==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-OCT-08 3F1X . COMPND 2 MOLECULE: SERINE ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES VULGATUS ATCC 8482; . AUTHOR A.P.KUZIN,Y.CHEN,J.SEETHARAMAN,S.SAHDEV,D.WANG,L.MAO,K.CUNNI . 276 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 21 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 0 1 1 1 0 1 0 2 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 9 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 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 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 T 0 0 156 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.2 29.9 46.3 87.5 2 3 A T - 0 0 107 4,-0.0 2,-0.1 3,-0.0 0, 0.0 -0.910 360.0-178.6-110.8 112.7 31.0 45.8 83.9 3 4 A F > - 0 0 109 -2,-0.6 4,-0.6 1,-0.1 3,-0.4 -0.429 46.2 -97.9 -95.5 177.1 28.6 44.1 81.5 4 5 A N T 4 S+ 0 0 143 1,-0.2 4,-0.3 -2,-0.1 3,-0.1 0.775 126.1 45.2 -69.2 -23.3 29.4 43.3 77.9 5 6 A Y T > S+ 0 0 118 1,-0.1 4,-2.1 2,-0.1 -1,-0.2 0.602 91.2 87.4 -94.0 -12.3 27.5 46.5 76.8 6 7 A T H > S+ 0 0 31 -3,-0.4 4,-2.0 1,-0.2 5,-0.2 0.916 91.7 39.9 -52.8 -56.3 29.1 48.8 79.5 7 8 A N H X S+ 0 0 106 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.756 111.1 60.1 -69.2 -23.0 32.2 49.9 77.6 8 9 A I H > S+ 0 0 114 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.933 108.3 44.6 -68.3 -43.9 30.2 50.2 74.4 9 10 A L H X S+ 0 0 105 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.909 113.5 48.5 -66.1 -45.0 28.0 52.8 76.0 10 11 A T H X S+ 0 0 72 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.911 111.7 49.5 -65.0 -40.5 30.8 54.7 77.6 11 12 A Q H X S+ 0 0 99 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.893 109.4 53.1 -65.7 -36.5 32.8 54.8 74.4 12 13 A A H X S+ 0 0 41 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.938 108.7 49.5 -62.9 -45.7 29.7 56.0 72.5 13 14 A V H X S+ 0 0 80 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.909 108.2 53.3 -60.2 -43.5 29.2 58.9 75.0 14 15 A D H < S+ 0 0 96 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.916 111.9 45.0 -58.5 -44.9 32.9 60.0 74.7 15 16 A E H >< S+ 0 0 111 -4,-2.0 3,-0.8 1,-0.2 4,-0.3 0.868 113.7 49.5 -66.4 -40.0 32.6 60.2 70.9 16 17 A L H 3< S+ 0 0 142 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.743 102.1 64.5 -71.9 -24.3 29.3 62.0 71.1 17 18 A S T 3< S+ 0 0 94 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 0.087 104.6 40.5 -90.1 23.9 30.6 64.6 73.6 18 19 A E < + 0 0 119 -3,-0.8 -2,-0.1 4,-0.0 -3,-0.1 0.351 50.5 149.0-128.5-100.0 33.2 66.2 71.4 19 20 A S - 0 0 32 -4,-0.3 -3,-0.0 1,-0.1 -4,-0.0 0.973 14.4-177.8 54.2 87.9 33.0 67.2 67.7 20 21 A Q S S+ 0 0 162 1,-0.2 3,-0.4 2,-0.1 -1,-0.1 0.767 92.9 43.7 -80.7 -26.0 35.1 70.2 67.0 21 22 A S S > S+ 0 0 109 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.831 104.1 62.8 -84.6 -36.4 33.9 70.0 63.4 22 23 A Y T 3 S+ 0 0 159 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.100 73.5 89.8 -77.5 24.9 30.3 69.3 64.4 23 24 A K T > S- 0 0 112 -3,-0.4 3,-0.6 1,-0.1 -1,-0.3 