==== 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 2BU8 . 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, . 359 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17749.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 9.7 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 . 1 0.3 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 . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 44.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 3 0 0 0 2 0 0 1 0 1 0 0 1 0 1 0 1 1 0 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 29.8 63.4 41.9 101.1 2 7 A S > + 0 0 43 2,-0.1 4,-2.0 1,-0.1 3,-0.5 0.219 360.0 108.4-130.9 15.8 61.7 45.3 100.4 3 8 A A H > S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.902 81.4 55.4 -60.5 -41.7 59.6 44.8 97.2 4 9 A P H > S+ 0 0 98 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.828 108.5 50.6 -60.1 -29.2 56.4 45.0 99.2 5 10 A K H > S+ 0 0 157 -3,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.904 110.9 46.2 -73.5 -45.4 57.6 48.3 100.5 6 11 A Y H X S+ 0 0 76 -4,-2.0 4,-2.3 2,-0.2 5,-0.4 0.944 112.3 51.7 -61.3 -50.1 58.4 49.7 97.0 7 12 A I H X S+ 0 0 15 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.927 110.1 47.9 -52.8 -51.7 55.0 48.5 95.7 8 13 A E H < S+ 0 0 83 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.819 114.6 48.6 -62.1 -31.3 53.1 50.1 98.5 9 14 A H H >< S+ 0 0 96 -4,-1.6 3,-2.4 -3,-0.2 4,-0.3 0.993 115.4 37.1 -73.2 -65.1 55.0 53.4 97.9 10 15 A F H >< S+ 0 0 8 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.680 104.2 75.6 -61.6 -15.6 54.8 53.9 94.2 11 16 A S T 3< S+ 0 0 13 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.515 84.2 67.6 -72.0 -5.0 51.3 52.5 94.5 12 17 A K T < S+ 0 0 143 -3,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.774 90.9 72.7 -84.7 -29.3 50.5 55.9 95.9 13 18 A F S < S- 0 0 83 -3,-1.0 37,-0.0 -4,-0.3 0, 0.0 -0.397 77.2-131.2 -83.9 162.1 51.0 57.7 92.6 14 19 A S - 0 0 70 -2,-0.1 33,-0.1 336,-0.1 336,-0.1 -0.860 33.0-100.9-110.3 146.0 48.8 57.6 89.6 15 20 A P - 0 0 14 0, 0.0 333,-0.1 0, 0.0 28,-0.0 -0.345 33.4-126.2 -65.5 152.5 50.2 56.9 86.1 16 21 A S - 0 0 59 27,-0.1 2,-0.1 2,-0.0 330,-0.1 -0.871 18.9-141.0-107.5 107.3 50.7 59.9 83.9 17 22 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 330,-0.0 -0.379 14.2-151.5 -64.9 132.4 49.1 59.7 80.5 18 23 A L - 0 0 12 -2,-0.1 328,-2.1 4,-0.0 2,-0.2 -0.853 8.2-132.6-108.9 145.5 51.0 61.1 77.6 19 24 A S B > -A 345 0A 21 -2,-0.4 4,-2.3 326,-0.2 326,-0.2 -0.494 29.4-107.4 -89.1 163.5 49.5 62.6 74.4 20 25 A M H > S+ 0 0 0 324,-2.6 4,-1.6 321,-0.6 322,-0.1 0.782 121.8 