==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-NOV-07 2ZDX . COMPND 2 MOLECULE: PYRUVATE DEHYDROGENASE KINASE ISOZYME 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.KAWAMOTO,I.SHIROMIZU,M.KUKIMOTO-NIINO,A.TOKMAKOV,T.TERADA, . 681 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 517 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 10.3 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 0.1 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 . 42 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 300 44.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 3 2 2 2 1 0 1 2 0 0 0 0 2 2 2 0 0 0 2 2 0 0 0 0 1 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 5 0 2 0 0 2 2 1 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 . 2 0 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 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 20 A V 0 0 116 0, 0.0 5,-0.1 0, 0.0 50,-0.0 0.000 360.0 360.0 360.0 108.7 -9.9 -25.9 26.5 2 21 A P >> - 0 0 42 0, 0.0 4,-1.7 0, 0.0 3,-1.4 -0.307 360.0-120.9 -62.5 137.6 -8.0 -25.5 29.9 3 22 A R H 3> S+ 0 0 206 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.751 110.0 56.6 -52.0 -30.8 -9.5 -27.4 32.8 4 23 A E H 3> S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.859 106.0 48.6 -71.1 -34.6 -10.0 -24.2 34.8 5 24 A V H <> S+ 0 0 5 -3,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.859 111.2 49.0 -77.9 -33.8 -12.1 -22.5 32.1 6 25 A E H X S+ 0 0 70 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.909 116.2 46.7 -66.6 -38.6 -14.4 -25.5 31.6 7 26 A H H >< S+ 0 0 73 -4,-1.7 3,-0.9 -5,-0.3 -2,-0.2 0.974 113.0 43.3 -64.6 -57.3 -14.8 -25.6 35.4 8 27 A F H >< S+ 0 0 14 -4,-2.7 3,-0.8 1,-0.3 40,-0.2 0.681 105.9 63.0 -74.3 -17.2 -15.4 -22.0 36.3 9 28 A S H 3< S+ 0 0 11 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.872 85.1 77.2 -66.9 -37.6 -17.8 -21.6 33.3 10 29 A R T << S+ 0 0 184 -4,-0.9 2,-0.3 -3,-0.9 -1,-0.2 0.296 89.5 73.8 -60.2 13.5 -20.0 -24.2 35.1 11 30 A Y S < S- 0 0 106 -3,-0.8 37,-0.0 33,-0.1 36,-0.0 -0.925 83.1-123.7-120.9 158.5 -21.0 -21.3 37.4 12 31 A S - 0 0 68 -2,-0.3 33,-0.1 319,-0.1 319,-0.1 -0.836 32.7-106.2 -99.1 134.9 -23.3 -18.4 36.7 13 32 A P - 0 0 6 0, 0.0 316,-0.1 0, 0.0 -1,-0.1 -0.186 29.9-131.7 -51.6 145.8 -22.0 -14.8 37.1 14 33 A S - 0 0 55 675,-0.0 2,-0.1 27,-0.0 313,-0.1 -0.896 18.4-141.4-108.0 109.3 -23.4 -13.0 40.2 15 34 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 313,-0.0 -0.391 15.5-158.5 -69.8 145.5 -24.8 -9.6 39.4 16 35 A L - 0 0 11 -2,-0.1 311,-2.4 4,-0.0 2,-0.2 -0.876 8.8-132.8-120.9 152.7 -24.2 -6.8 42.0 17 36 A S B > -A 326 0A 11 -2,-0.3 4,-2.9 309,-0.2 309,-0.2 -0.661 26.3-113.9-100.4 163.9 -26.0 -3.5 42.5 18 37 A M H > S+ 0 0 0 307,-1.7 4,-1.9 304,-0.8 305,-0.2 0.688 118.7 60.8 -71.1 -16.9 -24.4 -0.1 43.0 19 38 A K H > S+ 0 0 115 303,-0.9 4,-1.3 306,-0.3 -1,-0.2 0.962 109.5 40.4 -68.3 -52.4 -25.8 -0.2 46.5 20 39 A Q H >> S+ 0 0 86 2,-0.2 4,-1.1 1,-0.2 3,-0.5 0.926 115.3 50.1 -59.7 -49.3 -23.7 -3.3 47.2 21 40 A L H >< S+ 0 0 2 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.931 