0.432 85.6-175.9 -88.1 -6.0 30.3 72.7 66.0 24 25 A G T < - 0 0 33 -3,-1.6 -1,-0.1 1,-0.2 -2,-0.1 0.232 48.7 -53.9 41.2-162.3 29.2 73.1 62.4 25 26 A L T 3 S+ 0 0 181 -3,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.172 97.8 136.7 -87.4 15.9 28.5 76.3 60.7 26 27 A F < - 0 0 123 -3,-0.6 3,-0.1 1,-0.0 0, 0.0 -0.530 54.0-137.4 -64.7 116.8 26.3 76.6 63.8 27 28 A H - 0 0 102 -2,-0.4 2,-0.5 1,-0.1 -1,-0.0 -0.138 36.4 -80.1 -66.6 175.6 26.9 80.2 64.9 28 29 A Q - 0 0 163 3,-0.0 2,-0.5 1,-0.0 -1,-0.1 -0.718 38.7-154.3 -88.4 125.7 27.2 80.6 68.7 29 30 A H - 0 0 60 -2,-0.5 63,-0.1 -3,-0.1 3,-0.1 -0.853 29.0-112.9 -95.5 125.6 24.1 80.7 70.8 30 31 A K > - 0 0 120 -2,-0.5 3,-1.5 61,-0.3 2,-0.1 -0.303 29.7-112.1 -60.3 137.1 24.5 82.6 74.0 31 32 A D T 3 S+ 0 0 161 1,-0.2 -1,-0.1 -2,-0.0 -3,-0.0 -0.430 103.1 33.0 -66.3 144.7 24.4 80.6 77.2 32 33 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.1 0.158 87.2 124.9 95.2 -20.6 21.3 81.4 79.2 33 34 A D < - 0 0 57 -3,-1.5 -1,-0.3 1,-0.1 2,-0.2 -0.503 61.9-121.1 -75.6 141.9 19.1 82.2 76.2 34 35 A P - 0 0 42 0, 0.0 57,-0.1 0, 0.0 58,-0.1 -0.549 22.8-137.9 -81.4 148.8 15.8 80.3 76.0 35 36 A L - 0 0 113 -2,-0.2 53,-0.1 1,-0.1 54,-0.1 -0.755 34.0 -83.7-105.2 153.5 15.2 78.1 72.9 36 37 A P - 0 0 23 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.272 43.2-146.2 -55.7 137.1 11.9 77.9 71.0 37 38 A S > - 0 0 36 1,-0.2 4,-2.8 -3,-0.0 5,-0.2 -0.932 13.9-162.0-113.0 114.1 9.5 75.4 72.6 38 39 A A H > S+ 0 0 61 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.871 96.3 55.7 -58.9 -34.0 7.2 73.5 70.3 39 40 A K H > S+ 0 0 170 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.944 110.0 41.8 -64.2 -49.4 5.2 72.8 73.5 40 41 A S H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.900 113.8 54.5 -64.2 -40.6 4.7 76.4 74.3 41 42 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.863 105.2 52.9 -62.4 -36.3 4.1 77.2 70.7 42 43 A Y H X S+ 0 0 110 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.953 110.5 47.3 -63.5 -47.4 1.3 74.6 70.5 43 44 A K H X S+ 0 0 121 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.886 110.1 54.8 -59.4 -39.6 -0.4 76.2 73.6 44 45 A I H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.940 109.1 44.8 -60.9 -50.3 0.0 79.6 71.9 45 46 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.878 112.5 52.8 -63.4 -37.4 -1.7 78.7 68.7 46 47 A E H X S+ 0 0 50 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.883 110.2 47.3 -66.4 -36.9 -4.5 76.9 70.6 47 48 A L H X S+ 0 0 24 -4,-2.1 4,-1.6 2,-0.2 5,-0.2 0.889 108.7 55.0 -69.6 -39.5 -5.2 80.0 72.8 48 49 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 3,-0.2 0.920 109.3 48.2 -58.7 -42.8 -5.2 82.2 69.7 49 50 A R H X S+ 0 0 7 -4,-2.0 4,-2.7 1,-0.2 8,-0.2 0.874 110.0 51.4 -62.5 -42.5 -7.9 79.9 68.2 50 51 A A H < S+ 0 0 7 -4,-1.8 5,-0.4 7,-0.3 8,-0.2 0.724 114.2 44.0 -68.9 -24.9 -9.9 80.1 71.4 51 52 A I H < S+ 0 0 7 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.822 115.5 46.4 -87.2 -37.9 -9.7 83.8 71.4 52 53 A I H < S+ 0 0 4 