 0 0 42 1,-0.2 4,-2.1 -2,-0.1 3,-1.0 -0.565 56.0-145.8 -66.1 112.8 -1.2 16.4 21.9 74 77 A A H 3> S+ 0 0 67 -2,-0.5 4,-2.3 1,-0.3 5,-0.2 0.776 98.5 53.7 -50.7 -38.3 -4.9 16.2 21.0 75 78 A D H 3> S+ 0 0 94 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.800 111.6 47.6 -66.3 -34.4 -4.4 18.0 17.7 76 79 A F H <> S+ 0 0 0 -3,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.894 112.0 47.1 -75.2 -44.8 -1.8 15.4 16.8 77 80 A T H X S+ 0 0 21 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.879 113.8 47.6 -66.6 -40.7 -3.8 12.4 17.8 78 81 A R H X S+ 0 0 80 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.928 114.2 46.2 -63.4 -49.3 -7.0 13.6 16.0 79 82 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.801 110.7 54.4 -61.6 -35.3 -5.1 14.4 12.8 80 83 A S H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.887 109.6 46.1 -68.0 -42.9 -3.2 11.1 13.0 81 84 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.893 111.9 52.5 -66.7 -40.2 -6.5 9.1 13.1 82 85 A E H X S+ 0 0 46 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.895 108.2 51.1 -60.6 -43.0 -7.9 11.3 10.2 83 86 A L H < S+ 0 0 2 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.889 116.5 39.4 -60.6 -46.6 -4.8 10.5 8.1 84 87 A A H < S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.929 125.0 34.0 -70.8 -51.8 -5.1 6.7 8.7 85 88 A L H < S- 0 0 7 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.753 108.1-113.6 -78.4 -35.5 -8.9 6.3 8.5 86 89 A G >< - 0 0 11 -4,-2.5 3,-1.3 -5,-0.3 6,-0.2 0.129 24.8 -95.6 103.7 143.7 -9.9 8.9 5.9 87 90 A E T 3 S+ 0 0 129 1,-0.3 -1,-0.1 -4,-0.1 -4,-0.1 0.831 124.7 42.6 -57.6 -40.6 -12.0 12.1 6.6 88 91 A N T 3 S+ 0 0 116 -6,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.251 84.5 132.7 -94.2 10.3 -15.2 10.5 5.5 89 92 A S <> - 0 0 24 -3,-1.3 4,-2.4 1,-0.1 5,-0.2 -0.370 58.2-138.2 -64.2 137.4 -14.6 7.2 7.3 90 93 A E H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 6,-0.2 0.883 104.3 55.8 -64.2 -38.9 -17.5 6.0 9.4 91 94 A A H 4>S+ 0 0 0 1,-0.2 5,-1.6 2,-0.2 6,-0.2 0.846 112.3 42.8 -61.3 -38.0 -15.1 5.0 12.2 92 95 A F H >45S+ 0 0 30 -6,-0.2 3,-0.8 3,-0.2 -2,-0.2 0.907 112.7 48.8 -75.6 -50.1 -13.7 8.5 12.3 93 96 A K H 3<5S+ 0 0 134 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.843 113.3 48.4 -63.8 -37.0 -16.9 10.5 12.1 94 97 A S T 3<5S- 0 0 59 -4,-2.2 175,-0.3 -5,-0.2 -1,-0.3 0.515 104.4-131.7 -80.0 -8.8 -18.6 8.4 14.8 95 98 A G T < 5 + 0 0 28 -3,-0.8 -3,-0.2 -4,-0.2 177,-0.1 0.811 59.4 141.6 60.0 35.4 -15.5 8.8 17.1 96 99 A R < + 0 0 23 -5,-1.6 170,-3.5 -6,-0.2 2,-0.3 0.027 48.9 84.3 -93.4 25.0 -15.4 5.1 17.8 97 100 A Y E -B 265 0B 43 168,-0.2 2,-0.4 -6,-0.2 168,-0.2 -0.842 63.2-152.0-122.6 162.1 -11.6 5.1 17.7 98 101 A V E -B 