==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JUN-05 2BU6 . COMPND 2 MOLECULE: PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.R.KNOECHEL,A.D.TUCKER,C.M.ROBINSON,C.PHILLIPS,W.TAYLOR, . 353 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 9.9 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 20 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 45.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 0 1 1 0 0 1 0 1 0 0 1 0 1 0 1 0 1 1 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 2 0 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 6 A G 0 0 135 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 38.6 62.0 41.3 101.1 2 7 A S >> + 0 0 37 2,-0.1 4,-2.0 1,-0.1 3,-1.7 0.319 360.0 114.4-121.4 5.2 60.3 44.6 100.6 3 8 A A H 3> S+ 0 0 19 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.865 79.2 53.1 -43.5 -48.4 58.2 43.9 97.4 4 9 A P H 3> S+ 0 0 98 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.807 109.6 51.4 -59.5 -29.1 54.9 44.3 99.4 5 10 A K H <> S+ 0 0 149 -3,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.929 108.8 47.2 -73.6 -50.2 56.2 47.7 100.6 6 11 A Y H X S+ 0 0 70 -4,-2.0 4,-2.3 2,-0.2 5,-0.4 0.931 111.7 51.6 -56.3 -50.2 57.1 49.1 97.1 7 12 A I H X S+ 0 0 12 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.915 109.9 49.1 -55.2 -45.4 53.8 48.0 95.7 8 13 A E H < S+ 0 0 89 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.852 113.7 49.2 -64.0 -33.9 52.0 49.8 98.6 9 14 A H H >< S+ 0 0 85 -4,-2.0 3,-2.0 1,-0.2 4,-0.3 0.999 117.8 33.9 -67.1 -71.3 54.1 52.9 97.9 10 15 A F H >< S+ 0 0 5 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.699 105.8 73.3 -59.0 -21.3 53.7 53.3 94.2 11 16 A S T 3< S+ 0 0 13 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.2 0.474 87.2 66.0 -72.8 -0.6 50.1 51.9 94.4 12 17 A K T < S+ 0 0 146 -3,-2.0 -1,-0.3 -5,-0.1 2,-0.2 0.676 91.8 73.4 -91.8 -21.4 49.3 55.3 95.9 13 18 A F S < S- 0 0 83 -3,-1.3 34,-0.0 -4,-0.3 3,-0.0 -0.537 80.1-129.6 -89.3 157.6 50.0 57.1 92.7 14 19 A S - 0 0 71 -2,-0.2 30,-0.1 323,-0.1 29,-0.1 -0.854 30.7-103.5-106.7 142.9 47.8 57.0 89.6 15 20 A P - 0 0 12 0, 0.0 320,-0.1 0, 0.0 25,-0.1 -0.350 35.0-121.9 -63.2 148.9 49.3 56.2 86.2 16 21 A S - 0 0 58 24,-0.0 2,-0.1 -3,-0.0 317,-0.1 -0.820 20.8-137.5 -99.0 107.5 49.7 59.3 84.0 17 22 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 317,-0.1 -0.389 19.0-158.2 -64.7 130.0 47.8 59.0 80.7 18 23 A L - 0 0 31 -2,-0.1 315,-3.0 3,-0.0 2,-0.3 -0.816 9.1-130.7-108.9 151.6 49.8 60.2 77.7 19 24 A S B > -A 332 0A 12 -2,-0.3 4,-2.1 313,-0.3 313,-0.3 -0.663 24.5-112.7-100.0 156.8 48.4 61.4 74.4 20 25 A M H > S+ 0 0 0 311,-3.0 4,-1.1 308,-0.5 