==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 26-SEP-11 3TZ2 . COMPND 2 MOLECULE: [3-METHYL-2-OXOBUTANOATE DEHYDROGENASE [LIPOAMIDE . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR S.C.TSO,J.L.CHUANG,W.J.GUI,R.M.WYNN,J.LI,D.T.CHUANG . 301 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15998.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 79.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 11.3 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 17 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 47.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 1 0 0 0 1 1 0 0 0 0 0 1 0 1 1 0 1 0 0 1 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 3 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 39 A R 0 0 178 0, 0.0 7,-3.5 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -60.7 6.6 -23.9 28.0 2 40 A L E +A 7 0A 105 300,-1.1 300,-0.2 5,-0.2 5,-0.2 -0.301 360.0 170.2 -87.9 164.6 5.3 -21.3 25.4 3 41 A T E > -A 6 0A 27 3,-1.7 3,-1.8 298,-0.1 2,-0.3 -0.934 53.2 -57.5-158.8 160.1 4.2 -21.5 21.8 4 42 A P T 3 S- 0 0 47 0, 0.0 3,-0.1 0, 0.0 273,-0.0 -0.360 118.6 -20.8 -56.7 117.2 2.5 -19.1 19.3 5 43 A T T 3 S+ 0 0 107 -2,-0.3 2,-0.3 1,-0.1 -3,-0.0 0.622 132.6 70.0 60.9 17.3 -0.8 -18.0 20.8 6 44 A M E < S-A 3 0A 7 -3,-1.8 -3,-1.7 2,-0.0 2,-0.4 -0.993 72.0-126.2-160.4 158.3 -0.8 -21.1 23.1 7 45 A M E -A 2 0A 79 -2,-0.3 2,-0.7 -5,-0.2 -5,-0.2 -0.943 4.2-157.6-119.7 129.4 1.0 -22.7 26.1 8 46 A L - 0 0 2 -7,-3.5 2,-0.2 -2,-0.4 127,-0.0 -0.915 34.7-123.5 -99.5 113.2 2.6 -26.1 26.5 9 47 A Y - 0 0 65 -2,-0.7 2,-0.8 1,-0.1 -7,-0.0 -0.350 22.8-168.9 -67.2 120.4 2.7 -26.9 30.2 10 48 A S + 0 0 57 -2,-0.2 2,-0.3 141,-0.0 -1,-0.1 -0.913 42.8 126.5-100.8 100.2 6.0 -27.7 31.9 11 49 A G - 0 0 33 -2,-0.8 2,-0.4 2,-0.0 7,-0.0 -0.992 40.9-156.4-155.6 153.9 4.7 -28.9 35.2 12 50 A R + 0 0 221 -2,-0.3 2,-0.3 138,-0.0 3,-0.1 -0.999 12.3 170.2-139.2 136.6 5.1 -31.9 37.6 13 51 A S > - 0 0 38 -2,-0.4 3,-0.5 1,-0.1 5,-0.1 -0.971 28.1-150.8-146.3 129.4 2.9 -33.3 40.3 14 52 A Q T 3 S+ 0 0 206 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.816 107.9 43.9 -63.8 -31.0 3.2 -36.6 42.1 15 53 A D T 3 S- 0 0 121 -3,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.473 116.2-116.3 -94.5 -5.4 -0.6 -36.6 42.6 16 54 A G X + 0 0 17 -3,-0.5 3,-0.5 1,-0.1 4,-0.4 0.791 65.7 144.2 76.7 30.3 -1.2 -35.5 39.0 17 55 A S T 3> + 0 0 48 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.526 