==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAY-06 2H3U . COMPND 2 MOLECULE: CARNITINE ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.S.HSIAO,G.JOGL,L.TONG . 1198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 819 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 9.6 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.6 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 . 2 0.2 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 . 60 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 446 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.6 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 2 4 0 2 0 2 3 4 4 4 3 0 2 0 0 4 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 4 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 PARALLEL BRIDGES PER LADDER . 6 1 3 6 2 4 0 2 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 2 0 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 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 27 A S 0 0 16 0, 0.0 2,-0.2 0, 0.0 144,-0.1 0.000 360.0 360.0 360.0-159.9 67.3 6.0 18.2 2 28 A H >> - 0 0 86 1,-0.2 4,-2.1 130,-0.1 3,-0.7 -0.325 360.0-145.2 -52.6 114.9 70.3 4.6 20.0 3 29 A M H 3> S+ 0 0 138 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.867 95.3 59.3 -52.1 -44.6 71.8 7.6 21.8 4 30 A A H 3> S+ 0 0 68 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.871 111.3 42.6 -54.5 -39.1 75.4 6.4 21.4 5 31 A H H X> S+ 0 0 32 -3,-0.7 4,-0.9 2,-0.2 3,-0.6 0.956 110.9 51.9 -72.5 -54.6 74.9 6.3 17.6 6 32 A Q H 3< S+ 0 0 10 -4,-2.1 3,-0.2 1,-0.2 -2,-0.2 0.783 108.7 53.2 -54.8 -31.8 73.0 9.6 17.1 7 33 A D H 3< S+ 0 0 93 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.841 103.4 54.0 -75.4 -34.6 75.7 11.5 19.1 8 34 A A H << S+ 0 0 87 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.655 92.1 97.9 -74.1 -14.4 78.6 10.3 17.0 9 35 A L S < S- 0 0 9 -4,-0.9 425,-0.1 -3,-0.2 2,-0.1 -0.483 81.7-109.0 -78.1 144.5 76.9 11.5 13.9 10 36 A P - 0 0 68 0, 0.0 425,-2.1 0, 0.0 2,-0.2 -0.364 32.5-113.1 -71.3 149.3 77.8 14.9 12.3 11 37 A R - 0 0 90 423,-0.2 59,-0.1 1,-0.1 425,-0.1 -0.530 42.7 -85.0 -83.0 149.8 75.3 17.8 12.5 12 38 A L - 0 0 12 57,-0.4 59,-0.4 423,-0.4 -1,-0.1 -0.308 53.1-137.9 -55.1 121.5 73.6 19.2 9.4 13 39 A P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 421,-0.0 -0.274 4.5-126.8 -80.0 168.3 76.0 21.7 7.9 14 40 A V - 0 0 26 -2,-0.0 3,-0.1 474,-0.0 474,-0.1 -0.960 31.1-133.1-116.0 107.4 75.3 25.1 6.4 15 41 A P - 0 0 11 0, 0.0 473,-0.1 0, 0.0 472,-0.0 -0.143 34.0 -84.9 -57.8 155.9 76.8 25.3 2.9 16 42 A P > - 0 0 70 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.346 34.3-129.0 -63.0 144.3 78.8 28.4 1.9 17 43 A L H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.927 106.3 43.3 -61.3 -50.7 76.7 31.3 0.6 18 44 A Q H > S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.895 112.4 54.9 -65.0 -39.0 78.7 31.9 -2.6 19 45 A Q H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.949 110.7 43.3 -58.8 -53.3 78.9 28.1 -3.3 20 46 A S H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.898 113.0 51.6 -60.9 -43.1 75.2 27.5 -3.1 21 47 A L H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.814 