309,-0.2 0.766 118.1 53.7 -58.6 -24.3 49.5 60.3 71.0 21 26 A K H > S+ 0 0 96 307,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.923 103.7 51.1 -79.1 -43.7 50.8 63.8 70.5 22 27 A Q H 4 S+ 0 0 95 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.900 110.4 52.8 -58.0 -36.6 52.9 64.0 73.6 23 28 A F H < S+ 0 0 16 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.868 109.2 50.4 -63.4 -36.2 54.4 60.7 72.4 24 29 A L H < S+ 0 0 29 -4,-1.1 2,-2.2 -5,-0.2 -2,-0.2 0.845 93.7 72.4 -71.9 -36.3 55.1 62.3 69.0 25 30 A D < 0 0 112 -4,-2.2 -1,-0.2 -5,-0.0 -4,-0.0 -0.554 360.0 360.0 -82.3 75.2 56.8 65.4 70.4 26 31 A F 0 0 95 -2,-2.2 3,-0.1 -3,-0.0 -3,-0.0 -0.935 360.0 360.0-167.8 360.0 59.9 63.4 71.3 27 ! 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 28 36 A A 0 0 89 0, 0.0 4,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 40.1 64.9 64.7 73.0 29 37 A C > - 0 0 61 1,-0.1 4,-1.0 3,-0.1 3,-0.1 0.910 360.0-152.6 64.3 106.4 67.0 63.6 76.0 30 38 A E H > S+ 0 0 51 1,-0.2 4,-4.0 2,-0.2 5,-0.1 0.594 98.1 71.7 -78.7 -9.6 66.5 60.0 77.2 31 39 A K H > S+ 0 0 85 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.955 96.8 48.7 -65.4 -48.1 67.5 61.5 80.5 32 40 A T H > S+ 0 0 76 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.874 116.1 43.4 -57.2 -40.4 64.1 63.2 80.5 33 41 A S H X S+ 0 0 15 -4,-1.0 4,-3.8 2,-0.2 5,-0.3 0.933 110.7 54.7 -71.0 -47.8 62.6 59.8 79.6 34 42 A F H X S+ 0 0 0 -4,-4.0 4,-2.0 1,-0.2 -2,-0.2 0.924 109.8 45.8 -50.8 -54.2 64.7 57.9 82.2 35 43 A T H X S+ 0 0 66 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.841 117.0 46.8 -61.5 -33.5 63.6 60.0 85.1 36 44 A F H >X S+ 0 0 80 -4,-1.1 4,-2.5 -5,-0.3 3,-1.3 0.963 112.6 46.0 -73.1 -52.9 60.0 59.8 83.9 37 45 A L H 3X S+ 0 0 5 -4,-3.8 4,-1.7 1,-0.3 -2,-0.2 0.783 100.7 69.8 -61.3 -27.5 59.9 56.0 83.3 38 46 A R H 3< S+ 0 0 43 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.826 114.5 26.5 -58.2 -34.9 61.6 55.4 86.7 39 47 A Q H S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.906 111.6 50.5 -61.5 -40.2 56.8 51.4 88.9 43 51 A V H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.916 114.4 43.8 -62.6 -43.7 53.4 53.1 89.4 44 52 A R H X S+ 0 0 5 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.910 114.3 48.3 -69.9 -42.8 51.8 51.1 86.5 45 53 A L H X S+ 0 0 6 -4,-3.1 4,-2.7 -5,-0.2 5,-0.2 0.946 113.2 50.2 -60.3 -45.8 53.3 47.8 87.6 46 54 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 -5,-0.3 -2,-0.2 0.891 107.9 51.1 -60.4 -45.3 52.2 48.5 91.2 47 55 A N H X S+ 0 0 9 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.928 114.5 42.6 -62.8 -45.0 48.6 49.3 90.2 48 56 A I H X S+ 0 0 7 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.906 