==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 14-DEC-10 3PZ3 . COMPND 2 MOLECULE: GERANYLGERANYL TRANSFERASE TYPE-2 SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Z.GUO,R.S.BON,E.A.STIGTER,H.WALDMANN,K.ALEXANDROV,W.BLANKENF . 632 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 73.6 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 . 23 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 326 51.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 3 2 2 2 5 8 0 0 1 0 0 2 2 0 0 0 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 17 A K > 0 0 129 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -56.6 -4.9 12.8 48.6 2 18 A R T 4 + 0 0 92 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.189 360.0 54.3 -95.7 37.5 -5.8 16.3 47.5 3 19 A L T >> S+ 0 0 69 3,-0.0 3,-1.0 2,-0.0 4,-0.8 0.519 98.2 55.0-129.0 -49.1 -4.5 17.7 50.7 4 20 A E H >> S+ 0 0 61 1,-0.3 4,-2.3 2,-0.2 3,-0.6 0.820 102.0 60.5 -57.4 -35.6 -0.9 16.4 51.0 5 21 A R H 3X S+ 0 0 122 -4,-0.7 4,-2.5 2,-0.3 -1,-0.3 0.755 97.2 59.0 -67.7 -25.0 -0.1 17.9 47.5 6 22 A E H <> S+ 0 0 62 -3,-1.0 4,-0.9 2,-0.2 -1,-0.3 0.796 111.4 42.3 -65.7 -30.2 -1.0 21.3 49.0 7 23 A Q H S+ 0 0 38 -4,-2.7 5,-2.4 1,-0.2 4,-0.3 0.841 110.3 52.5 -58.3 -37.1 21.0 31.5 47.3 23 39 A R H ><5S+ 0 0 55 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.890 107.4 49.7 -70.0 -40.9 21.8 32.1 43.6 24 40 A Q H 3<5S+ 0 0 182 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.830 108.9 55.8 -63.5 -31.3 21.3 35.9 43.9 25 41 A A T 3<5S- 0 0 58 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.501 114.5-116.5 -77.4 -6.8 23.7 35.7 46.9 26 42 A G T < 5 + 0 0 52 -3,-1.1 2,-1.8 -4,-0.3 -3,-0.2 0.660 64.7 149.0 74.3 17.3 26.5 34.0 44.9 27 43 A E < + 0 0 72 -5,-2.4 2,-1.7 -6,-0.2 -1,-0.2 -0.525 15.7 171.2 -85.2 73.1 26.2 30.9 47.1 28 44 A L + 0 0 48 -2,-1.8 2,-0.2 -3,-0.1 -1,-0.1 -0.611 33.8 126.6 -81.8 81.8 27.1 28.3 44.5 29 45 A D S >> S- 0 0 45 -2,-1.7 3,-1.9 30,-0.1 4,-0.9 -0.790 76.7 -85.9-137.0 177.1 27.3 25.4 47.0 30 46 A E H 3> S+ 0 0 91 1,-0.3 4,-2.3 -2,-0.2 5,-0.1 0.658 114.9 70.5 -60.5 -21.7 26.2 21.9 47.8 31 47 A S H 3> S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.821 97.1 52.0 -66.3 -29.9 23.0 23.2 49.5 32 48 A V H <> S+ 0 0 5 -3,-1.9 4,-3.2 2,-0.2 5,-0.2 0.881 107.3 51.7 -72.2 -39.6 21.7 24.2 46.1 33 49 A L H X S+ 0 0 16 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.907 111.0 49.7 -60.1 -42.2 22.4 20.7 44.8 34 50 A E H X S+ 0 0 115 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.953 114.4 42.9 -57.0 -54.5 20.4 19.4 47.8 35 51 A L H >< S+ 0 0 28 -4,-2.4 3,-0.6 1,-0.2 4,-0.5 0.934 114.7 49.5 -61.5 -47.1 17.5 21.8 47.1 36 52 A T H >X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 3,-1.3 0.870 104.0 59.0 -64.2 -34.1 17.4 21.2 43.4 37 53 A S H 3X S+ 0 0 39 -4,-2.0 4,-0.9 1,-0.3 -1,-0.2 0.854 103.0 55.0 -61.8 -32.1 17.5 17.4 43.8 38 54 A Q H << S+ 0 0 109 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.598 118.3 32.9 -74.8 -16.3 14.3 17.7 45.8 39 55 A I H <> S+ 0 0 2 -3,-1.3 4,-2.2 -4,-0.5 3,-0.4 0.755 112.1 56.9-107.1 -40.7 12.6 19.6 42.9 40 56 A L