107.9 54.8 -64.3 -29.8 74.3 30.7 -5.2 22 48 A D H X S+ 0 0 66 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.962 110.0 43.8 -66.9 -51.7 76.8 29.4 -7.8 23 49 A Y H X S+ 0 0 52 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.837 109.5 59.6 -61.5 -34.2 75.0 26.1 -8.1 24 50 A Y H X S+ 0 0 1 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.957 105.5 46.5 -59.2 -53.1 71.7 27.9 -8.1 25 51 A L H X S+ 0 0 14 -4,-1.9 4,-1.6 1,-0.2 3,-0.3 0.875 112.7 51.3 -58.2 -40.1 72.6 29.9 -11.2 26 52 A K H < S+ 0 0 99 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.941 109.2 48.7 -63.2 -48.4 73.9 26.8 -13.0 27 53 A A H < S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.665 111.0 54.0 -66.9 -16.8 70.7 24.7 -12.3 28 54 A L H >X S+ 0 0 1 -4,-1.1 3,-2.1 -3,-0.3 4,-1.3 0.825 87.3 77.5 -86.0 -36.1 68.6 27.6 -13.6 29 55 A Q T 3< S+ 0 0 104 -4,-1.6 3,-0.4 1,-0.3 -2,-0.1 0.846 96.3 46.3 -43.5 -46.8 70.3 28.1 -17.0 30 56 A P T 34 S+ 0 0 14 0, 0.0 392,-0.4 0, 0.0 -1,-0.3 0.610 119.4 40.2 -76.1 -9.2 68.5 25.1 -18.5 31 57 A I T <4 S+ 0 0 21 -3,-2.1 2,-0.3 -4,-0.1 -2,-0.2 0.422 109.3 55.9-119.4 1.2 65.1 26.0 -17.2 32 58 A V S < S- 0 0 17 -4,-1.3 -1,-0.1 -3,-0.4 484,-0.0 -0.959 84.1-100.3-134.7 152.9 64.9 29.8 -17.6 33 59 A S > - 0 0 48 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.234 36.2-111.5 -66.3 158.7 65.3 32.3 -20.4 34 60 A E H > S+ 0 0 158 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.872 117.6 56.3 -58.6 -39.0 68.5 34.2 -20.9 35 61 A E H > S+ 0 0 136 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.928 109.1 45.0 -59.5 -47.7 66.8 37.4 -19.9 36 62 A E H > S+ 0 0 57 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.879 111.5 53.9 -64.9 -38.6 65.6 36.0 -16.6 37 63 A W H X S+ 0 0 71 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.924 106.8 50.6 -62.5 -46.4 69.0 34.5 -15.9 38 64 A A H X S+ 0 0 52 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.912 112.6 47.3 -58.1 -43.7 70.9 37.8 -16.4 39 65 A H H X S+ 0 0 93 -4,-1.8 4,-1.9 2,-0.2 3,-0.4 0.948 113.3 47.0 -63.2 -49.4 68.4 39.4 -14.0 40 66 A T H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.887 106.6 59.7 -60.0 -38.7 68.8 36.7 -11.4 41 67 A K H X S+ 0 0 70 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.882 105.6 48.8 -56.4 -40.5 72.6 36.9 -11.9 42 68 A Q H X S+ 0 0 124 -4,-1.5 4,-2.0 -3,-0.4 5,-0.2 0.933 108.2 52.3 -66.2 -47.3 72.4 40.5 -10.8 43 69 A L H X S+ 0 0 29 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.891 108.2 53.0 -55.9 -42.5 70.3 39.8 -7.7 44 70 A V H X S+ 0 0 2 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.928 105.6 51.9 -61.3 -48.3 72.8 37.1 -6.6 45 71 A D H X S+ 0 0 71 -4,-1.7 4,-0.6 1,-0.2 3,-0.5 0.933 115.8 41.2 -54.5 -49.5 75.8 39.4 -6.8 46 72 A E H >< S+ 0 0 137 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.948 109.5 59.6 -62.6 -50.1 74.1 42.0 -4.6 47 73 A F H 3< S+ 0 0 11 -4,-3.0 7,-1.2 1,-0.3 8,-0.4 0.737 114.4 36.2 -51.2 -28.5 72.7 39.4 -2.3 48 74 A Q H 3< S+ 0 0 43 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.412 85.1 124.4-110.1 2.1 76.2 38.2 -1.4 49 75 A T S X< S- 0 0 66 -3,-1.5 3,-1.8 -4,-0.6 6,-0.4 -0.229 77.2 -81.7 -61.0 152.3 78.2 41.4 -1.4 50 76 A S T 3 S+ 0 0 106 1,-0.3 -1,-0.1 5,-0.1 3,-0.1 -0.293 118.3 12.2 -56.8 133.5 80.1 42.2 1.8 51 77 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.716 106.6 129.2 71.0 20.9 77.9 43.8 4.4 52 78 A G S <> S- 0 0 9 -3,-1.8 4,-1.4 -4,-0.1 -1,-0.2 -0.268 74.8 -90.7 -99.1-173.2 74.8 42.8 2.4 53 79 A V H > S+ 0 0 62 -7,-0.2 4,-2.2 1,-0.2 3,-0.4 0.967 120.5 48.5 -60.7 -58.6 71.5 41.1 3.0 54 80 A G H > S+ 0 0 0 -7,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.852 107.0 56.2 -52.5 -42.1 72.6 37.5 2.2 55 81 A E H > S+ 0 0 73 -8,-0.4 4,-1.8 -6,-0.4 -1,-0.2 0.915 109.4 46.5 -58.8 -43.8 75.7 37.8 4.4 56 82 A R H X S+ 0 0 139 -4,-1.4 4,-1.7 -3,-0.4 -2,-0.2 0.901 112.4 49.0 -66.0 -42.1 73.6 38.6 7.4 57 83 A L H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.892 108.6 55.0 -64.5 -39.1 71.1 35.9 6.7 58 84 A Q H X S+ 0 0 9 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.909 105.6 51.3 -60.7 -43.0 73.9 33.4 6.3 59 85 A K H X S+ 0 0 93 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.881 106.7 55.7 -61.4 -38.1 75.3 34.4 9.8 60 86 A G H X S+ 0 0 2 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.928 106.3 49.9 -59.8 -45.5 71.8 33.8 11.2 61 87 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.904 109.7 50.7 -60.9 -42.5 71.8 30.3 9.8 62 88 A E H X S+ 0 0 65 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.863 110.5 49.2 -66.2 -33.3 75.2 29.5 11.3 63 89 A R H >X S+ 0 0 119 -4,-2.1 4,-1.4 1,-0.2 3,-0.5 0.900 108.9 54.5 -69.5 -37.7 74.0 30.8 14.7 64 90 A R H 3X S+ 0 0 11 -4,-2.4 4,-1.0 1,-0.2 3,-0.4 0.905 104.2 53.4 -60.2 -43.7 70.9 28.6 14.3 65 91 A A H 3< S+ 0 0 32 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.763 108.8 51.0 -63.0 -26.2 73.1 25.5 13.7 66 92 A K H << S+ 0 0 172 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.753 112.8 44.3 -82.5 -26.6 74.9 26.3 17.0 67 93 A K H < S+ 0 0 143 -4,-1.4 2,-0.3 -3,-0.4 -2,-0.2 0.497 115.4 49.0 -96.2 -5.2 71.6 26.6 19.0 68 94 A M S < S- 0 0 63 -4,-1.0 3,-0.3 -5,-0.1 4,-0.0 -0.931 74.5-127.0-134.9 157.8 70.0 23.5 17.5 69 95 A E S S+ 0 0 119 1,-0.3 -57,-0.4 -2,-0.3 2,-0.3 0.808 109.1 10.8 -69.9 -30.3 70.7 19.8 16.9 70 96 A N - 0 0 9 -59,-0.1 4,-0.5 -6,-0.1 -1,-0.3 -0.907 68.6-153.9-149.8 115.9 69.7 20.3 13.3 71 97 A W S S+ 0 0 6 -59,-0.4 4,-0.3 -2,-0.3 -1,-0.1 0.739 96.0 40.4 -65.1 -22.5 69.1 23.8 11.9 72 98 A L S > S+ 0 0 12 2,-0.1 4,-2.9 3,-0.1 5,-0.3 0.769 88.9 90.2 -96.6 -31.8 66.7 22.6 9.3 73 99 A S H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.813 94.0 34.5 -31.1 -70.8 64.6 19.9 11.1 74 100 A E H > S+ 0 0 102 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.885 117.4 53.4 -61.4 -42.6 61.7 21.9 12.5 75 101 A W H > S+ 0 0 26 -4,-0.3 4,-2.4 1,-0.2 5,-0.3 0.923 112.6 44.7 -58.9 -46.2 61.5 24.3 9.5 76 102 A W H X S+ 0 0 35 -4,-2.9 4,-2.4 1,-0.2 5,-0.5 0.912 110.0 53.7 -65.9 -45.0 61.3 21.5 7.0 77 103 A L H X>S+ 0 0 54 -4,-2.3 5,-2.3 -5,-0.3 4,-1.4 0.901 115.3 41.3 -57.5 -41.7 58.7 19.5 9.0 78 104 A K H <>S+ 0 0 61 -4,-2.1 5,-3.5 3,-0.2 6,-0.3 0.954 119.6 39.6 -72.8 -52.5 56.4 22.5 9.2 79 105 A T H <5S+ 0 0 50 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.849 