117.8 47.3 -68.3 -37.1 48.1 46.2 88.2 49 57 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.878 108.6 55.0 -68.5 -37.9 49.9 44.1 90.9 50 58 A K H < S+ 0 0 41 -4,-3.2 4,-0.3 1,-0.2 -1,-0.2 0.816 109.1 47.8 -65.6 -31.3 47.9 45.7 93.6 51 59 A E H >< S+ 0 0 7 -4,-1.4 3,-0.7 -5,-0.2 -1,-0.2 0.851 109.2 53.0 -78.3 -35.7 44.7 44.7 91.9 52 60 A I H >< S+ 0 0 1 -4,-1.7 3,-1.8 1,-0.2 -2,-0.2 0.974 101.8 58.3 -62.2 -54.3 45.9 41.1 91.3 53 61 A N T 3< S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.666 102.2 60.2 -50.3 -17.2 46.7 40.6 95.0 54 62 A L T < S+ 0 0 74 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.018 84.0 93.4-105.7 29.2 43.0 41.5 95.7 55 63 A L S < S- 0 0 16 -3,-1.8 5,-0.2 1,-0.2 -3,-0.0 -0.792 93.4 -58.6-113.6 160.2 41.3 38.7 93.8 56 64 A P >> - 0 0 60 0, 0.0 4,-2.2 0, 0.0 3,-1.1 0.043 41.2-130.6 -36.7 137.3 40.2 35.3 95.2 57 65 A D H 3> S+ 0 0 110 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.710 108.5 70.4 -65.6 -17.7 43.1 33.2 96.7 58 66 A R H 34 S+ 0 0 105 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.889 107.6 33.9 -64.3 -39.7 41.6 30.5 94.6 59 67 A V H X4 S+ 0 0 34 -3,-1.1 3,-0.7 2,-0.1 6,-0.3 0.819 116.3 56.7 -84.3 -33.8 42.9 32.4 91.5 60 68 A L H 3< S+ 0 0 35 -4,-2.2 6,-0.3 1,-0.2 -2,-0.2 0.894 102.1 55.9 -63.7 -41.8 46.0 33.7 93.3 61 69 A S T 3< S+ 0 0 63 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.1 0.574 80.8 107.6 -70.1 -13.0 47.2 30.2 94.3 62 70 A T S <> S- 0 0 28 -3,-0.7 4,-2.3 -4,-0.2 5,-0.3 -0.461 78.5-123.7 -70.2 138.0 47.3 28.9 90.7 63 71 A P H > S+ 0 0 92 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.831 108.8 57.1 -47.6 -38.3 50.8 28.4 89.2 64 72 A S H > S+ 0 0 2 2,-0.2 4,-2.3 3,-0.2 5,-0.3 0.992 109.7 38.6 -58.3 -69.4 49.8 30.7 86.3 65 73 A V H > S+ 0 0 7 -6,-0.3 4,-3.3 1,-0.2 5,-0.2 0.921 120.4 46.7 -49.7 -52.4 48.8 33.8 88.2 66 74 A Q H X S+ 0 0 116 -4,-2.3 4,-1.9 -6,-0.3 -1,-0.2 0.885 108.6 57.2 -59.9 -38.9 51.6 33.4 90.8 67 75 A L H X S+ 0 0 68 -4,-2.5 4,-0.7 -5,-0.3 -1,-0.2 0.938 116.0 33.7 -58.2 -49.7 54.1 32.8 87.9 68 76 A V H >X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 3,-0.7 0.884 113.1 61.3 -74.0 -37.0 53.3 36.1 86.2 69 77 A Q H 3X S+ 0 0 21 -4,-3.3 4,-1.6 -5,-0.3 -1,-0.2 0.834 106.3 48.4 -55.5 -32.1 52.7 37.8 89.6 70 78 A S H 3X S+ 0 0 58 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.3 0.721 105.6 57.4 -81.7 -23.0 56.3 36.9 90.2 71 79 A W H X S+ 0 0 0 -4,-3.3 4,-1.4 1,-0.2 3,-0.8 0.949 114.5 42.6 -60.7 -48.3 59.3 46.2 89.7 77 85 A L H 3X S+ 0 0 46 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.849 106.1 64.5 -66.4 -35.1 62.5 45.4 91.6 78 86 A D H 