67.7 67.8 -75.2 -6.2 -2.8 -32.1 39.8 18 56 A H H 3> S+ 0 0 39 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.833 90.0 60.7 -77.6 -35.8 -1.0 -30.9 36.7 19 57 A L H <> S+ 0 0 27 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.691 103.6 52.8 -64.1 -20.4 -3.3 -33.0 34.5 20 58 A L H > S+ 0 0 46 -4,-0.4 4,-3.8 2,-0.2 5,-0.3 0.963 111.7 41.4 -77.2 -59.4 -6.2 -31.0 35.9 21 59 A K H X S+ 0 0 129 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.890 116.5 52.5 -52.0 -44.1 -4.8 -27.6 35.1 22 60 A S H X S+ 0 0 5 -4,-3.1 4,-2.7 2,-0.2 3,-0.2 0.971 115.8 37.9 -55.8 -59.2 -3.7 -29.0 31.7 23 61 A G H X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 5,-0.2 0.871 112.4 57.5 -61.5 -42.7 -7.1 -30.4 30.8 24 62 A R H X S+ 0 0 99 -4,-3.8 4,-0.8 2,-0.2 -1,-0.2 0.883 112.2 43.6 -52.8 -39.5 -8.9 -27.5 32.3 25 63 A Y H >X S+ 0 0 30 -4,-1.9 4,-3.0 -5,-0.3 3,-0.7 0.940 111.3 52.4 -72.3 -50.8 -6.9 -25.3 29.9 26 64 A L H 3X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.912 107.9 51.9 -48.8 -48.8 -7.4 -27.6 26.9 27 65 A Q H 3< S+ 0 0 33 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.761 113.5 44.8 -68.2 -23.5 -11.2 -27.6 27.4 28 66 A Q H X S+ 0 0 26 -4,-3.0 4,-2.2 1,-0.2 3,-0.6 0.951 106.3 62.3 -75.5 -54.2 -8.8 -23.4 24.5 30 68 A L H 3X S+ 0 0 8 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.842 103.3 49.0 -43.2 -50.2 -9.8 -26.2 22.1 31 69 A P H 3> S+ 0 0 19 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.907 111.7 50.2 -64.4 -37.8 -13.4 -25.1 21.5 32 70 A V H X S+ 0 0 10 -4,-2.6 4,-1.5 -5,-0.3 3,-0.8 0.933 107.7 54.4 -62.1 -44.3 -12.0 -25.0 16.5 35 73 A A H >X S+ 0 0 32 -4,-2.5 4,-2.1 1,-0.3 3,-0.6 0.931 103.0 55.5 -59.5 -45.2 -14.6 -22.2 16.3 36 74 A H H 3X S+ 0 0 102 -4,-2.2 4,-1.3 1,-0.2 -1,-0.3 0.810 106.3 53.1 -51.8 -31.7 -12.1 -20.0 14.5 37 75 A R H < S+ 0 0 4 -4,-1.4 3,-0.7 1,-0.2 -1,-0.2 0.873 112.0 51.5 -70.1 -35.5 -14.9 -22.6 6.4 42 80 A R H 3< S+ 0 0 155 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.775 104.4 56.9 -70.7 -28.8 -17.9 -20.2 6.4 43 81 A S T 3< S+ 0 0 83 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.588 82.9 113.2 -80.7 -11.5 -15.8 -17.5 4.8 44 82 A L S < S- 0 0 12 -3,-0.7 2,-0.1 -4,-0.4 -3,-0.0 -0.334 86.2 -89.8 -59.1 141.8 -14.9 -19.7 1.8 45 83 A P >> - 0 0 45 0, 0.0 4,-2.4 0, 0.0 3,-1.0 -0.354 39.4-121.0 -45.1 120.8 -16.4 -18.7 -1.5 46 84 A F H 3> S+ 0 0 169 1,-0.2 4,-0.8 