122.3 42.1 -68.1 -35.9 56.7 23.9 5.7 80 106 A A H <5S- 0 0 21 -4,-2.4 -1,-0.2 -5,-0.3 -3,-0.2 0.849 138.6 -8.7 -80.7 -35.6 56.7 20.6 4.0 81 107 A Y T ><5S+ 0 0 22 -4,-1.4 3,-1.2 -5,-0.5 -3,-0.2 0.717 123.7 52.7-127.7 -59.4 54.0 18.9 6.0 82 108 A L T 3 >S+ 0 0 1 138,-0.4 5,-3.1 140,-0.4 4,-2.1 0.831 81.7 97.5 -74.5 -27.8 47.3 14.2 2.9 89 115 A V B 45S-a 93 0A 0 137,-0.2 2,-3.0 1,-0.2 195,-0.1 -0.376 107.8 -17.9 -63.9 131.4 45.6 11.7 0.6 90 116 A I T 45S+ 0 0 1 193,-0.6 451,-2.4 3,-0.5 -1,-0.2 -0.200 134.7 66.2 67.1 -49.3 47.3 11.6 -2.8 91 117 A Y T 45S- 0 0 56 -2,-3.0 -1,-0.2 -4,-0.3 -2,-0.2 0.674 125.2 -4.0 -76.5 -17.3 49.0 15.0 -2.3 92 118 A S T <5S+ 0 0 11 -4,-2.1 -3,-0.2 1,-0.2 -4,-0.1 0.574 108.1 80.6-139.7 -52.1 51.3 13.9 0.6 93 119 A S B > S- 0 0 81 1,-0.1 4,-2.1 203,-0.0 3,-0.8 -0.746 89.5-102.9-116.2 166.3 39.9 -17.7 0.6 106 132 A L H 3> S+ 0 0 79 1,-0.3 4,-2.4 -2,-0.3 5,-0.2 0.818 120.7 60.4 -54.7 -32.1 39.1 -15.4 3.5 107 133 A Q H 3> S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.903 107.4 43.9 -63.8 -40.8 41.0 -17.8 5.7 108 134 A G H <> S+ 0 0 15 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.869 109.4 56.8 -71.1 -37.8 44.2 -17.3 3.7 109 135 A Q H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.950 113.6 39.4 -57.4 -50.2 43.7 -13.5 3.6 110 136 A L H X S+ 0 0 5 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.828 111.1 59.6 -68.9 -32.7 43.6 -13.4 7.4 111 137 A R H X S+ 0 0 94 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.920 109.8 42.7 -61.1 -44.0 46.3 -16.0 7.6 112 138 A F H X S+ 0 0 18 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.918 112.3 53.3 -68.7 -43.4 48.6 -13.6 5.6 113 139 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.914 108.8 49.5 -57.6 -44.4 47.4 -10.6 7.7 114 140 A A H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.887 111.2 49.3 -62.1 -39.7 48.3 -12.3 10.9 115 141 A K H X S+ 0 0 25 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.895 111.0 50.7 -65.6 -40.8 51.7 -13.2 9.5 116 142 A L H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.921 109.6 49.2 -62.8 -47.2 52.2 -9.6 8.5 117 143 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.923 112.3 48.5 -59.1 -46.1 51.3 -8.3 11.9 118 144 A E H X S+ 0 0 30 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.898 109.4 53.7 -62.1 -40.1 53.7 -10.7 13.5 119 145 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.903 109.6 47.0 -61.4 -41.7 56.4 -9.7 11.1 120 146 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.912 110.3 52.4 -66.7 -42.3 55.9 -6.0 12.0 121 147 A L H X S+ 0 0 4 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.798 107.7 53.8 -63.3 -27.9 56.0 -6.8 15.7 122 148 A D H X S+ 0 0 53 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.902 109.2 46.6 -72.7 -41.3 59.2 -8.7 15.1 123 149 A F H >X S+ 0 0 9 -4,-1.8 4,-1.1 1,-0.2 3,-0.7 0.896 107.8 57.5 -66.0 -39.9 60.8 -5.6 13.4 124 150 A K H 3X S+ 0 0 14 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.825 93.7 69.3 -60.0 -31.3 59.5 -3.5 16.3 125 151 A S H 3X S+ 0 0 42 -4,-1.0 4,-2.0 1,-0.3 -1,-0.2 0.920 99.8 46.8 -52.3 -47.8 61.5 -5.8 18.6 126 152 A M