3< S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.767 109.9 37.9 -58.6 -28.8 64.5 45.4 88.3 79 87 A I H X< S+ 0 0 3 -4,-1.0 3,-1.2 -3,-0.8 4,-0.2 0.703 98.0 76.7 -97.7 -23.3 63.7 49.1 87.9 80 88 A M H >< S+ 0 0 11 -4,-1.4 3,-4.1 1,-0.2 4,-0.4 0.933 80.2 74.1 -50.0 -50.3 63.9 50.2 91.6 81 89 A E G >< S+ 0 0 117 -4,-1.2 3,-0.7 1,-0.3 4,-0.4 0.768 93.8 52.7 -30.0 -47.6 67.7 50.1 91.3 82 90 A F G < S+ 0 0 16 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.470 80.5 93.4 -76.3 -4.6 67.7 53.3 89.3 83 91 A L G < S+ 0 0 63 -3,-4.1 -1,-0.2 -4,-0.2 -2,-0.1 0.858 99.4 29.2 -58.7 -37.5 65.6 55.3 91.8 84 92 A D S < S+ 0 0 117 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.550 100.7 109.9 -98.4 -10.8 68.7 56.7 93.5 85 93 A K - 0 0 80 -4,-0.4 -3,-0.0 1,-0.1 7,-0.0 -0.171 62.9-133.5 -62.1 158.4 70.9 56.6 90.3 86 94 A D > - 0 0 122 1,-0.2 3,-0.6 3,-0.0 6,-0.1 -0.950 6.4-143.1-119.2 134.6 71.9 59.8 88.6 87 95 A P T 3 S+ 0 0 22 0, 0.0 2,-4.5 0, 0.0 -1,-0.2 0.457 78.9 80.3 -65.5-137.2 71.7 60.4 84.8 88 96 A E T 3 S+ 0 0 146 1,-0.1 2,-1.0 2,-0.1 -57,-0.0 -0.082 74.3 100.1 64.8 -46.9 74.5 62.5 83.3 89 97 A D S X> S- 0 0 88 -2,-4.5 3,-2.8 -3,-0.6 4,-1.1 -0.603 73.0-149.0 -73.1 101.5 76.4 59.1 83.5 90 98 A H T 34 S+ 0 0 165 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.430 98.3 47.6 -54.0 2.5 76.1 58.0 79.8 91 99 A R T 3> S+ 0 0 169 2,-0.1 4,-1.0 -4,-0.1 -1,-0.3 0.507 95.5 69.8-118.3 -15.3 76.1 54.4 81.2 92 100 A T T <4 S+ 0 0 21 -3,-2.8 4,-0.2 1,-0.2 -2,-0.2 0.820 106.1 41.7 -71.7 -29.8 73.5 54.9 84.0 93 101 A L T X S+ 0 0 15 -4,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.613 109.5 54.9 -93.7 -14.4 70.8 55.3 81.4 94 102 A S H > S+ 0 0 47 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.698 99.8 62.5 -87.1 -20.9 72.0 52.5 79.1 95 103 A Q H X S+ 0 0 98 -4,-1.0 4,-1.0 1,-0.2 -1,-0.2 0.793 106.6 48.9 -67.2 -27.2 71.8 50.2 82.1 96 104 A F H > S+ 0 0 0 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.936 104.4 53.0 -77.5 -52.9 68.2 51.2 81.9 97 105 A T H X S+ 0 0 18 -4,-1.5 4,-2.4 1,-0.3 -2,-0.2 0.888 114.4 44.9 -52.3 -41.2 67.5 50.5 78.2 98 106 A D H X S+ 0 0 104 -4,-1.8 4,-1.6 1,-0.2 -1,-0.3 0.866 108.9 57.2 -70.0 -36.0 68.9 47.0 78.7 99 107 A A H X S+ 0 0 14 -4,-1.0 4,-1.3 -5,-0.2 -2,-0.2 0.820 111.0 43.7 -63.2 -32.1 66.9 46.7 81.9 100 108 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.927 109.0 53.6 -79.0 -49.4 63.7 47.4 79.9 101 109 A V H X S+ 0 0 43 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.800 113.1 47.5 -55.3 -29.4 64.5 45.1 76.9 102 110 A T H X S+ 0 0 72 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.862 110.7 49.4 -80.3 -38.8 65.0 42.4 79.5 103 111 A I