264 0B 8 166,-1.5 166,-2.4 -2,-0.3 2,-0.4 -0.982 13.8-172.2-135.3 122.8 -9.0 5.9 20.4 99 102 A T E -B 263 0B 9 -2,-0.4 2,-0.4 164,-0.2 164,-0.2 -0.987 1.8-175.2-121.2 130.0 -5.6 7.3 19.3 100 103 A V E -B 262 0B 0 162,-2.7 162,-2.9 -2,-0.4 -28,-0.2 -0.959 30.5-113.0-123.5 140.8 -2.7 7.8 21.7 101 104 A Q E -B 261 0B 0 -30,-3.0 160,-0.3 -2,-0.4 2,-0.3 -0.490 40.1-174.1 -68.3 140.8 0.6 9.3 20.9 102 105 A G E -B 260 0B 0 158,-1.8 2,-1.9 144,-0.1 158,-0.9 -0.819 42.4 -84.7-131.7 168.5 3.5 6.8 21.1 103 106 A I E > S-B 259 0B 1 -2,-0.3 4,-2.3 585,-0.2 156,-0.2 -0.597 89.4 -67.0 -78.8 81.3 7.3 7.0 20.8 104 107 A S H > S- 0 0 2 -2,-1.9 4,-1.6 154,-0.8 156,-0.3 -0.130 89.1 -45.3 61.4-163.1 7.3 6.7 17.0 105 108 A G H > S+ 0 0 6 154,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.887 139.9 53.4 -65.5 -41.5 6.1 3.5 15.4 106 109 A T H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.941 110.1 44.9 -58.9 -53.9 8.1 1.3 17.7 107 110 A G H X S+ 0 0 4 -4,-2.3 4,-2.6 582,-0.4 -1,-0.2 0.868 114.3 51.3 -55.9 -42.3 6.8 2.7 20.9 108 111 A S H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.864 108.8 50.5 -63.9 -41.4 3.3 2.6 19.5 109 112 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.894 113.3 46.2 -62.9 -44.7 3.7 -1.1 18.5 110 113 A R H X S+ 0 0 18 -4,-2.5 4,-2.5 578,-0.3 -2,-0.2 0.884 109.0 53.2 -66.8 -43.2 4.9 -1.9 22.1 111 114 A V H X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.906 112.2 47.6 -57.2 -45.8 2.1 0.1 23.8 112 115 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.850 110.1 51.0 -62.2 -41.4 -0.3 -2.0 21.6 113 116 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.868 111.6 47.9 -64.0 -41.3 1.5 -5.2 22.6 114 117 A N H X S+ 0 0 19 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.828 110.0 52.6 -68.0 -37.4 1.3 -4.4 26.3 115 118 A F H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.904 111.1 46.9 -66.3 -43.9 -2.4 -3.5 25.9 116 119 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.879 109.2 53.5 -64.6 -43.9 -3.1 -6.9 24.2 117 120 A Q H < S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.904 116.6 40.6 -55.6 -46.2 -1.1 -8.8 26.9 118 121 A R H < S+ 0 0 91 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.914 132.1 15.1 -69.8 -50.4 -3.3 -7.0 29.5 119 122 A F H < S+ 0 0 29 -4,-2.7 2,-1.6 -5,-0.1 -3,-0.2 0.562 92.9 94.8-107.2 -15.2 -6.8 -7.1 28.0 120 123 A F >< + 0 0 1 -4,-2.4 3,-0.7 -5,-0.3 -1,-0.1 -0.689 45.5 172.6 -84.5 86.4 -7.0 -9.5 25.1 121 124 A K T 3 + 0 0 135 -2,-1.6 -1,-0.2 284,-0.3 3,-0.1 0.745 60.7 74.3 -65.8 -28.5 -8.3 -12.5 27.1 122 125 A F T 3 S- 0 0 61 -3,-0.1 2,-0.3 283,-0.1 -1,-0.2 0.680 107.0 -14.0 -60.8 -30.9 -8.9 -14.6 24.0 123 126 A S < - 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