H <<>S+ 0 0 40 -4,-0.8 5,-2.2 -3,-0.7 6,-1.1 0.825 111.6 52.9 -65.0 -32.4 64.7 -4.3 17.3 127 153 A I H ><5S+ 0 0 1 -4,-1.1 3,-1.4 3,-0.2 -2,-0.2 0.971 111.4 42.9 -67.9 -54.7 63.3 -0.8 17.6 128 154 A D H 3<5S+ 0 0 71 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.812 120.5 44.1 -61.8 -30.3 62.3 -1.2 21.3 129 155 A N T 3<5S- 0 0 106 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.372 104.9-129.4 -95.9 4.0 65.6 -2.9 22.0 130 156 A E T < 5S+ 0 0 87 -3,-1.4 -3,-0.2 -4,-0.2 -4,-0.1 0.816 72.5 126.2 52.5 33.1 67.7 -0.5 19.9 131 157 A T < + 0 0 81 -5,-2.2 -4,-0.2 -6,-0.2 -1,-0.1 0.308 26.0 134.7-101.1 6.7 69.2 -3.5 18.2 132 158 A L - 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0 0 62 -3,-1.9 3,-1.4 1,-0.1 8,-0.1 -0.902 54.4-158.5-109.3 123.0 -28.5 -29.8 26.4 1059 485 B S T 3 S+ 0 0 125 -2,-0.5 -1,-0.1 1,-0.3 4,-0.1 0.824 92.1 65.7 -66.1 -31.8 -30.3 -31.5 23.4 1060 486 B T T 3 S+ 0 0 113 1,-0.1 -1,-0.3 2,-0.1 -5,-0.1 0.446 90.9 81.0 -71.0 3.8 -33.2 -32.7 25.6 1061 487 B V S < S- 0 0 16 -3,-1.4 5,-0.1 -6,-0.2 -1,-0.1 -0.921 81.4-136.4-116.3 107.5 -34.0 -29.0 26.0 1062 488 B P >> - 0 0 64 0, 0.0 4,-1.8 0, 0.0 3,-1.0 -0.222 26.7-111.5 -56.6 149.7 -35.9 -27.4 23.1 1063 489 B E H 3> S+ 0 0 93 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.841 119.1 60.1 -52.6 -36.0 -34.7 -24.0 22.0 1064 490 B Q H 3> S+ 0 0 136 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.882 105.9 47.4 -60.1 -39.2 -37.9 -22.5 23.4 1065 491 B Q H <> S+ 0 0 90 -3,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.851 106.9 55.9 -70.4 -36.4 -37.0 -23.9 26.8 1066 492 B K H X S+ 0 0 20 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.897 109.0 49.0 -61.4 -39.8 -33.5 -22.5 26.5 1067 493 B V H X S+ 0 0 6 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.928 110.0 49.5 -65.1 -47.3 -35.0 -19.1 25.9 1068 494 B E H X S+ 0 0 115 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.918 112.8 48.9 -58.8 -40.8 -37.3 -19.5 28.9 1069 495 B L H X S+ 0 0 45 -4,-2.8 4,-2.1 2,-0.2 -17,-0.2 0.858 109.4 52.1 -65.8 -37.8 -34.3 -20.5 31.0 1070 496 B L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.946 111.5 45.8 -64.6 -48.5 -32.3 -17.5 29.7 1071 497 B R H X S+ 0 0 52 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.906 112.1 51.2 -62.4 -40.6 -35.1 -15.1 30.7 1072 498 B K H X S+ 0 0 130 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.878 110.8 48.6 -64.8 -36.8 -35.5 -16.7 34.1 1073 499 B A H X S+ 0 0 1 -4,-2.1 4,-1.8 -25,-0.3 -1,-0.2 0.905 112.5 48.9 -69.0 -40.5 -31.8 -16.4 34.8 1074 500 B V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.941 111.8 48.1 -63.5 -48.4 -31.8 -12.8 33.7 1075 501 B Q H X S+ 0 0 102 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.867 108.4 54.5 -61.8 -37.1 -34.8 -11.9 35.8 1076 502 B A H X S+ 0 0 26 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.909 109.7 47.5 -63.1 -40.6 -33.3 -13.6 38.9 1077 503 B H H X S+ 0 0 11 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.850 110.5 51.7 -68.5 -35.0 -30.1 -11.5 38.5 1078 504 B R H X S+ 0 0 70 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.894 111.0 48.5 -67.7 -39.7 -32.2 -8.3 38.1 1079 