==== 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 12-FEB-10 3LSN . COMPND 2 MOLECULE: GERANYLTRANSTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR V.N.MALASHKEVICH,R.TORO,J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW Y . 280 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 78.6 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 . 3 1.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 1 0 0 0 0 1 3 1 0 1 1 0 1 2 0 1 0 0 0 0 0 0 0 0 0 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A S > 0 0 97 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 165.0 15.4 40.9 21.7 2 3 A L H > + 0 0 29 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.862 360.0 57.3 -69.5 -34.9 18.4 38.9 20.5 3 4 A T H > S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 110.7 43.3 -55.7 -49.7 16.0 36.6 18.6 4 5 A A H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.910 114.9 49.2 -62.1 -43.8 14.8 39.6 16.7 5 6 A Y H X S+ 0 0 30 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.896 110.7 49.9 -69.0 -39.0 18.3 41.0 16.2 6 7 A Q H X S+ 0 0 36 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.910 110.6 51.3 -60.6 -42.5 19.6 37.6 15.0 7 8 A A H X S+ 0 0 50 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.913 112.1 44.8 -63.8 -44.9 16.7 37.4 12.5 8 9 A S H X S+ 0 0 65 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.873 114.2 50.1 -65.3 -39.7 17.3 40.8 11.1 9 10 A S H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.928 112.0 47.2 -63.9 -47.0 21.0 40.2 10.8 10 11 A Q H X S+ 0 0 41 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.920 113.7 47.9 -60.0 -47.1 20.5 36.9 9.1 11 12 A A H X S+ 0 0 61 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.916 112.8 48.6 -62.9 -42.0 18.0 38.3 6.6 12 13 A R H X S+ 0 0 60 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.944 114.8 41.8 -68.2 -48.1 20.2 41.3 5.8 13 14 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.882 113.4 53.6 -68.3 -35.7 23.4 39.4 5.1 14 15 A D H X S+ 0 0 40 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.907 111.3 45.9 -65.0 -40.8 21.6 36.7 3.2 15 16 A A H X S+ 0 0 71 -4,-2.1 4,-0.6 -5,-0.2 3,-0.2 0.910 113.7 49.5 -67.7 -40.7 20.0 39.2 0.9 16 17 A A H < S+ 0 0 12 -4,-2.2 4,-0.5 1,-0.2 3,-0.4 0.879 110.8 49.5 -65.5 -37.5 23.4 41.0 0.5 17 18 A X H >X S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 4,-0.6 0.749 90.8 82.9 -74.4 -22.3 25.2 37.8 -0.3 18 19 A H H >< S+ 0 0 128 -4,-1.2 3,-1.5 1,-0.3 -1,-0.2 0.882 89.0 49.0 -49.4 -50.5 22.6 36.8 -2.9 19 20 A T G >< S+ 0 0 97 -4,-0.6 3,-1.3 -3,-0.4 -1,-0.3 0.836 101.4 65.6 -60.9 -33.0 24.1 38.9 -5.8 20 21 A L G <4 S+ 0 0 23 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.700 96.3 57.8 -63.8 -18.2 27.6 37.6 -5.1 21 22 A F G << S+ 0 0 1 -3,-1.5 2,-0.6 -4,-0.6 -1,-0.3 0.138 71.0 108.9-111.3 18.9 26.6 34.0 -6.1 22 23 A T < - 0 0 99 -3,-1.3 7,-0.0 -4,-0.0 -3,-0.0 -0.858 68.9-127.3 -92.8 121.0 25.4 34.4 -9.7 23 24 A A - 0 0 24 -2,-0.6 6,-0.1 1,-0.1 -2,-0.1 -0.379 4.8-137.4 -65.5 141.7 27.9 32.8 -12.1 24 25 A P S S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.629 86.2 