2,-0.2 5,-0.1 0.793 109.3 58.7 -29.4 -52.8 -19.7 -20.4 -1.8 47 85 A I H 34 S+ 0 0 80 1,-0.2 4,-0.3 2,-0.2 3,-0.3 0.901 116.5 32.5 -57.8 -45.7 -18.7 -22.3 -5.0 48 86 A I H X4 S+ 0 0 3 -3,-1.0 3,-2.4 1,-0.2 6,-0.2 0.950 112.7 58.8 -70.8 -58.7 -15.8 -24.0 -3.3 49 87 A G H 3< S+ 0 0 15 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.549 102.9 59.8 -51.0 -7.9 -17.3 -24.3 0.2 50 88 A C T 3< S+ 0 0 58 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.638 73.1 112.1 -96.1 -25.0 -20.1 -26.3 -1.4 51 89 A N S <> S- 0 0 20 -3,-2.4 4,-3.0 -4,-0.3 3,-0.4 -0.354 77.1-123.1 -53.8 127.0 -17.8 -29.1 -2.8 52 90 A P H > S+ 0 0 89 0, 0.0 4,-2.8 0, 0.0 -1,-0.1 0.805 106.9 48.8 -51.2 -44.3 -18.7 -32.2 -0.9 53 91 A T H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.931 115.0 44.6 -63.0 -46.5 -15.3 -33.0 0.5 54 92 A I H > S+ 0 0 0 -3,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.930 114.3 51.7 -58.9 -42.6 -14.8 -29.5 1.7 55 93 A L H X S+ 0 0 69 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.870 108.2 51.6 -63.4 -36.1 -18.3 -29.7 3.0 56 94 A H H X S+ 0 0 91 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.952 110.5 46.1 -65.1 -50.5 -17.4 -32.9 4.8 57 95 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.888 110.5 55.9 -57.7 -39.7 -14.3 -31.4 6.5 58 96 A H H X S+ 0 0 28 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.943 109.0 46.5 -54.3 -49.3 -16.6 -28.5 7.4 59 97 A E H X S+ 0 0 90 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.936 105.6 59.2 -61.4 -48.5 -19.0 -30.9 9.0 60 98 A L H X S+ 0 0 20 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.851 106.7 48.2 -45.3 -44.9 -16.2 -32.7 10.9 61 99 A Y H X S+ 0 0 4 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.895 110.1 50.1 -66.3 -41.7 -15.2 -29.5 12.6 62 100 A I H X S+ 0 0 62 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.923 113.1 48.8 -61.3 -44.1 -18.8 -28.7 13.6 63 101 A R H X S+ 0 0 136 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.937 111.2 48.7 -58.0 -48.3 -19.0 -32.2 15.0 64 102 A A H X S+ 0 0 1 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.923 111.5 49.7 -61.4 -43.5 -15.7 -31.8 16.9 65 103 A F H X S+ 0 0 71 -4,-2.8 4,-2.0 2,-0.2 5,-0.3 0.888 110.4 50.4 -64.1 -43.1 -16.9 -28.4 18.3 66 104 A Q H X S+ 0 0 103 -4,-2.6 4,-3.2 -5,-0.2 3,-0.5 0.993 111.0 48.5 -51.5 -64.1 -20.2 -30.0 19.4 67 105 A K H X S+ 0 0 59 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.803 