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.889 125.4 31.6 -71.2 -40.1 -10.5 84.2 67.7 53 54 A F S >X>S- 0 0 18 -4,-2.7 3,-1.8 -5,-0.2 4,-1.2 -0.680 91.6-154.9-118.3 75.4 -13.4 81.7 67.8 54 55 A P T 345S+ 0 0 43 0, 0.0 -3,-0.1 0, 0.0 13,-0.1 -0.213 74.2 12.0 -55.3 131.2 -14.8 82.3 71.4 55 56 A G T 345S+ 0 0 30 -5,-0.4 4,-0.1 12,-0.1 -5,-0.1 0.233 114.2 76.7 88.3 -16.6 -16.6 79.3 72.9 56 57 A Y T <45S+ 0 0 114 -3,-1.8 -6,-0.1 -6,-0.2 -1,-0.1 0.837 124.6 0.6 -91.5 -41.5 -15.5 76.9 70.2 57 58 A F T <5S+ 0 0 56 -4,-1.2 -7,-0.3 -8,-0.2 -6,-0.1 0.370 128.3 75.3-119.1 -10.3 -12.0 76.4 71.5 58 59 A G S - 0 0 59 -2,-0.3 3,-1.5 1,-0.1 4,-0.4 -0.670 24.4-173.9-158.9 98.5 -22.0 79.4 78.3 64 65 A S G > S+ 0 0 93 1,-0.3 3,-0.5 -2,-0.2 4,-0.3 0.731 85.1 67.0 -64.9 -22.4 -22.8 82.9 77.1 65 66 A H G 3 S+ 0 0 153 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.532 107.5 37.3 -78.3 -4.4 -22.4 84.3 80.6 66 67 A T G <> S+ 0 0 30 -3,-1.5 4,-2.3 2,-0.1 5,-0.2 0.356 78.5 105.1-128.3 6.7 -18.6 83.6 80.6 67 68 A I H <> S+ 0 0 46 -3,-0.5 4,-1.8 -4,-0.4 5,-0.1 0.920 87.9 44.8 -53.6 -48.7 -17.4 84.3 77.0 68 69 A N H > S+ 0 0 129 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.874 108.8 55.8 -65.7 -39.6 -15.7 87.5 78.1 69 70 A Y H > S+ 0 0 169 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.947 110.1 47.3 -58.0 -47.5 -14.2 86.1 81.2 70 71 A H H X S+ 0 0 66 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.852 108.8 53.0 -63.5 -36.6 -12.5 83.4 79.1 71 72 A I H X S+ 0 0 45 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.907 110.4 49.9 -64.5 -40.0 -11.3 85.9 76.5 72 73 A G H X S+ 0 0 44 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.928 115.0 41.0 -63.7 -48.1 -9.7 87.9 79.4 73 74 A V H X S+ 0 0 77 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.918 116.1 50.8 -67.1 -43.5 -7.9 84.9 80.9 74 75 A N H X S+ 0 0 22 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.881 107.2 52.6 -63.3 -39.9 -6.9 83.5 77.5 75 76 A V H X S+ 0 0 42 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.906 111.3 48.1 -62.8 -40.2 -5.4 86.8 76.3 76 77 A E H X S+ 0 0 139 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.912 112.3 47.1 -66.6 -43.8 -3.3 87.0 79.5 77 78 A T H X S+ 0 0 60 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.937 113.9 49.0 -63.3 -45.2 -2.0 83.4 79.2 78 79 A L H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.3 0.906 108.4 54.3 -59.4 -44.4 -1.3 84.0 75.5 79 80 A F H X S+ 0 0 79 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.914 110.3 45.0 -57.4 -47.5 0.6 87.2 76.3 80 81 A G H X S+ 0 0 43 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.952 118.1 43.0 -62.0 -51.0 2.9 85.5 78.9 81 82 A L H X S+ 0 0 44 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.923 114.7 49.2 -61.2 -48.3 3.6 82.6 76.6 82 83 A L H X S+ 0 0 1 -4,-3.4 4,-2.3 -5,-0.2 5,-0.2 0.823 105.1 58.4 -64.3 -32.9 4.0 84.6 73.4 83 84 A T H X S+ 0 0 7 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.957 108.4 46.0 -61.7 -47.4 6.4 87.0 75.1 84 85 A E H X S+ 0 0 62 