==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 29-AUG-12 4GTT . COMPND 2 MOLECULE: GERANYLGERANYL TRANSFERASE TYPE-2 SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR Z.GUO,E.A.STIGTER,R.S.BON,H.WALDMANN,W.BLANKENFELDT,R.S.GOOD . 635 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26579.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 21 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 331 52.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.4 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 0 1 0 1 0 2 3 2 1 6 8 0 0 1 0 0 2 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 14 A A > 0 0 123 0, 0.0 4,-1.8 0, 0.0 5,-0.4 0.000 360.0 360.0 360.0 -58.6 -10.1 12.3 48.7 2 15 A E T 4 + 0 0 87 1,-0.2 4,-0.5 3,-0.2 5,-0.1 0.754 360.0 48.7 -68.2 -27.1 -9.2 14.5 51.7 3 16 A A T > S+ 0 0 83 3,-0.1 4,-1.5 2,-0.1 -1,-0.2 0.954 119.9 30.2 -78.2 -54.8 -5.8 12.8 52.3 4 17 A K H > S+ 0 0 78 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.901 121.3 48.9 -76.7 -45.0 -4.2 12.7 48.9 5 18 A R H < S+ 0 0 68 -4,-1.8 4,-0.4 1,-0.2 3,-0.3 0.866 116.4 44.5 -63.5 -37.7 -5.8 15.9 47.4 6 19 A L H >> S+ 0 0 52 -4,-0.5 3,-1.3 -5,-0.4 4,-0.9 0.845 101.3 69.9 -72.6 -35.8 -4.8 17.8 50.5 7 20 A E H >X S+ 0 0 50 -4,-1.5 4,-1.9 1,-0.3 3,-0.5 0.816 93.1 56.9 -51.3 -37.1 -1.3 16.3 50.6 8 21 A R H 3X S+ 0 0 127 -4,-1.0 4,-2.5 -3,-0.3 -1,-0.3 0.705 95.9 60.6 -78.2 -20.8 -0.2 18.2 47.4 9 22 A E H <> S+ 0 0 60 -3,-1.3 4,-1.1 -4,-0.4 -1,-0.3 0.757 109.8 46.5 -70.2 -25.0 -0.9 21.6 48.9 10 23 A Q H S+ 0 0 39 -4,-3.1 5,-2.3 1,-0.2 4,-0.4 0.848 113.5 52.1 -52.1 -38.6 20.9 31.5 47.5 26 39 A R H ><5S+ 0 0 53 -4,-2.0 3,-0.9 -5,-0.2 -1,-0.2 0.897 108.6 47.3 -71.3 -42.8 21.6 32.2 43.8 27 40 A Q H 3<5S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.779 108.9 58.1 -66.7 -26.9 21.1 36.0 44.0 28 41 A A T 3<5S- 0 0 56 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.604 114.3-118.4 -75.4 -12.9 23.4 35.8 47.1 29 42 A G T < 5 + 0 0 54 -3,-0.9 2,-1.5 -4,-0.4 -3,-0.2 0.628 63.7 148.6 81.0 14.9 26.2 34.3 45.0 30 43 A E < + 0 0 75 -5,-2.3 2,-1.6 -6,-0.2 -1,-0.2 -0.598 18.4 174.8 -86.6 81.4 26.2 31.1 47.2 31 44 A L + 0 0 51 -2,-1.5 2,-0.2 -3,-0.1 32,-0.1 -0.568 34.6 127.7 -86.8 74.3 27.1 28.4 44.7 32 45 A D S >> S- 0 0 46 -2,-1.6 3,-1.7 30,-0.1 4,-0.8 -0.687 75.8 -85.9-130.4 178.4 27.3 25.6 47.2 33 46 A E H 3> S+ 0 0 93 1,-0.3 4,-2.1 -2,-0.2 5,-0.1 0.684 114.6 70.3 -59.3 -26.4 26.1 22.0 48.0 34 47 A S H 3> S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.814 95.9 53.6 -63.1 -31.6 22.9 23.3 49.6 35 48 A V H <> S+ 0 0 5 -3,-1.7 4,-3.0 2,-0.2 5,-0.2 0.884 107.1 51.3 -69.0 -38.7 21.7 24.3 46.2 36 49 A L H X S+ 0 0 15 -4,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.882 111.1 49.1 -63.0 -39.8 22.3 20.8 44.9 37 50 A E H X S+ 0 0 112 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.967 114.8 43.0 -61.5 -55.3 20.3 19.5 47.9 38 51 A L H X S+ 0 0 29 -4,-2.6 4,-0.9 1,-0.2 3,-0.5 0.917 114.7 49.0 -59.7 -46.7 17.4 21.8 47.3 39 52 A T H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 3,-0.4 0.852 103.8 60.2 -65.8 -32.1 17.3 21.3 43.5 40 53 A S H X S+ 0 0 33 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.873 103.2 53.5 -61.1 -34.9 17.4 17.5 43.8 41 54 A Q H < S+ 0 0 91 -4,-1.2 4,-0.3 -3,-0.5 -1,-0.2 0.797 117.8 34.6 -68.4 -32.2 14.2 17.8 45.8 42 55 A I H >X S+ 0 0 2 -4,-0.9 4,-2.2 -3,-0.4 3,-0.7 0.880 113.4 54.8 -90.9 -44.6 12.4 19.8 43.0 43 56 A L H 3< S+ 0 0 0 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.1 0.782 96.0 67.7 -66.0 -30.3 14.0 18.2 39.8 44 57 A G T 3< S+ 0 0 25 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.1 0.884 117.9 22.9 -54.0 -44.2 13.0 14.7 40.7 45 58 A A T <4 S+ 0 0 52 -3,-0.7 -2,-0.2 -4,-0.3 -1,-0.2 0.702 135.7 36.7 -93.2 -26.2 9.3 15.5 40.3 46 59 A N >< + 0 0 35 -4,-2.2 3,-1.6 1,-0.1 -1,-0.2 -0.530 60.2 158.1-132.7 63.5 9.7 18.5 38.0 47 60 A P T 3 + 0 0 7 0, 0.0 48,-0.1 0, 0.0 -1,-0.1 0.561 68.6 70.1 -69.4 -8.0 12.6 17.9 35.6 48 61 A D T 3 + 0 0 66 1,-0.1 2,-2.1 47,-0.1 3,-0.2 0.430 65.6 106.7 -89.3 3.1 11.3 20.4 33.0 49 62 A F X> - 0 0 20 -3,-1.6 3,-1.4 1,-0.2 4,-0.9 -0.562 53.3-177.5 -78.2 78.4 12.1 23.3 35.4 50 63 A A H 3> + 0 0 41 -2,-2.1 4,-1.8 1,-0.3 3,-0.3 0.775 69.5 64.4 -50.5 -41.2 15.1 24.3 33.2 51 64 A T H 3> S+ 0 0 7 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.861 99.1 54.8 -60.6 -33.3 16.4 27.1 35.4 52 65 A L H <> S+ 0 0 0 -3,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.881 104.1 53.4 -70.7 -36.2 17.2 24.6 38.2 53 66 A W H X S+ 0 0 2 -4,-0.9 4,-2.2 -3,-0.3 -1,-0.2 0.877 108.4 52.3 -57.9 -37.8 19.3 22.5 35.8 54 67 A N H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.884 107.2 51.3 -64.7 -41.2 21.2 25.7 35.0 55 68 A C H X S+ 0 0 3 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.872 108.3 52.3 -62.4 -40.6 21.8 26.3 38.8 56 69 A R H X S+ 0 0 11 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.950 110.6 47.7 -61.6 -47.0 23.1 22.8 39.1 57 70 A R H X S+ 0 0 9 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.912 111.1 50.8 -59.5 -44.9 25.6 23.4 36.3 58 71 A E H X S+ 0 0 49 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.902 112.0 47.8 -59.7 -43.7 26.6 26.8 37.8 59 72 A V H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.965 113.7 46.4 -60.8 -50.4 27.2 25.1 41.2 60 73 A L H X S+ 0 0 9 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.877 112.1 50.8 -62.9 -40.9 29.3 22.2 39.6 61 74 A Q H < S+ 0 0 84 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.892 114.8 44.0 -59.4 -43.6 31.3 24.7 37.5 62 75 A H H >X S+ 0 0 63 -4,-2.0 3,-2.0 -5,-0.2 4,-0.9 0.977 112.2 50.6 -66.1 -55.6 32.1 26.8 40.5 63 76 A L H 3< S+ 0 0 2 -4,-3.0 3,-0.4 1,-0.3 -2,-0.2 0.797 101.3 62.8 -55.3 -32.9 32.9 23.8 42.9 64 77 A E T 