H X S+ 0 0 7 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.917 108.9 54.1 -65.6 -42.3 61.8 43.1 81.4 104 112 A R H >< S+ 0 0 50 -4,-3.1 3,-0.6 1,-0.2 -1,-0.2 0.919 111.1 44.1 -57.6 -47.0 59.8 43.1 78.1 105 113 A N H >< S+ 0 0 84 -4,-1.2 3,-1.2 1,-0.2 4,-0.3 0.827 104.7 62.8 -69.6 -31.4 61.1 39.7 77.2 106 114 A R H 3< S+ 0 0 62 -4,-1.8 3,-0.3 1,-0.3 -1,-0.2 0.814 111.2 40.9 -61.9 -27.1 60.5 38.4 80.7 107 115 A H T X< S+ 0 0 14 -4,-1.2 3,-1.8 -3,-0.6 -1,-0.3 0.310 80.0 110.0-104.1 7.4 56.8 39.1 80.0 108 116 A N T < S+ 0 0 74 -3,-1.2 3,-0.3 1,-0.3 -1,-0.2 0.793 82.8 43.3 -54.7 -31.7 56.5 37.9 76.4 109 117 A D T 3> S+ 0 0 103 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.3 0.121 75.4 115.1-104.8 23.8 54.3 34.9 77.2 110 118 A V H <> S+ 0 0 0 -3,-1.8 4,-2.5 1,-0.2 5,-0.2 0.867 74.4 54.2 -59.5 -38.8 52.0 36.6 79.7 111 119 A V H > S+ 0 0 33 -3,-0.3 4,-2.7 -4,-0.2 5,-0.2 0.980 111.7 40.2 -62.6 -58.6 49.0 36.1 77.5 112 120 A P H > S+ 0 0 78 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.919 116.5 52.9 -56.0 -42.8 49.2 32.3 77.0 113 121 A T H X S+ 0 0 22 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.906 111.9 43.4 -59.6 -45.2 50.2 31.9 80.6 114 122 A M H X S+ 0 0 9 -4,-2.5 4,-1.3 1,-0.2 3,-0.4 0.875 109.5 57.9 -68.3 -37.2 47.2 33.8 81.9 115 123 A A H X S+ 0 0 22 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.860 100.7 58.5 -59.4 -35.4 45.0 31.9 79.4 116 124 A Q H X S+ 0 0 119 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.879 102.8 52.1 -62.0 -38.2 46.2 28.7 81.0 117 125 A G H X S+ 0 0 12 -4,-1.0 4,-2.5 -3,-0.4 -1,-0.2 0.799 105.3 56.2 -68.5 -28.5 44.8 29.9 84.3 118 126 A V H X S+ 0 0 7 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.942 109.2 44.9 -67.9 -46.1 41.5 30.6 82.7 119 127 A L H X S+ 0 0 41 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.883 111.4 54.1 -63.8 -38.3 41.3 27.0 81.5 120 128 A E H X S+ 0 0 56 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.946 109.6 48.2 -59.7 -47.2 42.4 25.8 85.0 121 129 A Y H X>S+ 0 0 26 -4,-2.5 4,-3.4 1,-0.2 5,-1.1 0.938 106.9 55.7 -58.7 -50.6 39.6 27.9 86.4 122 130 A K H X5S+ 0 0 35 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.900 116.7 35.5 -48.5 -49.6 37.0 26.5 84.0 123 131 A D H <5S+ 0 0 127 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.731 121.5 47.7 -80.0 -23.5 37.8 22.8 85.0 124 132 A T H <5S+ 0 0 87 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.840 135.2 4.1 -86.8 -35.1 38.4 23.6 88.7 125 133 A Y H <5S- 0 0 123 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.464 104.0-112.5-129.1 -8.6 35.4 25.8 89.5 126 134 A G << - 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