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.887 114.0 47.0 -63.0 -41.2 8.8 84.2 76.0 85 86 A Q H X S+ 0 0 7 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.867 110.7 51.0 -71.7 -36.0 8.7 82.6 72.5 86 87 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.910 109.5 52.5 -66.2 -38.7 9.2 85.9 70.7 87 88 A L H X S+ 0 0 13 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.907 108.4 50.6 -62.1 -40.2 12.2 86.4 73.0 88 89 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.901 110.0 50.7 -64.1 -39.8 13.5 83.0 72.0 89 90 A G H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.942 109.7 48.3 -63.2 -48.8 13.1 83.9 68.4 90 91 A L H < S+ 0 0 43 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.898 113.9 48.6 -58.8 -40.8 14.9 87.2 68.6 91 92 A C H < S+ 0 0 24 -4,-2.1 -61,-0.3 -5,-0.2 -1,-0.2 0.833 107.4 56.8 -68.8 -34.7 17.8 85.4 70.5 92 93 A F H < 0 0 72 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.998 360.0 360.0 -60.8 -73.8 18.0 82.6 68.0 93 94 A G < 0 0 71 -4,-1.4 -1,-0.2 -64,-0.0 -64,-0.0 -0.893 360.0 360.0-134.9 360.0 18.7 84.5 64.8 94 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 95 104 A D 0 0 190 0, 0.0 2,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -77.9 23.4 96.5 71.6 96 105 A N + 0 0 157 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.688 360.0 143.0 -98.4 83.0 20.8 93.9 70.5 97 106 A E - 0 0 106 -2,-1.1 -1,-0.1 0, 0.0 -6,-0.1 -0.646 65.0-112.1-116.9 68.2 20.7 91.3 73.3 98 107 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.484 35.2-160.3 -5.0 103.7 16.9 90.7 73.2 99 108 A C >> - 0 0 43 1,-0.1 3,-1.5 0, 0.0 4,-1.4 -0.767 28.2-120.2 -97.9 145.5 15.4 92.0 76.4 100 109 A R H 3> S+ 0 0 117 -2,-0.3 4,-3.6 1,-0.3 5,-0.3 0.799 111.2 71.7 -52.4 -29.8 11.9 90.8 77.4 101 110 A E H 3> S+ 0 0 149 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.899 100.5 42.9 -53.1 -45.2 10.9 94.4 77.2 102 111 A T H <> S+ 0 0 68 -3,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.914 116.2 48.1 -68.6 -43.9 11.1 94.3 73.4 103 112 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.855 107.5 55.1 -66.8 -37.0 9.4 90.8 73.2 104 113 A S H X S+ 0 0 34 -4,-3.6 4,-2.0 2,-0.2 -1,-0.2 0.885 108.4 47.6 -67.2 -36.9 6.6 91.8 75.5 105 114 A L H X S+ 0 0 92 -4,-1.4 4,-2.8 -5,-0.3 -1,-0.2 0.907 111.9 49.6 -70.3 -40.3 5.6 94.8 73.3 106 115 A L H X S+ 0 0 33 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.923 110.7 51.3 -62.9 -41.4 5.7 92.8 70.1 107 116 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.907 111.7 46.4 -62.1 -40.8 3.5 90.1 71.8 108 117 A A H X S+ 0 0 40 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.895 109.8 54.4 -68.2 -39.0 1.1 92.8 72.8 109 118 A R H < S+ 0 0 128 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.909 108.2 50.0 -60.3 -42.5 1.2 94.3 69.3 110 119 A F H >< S+ 0 0 1 -4,-2.5 3,-2.1 1,-0.2 4,-0.3 0.945 108.1 52.4 -60.9 -48.4 0.3 90.8 67.9 111 120 A I H >< S+ 0 0 28 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.834 100.6 61.3 -57.4 -34.2 -2.6 90.5 70.4 112 121 A S T 3< S+ 0 0 72 -4,-1.9 -1,-0.3 1,-0.3 4,-0.3 