3< S+ 0 0 99 -4,-1.7 3,-0.4 -5,-0.2 -1,-0.3 0.728 100.6 55.2 -67.6 -19.5 35.3 22.3 40.4 65 78 A T T <4 S+ 0 0 97 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.819 115.9 34.8 -78.6 -34.3 37.5 25.4 40.7 66 79 A E S < S+ 0 0 117 -4,-0.9 2,-0.3 -3,-0.4 -1,-0.2 -0.066 108.5 72.7-116.8 32.9 37.8 25.2 44.5 67 80 A K S S- 0 0 57 -3,-0.4 0, 0.0 -4,-0.1 0, 0.0 -0.955 80.9-100.4-140.1 159.6 37.9 21.4 45.0 68 81 A S > - 0 0 43 -2,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.304 37.0-104.1 -74.9 158.2 40.5 18.7 44.4 69 82 A P H > S+ 0 0 119 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.892 124.8 49.9 -41.2 -46.9 40.5 16.3 41.4 70 83 A E H > S+ 0 0 169 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.906 111.9 44.8 -63.5 -46.4 39.2 13.6 43.9 71 84 A E H > S+ 0 0 103 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.851 115.9 48.4 -67.3 -35.0 36.4 15.8 45.4 72 85 A S H X S+ 0 0 19 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.888 109.6 51.7 -71.1 -39.8 35.4 16.9 41.8 73 86 A A H X S+ 0 0 53 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.846 109.4 51.5 -63.8 -33.9 35.4 13.3 40.5 74 87 A A H X S+ 0 0 60 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.876 107.4 51.6 -72.1 -39.7 33.1 12.4 43.5 75 88 A L H X S+ 0 0 34 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.891 108.8 52.1 -60.9 -41.3 30.7 15.2 42.6 76 89 A V H X S+ 0 0 24 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.942 109.5 48.0 -61.4 -49.4 30.5 14.0 39.0 77 90 A K H X S+ 0 0 157 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.881 111.2 50.9 -61.1 -37.3 29.7 10.4 40.1 78 91 A A H X S+ 0 0 64 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.865 109.6 52.2 -65.1 -36.0 27.0 11.7 42.5 79 92 A E H X S+ 0 0 3 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.831 105.1 54.0 -68.8 -35.1 25.6 13.7 39.6 80 93 A L H X S+ 0 0 14 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.868 111.1 46.1 -66.5 -35.4 25.5 10.6 37.3 81 94 A G H X S+ 0 0 39 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.868 111.2 51.3 -75.2 -40.3 23.4 8.8 40.0 82 95 A F H X S+ 0 0 29 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.959 111.1 49.1 -57.4 -51.0 21.1 11.7 40.5 83 96 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.888 110.3 50.0 -58.3 -43.9 20.5 11.9 36.8 84 97 A E H X S+ 0 0 46 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.894 109.9 50.5 -63.0 -41.7 19.8 8.1 36.5 85 98 A S H X S+ 0 0 47 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.896 111.0 49.6 -63.3 -39.5 17.3 8.3 39.3 86 99 A C H >X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.2 3,-0.6 0.943 108.9 51.9 -62.6 -48.4 15.6 11.2 37.6 87 100 A L H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.820 103.7 58.5 -57.6 -36.0 15.5 9.4 34.2 88 101 A R H 3< S+ 0 0 162 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.876 