54.8 -61.2 -25.9 50.7 61.7 70.9 21 26 A K H > S+ 0 0 110 320,-0.5 4,-2.7 323,-0.3 5,-0.3 0.940 105.0 49.1 -74.2 -47.7 52.2 65.1 70.8 22 27 A Q H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.927 110.9 52.9 -55.1 -45.2 54.3 64.8 74.0 23 28 A F H X S+ 0 0 7 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.897 110.0 48.6 -56.1 -43.3 55.5 61.5 72.6 24 29 A L H X S+ 0 0 30 -4,-1.6 4,-1.5 1,-0.2 3,-0.3 0.892 114.4 43.4 -67.0 -40.2 56.6 63.2 69.4 25 30 A D H <>S+ 0 0 90 -4,-2.7 6,-1.0 1,-0.2 5,-0.8 0.739 104.7 66.4 -77.7 -20.5 58.4 66.0 71.3 26 31 A F H <5S+ 0 0 41 -4,-2.2 6,-0.3 -5,-0.3 -1,-0.2 0.844 115.5 27.1 -67.4 -34.5 59.9 63.5 73.7 27 32 A G H <5S+ 0 0 16 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.662 123.6 56.5 -99.1 -20.9 62.0 62.0 70.9 28 33 A S T <5S- 0 0 70 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.927 123.8 -18.6 -72.4 -97.2 62.1 65.1 68.7 29 34 A S T 5S+ 0 0 103 1,-0.1 -3,-0.1 -4,-0.1 -4,-0.1 0.960 135.4 46.3 -83.0 -62.3 63.5 68.3 70.4 30 35 A N S > - 0 0 74 -6,-0.3 3,-3.4 131,-0.0 4,-1.1 -0.778 62.4-128.8-160.5 105.4 67.9 63.8 75.5 33 38 A E H 3> S+ 0 0 51 1,-0.3 4,-4.8 -2,-0.3 5,-0.2 0.689 109.1 69.7 -35.0 -23.8 67.8 60.4 77.2 34 39 A K H 3> S+ 0 0 63 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.931 101.0 43.5 -62.1 -45.3 68.4 62.4 80.4 35 40 A T H <> S+ 0 0 48 -3,-3.4 4,-1.0 -5,-0.2 -2,-0.2 0.894 121.2 40.6 -65.4 -42.5 64.9 63.9 80.1 36 41 A S H X S+ 0 0 10 -4,-1.1 4,-3.4 2,-0.2 5,-0.3 0.932 114.1 53.6 -71.0 -47.2 63.5 60.5 79.2 37 42 A F H X S+ 0 0 0 -4,-4.8 4,-1.9 1,-0.3 -2,-0.2 0.913 110.2 46.5 -52.6 -50.1 65.7 58.7 81.8 38 43 A T H < S+ 0 0 75 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.3 0.794 116.1 47.4 -65.6 -29.7 64.5 61.0 84.6 39 44 A F H >X S+ 0 0 48 -4,-1.0 4,-2.7 -3,-0.2 3,-1.2 0.967 113.3 44.3 -75.0 -55.9 60.9 60.5 83.5 40 45 A L H 3X S+ 0 0 4 -4,-3.4 4,-1.9 1,-0.2 -2,-0.2 0.744 100.8 69.4 -61.9 -28.2 60.9 56.7 83.1 41 46 A R H 3< S+ 0 0 44 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.1 0.802 116.6 24.6 -60.1 -33.6 62.8 56.2 86.4 42 47 A Q H <> S+ 0 0 72 -3,-1.2 4,-1.3 -4,-0.5 -2,-0.2 0.797 122.7 53.4 -99.7 -38.9 59.7 57.3 88.3 43 48 A E H X S+ 0 0 10 -4,-2.7 4,-2.3 2,-0.2 3,-0.4 0.945 106.9 49.3 -63.1 -52.3 57.0 56.6 85.7 44 49 A L H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.924 110.9 50.4 -55.3 -47.6 57.8 52.9 85.1 45 50 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.821 110.6 50.9 -62.6 -27.9 57.9 52.1 88.8 46 51 A V H X S+ 0 0 1 -4,-1.3 4,-1.8 -3,-0.4 -2,-0.2 0.885 113.9 43.2 -74.4 -38.9 54.5 53.8 89.2 47 52 A R H X S+ 0 0 4 