15.6 -75.2 -9.7 29.0 35.0 -14.9 25 26 A S S > S- 0 0 36 1,-0.1 3,-1.2 0, 0.0 4,-0.4 -0.990 77.7-110.8-156.0 157.1 28.7 32.1 -17.3 26 27 A P G > S+ 0 0 113 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.837 115.3 63.7 -58.0 -32.7 27.2 28.6 -17.6 27 28 A E G 3 S+ 0 0 163 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.791 108.0 42.0 -61.2 -28.0 30.7 27.1 -17.5 28 29 A L G <> S+ 0 0 66 -3,-1.2 4,-2.1 1,-0.2 -1,-0.3 0.395 85.7 100.9 -99.1 -0.0 31.1 28.5 -14.0 29 30 A A H <> S+ 0 0 46 -3,-1.2 4,-2.7 -4,-0.4 5,-0.2 0.876 79.0 51.1 -58.2 -45.0 27.6 27.6 -12.7 30 31 A R H > S+ 0 0 122 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.890 109.7 50.7 -64.5 -38.9 28.7 24.5 -10.8 31 32 A L H > S+ 0 0 53 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.938 112.4 45.8 -62.0 -47.6 31.4 26.4 -8.9 32 33 A Y H X S+ 0 0 44 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.899 111.6 53.5 -65.1 -35.4 29.0 29.2 -7.9 33 34 A E H X S+ 0 0 94 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.914 108.1 49.7 -63.4 -42.7 26.5 26.5 -6.9 34 35 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.889 111.1 49.4 -65.2 -37.7 29.0 24.8 -4.7 35 36 A X H X S+ 0 0 4 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.935 111.7 48.5 -63.9 -46.2 29.9 28.2 -3.1 36 37 A R H >X S+ 0 0 99 -4,-2.7 4,-3.7 1,-0.2 3,-0.7 0.907 109.5 53.0 -58.1 -41.8 26.2 28.9 -2.5 37 38 A Y H 3< S+ 0 0 59 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.869 107.8 51.6 -61.6 -38.8 25.7 25.5 -1.0 38 39 A S H 3< S+ 0 0 11 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.691 123.6 27.9 -71.3 -22.9 28.6 26.1 1.4 39 40 A V H + 0 0 5 1,-0.1 4,-2.4 3,-0.1 5,-0.1 0.873 38.6 161.1 61.5 43.3 25.2 34.3 11.0 46 47 A V H > S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.880 73.8 53.1 -59.8 -39.1 26.8 35.2 14.3 47 48 A R H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.956 110.1 45.6 -69.2 -46.8 29.7 37.0 12.6 48 49 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.934 111.2 55.5 -53.8 -43.9 27.4 39.2 10.5 49 50 A L H X S+ 0 0 3 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.932 108.5 47.7 -54.0 -47.7 25.4 39.9 13.7 50 51 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.888 112.2 48.9 -61.0 -43.3 28.6 41.1 15.4 51 52 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.948 114.8 43.7 -63.6 -48.0 29.5 43.3 12.4 52 53 A Y H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.914 115.1 49.8 -63.2 -41.2 26.1 44.9 12.2 53 54 A A H X S+ 0 0 1 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.896 110.5 48.6 -68.6 -39.6 25.9 45.3 16.0 54 55 A A H X S+ 0 0 0 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.907 111.9 50.8 -64.7 -41.9 29.3 46.9 16.2 55 56 A C H ><>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 3,-0.7 0.944 114.0 43.3 -59.4 -50.1 28.3 49.3 13.4 56 57 A E H ><5S+ 0 0 58 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.845 104.8 63.9 -67.5 -32.6 25.1 50.3 15.1 57 58 A A H 3<5S+ 0 0 7 -4,-2.5 209,-0.3 1,-0.3 -1,-0.2 0.821 106.8 45.0 -59.6 -30.1 26.8 50.6 18.5 58 59 A L T <<5S- 0 0 17 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.349 