112.8 48.6 -46.7 -39.5 -18.4 -32.9 21.1 68 106 A L H < S+ 0 0 3 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.863 115.5 41.8 -74.1 -40.7 -15.9 -30.5 23.0 69 107 A T H < S+ 0 0 78 -4,-2.0 -2,-0.2 -3,-0.5 -1,-0.2 0.892 111.6 55.6 -70.2 -46.8 -18.6 -28.1 24.2 70 108 A D H < S+ 0 0 119 -4,-3.2 -2,-0.2 -5,-0.3 -1,-0.2 0.873 86.0 96.9 -54.8 -40.2 -20.9 -30.9 25.2 71 109 A F S < S- 0 0 40 -4,-1.5 3,-0.1 -5,-0.3 12,-0.0 -0.330 83.8-119.0 -57.4 130.6 -18.2 -32.4 27.3 72 110 A P - 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.415 35.7 -80.7 -77.7 147.1 -18.8 -31.3 30.9 73 111 A P - 0 0 89 0, 0.0 2,-0.6 0, 0.0 -49,-0.1 0.008 48.3-115.0 -43.0 146.3 -16.4 -29.2 32.9 74 112 A I + 0 0 2 1,-0.2 3,-0.1 -3,-0.1 -50,-0.0 -0.814 47.8 154.1 -95.4 117.6 -13.6 -31.2 34.5 75 113 A K + 0 0 149 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.483 64.1 24.1-116.4 -11.1 -13.6 -31.2 38.3 76 114 A D S > S- 0 0 76 1,-0.1 4,-1.6 -56,-0.1 3,-0.3 -0.887 85.1 -92.0-148.3 178.0 -11.8 -34.5 39.0 77 115 A Q H > S+ 0 0 160 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.888 117.9 54.4 -61.6 -42.8 -9.4 -37.1 37.7 78 116 A A H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.813 106.3 53.0 -67.6 -29.8 -12.0 -39.3 36.1 79 117 A D H >> S+ 0 0 49 -3,-0.3 4,-2.8 2,-0.2 3,-0.9 1.000 110.2 46.1 -61.0 -69.0 -13.4 -36.4 34.1 80 118 A E H 3X S+ 0 0 8 -4,-1.6 4,-2.2 1,-0.3 -2,-0.2 0.847 110.5 56.9 -36.5 -49.3 -9.9 -35.6 32.7 81 119 A A H 3X S+ 0 0 48 -4,-2.7 4,-1.0 1,-0.2 -1,-0.3 0.913 110.3 40.4 -55.3 -48.3 -9.5 -39.3 32.0 82 120 A Q H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 3,-0.5 0.910 99.4 56.3 -55.7 -43.6 -11.7 -36.3 28.3 84 122 A C H 3X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.857 102.0 56.7 -57.2 -36.9 -8.5 -37.9 27.1 85 123 A Q H 3X S+ 0 0 106 -4,-1.0 4,-1.9 2,-0.2 -1,-0.3 0.837 106.5 49.0 -65.3 -35.0 -10.6 -40.5 25.4 86 124 A L H < S+ 0 0 94 -4,-2.0 3,-0.9 1,-0.2 4,-0.3 0.881 112.0 50.8 -67.6 -38.7 -8.1 -40.2 14.9 93 131 A D H 3< S+ 0 0 53 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.825 115.8 41.0 -71.6 -29.4 -11.1 -38.8 13.1 94 132 A H T >< S+ 0 0 13 -4,-2.3 3,-1.3 -5,-0.2 4,-0.3 0.323 85.4 101.5 -99.0 10.6 -9.3 -35.7 11.8 95 133 A K T < S+ 0 0 120 -3,-0.9 3,-0.3 1,-0.3 -1,-0.2 0.839 84.5 43.7 -69.8 -32.6 -6.1 -37.6 10.9 96 134 A D T >> S+ 0 0 70 -4,-0.3 4,-2.0 -3,-0.3 3,-1.1 0.327 83.7 108.3 -90.0 5.6 -6.9 -37.7 7.1 97 135 A