0.605 100.2 58.4 -68.6 -10.6 -4.0 93.8 69.2 113 122 A K T <> S+ 0 0 64 -3,-2.1 4,-2.5 -4,-0.4 -1,-0.3 0.512 78.7 89.9 -94.9 -8.5 -4.3 92.2 65.8 114 123 A L H <> S+ 0 0 9 -3,-1.6 4,-2.5 -4,-0.3 5,-0.2 0.848 82.0 56.4 -58.5 -37.1 -6.6 89.4 66.9 115 124 A P H > S+ 0 0 65 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.928 111.7 43.5 -62.5 -39.5 -9.7 91.4 66.2 116 125 A E H > S+ 0 0 82 -3,-0.3 4,-2.3 -4,-0.3 -2,-0.2 0.896 111.3 53.7 -70.3 -40.7 -8.6 91.8 62.6 117 126 A L H X S+ 0 0 7 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.907 107.2 52.5 -60.4 -39.6 -7.5 88.2 62.3 118 127 A R H X S+ 0 0 99 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.901 108.2 51.3 -61.8 -41.3 -11.0 87.2 63.4 119 128 A R H X S+ 0 0 147 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.895 114.7 41.8 -63.3 -42.2 -12.5 89.4 60.7 120 129 A I H >X S+ 0 0 24 -4,-2.3 4,-1.4 2,-0.2 3,-0.9 0.952 113.8 50.0 -71.4 -49.0 -10.3 87.8 58.0 121 130 A L H 3X S+ 0 0 1 -4,-3.1 4,-2.4 1,-0.3 5,-0.2 0.846 102.4 64.4 -58.6 -33.1 -10.6 84.2 59.2 122 131 A A H 3X S+ 0 0 37 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.3 0.886 102.2 48.5 -57.7 -38.5 -14.4 84.8 59.3 123 132 A T H < S+ 0 0 84 -4,-1.9 3,-1.7 2,-0.2 6,-0.3 0.970 112.8 49.3 -75.2 -58.9 -19.0 76.7 53.9 130 139 A Y H 3< S+ 0 0 180 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.732 116.9 41.7 -55.8 -26.8 -20.5 78.3 50.8 131 140 A G T 3< S+ 0 0 32 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.313 103.4 72.1-106.8 11.2 -18.4 76.3 48.3 132 141 A D X - 0 0 21 -3,-1.7 3,-2.8 -4,-0.1 -1,-0.2 -0.838 52.1-174.4-128.9 93.6 -18.6 72.9 50.1 133 142 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.778 90.2 62.9 -55.9 -24.3 -21.9 71.1 49.9 134 143 A A T 3 S+ 0 0 74 -3,-0.1 2,-0.4 2,-0.0 -5,-0.1 0.622 87.6 85.6 -75.4 -14.1 -20.4 68.6 52.3 135 144 A A < + 0 0 7 -3,-2.8 3,-0.1 -6,-0.3 -3,-0.1 -0.737 52.6 174.7 -87.3 136.6 -20.1 71.4 54.8 136 145 A T + 0 0 105 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.299 58.3 20.2-128.1 10.8 -23.3 71.8 56.8 137 146 A C > - 0 0 62 1,-0.1 4,-1.6 2,-0.0 -1,-0.3 -0.909 60.6-127.7-174.9 145.1 -22.5 74.4 59.5 138 147 A F H > S+ 0 0 87 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.891 114.6 55.6 -64.0 -37.1 -20.0 77.2 60.3 139 148 A G H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.853 103.9 50.5 -63.2 -38.8 -19.5 75.4 63.6 140 149 A E H >>S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 5,-0.6 0.862 111.1 51.1 -67.8 -36.8 -18.5 72.1 62.1 141 150 A I H X5S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 7,-0.2 0.959 113.6 41.1 -65.8 -52.6 -16.0 73.9 59.9 142 151 A I H <5S+ 0 0 15 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.885 116.2 53.4 -62.5 -39.5 -14.2 75.8 62.7 143 152 A S H <5S- 0 0 51 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.809 131.2 -4.3 -69.7 -36.4 -14.4 72.7 64.9 144 153 A C H <5S+ 0 0 73 -4,-1.9 -3,-0.2 -3,-0.1 -2,-0.2 0.514 88.1 117.0-140.0 -5.4 -12.8 70.0 62.8 145 154 A Y X< - 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