111.7 40.8 -59.6 -38.9 13.8 6.4 36.0 89 102 A V H << S+ 0 0 108 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.909 138.1 10.5 -76.4 -45.6 11.0 8.7 37.1 90 103 A N >< + 0 0 50 -4,-2.7 3,-0.9 -5,-0.1 -1,-0.2 -0.756 61.8 175.7-137.8 93.2 10.7 10.6 33.8 91 104 A P T 3 S+ 0 0 38 0, 0.0 41,-0.1 0, 0.0 40,-0.1 0.410 76.5 61.0 -75.1 5.7 12.7 9.2 30.8 92 105 A K T 3 + 0 0 108 39,-0.1 2,-0.5 38,-0.1 3,-0.1 0.021 68.2 119.8-124.8 24.7 11.3 11.7 28.4 93 106 A S <> - 0 0 1 -3,-0.9 4,-1.4 1,-0.2 3,-0.3 -0.840 50.6-153.2 -96.7 125.4 12.5 15.1 29.8 94 107 A Y H > S+ 0 0 56 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.875 94.0 57.2 -57.2 -42.8 14.7 17.1 27.5 95 108 A G H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.843 104.8 48.8 -62.1 -38.4 16.4 18.8 30.4 96 109 A T H > S+ 0 0 0 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.909 112.9 45.9 -71.3 -45.1 17.6 15.7 32.1 97 110 A W H X S+ 0 0 13 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.860 112.5 50.9 -67.0 -39.5 19.1 14.1 29.1 98 111 A H H X S+ 0 0 23 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.914 106.6 54.0 -65.2 -42.6 20.8 17.4 28.1 99 112 A H H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.914 108.8 50.5 -57.4 -39.5 22.3 17.8 31.6 100 113 A R H X S+ 0 0 1 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.915 112.1 46.0 -63.7 -44.6 23.8 14.3 31.2 101 114 A C H X S+ 0 0 34 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.919 112.9 50.5 -60.7 -47.4 25.3 15.1 27.8 102 115 A W H X S+ 0 0 32 -4,-3.3 4,-0.8 2,-0.2 -2,-0.2 0.954 113.9 46.3 -55.1 -50.0 26.6 18.4 29.3 103 116 A L H >X S+ 0 0 1 -4,-2.9 3,-1.1 -5,-0.2 4,-0.6 0.941 115.0 43.3 -58.2 -55.2 28.1 16.5 32.1 104 117 A L H >< S+ 0 0 1 -4,-3.0 3,-0.5 1,-0.2 -1,-0.2 0.789 106.9 63.0 -64.7 -30.3 29.7 13.7 30.1 105 118 A S H 3< S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.682 106.6 43.4 -68.5 -21.7 31.0 16.2 27.5 106 119 A R H << S+ 0 0 89 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.475 87.1 106.5-106.8 -4.0 33.3 18.0 30.0 107 120 A L << - 0 0 33 -4,-0.6 -34,-0.0 -3,-0.5 -3,-0.0 -0.447 66.2-137.3 -70.2 150.0 34.8 15.0 31.8 108 121 A P S S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.947 96.2 15.7 -74.8 -51.0 38.4 14.1 31.1 109 122 A E S S- 0 0 93 2,-0.0 -2,-0.0 0, 0.0 2,-0.0 -0.588 84.7-174.7-121.6 69.2 38.2 10.3 30.8 110 123 A P - 0 0 31 0, 0.0 2,-1.1 0, 0.0 -6,-0.0 -0.325 27.2-124.1 -68.4 148.2 34.4 9.7 30.4 111 124 A N > + 0 0 79 1,-0.2 4,-1.4 2,-0.1 3,-0.1 -0.728 35.4 169.9 -95.9 89.6 33.2 6.0 30.3 112 125 A W H > S+ 0 0 32 -2,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.746 72.2 61.5 -74.2 -28.2 31.3 5.7 27.1 113 126 A A H > S+ 0 0 72 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.944 106.4 48.1 -61.6 -46.3 30.9 1.9 27.2 114 127 A R H >> S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 3,-0.7 0.911 110.1 