V H <> S+ 0 0 0 -3,-1.3 4,-2.9 1,-0.3 5,-0.2 0.886 71.2 54.8 -55.5 -49.9 -8.1 -34.1 7.0 98 136 A V H 3> S+ 0 0 22 -4,-0.3 4,-1.7 -3,-0.3 -1,-0.3 0.790 110.5 49.9 -56.2 -27.5 -5.2 -32.5 5.1 99 137 A T H <> S+ 0 0 80 -3,-1.1 4,-1.9 2,-0.2 5,-0.2 0.963 108.9 49.5 -75.7 -53.5 -5.8 -35.1 2.4 100 138 A L H X S+ 0 0 32 -4,-2.0 4,-3.4 1,-0.2 5,-0.2 0.886 110.4 52.4 -47.2 -46.9 -9.5 -34.4 2.1 101 139 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.965 106.1 53.3 -56.1 -54.4 -8.7 -30.7 1.9 102 140 A A H X S+ 0 0 6 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.839 116.5 38.0 -50.4 -43.8 -6.3 -31.3 -1.0 103 141 A E H X S+ 0 0 84 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.881 110.6 58.9 -77.5 -43.3 -8.8 -33.3 -3.0 104 142 A G H < S+ 0 0 0 -4,-3.4 4,-0.4 -5,-0.2 -2,-0.2 0.926 115.3 38.6 -45.6 -45.5 -11.7 -31.1 -2.0 105 143 A L H < S+ 0 0 19 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.800 110.2 58.2 -83.0 -29.1 -9.7 -28.3 -3.6 106 144 A R H >< S+ 0 0 136 -4,-1.7 3,-1.4 -5,-0.3 4,-0.2 0.932 106.6 49.2 -62.2 -46.2 -8.4 -30.3 -6.5 107 145 A E T 3< S+ 0 0 93 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.777 113.3 52.3 -56.4 -25.1 -11.9 -31.0 -7.7 108 146 A S T 3 S+ 0 0 3 -4,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 0.157 71.8 110.3-107.9 17.1 -12.5 -27.3 -7.2 109 147 A R S X S+ 0 0 165 -3,-1.4 3,-1.7 1,-0.2 -1,-0.2 0.888 73.4 57.0 -57.4 -48.9 -9.6 -25.8 -9.3 110 148 A K T 3 S+ 0 0 126 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.895 103.9 51.3 -53.7 -47.5 -11.8 -24.3 -12.1 111 149 A H T 3 S+ 0 0 90 -3,-0.1 2,-0.7 -64,-0.1 -1,-0.3 0.420 83.6 114.7 -77.3 3.5 -13.9 -22.2 -9.9 112 150 A I < + 0 0 41 -3,-1.7 3,-0.1 -4,-0.2 -3,-0.0 -0.672 26.8 154.1 -81.0 112.5 -10.8 -20.7 -8.3 113 151 A E + 0 0 160 -2,-0.7 2,-0.7 1,-0.3 -1,-0.2 0.824 66.6 43.1-102.1 -53.6 -10.7 -17.0 -9.1 114 152 A D > - 0 0 87 1,-0.2 4,-0.8 2,-0.1 -1,-0.3 -0.872 62.3-179.2 -99.9 110.9 -8.6 -15.5 -6.2 115 153 A E H >> S+ 0 0 105 -2,-0.7 4,-2.4 1,-0.2 3,-1.3 0.964 79.4 57.6 -73.2 -54.6 -5.6 -17.7 -5.4 116 154 A K H 3> S+ 0 0 162 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.830 102.3 61.0 -43.0 -35.6 -4.2 -15.7 -2.6 117 155 A L H 3> S+ 0 0 66 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.860 110.8 35.7 -66.4 -39.4 -7.6 -16.2 -0.9 118 156 A V H < S+ 0 0 1 -4,-1.9 3,-1.1 1,-0.2 4,-0.4 0.975 112.6 45.4 -56.1 -60.4 -1.7 -33.4 27.1 140 178 A L H >X