H < S+ 0 0 0 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.1 0.719 96.0 66.6 -71.2 -22.7 14.1 18.1 39.7 41 57 A G T < S+ 0 0 25 -4,-0.9 -1,-0.2 -5,-0.3 -3,-0.1 0.926 118.4 22.5 -59.9 -46.9 13.1 14.5 40.6 42 58 A A T 4 S+ 0 0 76 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.724 136.2 37.2 -88.9 -27.0 9.4 15.3 40.2 43 59 A N >< + 0 0 38 -4,-2.2 3,-1.5 1,-0.1 -1,-0.2 -0.524 60.6 155.9-133.0 62.7 9.8 18.3 38.0 44 60 A P T 3 + 0 0 6 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 0.548 68.6 70.4 -71.7 -8.3 12.7 17.7 35.5 45 61 A D T 3 + 0 0 70 1,-0.1 2,-1.9 -3,-0.1 3,-0.1 0.447 65.8 106.7 -87.9 1.6 11.3 20.2 33.0 46 62 A F X> - 0 0 1 -3,-1.5 3,-1.1 1,-0.2 4,-0.9 -0.579 53.1-177.0 -77.2 81.3 12.2 23.1 35.3 47 63 A A H 3> S+ 0 0 41 -2,-1.9 4,-1.7 1,-0.3 3,-0.2 0.779 70.3 62.8 -54.1 -39.7 15.2 24.1 33.1 48 64 A T H 3> S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.858 99.7 55.1 -61.9 -34.9 16.5 26.9 35.2 49 65 A L H <> S+ 0 0 0 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.869 104.4 52.7 -68.3 -36.4 17.3 24.5 38.1 50 66 A W H X S+ 0 0 2 -4,-0.9 4,-2.2 -3,-0.2 -1,-0.2 0.881 108.6 52.6 -58.2 -38.9 19.4 22.3 35.7 51 67 A N H X S+ 0 0 4 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.902 107.5 50.8 -64.3 -43.3 21.3 25.5 34.9 52 68 A C H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.867 107.9 52.8 -58.6 -42.0 21.8 26.2 38.6 53 69 A R H X S+ 0 0 11 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.949 111.1 46.9 -61.7 -46.1 23.2 22.6 39.1 54 70 A R H X S+ 0 0 9 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.882 110.9 51.8 -60.9 -41.5 25.7 23.2 36.2 55 71 A E H X S+ 0 0 46 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.916 112.2 46.2 -62.4 -43.2 26.7 26.6 37.7 56 72 A V H X S+ 0 0 1 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.956 113.4 48.3 -62.1 -50.2 27.4 25.1 41.1 57 73 A L H X S+ 0 0 11 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.906 112.4 49.2 -62.1 -42.8 29.3 22.1 39.6 58 74 A Q H < S+ 0 0 85 -4,-2.8 4,-0.5 -5,-0.2 -1,-0.2 0.936 114.4 45.6 -56.5 -48.3 31.4 24.5 37.4 59 75 A H H >X S+ 0 0 61 -4,-2.4 3,-1.9 1,-0.2 4,-0.8 0.953 110.2 52.5 -62.0 -52.3 32.1 26.7 40.5 60 76 A L H >< S+ 0 0 6 -4,-3.1 3,-0.6 1,-0.3 -1,-0.2 0.821 99.9 62.7 -55.0 -36.0 33.0 23.8 42.8 61 77 A E T 3< S+ 0 0 103 -4,-1.7 3,-0.3 1,-0.2 -1,-0.3 0.681 99.0 57.8 -68.1 -15.4 35.5 22.4 40.3 62 78 A T T <4 S+ 0 0 94 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.834 116.9 30.9 -77.0 -34.7 37.5 25.6 40.7 63 79 A E S << S+ 0 0 129 -4,-0.8 2,-0.3 -3,-0.6 -2,-0.2 -0.080 109.0 73.1-122.1 34.3 37.9 25.2 44.5 64 80 A K S S- 0 0 50 -3,-0.3 0, 0.0 -4,-0.1 0, 0.0 -0.951 81.2 -99.5-140.7 160.0 38.0 21.5 45.1 65 81 A S > - 0 0 44 -2,-0.3 4,-2.6 1,-0.1 5,-0.3 -0.288 35.4-106.1 -75.7 160.8 40.5 18.8 44.4 66 82 A P H > S+ 0 0 119 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.881 124.3 51.2 -47.2 -42.4 40.5 16.4 41.4 67 83 A E H > S+ 0 0 163 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.896 111.2 44.3 -64.4 -46.4 39.4 13.7 43.9 68 84 A E H > S+ 0 0 98 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.819 