51.5 -56.5 -47.3 28.9 2.3 30.4 115 128 A E H 3X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.3 -1,-0.2 0.859 105.1 56.2 -61.8 -37.2 26.8 5.0 28.8 116 129 A L H 3X S+ 0 0 31 -4,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.769 107.8 49.9 -63.7 -26.8 26.0 2.7 25.8 117 130 A E H < - 0 0 41 -4,-2.8 3,-1.7 -5,-0.1 -1,-0.3 -0.852 60.1-170.1-142.8 102.5 11.0 1.8 25.8 127 140 A E T 3 S+ 0 0 12 -2,-0.4 -4,-0.1 -3,-0.3 39,-0.1 0.572 89.7 53.2 -69.0 -9.4 12.3 1.0 22.3 128 141 A R T 3 + 0 0 5 38,-0.1 2,-1.0 37,-0.1 -1,-0.3 0.250 69.6 126.6-106.9 6.2 10.7 4.2 21.0 129 142 A N <> - 0 0 2 -3,-1.7 4,-2.0 1,-0.2 3,-0.3 -0.569 39.3-170.6 -72.3 105.2 12.2 6.6 23.4 130 143 A F H > S+ 0 0 24 -2,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.793 81.5 60.9 -73.9 -27.4 13.8 9.1 21.0 131 144 A H H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.898 107.8 45.9 -59.9 -41.7 15.6 11.0 23.7 132 145 A C H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.901 111.7 49.4 -69.5 -44.9 17.5 7.7 24.4 133 146 A W H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.894 112.4 50.1 -58.3 -41.0 18.2 7.0 20.8 134 147 A D H X S+ 0 0 8 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.901 110.5 48.8 -63.3 -44.0 19.5 10.5 20.4 135 148 A Y H X S+ 0 0 10 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.881 108.6 54.8 -61.7 -39.2 21.7 10.1 23.5 136 149 A R H X 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38 -2,-0.3 4,-1.4 1,-0.1 3,-0.9 -0.390 16.6-119.2 -71.0 146.5 31.8 2.2 13.9 147 160 A P H 3> S+ 0 0 33 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.831 111.9 63.5 -50.1 -36.8 28.5 2.1 11.9 148 161 A A H 3> S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.859 101.1 49.9 -59.8 -37.3 28.9 -1.7 11.6 149 162 A E H <> S+ 0 0 115 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.924 112.0 46.7 -69.7 -43.1 28.6 -2.1 15.4 150 163 A E H X S+ 0 0 7 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.836 108.8 56.8 -66.0 -32.5 25.5 0.0 15.6 151 164 A L H X S+ 0 0 29 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.920 105.8 50.0 -62.9 -42.9 24.1 -1.9 12.6 152 165 A A H X S+ 0 0 65 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.872 108.0 54.3 -63.8 -37.3 24.5 -5.2 14.6 153 166 A F H X S+ 0 0 33 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.877 106.8 50.9 -62.3 -39.8 22.7 -3.6 17.5 154 167 A T H X S+ 0 0 1 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.882 105.0 55.6 -68.8 -39.0 19.6 -2.6 15.3 155 168 A D H X S+ 0 0 68 -4,-1.7 4,-1.4 2,-0.2 3,-0.4 0.931 107.4 48.6 -58.0 -48.9 19.2 -6.2 13.9 156 169 A S H X S+ 0 0 55 -4,-1.5 4,-1.6 1,-0.3 3,-0.2 0.897 112.2 49.6 -57.8 -43.5 19.0 -7.7 17.4 157 170 A L H X S+ 0 0 1 -4,-1.6 4,-0.6 1,-0.2 -1,-0.3 0.754 105.7 60.2 -65.6 -26.3 16.4 -5.1 18.3 158 171 A I H < S+ 0 0 20 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.895 111.3 