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.889 115.9 47.3 -74.2 -39.5 52.9 51.8 86.4 48 53 A L H X S+ 0 0 6 -4,-3.1 4,-2.4 -5,-0.2 5,-0.2 0.934 113.2 49.0 -64.9 -47.4 54.5 48.5 87.5 49 54 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.884 108.4 53.9 -60.7 -42.1 53.5 49.1 91.1 50 55 A N H X S+ 0 0 7 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.904 112.6 41.4 -63.0 -42.5 49.9 49.9 90.1 51 56 A I H X S+ 0 0 4 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.882 116.1 50.7 -73.9 -33.4 49.3 46.7 88.1 52 57 A M H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.835 106.0 55.5 -69.3 -33.4 51.1 44.7 90.8 53 58 A K H < S+ 0 0 38 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.880 109.0 48.9 -65.6 -37.2 49.0 46.2 93.5 54 59 A E H >< S+ 0 0 9 -4,-1.3 3,-1.1 -5,-0.2 -2,-0.2 0.898 108.1 52.4 -69.2 -43.5 45.9 45.0 91.6 55 60 A I H >< S+ 0 0 1 -4,-2.0 3,-2.5 1,-0.2 -2,-0.2 0.957 103.0 58.6 -56.9 -52.8 47.2 41.5 91.1 56 61 A N T 3< S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.595 99.7 58.3 -54.6 -15.8 47.9 41.1 94.8 57 62 A L T < S+ 0 0 81 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.243 81.6 115.6-101.1 13.7 44.3 41.7 95.7 58 63 A L S < S- 0 0 18 -3,-2.5 5,-0.1 1,-0.1 -3,-0.0 -0.490 84.9 -82.1 -78.3 149.5 43.1 38.8 93.5 59 64 A P >> - 0 0 59 0, 0.0 4,-3.1 0, 0.0 3,-1.6 -0.182 40.4-121.3 -49.2 144.7 41.4 35.9 95.2 60 65 A D H 3> S+ 0 0 113 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.798 111.5 66.6 -63.1 -25.3 44.0 33.6 96.6 61 66 A R H 34 S+ 0 0 113 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.752 113.7 30.9 -66.6 -21.6 42.7 30.7 94.5 62 67 A V H X4 S+ 0 0 32 -3,-1.6 3,-1.3 2,-0.1 6,-0.3 0.801 117.9 57.8 -97.3 -44.2 43.8 32.7 91.5 63 68 A L H 3< S+ 0 0 27 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.913 103.7 51.9 -49.1 -55.0 46.8 34.3 93.3 64 69 A S T 3< S+ 0 0 67 -4,-3.1 -1,-0.3 -5,-0.1 -3,-0.1 0.553 81.3 115.4 -64.6 -13.4 48.3 30.9 94.2 65 70 A T S <> S- 0 0 21 -3,-1.3 4,-2.6 -5,-0.2 5,-0.3 -0.263 75.8-122.5 -60.6 145.5 48.3 29.4 90.7 66 71 A P H > S+ 0 0 95 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.870 110.4 56.3 -54.8 -37.4 51.8 28.8 89.2 67 72 A S H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.986 112.3 36.1 -56.2 -69.6 50.8 31.0 86.3 68 73 A V H > S+ 0 0 7 -6,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.875 118.1 53.1 -55.0 -41.7 50.0 34.2 88.2 69 74 A Q H X S+ 0 0 87 -4,-2.6 4,-1.0 -7,-0.2 -1,-0.2 0.908 110.4 46.7 -63.4 -42.9 52.7 33.5 90.7 70 75 A L H >X S+ 0 0 83 -4,-2.6 4,-1.1 -5,-0.3 3,-0.7 0.941 115.6 44.1 -64.2 -49.8 55.4 33.1 88.0 71 76 A V