115.6 48.8 -70.3 -32.2 36.5 15.8 45.4 69 85 A S H X S+ 0 0 19 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.861 108.4 53.7 -73.5 -37.6 35.4 16.9 41.8 70 86 A A H X S+ 0 0 52 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.872 108.7 50.6 -61.8 -37.4 35.6 13.3 40.6 71 87 A A H X S+ 0 0 61 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.852 107.9 51.6 -70.0 -39.4 33.2 12.4 43.5 72 88 A L H X S+ 0 0 28 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.880 108.5 52.4 -62.9 -39.3 30.8 15.1 42.6 73 89 A V H X S+ 0 0 25 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.931 109.9 47.3 -63.0 -46.4 30.7 13.9 39.0 74 90 A K H X S+ 0 0 160 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.889 111.1 51.5 -64.6 -37.5 29.9 10.3 40.1 75 91 A A H X S+ 0 0 63 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.863 109.2 52.1 -64.6 -35.0 27.2 11.6 42.5 76 92 A E H X S+ 0 0 4 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.856 105.7 53.7 -69.0 -36.6 25.7 13.6 39.5 77 93 A L H X S+ 0 0 17 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.868 111.0 46.3 -64.5 -38.2 25.6 10.5 37.4 78 94 A G H X S+ 0 0 40 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.886 112.0 50.0 -71.0 -42.8 23.6 8.6 40.0 79 95 A F H X S+ 0 0 29 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.935 111.4 49.7 -58.5 -48.3 21.3 11.5 40.5 80 96 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.914 110.4 49.7 -57.5 -45.1 20.7 11.7 36.7 81 97 A E H X S+ 0 0 50 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.873 109.4 50.9 -67.2 -36.9 20.0 8.0 36.5 82 98 A S H X S+ 0 0 44 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.898 110.6 50.6 -64.6 -40.0 17.5 8.1 39.4 83 99 A C H X S+ 0 0 5 -4,-2.4 4,-2.7 1,-0.2 3,-0.3 0.894 108.9 50.9 -60.2 -42.5 15.8 11.0 37.6 84 100 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.811 103.6 58.7 -69.2 -31.4 15.6 9.1 34.3 85 101 A R H < S+ 0 0 162 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.851 113.1 39.7 -62.8 -34.8 14.1 6.1 36.0 86 102 A V H < S+ 0 0 108 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.887 138.0 11.0 -83.1 -43.3 11.2 8.4 37.1 87 103 A N >< + 0 0 48 -4,-2.7 3,-0.7 -5,-0.1 -1,-0.2 -0.755 60.6 173.4-138.3 92.2 10.9 10.3 33.8 88 104 A P T 3 S+ 0 0 36 0, 0.0 41,-0.2 0, 0.0 40,-0.1 0.404 75.4 63.8 -76.9 5.1 12.9 9.0 30.8 89 105 A K T 3 + 0 0 113 39,-0.1 2,-0.6 38,-0.1 3,-0.1 -0.064 68.0 118.2-121.0 30.7 11.3 11.5 28.4 90 106 A S <> - 0 0 0 -3,-0.7 4,-1.5 1,-0.2 3,-0.2 -0.891 51.1-154.6-102.3 122.5 12.6 14.8 29.7 91 107 A Y H > S+ 0 0 55 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.891 94.6 58.2 -53.3 -43.9 14.8 16.9 27.4 92 108 A G H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.857 104.4 47.4 -58.4 -42.8 16.4 18.6 30.4 93 109 A T H > S+ 0 0 0 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.913 113.4 47.1 -70.2 -45.5 17.7 15.4 32.1 94 110 A W H X S+ 0 0 14 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.879 112.0 50.2 -64.0 -41.2 19.2 13.9 28.9 95 111 A H H X S+ 0 0 29 -4,-2.3 4,-3.5 1,-0.2 5,-0.2 0.918 107.4 54.4 -64.7 -41.7 20.9 17.2 