107.9 55.8 -54.3 -47.3 -20.7 -2.0 45.3 22 41 A L H >< S+ 0 0 21 -4,-1.9 3,-1.1 1,-0.2 -1,-0.3 0.837 104.0 55.7 -47.4 -39.3 -21.0 1.2 47.3 23 42 A D H X< S+ 0 0 91 -4,-1.3 3,-1.0 -3,-0.5 5,-0.4 0.748 89.0 71.0 -75.3 -26.3 -20.8 -0.9 50.5 24 43 A F T << S+ 0 0 38 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.522 109.9 38.2 -65.8 -0.7 -17.5 -2.6 49.6 25 44 A G T < S+ 0 0 22 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.402 101.6 71.7-132.6 0.5 -16.1 0.9 50.3 26 45 A S S < S- 0 0 48 -3,-1.0 -3,-0.1 -4,-0.2 -2,-0.0 0.549 118.0 -18.0 -93.2-122.0 -17.9 2.4 53.2 27 46 A E S S+ 0 0 184 1,-0.1 2,-1.4 2,-0.1 -3,-0.1 0.649 113.3 110.1 -55.4 -9.7 -17.6 1.4 56.9 28 47 A N + 0 0 46 -5,-0.4 -1,-0.1 1,-0.2 5,-0.0 -0.547 36.4 166.2 -79.3 90.6 -16.2 -1.6 55.2 29 48 A A + 0 0 94 -2,-1.4 2,-1.4 1,-0.1 3,-0.2 0.481 50.8 111.8 -75.6 -2.2 -12.4 -1.8 55.8 30 49 A C > + 0 0 50 1,-0.2 4,-0.7 2,-0.1 3,-0.4 -0.612 20.9 149.7 -83.0 87.9 -12.9 -5.3 54.5 31 50 A E H > S+ 0 0 36 -2,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.461 71.7 84.5 -75.5 -9.0 -11.2 -5.7 51.2 32 51 A R H > S+ 0 0 116 1,-0.2 4,-0.9 -3,-0.2 -1,-0.2 0.881 93.3 40.7 -54.8 -37.1 -11.0 -9.1 52.9 33 52 A T H > S+ 0 0 72 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.870 112.2 52.4 -84.1 -38.4 -14.5 -9.6 51.4 34 53 A S H X S+ 0 0 8 -4,-0.7 4,-2.5 1,-0.2 5,-0.3 0.872 108.1 54.5 -61.8 -36.2 -13.8 -8.0 48.0 35 54 A F H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.849 109.7 44.7 -67.4 -34.2 -10.8 -10.3 47.7 36 55 A A H < S+ 0 0 39 -4,-0.9 4,-0.3 -5,-0.2 -1,-0.2 0.855 116.6 46.7 -81.9 -34.1 -12.8 -13.5 48.2 37 56 A F H >X S+ 0 0 48 -4,-2.1 4,-3.3 2,-0.1 3,-1.5 0.990 116.1 41.7 -63.4 -60.7 -15.6 -12.3 46.0 38 57 A L H 3X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.3 -2,-0.2 0.786 105.7 60.4 -67.1 -33.7 -13.5 -11.2 43.0 39 58 A R H 3< S+ 0 0 39 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.1 0.665 119.1 34.5 -69.0 -12.4 -11.0 -14.1 43.1 40 59 A Q H <> S+ 0 0 61 -3,-1.5 4,-1.5 -4,-0.3 -2,-0.3 0.804 120.2 45.4 -99.8 -51.4 -14.1 -16.1 42.4 41 60 A E H X S+ 0 0 7 -4,-3.3 4,-2.5 1,-0.2 5,-0.3 0.896 107.4 55.7 -64.3 -43.9 -16.3 -13.8 40.3 42 61 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.926 108.6 47.2 -60.1 -48.1 -13.6 -12.7 37.8 43 62 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.898 112.1 52.1 -57.3 -40.0 -12.6 -16.2 36.7 44 63 A V H X S+ 0 0 3 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.914 112.0 43.7 -63.8 -46.2 -16.3 -17.1 36.3 45 64 A R H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.944 116.7 46.7 -66.3 -45.3 -17.1 -14.2 34.1 46 65 A L H X S+ 0 0 4 -4,-2.5 4,-1.6 -5,-0.3 -2,-0.2 0.862 114.4 48.7 -62.5 -34.3 -14.0 -14.6 32.0 47 66 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -38,-0.2 0.902 108.2 53.5 -76.2 -40.2 -14.6 -18.3 31.8 48 67 A N H X S+ 0 0 4 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.913 113.5 42.3 -57.1 -44.1 -18.2 -17.9 30.7 49 68 A I H X S+ 0 0 2 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.776 109.0 57.5 -80.8 -23.8 -17.2 -15.6 27.9 50 69 A L H X S+ 0 0 4 -4,-1.6 4,-0.8 -5,-0.2 3,-0.2 0.879 107.1 51.1 -66.3 -37.0 -14.2 -17.7 26.8 51 70 A K H < S+ 0 0 35 -4,-1.9 3,-0.4 1,-0.2 4,-0.3 0.837 106.9 52.0 -69.1 -35.7 -16.7 -20.6 26.4 52 71 A E H X S+ 0 0 15 -4,-1.2 4,-0.5 1,-0.2 3,-0.4 0.672 102.0 62.3 -78.2 -16.8 -19.0 -18.4 24.2 53 72 A I H >< S+ 0 0 2 -4,-0.8 3,-0.5 -3,-0.2 -1,-0.2 0.797 92.2 64.8 -73.5 -27.8 -16.0 -17.6 22.1 54 73 A D T 3< S+ 0 0 65 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.692 99.1 53.6 -69.7 -17.6 -15.6 -21.3 21.2 55 74 A I T 34 S+ 0 0 82 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 0.696 81.6 109.2 -90.6 -21.8 -19.0 -21.2 19.4 56 75 A L S << S- 0 0 19 -4,-0.5 5,-0.1 -3,-0.5 -3,-0.0 -0.140 90.6 -73.6 -45.1 152.5 -18.0 -18.2 17.2 57 76 A P >> - 0 0 46 0, 0.0 4,-1.9 0, 0.0 3,-1.5 -0.135 43.6-110.4 -59.8 151.7 -17.6 -19.4 13.6 58 77 A T H 3> S+ 0 0 112 1,-0.3 4,-1.3 2,-0.2 -2,-0.1 0.899 117.3 49.6 -46.9 -54.6 -14.5 -21.4 12.7 59 78 A Q H 34 S+ 0 0 139 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.727 112.2 51.7 -61.8 -21.6 -12.9 -18.7 10.6 60 79 A L H X4 S+ 0 0 0 -3,-1.5 3,-1.8 2,-0.2 6,-0.4 0.923 104.7 48.5 -86.2 -50.3 -13.4 -16.1 13.4 61 80 A V H 3< S+ 0 0 13 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.795 109.3 58.4 -60.6 -26.4 -11.9 -17.8 16.5 62 81 A N T 3< S+ 0 0 115 -4,-1.3 -1,-0.3 -5,-0.3 2,-0.2 0.234 78.4 117.0 -94.3 15.4 -8.9 -18.6 14.4 63 82 A T S <> S- 0 0 9 -3,-1.8 4,-2.5 1,-0.1 5,-0.3 -0.592 76.8-120.7 -74.0 144.4 -8.2 -15.0 13.6 64 83 A S H > S+ 0 0 82 -2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.864 113.3 51.0 -44.9 -41.0 -4.9 -13.7 14.9 65 84 A S H > S+ 0 0 13 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.911 109.5 44.4 -77.5 -44.4 -6.9 -11.1 16.9 66 85 A V H > S+ 0 0 1 -6,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.880 111.7 55.3 -65.0 -38.6 -9.4 -13.4 18.6 67 86 A Q H X S+ 0 0 78 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.838 106.8 50.8 -65.6 -32.1 -6.6 -15.9 19.5 68 87 A L H X S+ 0 0 85 -4,-1.4 4,-1.9 -5,-0.3 -1,-0.2 0.919 111.0 48.2 -69.4 -42.6 -4.8 -13.1 21.2 69 88 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.3 0.944 109.6 53.4 -59.1 -47.6 -7.9 -12.2 23.1 70 89 A K H X S+ 0 0 32 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.916 109.4 48.5 -53.3 -45.6 -8.4 -15.8 24.1 71 90 A S H X S+ 0 0 55 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.841 109.8 49.9 -73.5 -32.1 -4.9 -16.0 25.4 72 91 A W H X S+ 0 0 52 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.951 113.8 44.8 -67.3 -49.3 -5.0 -12.8 27.6 73 92 A Y H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.3 5,-0.2 0.950 113.4 50.5 -60.2 -49.3 -8.3 -13.8 29.2 74 93 A I H X S+ 0 0 34 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.3 0.829 111.8 50.2 -54.8 -32.7 -7.0 -17.3 29.7 75 94 A Q H X S+ 0 0 87 -4,-1.3 4,-2.6 -5,-0.2 -2,-0.2 0.951 112.4 43.8 -74.3 -47.1 -3.9 -15.7 31.3 76 95 A S H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.909 111.8 54.2 -64.7 -42.4 -5.7 -13.4 33.7 77 96 A L H X S+ 0 0 0 -4,-3.3 4,-2.3 -5,-0.2 -1,-0.2 0.971 110.9 47.0 -53.1 -52.2 -8.1 -16.3 34.6 78 97 A M H X S+ 0 0 43 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.924 111.5 50.9 -52.7 -47.9 -5.0 -18.4 35.5 79 98 A D H < S+ 0 0 11 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.870 112.4 46.0 -63.4 -37.6 -3.5 -15.5 37.4 80 99 A L H >< S+ 0 0 1 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.856 104.4 60.6 -75.0 -32.3 -6.6 -15.0 39.5 81 100 A V H >< S+ 0 0 31 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.816 93.2 68.0 -65.3 -26.2 -7.1 -18.7 40.2 82 101 A E G >< S+ 0 0 127 -4,-1.2 3,-0.6 1,-0.3 4,-0.3 0.658 89.3 62.9 -67.4 -17.6 -3.7 -18.7 42.0 83 102 A F G < S+ 0 0 19 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.404 79.7 89.7 -85.9 3.2 -5.1 -16.5 44.8 84 103 A H G < S+ 0 0 58 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.759 83.3 51.4 -71.6 -24.0 -7.5 -19.3 45.6 85 104 A E S < S+ 0 0 174 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.1 0.785 94.4 82.7 -85.0 -29.4 -5.2 -21.0 48.1 86 105 A K S S- 0 0 66 -4,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.222 82.1-113.2 -73.9 163.2 -4.3 -17.9 50.2 87 106 A S > - 0 0 54 1,-0.1 3,-1.9 0, 0.0 6,-0.2 -0.760 15.3-126.1 -97.0 148.9 -6.5 -16.6 53.0 88 107 A P T 3 S+ 0 0 33 0, 0.0 -53,-0.1 0, 0.0 -1,-0.1 0.588 111.7 64.1 -66.0 -9.6 -8.2 -13.3 52.8 89 108 A D T 3 S+ 0 0 84 1,-0.1 2,-1.3 -57,-0.0 -57,-0.0 0.617 75.5 103.9 -85.8 -15.4 -6.5 -12.5 56.1 90 109 A D X> - 0 0 36 -3,-1.9 4,-2.2 1,-0.2 3,-1.9 -0.553 57.3-162.3 -76.4 94.8 -3.1 -12.7 54.5 91 110 A Q H 3> S+ 0 0 146 -2,-1.3 4,-1.1 1,-0.3 -1,-0.2 0.728 92.5 55.6 -43.6 -29.2 -2.0 -9.1 54.1 92 111 A K H 3> S+ 0 0 123 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.823 107.7 48.3 -78.9 -31.9 0.6 -10.2 51.6 93 112 A A H <> S+ 0 0 0 -3,-1.9 4,-2.5 -6,-0.2 -2,-0.2 0.938 107.1 55.5 -70.7 -47.7 -2.2 -11.8 49.5 94 113 A L H X S+ 0 0 21 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.852 112.9 42.8 -51.9 -36.9 -4.4 -8.7 49.7 95 114 A S H X S+ 0 0 55 -4,-1.1 4,-1.8 -5,-0.3 -1,-0.2 0.876 110.6 51.3 -86.2 -38.6 -1.6 -6.6 48.2 96 115 A D H X S+ 0 0 56 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.914 106.4 58.7 -61.8 -39.2 -0.4 -9.0 45.5 97 116 A F H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.927 102.5 52.0 -56.0 -48.1 -4.0 -9.2 44.4 98 117 A V H X S+ 0 0 11 -4,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.919 112.7 46.1 -52.7 -46.1 -4.1 -5.4 43.8 99 118 A D H X S+ 0 0 89 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.888 112.3 49.2 -65.4 -40.1 -1.0 -5.7 41.7 100 119 A T H X S+ 0 0 17 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.916 110.8 50.8 -69.9 -39.2 -2.2 -8.6 39.7 101 120 A L H X S+ 0 0 0 -4,-3.2 4,-3.1 2,-0.2 5,-0.3 0.938 110.4 48.8 -59.9 -48.4 -5.5 -6.8 39.1 102 121 A I H X S+ 0 0 41 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.890 110.8 53.2 -54.3 -38.6 -3.6 -3.8 37.9 103 122 A K H X S+ 0 0 89 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.885 111.5 43.9 -64.8 -38.1 -1.6 -6.3 35.8 104 123 