34.7 -67.9 -41.3 14.5 -5.8 15.1 159 172 A T H < S+ 0 0 107 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.750 101.4 71.1 -94.5 -27.1 13.7 -9.5 15.8 160 173 A R H < S- 0 0 105 -4,-1.6 2,-0.3 -5,-0.2 -1,-0.2 0.776 116.1 -35.0 -62.8 -29.0 13.2 -9.6 19.6 161 174 A N < - 0 0 84 -4,-0.6 -1,-0.1 -3,-0.1 0, 0.0 -0.964 68.1 -80.5-173.3-179.1 9.8 -7.7 19.3 162 175 A F S S+ 0 0 41 -2,-0.3 -1,-0.1 1,-0.1 -35,-0.1 0.187 79.1 89.1 -80.5-154.0 7.8 -5.0 17.5 163 176 A S + 0 0 46 1,-0.1 3,-0.4 -35,-0.0 4,-0.2 0.886 53.8 148.3 61.5 45.9 7.9 -1.2 18.0 164 177 A N > + 0 0 16 1,-0.2 4,-2.8 2,-0.1 5,-0.3 0.327 27.1 103.6 -99.8 6.8 10.6 -0.9 15.4 165 178 A Y H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.931 87.3 48.7 -55.3 -44.4 10.1 2.4 13.7 166 179 A S H > S+ 0 0 1 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.835 112.6 47.1 -63.4 -35.1 13.1 3.9 15.7 167 180 A S H > S+ 0 0 1 -3,-0.3 4,-1.8 -4,-0.2 -1,-0.2 0.887 112.1 48.6 -78.3 -39.4 15.3 0.9 14.8 168 181 A W H X S+ 0 0 6 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.898 110.5 53.8 -62.5 -39.3 14.5 1.0 11.1 169 182 A H H X S+ 0 0 0 -4,-2.3 4,-0.9 -5,-0.3 -2,-0.2 0.927 107.2 49.5 -59.5 -46.5 15.1 4.7 11.1 170 183 A Y H >X S+ 0 0 9 -4,-1.8 4,-1.9 1,-0.2 3,-0.7 0.892 108.8 53.6 -60.9 -39.3 18.5 4.2 12.6 171 184 A R H 3X S+ 0 0 17 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.896 101.9 58.3 -62.8 -39.9 19.3 1.6 9.9 172 185 A S H 3< S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.744 112.0 41.4 -60.8 -26.7 18.3 4.1 7.2 173 186 A C H << S+ 0 0 33 -4,-0.9 4,-0.4 -3,-0.7 -1,-0.2 0.760 116.5 48.0 -87.1 -31.0 21.1 6.5 8.5 174 187 A L H >X S+ 0 0 4 -4,-1.9 4,-1.5 2,-0.2 3,-1.0 0.887 101.6 61.6 -77.3 -44.1 23.7 3.8 9.2 175 188 A L H 3X S+ 0 0 6 -4,-2.7 4,-0.5 1,-0.3 3,-0.4 0.893 103.2 49.1 -54.4 -49.9 23.5 1.9 5.8 176 189 A P H 34 S+ 0 0 51 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.740 107.4 58.7 -60.2 -23.1 24.5 5.0 3.7 177 190 A Q H <4 S+ 0 0 105 -3,-1.0 -2,-0.2 -4,-0.4 -3,-0.1 0.828 99.0 55.7 -74.3 -34.9 27.5 5.4 6.2 178 191 A L H < S+ 0 0 62 -4,-1.5 -1,-0.2 -3,-0.4 -3,-0.1 0.609 121.7 30.9 -71.1 -13.4 28.8 2.0 5.5 179 192 A H S < S- 0 0 71 -4,-0.5 2,-0.7 -3,-0.3 -1,-0.3 -0.555 89.1-171.3-139.5 69.7 28.9 2.9 1.8 180 193 A P + 0 0 111 0, 0.0 -3,-0.1 0, 0.0 -5,-0.0 -0.563 16.4 154.1 -83.5 107.4 29.6 6.7 1.9 181 194 A Q 0 0 89 -2,-0.7 -2,-0.1 -5,-0.2 0, 0.0 -0.772 360.0 360.0-118.8 166.5 29.3 8.6 -1.4 182 195 A P 0 0 180 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.722 360.0 360.0 -85.4 360.0 28.4 12.2 -2.2 183 ! 