S+ 0 0 23 -4,-2.2 3,-1.5 1,-0.3 4,-0.5 0.866 109.3 59.3 -50.1 -37.8 -2.1 -37.1 26.3 141 179 A A H >< S+ 0 0 8 -4,-2.9 3,-1.3 1,-0.3 10,-0.3 0.840 88.7 71.8 -61.8 -35.5 1.7 -37.2 26.5 142 180 A L T << S+ 0 0 25 -4,-1.6 -1,-0.3 -3,-1.1 -2,-0.2 0.659 93.8 56.9 -54.2 -18.1 1.7 -35.9 30.1 143 181 A H T <4 S+ 0 0 76 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.770 88.9 90.6 -84.3 -30.1 0.3 -39.4 31.1 144 182 A E S << S- 0 0 104 -3,-1.3 7,-0.2 -4,-0.5 5,-0.0 -0.293 70.1-144.9 -64.7 151.8 3.2 -41.3 29.6 145 183 A D + 0 0 160 2,-0.0 -1,-0.1 -2,-0.0 -3,-0.1 0.146 44.7 150.4-105.3 19.3 6.2 -42.0 31.9 146 184 A K > - 0 0 118 -5,-0.2 3,-0.8 1,-0.1 2,-0.2 -0.244 45.2-122.5 -60.6 136.7 8.7 -41.6 29.1 147 185 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.573 92.9 23.3 -83.9 140.2 12.2 -40.4 30.2 148 186 A D T 3 S+ 0 0 90 -2,-0.2 7,-2.7 1,-0.1 8,-0.6 0.571 105.3 103.9 79.5 10.3 13.7 -37.2 28.6 149 187 A F E < -B 154 0B 75 -3,-0.8 2,-0.8 5,-0.2 5,-0.2 -0.960 46.8-175.8-133.7 117.3 10.1 -36.1 27.7 150 188 A V E > S-B 153 0B 33 3,-2.3 3,-1.4 -2,-0.4 2,-0.5 -0.870 82.6 -50.9 -99.2 93.6 8.0 -33.5 29.4 151 189 A G T 3 S- 0 0 7 -2,-0.8 -13,-0.1 -10,-0.3 -5,-0.1 -0.670 121.1 -23.1 76.7-123.7 4.8 -34.1 27.3 152 190 A I T 3 S+ 0 0 15 -2,-0.5 2,-0.6 -18,-0.1 47,-0.3 0.347 117.7 106.4 -98.8 0.9 5.8 -34.1 23.6 153 191 A I E < -B 150 0B 12 -3,-1.4 -3,-2.3 44,-0.2 2,-0.3 -0.748 63.6-145.8 -86.2 118.4 8.8 -32.0 24.5 154 192 A C E -BC 149 196B 7 42,-2.9 42,-2.3 -2,-0.6 3,-0.3 -0.651 4.6-161.4 -74.9 136.7 12.2 -33.7 24.4 155 193 A T E S+ 0 0 58 -7,-2.7 -1,-0.1 -2,-0.3 -6,-0.1 0.746 91.4 26.5 -85.7 -28.0 14.6 -32.4 27.1 156 194 A R E S+ 0 0 145 -8,-0.6 2,-0.4 38,-0.1 -1,-0.2 -0.464 83.0 171.5-134.4 59.6 17.7 -33.8 25.2 157 195 A L E - C 0 194B 0 37,-1.3 37,-1.4 -3,-0.3 3,-0.1 -0.579 21.5-150.9 -81.0 129.1 16.7 -34.0 21.5 158 196 A S > - 0 0 6 -2,-0.4 4,-2.2 35,-0.2 5,-0.2 -0.866 4.4-159.3 -98.2 113.5 19.4 -34.8 18.9 159 197 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.871 95.2 53.9 -54.5 -37.7 18.7 -33.3 15.5 160 198 A K H > S+ 0 0 66 32,-0.4 4,-2.5 30,-0.3 5,-0.2 0.966 106.6 47.8 -61.7 -54.7 21.0 -35.9 14.0 161 199 A K H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 115.0 46.6 -57.1 -43.3 19.3 -38.9 15.5 162 200 A I H X S+ 0 0 5 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.840 110.5 51.1 -70.9 -35.2 15.8 -37.6 14.4 163 201 A I H