129.3 -97.0 -96.7 5.2 28.8 53.4 17.0 59 60 A G T < 5S+ 0 0 43 -3,-1.7 -3,-0.2 1,-0.3 2,-0.1 0.541 77.2 138.4 94.6 9.6 25.8 55.0 15.4 60 61 A G < - 0 0 6 -5,-2.6 -1,-0.3 -6,-0.2 136,-0.1 -0.468 60.9-108.1 -79.8 155.3 26.1 53.6 11.9 61 62 A K > - 0 0 131 -2,-0.1 3,-1.6 1,-0.1 4,-0.4 -0.671 34.3-122.0 -72.5 138.8 23.2 52.3 9.8 62 63 A P G > S+ 0 0 14 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.837 108.1 64.0 -59.8 -34.5 23.5 48.6 9.7 63 64 A E G > S+ 0 0 108 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.736 86.3 73.6 -64.0 -20.2 23.7 48.4 5.9 64 65 A Q G < S+ 0 0 53 -3,-1.6 3,-0.3 1,-0.3 -1,-0.3 0.789 98.3 50.2 -55.0 -29.1 27.0 50.4 6.1 65 66 A A G <> S+ 0 0 0 -3,-2.0 4,-3.1 -4,-0.4 -1,-0.3 0.192 75.6 107.8 -97.5 15.7 28.4 47.1 7.4 66 67 A N H <> S+ 0 0 24 -3,-2.0 4,-2.9 63,-0.4 5,-0.2 0.919 82.2 47.6 -59.6 -43.7 27.1 44.9 4.6 67 68 A G H > S+ 0 0 0 62,-2.0 4,-2.6 -3,-0.3 -1,-0.2 0.932 114.3 47.0 -63.1 -45.7 30.6 44.4 3.1 68 69 A A H > S+ 0 0 0 61,-0.3 4,-2.4 -4,-0.2 5,-0.2 0.936 114.2 47.7 -57.0 -50.5 32.0 43.6 6.5 69 70 A A H X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.920 113.8 45.7 -60.4 -48.1 29.2 41.2 7.3 70 71 A C H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.934 112.1 53.0 -59.9 -45.5 29.5 39.4 4.0 71 72 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.920 110.4 44.7 -59.8 -47.2 33.3 39.2 4.2 72 73 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.881 114.6 49.2 -69.9 -34.2 33.4 37.6 7.6 73 74 A E H X S+ 0 0 9 -4,-2.0 4,-3.0 -5,-0.2 -1,-0.2 0.879 110.8 50.3 -68.6 -38.6 30.6 35.1 6.7 74 75 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.905 112.0 47.2 -66.0 -40.6 32.4 34.2 3.5 75 76 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.941 113.5 49.2 -64.1 -44.7 35.7 33.6 5.3 76 77 A H H X S+ 0 0 28 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.965 112.1 47.9 -57.6 -50.9 33.8 31.6 8.0 77 78 A A H X S+ 0 0 4 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.907 110.7 50.3 -59.3 -44.1 32.1 29.5 5.3 78 79 A Y H X S+ 0 0 15 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.924 107.3 55.3 -61.9 -40.8 35.3 28.8 3.3 79 80 A S H X S+ 0 0 11 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.889 108.6 47.5 -61.4 -37.9 37.0 27.7 6.5 80 81 A L H X S+ 0 0 27 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.879 107.0 56.4 -71.5 -38.1 34.3 25.1 7.2 81 82 A V H < S+ 0 0 6 -4,-2.0 4,-0.5 1,-0.2 20,-0.2 0.940 114.5 39.4 -58.9 -46.0 34.4 23.7 3.7 82 83 A H H >< S+ 0 0 35 -4,-2.2 3,-1.2 1,-0.2 6,-0.2 0.909 112.4 56.4 -69.5 -39.7 38.1 23.0 4.0 83 84 A D H 3< S+ 0 0 21 -4,-2.4 6,-2.9 -5,-0.3 7,-0.4 0.834 102.8 55.9 -60.9 -34.7 37.8 21.8 7.6 84 85 A D T 3< S+ 0 0 4 -4,-2.2 7,-2.3 5,-0.2 -1,-0.3 0.681 83.0 114.1 -72.8 -16.3 35.2 19.2 6.6 85 86 A L S X >S- 0 0 16 -3,-1.2 5,-2.4 -4,-0.5 3,-1.8 -0.155 80.9-114.1 -58.1 147.8 37.5 17.6 4.0 86 87 A P T 3 5S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.847 117.9 56.9 -49.2 -36.9 38.8 14.0 4.6 87 88 A A T 3 5S+ 0 0 95 -5,-0.1 -2,-0.1 2,-0.1 -4,-0.1 0.705 120.6 27.9 -69.1 -20.8 42.4 15.4 5.0 88 89 A X T < 5S- 