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 0.0 184 202 A R 0 0 119 0, 0.0 37,-0.2 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 84.1 21.4 5.4 -3.2 185 203 A L - 0 0 15 35,-1.9 2,-0.0 32,-0.1 -10,-0.0 -0.745 360.0 -99.4 -95.9 147.5 22.4 2.0 -1.8 186 204 A P > - 0 0 45 0, 0.0 4,-3.0 0, 0.0 5,-0.2 -0.380 36.8-118.8 -55.9 142.6 24.6 -0.6 -3.5 187 205 A E H > S+ 0 0 57 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.882 112.8 54.0 -60.1 -41.1 22.4 -3.3 -5.0 188 206 A N H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 113.1 43.4 -55.9 -46.3 23.9 -6.1 -2.9 189 207 A V H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.946 114.0 52.0 -63.5 -47.1 23.2 -4.1 0.3 190 208 A L H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.899 107.9 50.7 -55.2 -49.0 19.7 -3.2 -1.0 191 209 A L H X S+ 0 0 22 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.901 110.1 49.6 -57.4 -45.8 18.9 -6.8 -1.8 192 210 A K H X S+ 0 0 121 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.929 112.8 48.2 -59.2 -44.6 19.9 -7.9 1.8 193 211 A E H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.863 108.5 53.4 -63.8 -37.9 17.8 -5.1 3.2 194 212 A L H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.881 108.6 50.2 -65.4 -37.4 14.8 -6.0 1.1 195 213 A E H X S+ 0 0 127 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.939 112.2 47.2 -65.1 -46.5 15.0 -9.6 2.4 196 214 A L H X S+ 0 0 39 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.909 115.1 44.1 -60.4 -45.9 15.2 -8.4 6.0 197 215 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.922 110.8 54.6 -70.0 -41.4 12.2 -6.0 5.7 198 216 A Q H X S+ 0 0 28 -4,-2.2 4,-2.0 -5,-0.2 5,-0.2 0.898 106.8 51.5 -57.5 -44.6 10.1 -8.5 3.8 199 217 A N H X S+ 0 0 91 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.926 109.9 52.4 -53.4 -47.9 10.6 -11.0 6.6 200 218 A A H X S+ 0 0 33 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.924 112.9 40.0 -59.0 -50.4 9.5 -8.4 9.0 201 219 A F H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.744 114.4 52.2 -81.7 -18.7 6.2 -7.4 7.3 202 220 A F H < S+ 0 0 57 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.832 113.2 46.9 -76.6 -32.1 5.3 -11.0 6.4 203 221 A T H < S+ 0 0 123 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.960 133.7 14.6 -67.7 -56.3 5.8 -11.9 10.1 204 222 A D S >< S+ 0 0 62 -4,-2.6 3,-1.2 -5,-0.2 -1,-0.3 -0.805 70.2 176.8-121.6 88.4 3.8 -8.9 11.4 205 223 A P T 3 S+ 0 0 14 0, 0.0 49,-0.2 0, 0.0 50,-0.1 0.598 75.4 61.8 -68.5 -12.7 1.8 -7.4 8.5 206 224 A N T 3 S+ 0 0 108 48,-0.1 2,-0.8 47,-0.1 -5,-0.1 0.637 78.3 95.3 -88.0 -15.2 0.0 -4.8 10.7 207 225 A D X> - 0 0 17 -3,-1.2 3,-0.7 -7,-0.2 4,-0.7 -0.691 59.8-159.8 -86.4 114.0 3.1 -3.0 11.8 208 226 A Q H 3> S+ 0 0 18 -2,-0.8 4,-2.1 1,-0.2 5,-0.2 0.672 75.2 79.6 -62.3 -24.0 3.6 0.0 9.6 209 227 A S H 3> S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 94.1 46.5 -61.1 -43.7 7.3 0.6 10.3 210 228 A A H <> S+ 0 0 5 -3,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.894 112.5 51.2 -61.6 -40.6 8.6 -2.2 8.0 211 229 A W H X S+ 0 0 3 -4,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.841 109.6 49.6 -67.3 -37.4 6.3 -1.0 5.2 212 230 A F H X S+ 0 0 