X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.902 107.8 55.2 -63.2 -40.4 17.0 -36.8 10.8 164 202 A E H X S+ 0 0 73 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.926 103.6 54.3 -61.0 -45.3 18.4 -40.3 10.6 165 203 A K H X S+ 0 0 106 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.961 111.9 43.6 -49.1 -55.5 15.0 -41.8 11.5 166 204 A W H X S+ 0 0 42 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.796 109.8 57.9 -68.1 -25.1 13.4 -39.9 8.6 167 205 A V H X S+ 0 0 9 -4,-2.2 4,-4.3 2,-0.2 5,-0.2 0.956 106.5 46.5 -64.1 -51.2 16.3 -40.7 6.3 168 206 A D H X S+ 0 0 83 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.903 114.0 50.3 -59.5 -41.7 15.8 -44.5 6.8 169 207 A F H X S+ 0 0 66 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.889 115.6 41.5 -59.4 -45.5 12.1 -44.0 6.2 170 208 A A H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.877 110.4 56.2 -75.0 -40.5 12.8 -42.0 3.1 171 209 A R H X S+ 0 0 44 -4,-4.3 4,-3.8 2,-0.2 5,-0.2 0.952 109.8 48.6 -53.3 -48.0 15.5 -44.3 1.8 172 210 A R H X S+ 0 0 156 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.972 109.6 47.7 -58.8 -61.7 13.0 -47.1 2.0 173 211 A L H X S+ 0 0 89 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.858 119.5 45.6 -42.2 -37.6 10.1 -45.4 0.2 174 212 A C H >X>S+ 0 0 11 -4,-2.0 4,-2.4 2,-0.2 3,-1.5 0.963 106.5 52.2 -78.0 -56.7 12.8 -44.5 -2.4 175 213 A E H 3X5S+ 0 0 74 -4,-3.8 4,-2.8 1,-0.3 -2,-0.2 0.893 105.0 61.5 -46.2 -43.2 14.7 -47.8 -2.9 176 214 A H H 3<5S+ 0 0 175 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.809 113.5 32.3 -55.1 -36.0 11.2 -49.4 -3.5 177 215 A K H <<5S+ 0 0 154 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.820 133.9 25.0 -92.5 -35.4 10.5 -47.2 -6.6 178 216 A Y H <5S- 0 0 50 -4,-2.4 -3,-0.2 2,-0.4 -2,-0.2 0.536 97.0-122.5-110.4 -8.3 14.0 -46.6 -8.1 179 217 A G S < S+ 0 0 99 45,-2.5 3,-0.8 -2,-0.2 -29,-0.2 -0.453 73.2 155.8 -76.7 79.7 26.7 -29.7 14.7 190 228 A V T 3 S+ 0 0 55 -2,-2.0 -30,-0.3 1,-0.2 -1,-0.2 0.660 70.4 53.1 -83.6 -17.3 26.0 -33.4 14.7 191 229 A A T 3 S+ 0 0 88 -3,-0.2 -1,-0.2 -31,-0.1 -2,-0.1 0.333 80.1 132.0 -95.3 4.7 26.5 -33.8 18.5 192 230 A A < + 0 0 13 -3,-0.8 -32,-0.4 42,-0.1 2,-0.3 -0.316 29.7 176.6 -61.0 135.4 24.0 -31.0 19.3 193 231 A R + 0 0 125 -35,-0.2 -35,-0.2 -34,-0.1 -37,-0.1 -0.990 12.8 137.7-140.8 137.5 21.4 -31.9 21.9 194 232 A F E -C 157 0B 18 -37,-1.4 -37,-1.3 -2,-0.3 -38,-0.1 -0.974 55.4 -68.1-173.4 154.7 18.7 -29.5 