0 0 70 -3,-1.8 -4,-0.2 -6,-0.2 -5,-0.1 0.570 141.3 -19.5-104.0-109.0 41.2 17.7 7.8 89 90 A D T 5S- 0 0 79 -6,-2.9 -5,-0.2 -7,-0.2 -4,-0.1 0.717 76.0-141.8 -76.8 -25.1 38.2 16.8 10.0 90 91 A D < + 0 0 91 -5,-2.4 2,-0.5 -7,-0.4 -5,-0.2 0.983 34.9 169.1 57.6 63.7 36.7 14.3 7.6 91 92 A D - 0 0 59 -7,-2.3 -1,-0.2 1,-0.1 11,-0.2 -0.933 30.1-173.1-110.9 130.3 33.0 15.1 8.1 92 93 A D S S+ 0 0 78 -2,-0.5 7,-1.7 6,-0.1 2,-0.3 0.641 76.9 41.2 -87.6 -19.1 30.3 13.8 5.9 93 94 A L E -A 98 0A 102 5,-0.3 2,-0.3 -9,-0.0 -1,-0.1 -0.938 55.8-172.4-130.4 150.5 27.6 16.0 7.6 94 95 A R E > S-A 97 0A 42 3,-2.5 3,-1.8 -2,-0.3 -10,-0.0 -0.936 84.2 -14.3-141.4 122.5 27.4 19.5 8.9 95 96 A R T 3 S- 0 0 168 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 0.858 130.7 -54.0 50.8 40.5 24.3 20.6 10.9 96 97 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 0, 0.0 3,-0.0 0.213 119.9 97.4 85.1 -14.3 22.6 17.4 9.6 97 98 A Q E < S-A 94 0A 69 -3,-1.8 -3,-2.5 1,-0.1 -1,-0.2 -0.755 85.1 -85.4-109.2 155.8 23.1 17.9 5.9 98 99 A P E -A 93 0A 60 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 -0.260 48.0-116.6 -58.4 139.7 25.9 16.6 3.6 99 100 A T >> - 0 0 4 -7,-1.7 4,-2.5 -8,-0.1 3,-0.8 -0.223 32.3 -97.7 -69.2 166.9 29.1 18.6 3.5 100 101 A T H 3> S+ 0 0 9 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.885 123.1 51.0 -59.4 -40.8 30.2 20.3 0.4 101 102 A H H 34 S+ 0 0 13 -20,-0.2 -1,-0.3 1,-0.2 5,-0.1 0.788 112.8 48.3 -69.9 -22.7 32.7 17.6 -0.7 102 103 A K H <4 S+ 0 0 112 -3,-0.8 -2,-0.2 -11,-0.2 -1,-0.2 0.877 114.5 43.3 -80.3 -41.1 30.0 15.0 -0.2 103 104 A A H < S+ 0 0 48 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.781 139.7 6.1 -73.4 -29.2 27.3 16.9 -2.2 104 105 A F S < S- 0 0 30 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.398 108.4 -84.8-114.3-107.5 29.8 17.8 -4.9 105 106 A D > - 0 0 66 -5,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.935 35.8 -93.1-157.5 178.2 33.3 16.2 -4.7 106 107 A E H > S+ 0 0 95 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.909 121.6 50.3 -66.7 -42.4 36.6 17.0 -3.0 107 108 A A H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.935 111.9 48.6 -60.9 -43.9 38.1 19.0 -5.8 108 109 A C H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.883 111.7 49.5 -64.0 -39.7 35.0 21.1 -6.1 109 110 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.905 109.0 52.1 -66.7 -41.2 35.0 21.7 -2.3 110 111 A I H X S+ 0 0 69 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.959 115.3 42.0 -58.3 -50.8 38.6 22.7 -2.3 111 112 A L H X S+ 0 0 100 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.850 110.3 56.2 -65.4 -39.5 37.9 25.2 -5.1 112 113 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.936 110.4 46.0 -59.1 -44.6 34.7 26.5 -3.6 113 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.921 113.1 49.4 -63.0 -42.9 36.6 27.3 -0.4 114 115 A D H X S+ 0 0 75 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.918 113.2 46.8 -62.3 -42.9 39.4 29.0 -2.4 115 116 A G H X S+ 0 0 20 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.869 107.8 56.5 -67.3 -38.9 36.8 31.0 -4.3 116 117 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.878 