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.900 108.4 55.9 -78.2 -39.8 -4.9 -7.7 34.3 105 124 A R H < S+ 0 0 60 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.907 113.6 45.4 -53.3 -41.7 -6.4 -4.3 33.7 106 125 A N H >< S+ 0 0 102 -4,-1.8 3,-2.8 -5,-0.3 4,-0.3 0.986 109.7 50.7 -65.6 -59.7 -3.3 -3.6 31.7 107 126 A R H >< S+ 0 0 49 -4,-2.6 3,-0.6 1,-0.3 -2,-0.2 0.847 113.1 48.2 -46.3 -40.2 -3.1 -6.8 29.8 108 127 A H G >< S+ 0 0 4 -4,-2.5 3,-2.0 1,-0.2 4,-0.4 0.459 82.2 99.3 -83.9 0.6 -6.7 -6.3 28.7 109 128 A H G < S+ 0 0 108 -3,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.782 85.5 44.2 -63.6 -28.6 -6.2 -2.7 27.6 110 129 A N G <> S+ 0 0 88 -3,-0.6 4,-1.7 -4,-0.3 -1,-0.3 0.303 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111.6 51.1 -73.7 -47.6 -22.0 -11.8 20.6 131 159 A L H X S+ 0 0 0 -4,-3.7 4,-2.3 1,-0.2 5,-0.2 0.894 109.4 52.2 -57.6 -38.8 -20.3 -8.5 20.4 132 160 A D H X S+ 0 0 27 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.898 115.9 40.5 -62.5 -38.0 -22.9 -7.0 22.7 133 161 A R H X S+ 0 0 0 -4,-1.3 4,-2.3 -5,-0.2 -2,-0.2 0.921 113.4 52.2 -76.4 -46.7 -22.3 -9.8 25.3 134 162 A F H X S+ 0 0 0 -4,-3.7 4,-1.7 1,-0.2 -2,-0.2 0.924 114.8 43.6 -55.2 -45.4 -18.5 -9.8 24.9 135 163 A Y H X S+ 0 0 5 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.852 111.2 51.7 -72.7 -35.1 -18.4 -6.1 25.5 136 164 A M H X S+ 0 0 2 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.865 108.0 55.7 -64.6 -33.2 -20.8 -6.1 28.4 137 165 A N H X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.920 109.8 43.8 -66.6 -43.8 -18.6 -8.8 29.9 138 166 A R H X S+ 0 0 33 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.844 110.6 55.0 -69.4 -38.2 -15.6 -6.5 29.6 139 167 A I H X S+ 0 0 5 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.934 110.7 46.8 -57.6 -45.4 -17.5 -3.5 31.0 140 168 A S H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.854 115.5 43.0 -70.9 -34.4 -18.5 -5.5 34.0 141 169 A T H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.884 111.6 53.8 -79.8 -35.8 -15.0 -6.9 34.8 142 170 A R H X S+ 0 0 52 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.887 111.1 49.5 -60.6 -36.4 -13.3 -3.6 34.1 143 171 A M H X S+ 0 0 2 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.829 110.2 47.1 -73.2 -34.7 -15.7 -2.1 36.6 144 172 A L H X S+ 0 0 5 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.910 116.3 44.4 -75.9 -39.2 -15.1 -4.7 39.4 145 173 A M H X S+ 0 0 5 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.939 114.7 48.0 -70.5 -46.6 -11.4 -4.6 39.1 146 174 A N H X S+ 0 0 27 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.924 110.4 53.8 -55.3 -44.4 -11.3 -0.8 38.9 147 175 A Q H X S+ 0 0 7 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.960 113.6 41.0 -58.5 -54.8 -13.6 -0.6 41.9 148 176 A H H >X S+ 0 0 3 -4,-2.4 4,-1.2 1,-0.2 3,-0.6 0.882 116.0 51.5 -57.1 -41.6 -11.3 -2.9 44.0 149 177 A I H 3X S+ 0 0 5 -4,-3.0 4,-1.2 1,-0.2 7,-0.3 0.875 110.5 46.6 -67.3 -36.2 -8.2 -1.1 42.6 150 178 A L H 3< S+ 0 0 36 -4,-2.8 14,-0.4 -5,-0.2 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