7 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.908 113.5 46.1 -63.6 -45.6 7.5 2.6 5.5 213 231 A Y H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.884 110.1 53.4 -66.2 -40.9 11.1 1.5 5.3 214 232 A H H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.907 103.7 56.8 -62.0 -39.6 10.4 -0.9 2.4 215 233 A R H X S+ 0 0 43 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.925 107.9 48.8 -59.3 -38.3 8.9 2.1 0.5 216 234 A W H >X S+ 0 0 57 -4,-1.5 4,-0.9 1,-0.2 3,-0.6 0.913 108.9 51.4 -65.5 -43.5 12.2 3.9 0.9 217 235 A L H >< S+ 0 0 1 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.861 101.7 63.1 -62.1 -36.5 14.2 0.9 -0.2 218 236 A L H 3< S+ 0 0 32 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.832 111.9 35.7 -57.3 -36.4 12.0 0.7 -3.4 219 237 A G H << S+ 0 0 68 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.571 99.8 82.3 -88.5 -9.7 13.3 4.1 -4.4 220 238 A A S << S+ 0 0 7 -4,-0.9 -35,-1.9 -3,-0.5 -1,-0.2 0.447 82.1 72.5 -82.1 1.5 16.8 3.7 -3.1 221 239 A G S S- 0 0 31 -3,-0.3 3,-0.1 -4,-0.3 -3,-0.1 0.340 95.9 -80.5 -95.2-138.3 18.1 1.7 -6.1 222 240 A S S S- 0 0 62 1,-0.2 3,-0.1 -38,-0.1 -3,-0.1 0.398 72.4 -84.6-119.4 -3.0 19.0 2.5 -9.8 223 241 A G > - 0 0 47 1,-0.1 3,-1.6 2,-0.1 -1,-0.2 0.039 34.8 -91.8 106.0 148.4 15.8 2.6 -11.8 224 242 A R G > S+ 0 0 46 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.753 120.6 61.5 -66.1 -30.4 13.4 0.2 -13.5 225 243 A C G 3 S+ 0 0 142 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.669 107.6 47.5 -63.9 -20.1 15.2 0.5 -16.9 226 244 A E G < S+ 0 0 138 -3,-1.6 -1,-0.2 2,-0.0 -2,-0.2 0.175 78.9 148.8-108.7 13.0 18.3 -0.9 -15.1 227 245 A L < - 0 0 41 -3,-1.2 -3,-0.1 39,-0.1 2,-0.0 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1,-0.0 2,-0.5 -0.557 28.1-149.4 -69.0 128.0 21.2 22.2 23.8 448 141 B I B +D 441 0D 36 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.878 30.7 149.3-102.7 127.6 20.9 21.9 20.0 449 142 B D >> - 0 0 0 -9,-1.3 3,-1.8 -2,-0.5 4,-0.8 -0.967 53.2-127.9-155.4 139.4 17.4 21.3 18.5 450 143 B T H 3> S+ 0 0 1 40,-1.7 4,-2.0 -2,-0.3 5,-0.2 0.722 108.5 72.9 -60.5 -22.8 15.7 22.2 15.2 451 144 B R H 3> S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.897 98.1 49.0 -52.3 -38.5 12.9 23.6 17.5 452 145 B F H <> S+ 0 0 1 -3,-1.8 4,-2.4 -12,-0.2 -2,-0.2 0.777 102.5 58.4 -77.4 -28.1 15.5 26.4 18.2 453 146 B S H X S+ 0 0 0 -4,-0.8 4,-2.2 -13,-0.2 5,-0.2 0.907 111.2 44.8 -59.7 -44.1 16.3 27.0 14.6 454 147 B F H X S+ 0 0 13 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.937 111.2 51.4 -65.2 -49.3 12.6 27.8 14.2 455 148 B C H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.920 112.1 49.6 -52.6 -44.8 12.4 29.9 17.4 456 149 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.947 116.4 36.8 -62.2 -54.2 15.4 31.9 16.1 457 150 B V H X S+ 0 0 0 -4,-2.2 4,-2.6 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