104.5 52.7 -60.9 -40.8 34.9 32.0 -1.2 117 118 A Q H X S+ 0 0 62 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.949 111.5 45.6 -60.8 -46.6 38.1 33.5 0.3 118 119 A S H X S+ 0 0 81 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.914 111.5 53.3 -61.7 -42.6 38.7 35.7 -2.8 119 120 A L H X S+ 0 0 28 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.823 100.2 61.7 -61.7 -32.6 35.0 36.6 -2.8 120 121 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.936 107.3 44.3 -61.8 -44.2 35.3 37.8 0.9 121 122 A F H X S+ 0 0 49 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.926 112.3 52.0 -65.5 -42.9 37.8 40.4 -0.2 122 123 A S H X S+ 0 0 72 -4,-2.1 4,-0.6 1,-0.2 3,-0.4 0.902 109.6 50.3 -56.2 -42.0 35.7 41.4 -3.2 123 124 A A H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.886 104.6 57.6 -66.6 -39.1 32.7 41.9 -0.9 124 125 A L H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.826 115.9 35.2 -58.2 -35.7 34.6 44.0 1.5 125 126 A L H 3< S+ 0 0 77 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.346 84.9 122.6-105.0 2.2 35.5 46.5 -1.3 126 127 A D X< - 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0 0 47 -69,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.903 360.0-114.1-132.3 160.4 39.1 20.9 27.7 238 250 A Y H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.4 0.910 116.5 50.7 -64.0 -42.2 38.3 23.7 30.1 239 251 A P H > S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.882 110.4 49.9 -63.4 -35.0 36.5 21.4 32.5 240 252 A A H 4 S+ 0 0 82 1,-0.2 -2,-0.2 2,-0.2 4,-0.1 0.896 118.8 38.0 -67.9 -39.9 39.4 18.9 32.5 241 253 A L H < S+ 0 0 62 -4,-2.0 -1,-0.2 1,-0.1 -3,-0.2 0.828 133.8 22.5 -78.2 -35.4 42.0 21.6 33.2 242 254 A L H < S- 0 0 52 -4,-2.7 4,-0.3 -5,-0.2 -2,-0.2 0.658 108.0-107.9-105.9 -20.4 39.9 23.7 35.6 243 255 A G X - 0 0 36 -4,-2.3 4,-2.4 -5,-0.4 5,-0.2 0.072 37.2 -90.6 86.5 145.5 37.3 21.3 37.0 244 256 A L H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.879 125.6 52.3 -57.9 -44.3 33.7 21.7 35.9 245 257 A A H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.929 113.5 43.5 -58.7 -48.6 32.7 24.1 38.8 246 258 A A H > S+ 0 0 45 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.850 111.1 54.8 -66.3 -38.1 35.7 26.4 38.0 247 259 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.907 107.9 50.3 -61.2 -42.6 35.0 26.2 34.2 248 260 A K H X S+ 0 0 82 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.921 110.6 48.7 -60.4 -45.9 31.4 27.3 34.9 249 261 A E H X S+ 0 0 130 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.899 110.0 53.5 -59.4 -42.9 32.7 30.3 36.9 250 262 A Y H X S+ 0 0 30 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.886 104.3 53.4 -60.9 -42.9 35.1 31.1 34.1 251 263 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.925 111.9 46.0 -60.3 -42.5 32.4 31.2 31.4 252 264 A L H X S+ 0 0 59 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.888 110.7 53.4 -64.6 -39.9 30.5 33.7 33.6 253 265 A E H X S+ 0 0 97 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.893 108.8 49.3 -59.1 -44.4 33.7 35.7 34.2 254 266 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.916 