23.3 195 233 A P E + 0 0 64 0, 0.0 106,-0.5 0, 0.0 2,-0.3 -0.314 67.5 137.7 -55.1 132.5 15.1 -29.1 24.4 196 234 A F E -C 154 0B 9 -42,-2.3 -42,-2.9 104,-0.1 -40,-0.1 -0.985 54.2-107.7-169.5 165.3 12.7 -29.3 21.5 197 235 A I > - 0 0 16 -2,-0.3 4,-0.6 -44,-0.2 -44,-0.2 -0.901 18.7-161.4-112.2 105.0 9.4 -30.7 20.1 198 236 A P H > S+ 0 0 16 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.788 74.0 85.4 -47.3 -33.8 9.9 -33.5 17.6 199 237 A M H > S+ 0 0 48 -47,-0.3 4,-0.9 1,-0.2 3,-0.2 0.850 89.2 42.6 -48.6 -59.2 6.4 -33.0 16.2 200 238 A P H >> S+ 0 0 10 0, 0.0 3,-2.0 0, 0.0 4,-1.8 0.951 115.8 50.1 -50.0 -56.7 6.9 -30.3 13.6 201 239 A L H 3X S+ 0 0 0 -4,-0.6 4,-1.7 1,-0.3 -2,-0.2 0.857 102.0 65.5 -44.8 -40.7 10.2 -32.0 12.4 202 240 A D H 3< S+ 0 0 48 -4,-2.4 -1,-0.3 -3,-0.2 -3,-0.1 0.711 111.0 33.3 -63.7 -23.0 8.1 -35.2 12.2 203 241 A Y H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 3,-1.6 0.887 104.9 57.2 -47.6 -60.6 8.5 -31.4 7.5 205 243 A L H 3X S+ 0 0 1 -4,-1.7 4,-3.0 1,-0.3 5,-0.3 0.858 103.3 51.0 -49.6 -53.1 11.7 -33.6 7.3 206 244 A P H 3> S+ 0 0 7 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.785 110.1 55.5 -58.6 -23.5 10.2 -36.6 5.4 207 245 A E H X S+ 0 0 0 -4,-1.6 3,-0.8 -5,-0.4 4,-0.8 0.964 116.3 39.7 -57.7 -52.1 18.3 -37.0 -7.2 217 255 A M H >< S+ 0 0 3 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.953 110.7 57.2 -63.0 -50.3 16.9 -40.2 -8.6 218 256 A E H 3< S+ 0 0 91 -4,-3.6 3,-0.3 1,-0.3 -1,-0.2 0.651 109.5 47.3 -55.1 -17.5 14.8 -38.7 -11.4 219 257 A S H << S+ 0 0 60 -4,-1.0 -1,-0.3 -3,-0.8 2,-0.2 0.573 110.5 51.6-104.8 -13.0 17.9 -37.0 -12.8 220 258 A H << + 0 0 46 -3,-1.6 -1,-0.2 -4,-0.8 6,-0.1 -0.590 58.8 137.9-120.8 67.3 20.1 -40.1 -12.7 221 259 A L S S+ 0 0 116 -3,-0.3 -1,-0.1 -2,-0.2 -3,-0.1 0.811 73.8 57.3 -76.3 -31.2 18.0 -42.8 -14.5 222 260 A D S S+ 0 0 148 1,-0.2 -1,-0.2 -3,-0.2 3,-0.1 0.791 120.6 24.7 -68.8 -30.4 21.1 -44.0 -16.3 223 261 A T > + 0 0 45 -6,-0.1 3,-2.5 1,-0.1 -1,-0.2 -0.346 63.2 152.7-136.1 58.4 23.0 -44.7 -13.1 224 262 A P T 3 S+ 0 0 36 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.738 77.6 62.4 -60.7 -20.9 20.6 -45.3 -10.2 225 263 A Y T 3 S+ 0 0 172 1,-0.3 2,-0.3 -3,-0.1 -44,-0.1 0.581 110.8 39.1 -80.4 -14.0 23.4 -47.5 -8.7 226 264 A N S < S+ 0 0 120 -3,-2.5 -1,-0.3 -6,-0.1 -3,-0.1 -0.750 75.9 155.1-140.3 93.3 25.6 -44.4 -8.4 227 265 A V - 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