28.0 96 112 A H H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.905 108.1 49.2 -57.4 -40.8 22.4 17.5 31.5 97 113 A R H X S+ 0 0 3 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.917 112.4 48.0 -65.8 -42.7 23.9 14.1 31.2 98 114 A C H X S+ 0 0 31 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.941 112.1 49.5 -59.1 -50.4 25.4 15.0 27.8 99 115 A W H X S+ 0 0 33 -4,-3.5 4,-0.7 1,-0.2 -2,-0.2 0.956 113.8 47.0 -52.3 -52.1 26.7 18.3 29.2 100 116 A L H >< S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.2 4,-0.4 0.925 114.4 44.2 -56.9 -52.7 28.2 16.3 32.1 101 117 A L H >< S+ 0 0 1 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.801 106.0 62.4 -65.9 -31.1 29.9 13.6 30.0 102 118 A S H 3< S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.649 105.9 45.9 -70.6 -17.3 31.2 16.1 27.4 103 119 A R T << S+ 0 0 88 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.447 86.5 106.7-108.5 -1.9 33.4 17.8 30.0 104 120 A L < - 0 0 32 -3,-0.7 -3,-0.0 -4,-0.4 -4,-0.0 -0.515 66.0-137.9 -76.3 144.3 35.0 14.7 31.7 105 121 A P S S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.955 98.0 15.6 -64.0 -54.3 38.6 13.9 31.0 106 122 A E S S- 0 0 90 -3,-0.0 2,-0.0 2,-0.0 -3,-0.0 -0.647 81.0-173.8-126.1 75.8 38.0 10.2 30.7 107 123 A P - 0 0 33 0, 0.0 2,-0.9 0, 0.0 -6,-0.0 -0.356 27.3-125.5 -65.7 145.6 34.4 9.4 30.3 108 124 A N > + 0 0 79 1,-0.2 4,-1.1 2,-0.1 32,-0.0 -0.817 35.1 170.8 -94.3 96.6 33.3 5.8 30.4 109 125 A W H > S+ 0 0 34 -2,-0.9 4,-2.5 2,-0.2 5,-0.2 0.781 71.5 62.4 -80.5 -30.7 31.4 5.5 27.1 110 126 A A H > S+ 0 0 72 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.899 106.6 48.4 -60.4 -37.5 31.0 1.7 27.1 111 127 A R H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.888 109.3 51.7 -68.3 -41.7 29.0 2.1 30.3 112 128 A E H X S+ 0 0 0 -4,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.876 106.9 53.7 -64.3 -37.6 26.9 4.9 28.7 113 129 A L H X S+ 0 0 31 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.829 108.4 50.5 -62.7 -32.8 26.1 2.6 25.7 114 130 A E H X S+ 0 0 105 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.860 105.3 55.0 -75.1 -37.1 24.9 -0.0 28.2 115 131 A L H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.925 109.2 49.8 -57.9 -43.5 22.7 2.5 29.9 116 132 A C H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.911 107.7 52.0 -60.1 -47.3 21.1 3.1 26.5 117 133 A A H X S+ 0 0 22 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.875 111.3 49.2 -56.8 -40.3 20.6 -0.6 25.8 118 134 A R H X S+ 0 0 94 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.918 112.1 45.4 -67.2 -47.5 18.8 -0.8 29.2 119 135 A F H X S+ 0 0 24 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.853 112.0 53.3 -67.8 -31.1 16.5 2.2 28.6 120 136 A L H < S+ 0 0 1 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.745 104.0 56.3 -74.1 -24.4 15.8 0.9 25.1 121 137 A E H < S+ 0 0 135 -4,-1.1 3,-0.3 -5,-0.2 -1,-0.2 0.868 111.1 44.3 -66.7 -40.2 14.8 -2.5 26.6 122 138 A A H < S+ 0 0 89 -4,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.941 137.8 5.8 -66.7 -48.9 12.3 -0.6 28.7 123 139 A D >< - 0 0 43 -4,-2.7 3,-1.7 -5,-0.1 -1,-0.3 -0.853 59.6-170.1-144.6 101.2 11.0 1.6 25.7 124 140 A E T 3 S+ 0 0 13 -2,-0.3 -4,-0.1 1,-0.3 39,-0.1 0.556 89.2 55.1 -70.5 -8.1 12.3 0.8 22.2 125 141 A R T 3 + 0 0 6 38,-0.1 2,-1.1 37,-0.1 -1,-0.3 0.267 69.1 126.0-105.8 7.1 10.7 4.0 20.9 126 142 A N <> - 0 0 4 -3,-1.7 4,-2.1 1,-0.2 3,-0.3 -0.551 38.4-172.3 -73.7 102.5 12.4 6.5 23.4 127 143 A F H > S+ 0 0 26 -2,-1.1 4,-2.7 1,-0.2 -1,-0.2 0.768 81.2 60.5 -71.3 -26.2 13.9 9.0 20.9 128 144 A H H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 109.1 45.2 -61.2 -43.8 15.8 10.8 23.7 129 145 A C H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.887 112.5 48.8 -68.4 -43.7 17.5 7.6 24.4 130 146 A W H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.902 112.8 49.9 -59.4 -42.8 18.2 6.8 20.7 131 147 A D H X S+ 0 0 9 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.914 111.0 48.8 -60.1 -45.7 19.5 10.4 20.4 132 148 A Y H X S+ 0 0 9 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.901 108.7 54.3 -60.3 -41.1 21.8 9.9 23.4 133 149 A R H X S+ 0 0 15 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.883 107.3 49.1 -62.1 -41.6 23.0 6.6 22.0 134 150 A R H X S+ 0 0 37 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.831 111.3 51.8 -64.5 -34.0 24.1 8.3 18.7 135 151 A F H X S+ 0 0 42 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.960 112.8 43.7 -65.2 -51.0 25.8 10.9 20.8 136 152 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.879 112.1 53.0 -61.7 -42.8 27.7 8.3 22.8 137 153 A A H <>S+ 0 0 6 -4,-2.6 5,-3.5 2,-0.2 -1,-0.2 0.874 111.8 46.4 -60.6 -40.9 28.5 6.2 19.6 138 154 A A H ><5S+ 0 0 72 -4,-1.8 3,-1.9 3,-0.2 -2,-0.2 0.962 112.5 48.8 -65.3 -52.1 30.0 9.3 18.0 139 155 A Q H 3<5S+ 0 0 101 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.879 117.5 41.4 -57.3 -41.5 32.0 10.3 21.1 140 156 A A T 3<5S- 0 0 40 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.345 110.4-126.3 -85.1 4.2 33.4 6.8 21.4 141 157 A A T < 5 - 0 0 87 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.915 40.4-177.9 47.0 50.7 33.8 6.6 17.6 142 158 A V < - 0 0 44 -5,-3.5 -1,-0.2 -6,-0.1 -2,-0.0 -0.634 27.3-111.6 -78.3 139.9 31.8 3.4 17.4 143 159 A A >> - 0 0 41 -2,-0.3 4,-1.5 1,-0.1 3,-1.3 -0.443 12.9-121.3 -80.7 143.3 31.6 2.0 13.9 144 160 A P H 3> S+ 0 0 32 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.811 111.3 62.5 -42.1 -39.5 28.4 2.0 11.7 145 161 A A H 3> S+ 0 0 44 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.838 102.3 48.2 -62.1 -37.3 28.8 -1.8 11.5 146 162 A E H <> S+ 0 0 112 -3,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.924 111.1 49.4 -70.6 -44.9 28.4 -2.4 15.2 147 163 A E H X S+ 0 0 6 -4,-1.5 4,-2.0 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2,-0.3 -5,-0.2 -1,-0.2 0.732 122.9 -31.9 -65.7 -24.8 13.4 -9.9 19.3 158 174 A N < - 0 0 83 -4,-0.8 -1,-0.1 -5,-0.1 0, 0.0 -0.963 68.9 -88.3-174.1-179.4 10.0 -8.0 19.3 159 175 A F S S+ 0 0 46 -2,-0.3 -1,-0.1 1,-0.1 -35,-0.1 0.297 75.9 96.0 -83.9-145.1 8.0 -5.2 17.5 160 176 A S + 0 0 50 1,-0.1 3,-0.3 -35,-0.0 4,-0.2 0.940 54.8 151.8 52.8 53.3 7.9 -1.4 18.2 161 177 A N > + 0 0 10 1,-0.2 4,-2.6 2,-0.1 