H >X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.6 0.898 108.9 58.6 -61.7 -41.3 54.3 36.3 86.2 72 77 A Q H 3X S+ 0 0 17 -4,-2.7 4,-1.2 -5,-0.3 -1,-0.2 0.769 102.9 54.7 -59.5 -26.2 54.0 38.1 89.5 73 78 A S H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 3,-0.7 0.987 112.9 42.9 -58.7 -59.7 60.6 46.8 89.5 80 85 A L H 3X S+ 0 0 44 -4,-1.9 4,-1.1 1,-0.3 -1,-0.2 0.823 109.7 62.7 -55.9 -32.1 63.8 46.2 91.5 81 86 A D H 3< S+ 0 0 41 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.910 109.6 35.9 -60.2 -46.3 65.5 46.2 88.1 82 87 A I H X< S+ 0 0 2 -4,-2.0 3,-1.8 -3,-0.7 -2,-0.2 0.778 103.3 74.0 -80.5 -27.0 64.7 49.8 87.4 83 88 A M H >< S+ 0 0 10 -4,-2.2 3,-3.6 1,-0.3 4,-0.3 0.870 76.9 78.7 -51.2 -43.0 65.0 51.0 91.0 84 89 A E T 3< S+ 0 0 124 -4,-1.1 3,-0.3 1,-0.3 -1,-0.3 0.673 93.3 51.1 -40.4 -25.7 68.8 50.7 90.7 85 90 A F T < S+ 0 0 18 -3,-1.8 -1,-0.3 1,-0.2 3,-0.2 0.400 78.3 97.0 -98.9 1.0 68.8 54.1 88.9 86 91 A L S < S+ 0 0 58 -3,-3.6 -1,-0.2 1,-0.2 -2,-0.1 0.815 96.5 31.4 -60.2 -32.1 66.7 56.1 91.4 87 92 A D S S+ 0 0 122 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.527 98.3 106.2-104.2 -7.9 69.8 57.6 93.0 88 93 A K - 0 0 97 -3,-0.2 -3,-0.1 -4,-0.2 -4,-0.0 -0.087 69.0-117.8 -67.9 171.0 72.1 57.7 90.0 89 94 A D > - 0 0 94 1,-0.1 3,-1.1 3,-0.0 6,-0.2 -0.961 11.3-148.6-115.5 125.0 73.2 60.8 88.1 90 95 A P T 3 S+ 0 0 21 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.426 83.8 82.0 -72.0 -3.1 72.3 61.1 84.4 91 96 A E T 3 S+ 0 0 111 4,-0.1 2,-0.9 2,-0.1 -57,-0.0 0.686 71.9 94.4 -75.7 -13.3 75.2 63.2 83.2 92 97 A D S X> S- 0 0 77 -3,-1.1 3,-2.0 1,-0.2 4,-1.3 -0.688 71.1-152.3 -81.2 105.4 77.1 59.9 83.1 93 98 A H T 34 S+ 0 0 149 -2,-0.9 -1,-0.2 1,-0.3 4,-0.1 0.499 99.2 51.5 -55.9 -1.2 76.8 58.7 79.5 94 99 A R T 3> S+ 0 0 165 2,-0.1 4,-0.6 3,-0.1 -1,-0.3 0.620 96.8 64.0-108.8 -23.6 77.1 55.3 81.0 95 100 A T T <4 S+ 0 0 15 -3,-2.0 4,-0.2 -6,-0.2 -2,-0.2 0.837 111.0 38.7 -69.7 -33.2 74.4 55.6 83.7 96 101 A L T X S+ 0 0 10 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.654 108.0 60.4 -92.5 -17.3 71.8 56.0 81.0 97 102 A S H > S+ 0 0 51 -5,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.626 105.7 51.3 -82.2 -13.1 73.2 53.4 78.5 98 103 A Q H X S+ 0 0 82 -4,-0.6 4,-1.1 2,-0.2 -1,-0.2 0.627 105.2 55.7 -92.1 -19.8 72.7 50.9 81.3 99 104 A F H > S+ 0 0 0 -4,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.896 107.0 49.9 -75.7 -42.8 69.1 52.1 81.7 100 105 A T H X S+ 0 0 18 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.919 113.0 45.2 -60.5 -45.4 68.6 51.3 78.0 101 106 A D H X S+ 0 0 108 -4,-1.1 4,-1.3 1,-0.2 -1,-0.2 0.808 110.7 55.9 -68.2 -29.3 70.1 47.8 78.4 102 107 A A H X S+ 0 0 15 -4,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.824 107.6 48.5 -71.3 -32.8 68.0 47.5 81.6 103 108 A L H >X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 3,-0.5 0.951 108.1 51.8 -72.8 -49.3 64.8 48.2 79.6 104 109 A V H 3X S+ 0 0 43 -4,-2.1 4,-1.6 1,-0.3 -1,-0.2 0.835 110.6 50.9 -55.8 -34.1 65.6 45.7 76.8 105 110 A T H 3X S+ 0 0 77 -4,-1.3 4,-0.9 2,-0.2 -1,-0.3 0.821 110.6 47.6 -74.4 -31.2 66.1 43.1 79.4 106 111 A I H < S+ 0 0 55 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.922 110.6 43.3 -62.6 -47.6 60.9 43.8 77.9 108 113 A N H >< S+ 0 0 87 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.743 104.2 66.3 -72.1 -23.1 62.0 40.3 76.8 109 114 A R H 3< S+ 0 0 63 -4,-0.9 3,-0.3 1,-0.2 -1,-0.2 0.780 108.2 39.8 -68.0 -26.3 61.5 39.0 80.4 110 115 A H T X< S+ 0 0 12 -4,-0.9 3,-1.7 -3,-0.7 -1,-0.2 0.253 81.6 113.4-104.9 9.4 57.7 39.6 79.9 111 116 A N T < S+ 0 0 81 -3,-1.0 3,-0.2 1,-0.3 -1,-0.2 0.701 79.3 43.3 -57.3 -22.8 57.6 38.4 76.3 112 117 A D T 3> S+ 0 0 104 -3,-0.3 4,-1.9 -4,-0.2 -1,-0.3 0.058 75.4 116.5-113.4 27.1 55.4 35.3 77.1 113 118 A V H <> S+ 0 0 0 -3,-1.7 4,-3.1 2,-0.2 5,-0.3 0.885 71.8 54.1 -60.3 -45.8 52.9 36.8 79.5 114 119 A V H > S+ 0 0 27 -4,-0.2 4,-2.8 2,-0.2 5,-0.2 0.968 111.8 42.7 -56.7 -57.0 49.8 36.3 77.4 115 120 A P H > S+ 0 0 79 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.914 116.9 50.0 -54.8 -44.8 50.3 32.5 76.9 116 121 A T H X S+ 0 0 29 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.895 112.8 44.0 -61.3 -46.1 51.3 32.2 80.5 117 122 A M H >X S+ 0 0 9 -4,-3.1 4,-1.5 1,-0.2 3,-0.5 0.870 108.5 59.7 -67.4 -36.5 48.3 34.0 81.8 118 123 A A H 3X S+ 0 0 15 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.859 99.2 57.8 -58.4 -37.2 46.1 32.1 79.4 119 124 A Q H 3X S+ 0 0 105 -4,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.846 103.6 52.5 -62.8 -35.1 47.3 28.9 81.1 120 125 A G H S+ 0 0 26 -4,-2.2 4,-3.2 1,-0.2 5,-1.2 0.894 106.2 56.9 -55.3 -43.8 40.4 28.1 86.5 125 130 A K H X5S+ 0 0 49 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.887 117.4 32.7 -55.4 -43.8 38.0 26.8 84.0 126 131 A D H <5S+ 0 0 134 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.749 121.3 50.4 -86.0 -25.6 38.6 23.2 84.9 127 132 A T H <5S+ 0 0 85 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.833 135.2 1.3 -82.3 -34.7 39.3 23.9 88.6 128 133 A Y H <5S- 0 0 129 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.503 102.8-113.4-131.1 -12.7 36.2 26.0 89.4 129 134 A G << - 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