505 B A H X S+ 0 0 38 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.883 111.1 49.0 -68.2 -39.2 -34.1 -9.2 41.3 1080 506 B Y H X S+ 0 0 23 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.912 111.6 51.4 -66.1 -41.2 -30.9 -9.9 43.2 1081 507 B T H X S+ 0 0 15 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.954 107.9 50.3 -59.9 -51.7 -29.5 -6.6 42.0 1082 508 B D H X S+ 0 0 52 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.858 112.8 47.7 -56.8 -36.7 -32.6 -4.7 43.1 1083 509 B R H ><>S+ 0 0 56 -4,-1.8 5,-3.2 2,-0.2 3,-0.6 0.929 109.9 53.3 -69.7 -43.5 -32.3 -6.3 46.5 1084 510 B A H ><5S+ 0 0 0 -4,-2.7 3,-1.8 4,-0.3 5,-0.3 0.914 107.2 48.0 -57.8 -50.1 -28.6 -5.5 46.7 1085 511 B I H 3<5S+ 0 0 13 -4,-2.4 -52,-0.3 1,-0.3 -1,-0.3 0.699 112.1 53.6 -67.5 -15.2 -28.8 -1.8 46.0 1086 512 B R T <<5S- 0 0 91 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.224 121.8-104.3-101.9 12.2 -31.6 -1.7 48.6 1087 513 B G T < 5S+ 0 0 6 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.713 91.1 114.4 74.6 22.0 -29.5 -3.3 51.4 1088 514 B E < + 0 0 78 -5,-3.2 -4,-0.3 -6,-0.1 -5,-0.1 0.250 45.2 101.7-106.6 9.5 -31.3 -6.7 51.1 1089 515 B A - 0 0 2 -6,-0.5 -47,-0.1 -5,-0.3 -469,-0.1 -0.258 65.2-141.7 -79.3-179.4 -28.3 -8.7 49.9 1090 516 B F S > S+ 0 0 0 -49,-0.3 4,-2.7 -470,-0.1 5,-0.2 0.562 73.2 87.0-125.6 -11.6 -26.5 -10.8 52.5 1091 517 B D H > S+ 0 0 1 -50,-0.4 4,-2.0 1,-0.2 5,-0.1 0.928 96.5 40.0 -60.5 -49.9 -22.7 -10.8 52.0 1092 518 B R H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.823 114.9 56.6 -67.1 -29.8 -21.9 -7.6 54.0 1093 519 B H H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.937 107.9 45.6 -66.1 -46.2 -24.4 -8.8 56.6 1094 520 B L H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.887 111.8 52.4 -64.1 -39.5 -22.6 -12.2 57.0 1095 521 B L H X S+ 0 0 28 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.932 109.3 51.3 -60.6 -43.8 -19.3 -10.4 57.2 1096 522 B G H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.896 106.9 51.0 -59.6 -44.3 -20.8 -8.2 59.9 1097 523 B L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.902 111.8 50.0 -60.8 -39.5 -22.0 -11.1 62.0 1098 524 B K H X S+ 0 0 63 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.935 112.1 45.2 -65.3 -46.7 -18.5 -12.5 61.7 1099 525 B L H X S+ 0 0 21 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.845 109.8 56.5 -66.0 -33.0 -16.8 -9.3 62.8 1100 526 B Q H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.885 104.5 52.8 -65.0 -39.7 -19.3 -8.9 65.6 1101 527 B A H X>S+ 0 0 0 -4,-1.8 5,-2.1 2,-0.2 4,-0.5 0.943 108.9 49.1 -60.5 -48.5 -18.3 -12.3 67.0 1102 528 B I H ><5S+ 0 0 96 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.915 114.6 45.5 -56.9 -44.0 -14.7 -11.3 67.0 1103 529 B E H 3<5S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.815 107.0 57.6 -70.9 -31.1 -15.6 -8.1 68.8 1104 530 B D H 3<5S- 0 0 53 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.531 111.4-123.0 -76.2 -5.8 -17.9 -9.9 71.3 1105 531 B L T <<5 + 0 0 158 -3,-0.9 2,-0.3 -4,-0.5 -3,-0.2 0.861 65.8 136.7 66.8 36.5 -14.9 -12.0 72.2 1106 532 B V < - 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