3,-0.3 0.437 27.8 100.2 -98.2 -2.4 10.5 -1.2 15.4 162 178 A Y H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 88.4 48.3 -55.1 -42.7 10.1 2.3 13.8 163 179 A S H > S+ 0 0 1 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.864 112.2 47.9 -66.0 -37.5 13.0 3.7 15.7 164 180 A S H > S+ 0 0 1 -3,-0.3 4,-2.1 -4,-0.2 -1,-0.2 0.903 112.1 48.4 -71.9 -42.1 15.3 0.8 14.8 165 181 A W H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.892 110.0 53.4 -62.0 -39.7 14.4 0.8 11.1 166 182 A H H X S+ 0 0 0 -4,-2.2 4,-1.1 -5,-0.3 -2,-0.2 0.939 107.1 51.0 -59.5 -45.5 15.0 4.6 11.1 167 183 A Y H >X S+ 0 0 10 -4,-1.9 4,-2.0 1,-0.2 3,-0.9 0.933 108.2 53.0 -59.4 -42.2 18.5 4.1 12.6 168 184 A R H 3X S+ 0 0 14 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.877 101.7 58.7 -59.2 -40.3 19.2 1.5 9.8 169 185 A S H 3< S+ 0 0 8 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.776 112.8 40.9 -58.3 -27.9 18.2 4.0 7.1 170 186 A C H << S+ 0 0 34 -4,-1.1 4,-0.5 -3,-0.9 -2,-0.2 0.769 116.1 48.1 -89.4 -33.7 21.0 6.3 8.5 171 187 A L H >X S+ 0 0 4 -4,-2.0 4,-1.4 -5,-0.2 3,-1.4 0.930 102.4 60.8 -73.1 -49.5 23.6 3.7 9.2 172 188 A L H 3X S+ 0 0 4 -4,-2.5 4,-0.7 1,-0.3 3,-0.4 0.873 102.2 50.9 -51.7 -48.8 23.5 1.9 5.8 173 189 A P H 34 S+ 0 0 48 0, 0.0 -1,-0.3 0, 0.0 5,-0.2 0.786 107.7 56.4 -58.3 -26.6 24.5 4.9 3.7 174 190 A Q H <4 S+ 0 0 107 -3,-1.4 -2,-0.2 -4,-0.5 -3,-0.1 0.819 101.8 53.9 -73.7 -33.7 27.5 5.3 6.1 175 191 A L H < S+ 0 0 60 -4,-1.4 -1,-0.2 -3,-0.4 -3,-0.1 0.637 123.2 30.4 -71.8 -15.5 28.8 1.8 5.4 176 192 A H S < S- 0 0 68 -4,-0.7 2,-1.2 -3,-0.2 -1,-0.3 -0.553 88.1-173.9-139.4 66.7 28.7 2.7 1.7 177 193 A P + 0 0 106 0, 0.0 -3,-0.1 0, 0.0 -5,-0.0 -0.534 10.7 166.0 -84.8 91.8 29.3 6.5 1.8 178 194 A Q 0 0 123 -2,-1.2 -2,-0.1 -5,-0.2 0, 0.0 -0.537 360.0 360.0 -92.2 164.2 29.0 8.0 -1.7 179 195 A P 0 0 174 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.566 360.0 360.0 -76.8 360.0 28.8 11.8 -2.3 180 ! 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 0.0 181 202 A R 0 0 77 0, 0.0 -3,-0.2 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0 130.4 21.0 5.3 -3.0 182 203 A L - 0 0 12 35,-1.8 2,-0.0 32,-0.1 -10,-0.0 -0.877 360.0 -99.5-113.3 149.6 22.3 1.9 -1.8 183 204 A P > - 0 0 44 0, 0.0 4,-3.0 0, 0.0 3,-0.3 -0.394 39.2-115.6 -59.4 145.6 24.5 -0.6 -3.7 184 205 A E H > S+ 0 0 58 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.867 113.3 54.4 -57.5 -42.1 22.2 -3.4 -5.1 185 206 A N H > S+ 0 0 98 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.911 113.8 42.4 -59.3 -41.1 23.8 -6.2 -3.0 186 207 A V H > S+ 0 0 5 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.941 114.4 51.8 -67.7 -46.5 23.1 -4.2 0.2 187 208 A L H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.930 108.9 49.8 -56.4 -50.7 19.6 -3.2 -1.1 188 209 A L H X S+ 0 0 22 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.845 110.1 50.6 -57.4 -38.8 18.7 -6.9 -1.9 189 210 A K H X S+ 0 0 119 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.891 111.6 48.5 -66.2 -39.2 19.8 -8.0 1.6 190 211 A E H X S+ 0 0 8 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.878 108.1 54.0 -69.5 -38.8 17.7 -5.2 3.2 191 212 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.882 108.6 49.9 -61.0 -38.6 14.6 -6.1 1.1 192 213 A E H X S+ 0 0 127 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.928 113.1 46.2 -65.9 -44.9 15.0 -9.7 2.4 193 214 A L H X S+ 0 0 31 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.929 115.9 44.2 -63.1 -47.1 15.2 -8.5 6.0 194 215 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.910 111.1 53.1 -68.7 -40.0 12.2 -6.1 5.7 195 216 A Q H X S+ 0 0 32 -4,-2.3 4,-1.5 -5,-0.2 5,-0.2 0.877 106.2 54.4 -64.8 -38.1 10.0 -8.5 3.8 196 217 A N H X S+ 0 0 94 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.926 108.7 51.3 -52.5 -48.6 10.6 -11.1 6.6 197 218 A A H X S+ 0 0 22 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.934 111.6 42.7 -58.4 -51.6 9.4 -8.4 9.1 198 219 A F H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.671 114.4 49.9 -81.9 -11.9 6.1 -7.5 7.3 199 220 A F H < S+ 0 0 66 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.700 112.7 49.4 -86.4 -23.8 5.2 -11.1 6.5 200 221 A T H < S+ 0 0 121 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.936 134.7 10.4 -72.5 -51.7 5.9 -11.9 10.2 201 222 A D >< - 0 0 62 -4,-2.7 3,-2.0 -5,-0.2 -1,-0.2 -0.745 68.3-178.9-129.5 84.9 3.7 -9.0 11.4 202 223 A P T 3 S+ 0 0 13 0, 0.0 49,-0.2 0, 0.0 50,-0.1 0.541 81.5 60.6 -62.0 -8.1 1.8 -7.5 8.5 203 224 A N T 3 S+ 0 0 81 48,-0.1 2,-0.9 46,-0.0 3,-0.1 0.540 74.6 103.2 -92.6 -11.0 0.2 -4.9 10.8 204 225 A D <> - 0 0 4 -3,-2.0 4,-0.7 1,-0.2 3,-0.4 -0.639 55.4-166.7 -72.0 107.8 3.6 -3.4 11.8 205 226 A Q H > S+ 0 0 20 -2,-0.9 4,-2.0 1,-0.2 5,-0.2 0.770 74.8 74.0 -66.7 -24.9 3.5 -0.2 9.7 206 227 A S H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 94.3 48.7 -62.5 -43.3 7.2 0.5 10.3 207 228 A A H > S+ 0 0 0 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.866 110.9 51.9 -61.8 -38.7 8.5 -2.3 8.0 208 229 A W H X S+ 0 0 3 -4,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.870 109.8 48.6 -66.9 -40.1 6.1 -1.1 5.2 209 230 A F H X S+ 0 0 7 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.908 114.2 46.1 -62.3 -45.6 7.4 2.5 5.5 210 231 A Y H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.880 110.3 53.9 -66.8 -37.7 11.0 1.4 5.4 211 232 A H H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.922 104.2 55.1 -64.7 -39.5 10.2 -0.9 2.4 212 233 A R H X S+ 0 0 43 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.918 108.1 50.2 -60.6 -38.8 8.8 2.0 0.5 213 234 A W H >X S+ 0 0 54 -4,-1.6 4,-1.2 1,-0.2 3,-0.6 0.923 108.7 50.9 -60.8 -45.6 12.0 3.8 1.0 214 235 A L H 3< S+ 0 0 2 -4,-2.0 4,-0.3 1,-0.2 3,-0.3 0.870 102.8 60.8 -62.7 -38.7 14.1 0.8 -0.2 215 236 A L H 3< S+ 0 0 34 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.814 111.9 38.5 -55.9 -36.2 11.9 0.7 -3.4 216 237 A G H << S+ 0 0 67 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.675 100.7 77.4 -83.6 -18.1 13.1 4.2 -4.3 217 238 A A S < S+ 0 0 7 -4,-1.2 -35,-1.8 -3,-0.3 -1,-0.2 0.398 83.0 77.6 -81.4 3.7 16.7 3.7 -3.1 218 239 A G S S- 0 0 24 -3,-0.4 3,-0.1 -4,-0.3 -3,-0.1 0.343 94.3 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