109.5 51.0 -66.3 -43.5 34.2 35.9 30.4 255 267 A R H X S+ 0 0 63 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.940 111.5 49.0 -53.8 -48.7 30.7 37.1 29.9 256 268 A D H X S+ 0 0 77 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.874 108.5 52.8 -63.7 -36.9 31.2 39.7 32.6 257 269 A Q H X S+ 0 0 80 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.901 110.6 48.2 -62.1 -42.4 34.5 40.8 30.9 258 270 A A H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.927 113.1 46.7 -65.2 -44.1 32.7 41.3 27.6 259 271 A L H >< S+ 0 0 32 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.909 111.4 52.0 -63.7 -41.3 29.9 43.3 29.3 260 272 A H H >< S+ 0 0 114 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.881 102.9 58.8 -62.9 -39.0 32.4 45.4 31.2 261 273 A A H 3< S+ 0 0 14 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.784 102.0 56.5 -60.6 -27.4 34.3 46.2 27.9 262 274 A L T X< S+ 0 0 0 -4,-0.9 3,-2.2 -3,-0.7 -1,-0.3 0.378 72.8 105.5 -88.8 4.2 31.0 47.7 26.5 263 275 A R T < S+ 0 0 169 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.784 72.1 61.6 -56.0 -31.0 30.6 50.2 29.4 264 276 A P T 3 S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.519 95.4 81.2 -72.5 -2.8 31.7 53.1 27.1 265 277 A F S < S- 0 0 14 -3,-2.2 -207,-0.1 1,-0.1 -208,-0.0 -0.793 70.9-138.1-108.2 147.1 28.7 52.5 24.8 266 278 A D > - 0 0 113 -209,-0.3 3,-2.0 -2,-0.3 -1,-0.1 0.080 53.3 -61.6 -81.6-160.6 25.1 53.5 25.2 267 279 A A G > S+ 0 0 80 1,-0.3 3,-2.1 2,-0.2 -210,-0.1 0.674 122.5 77.8 -61.4 -20.5 21.9 51.5 24.6 268 280 A A G 3 S+ 0 0 42 1,-0.3 -1,-0.3 -211,-0.2 4,-0.1 0.723 88.9 59.5 -64.8 -15.7 22.8 51.1 20.9 269 281 A A G X> S+ 0 0 0 -3,-2.0 4,-1.7 -212,-0.2 3,-0.8 0.321 71.5 108.8 -91.5 6.5 25.2 48.4 22.1 270 282 A E H <> S+ 0 0 65 -3,-2.1 4,-3.0 1,-0.2 5,-0.2 0.865 71.2 57.8 -54.9 -41.4 22.4 46.3 23.6 271 283 A P H 3> S+ 0 0 19 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.887 106.6 49.7 -59.5 -34.5 22.6 43.6 20.9 272 284 A L H <> S+ 0 0 0 -3,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.883 112.2 48.0 -67.6 -36.5 26.3 43.0 21.8 273 285 A R H X S+ 0 0 38 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.927 111.0 50.8 -66.9 -43.7 25.4 42.8 25.5 274 286 A E H X S+ 0 0 44 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.887 107.8 52.7 -62.3 -40.7 22.6 40.4 24.7 275 287 A L H X S+ 0 0 5 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.918 107.8 51.0 -61.3 -43.6 24.9 38.2 22.7 276 288 A A H X S+ 0 0 1 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.923 113.9 44.5 -60.4 -42.8 27.4 38.0 25.6 277 289 A R H >X S+ 0 0 76 -4,-2.1 3,-0.9 1,-0.2 4,-0.6 0.915 109.0 58.5 -65.6 -42.5 24.6 37.0 28.0 278 290 A Y H >< S+ 0 0 129 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.846 92.4 67.5 -54.2 -42.2 23.2 34.5 25.4 279 291 A I H 3< S+ 0 0 12 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.857 110.3 34.1 -51.6 -40.0 26.4 32.5 25.2 280 292 A V H << 0 0 25 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.434 360.0 360.0 -99.1 0.1 26.0 31.3 28.8 281 293 A E << 0 0 171 -3,-1.3 -3,-0.0 -4,-0.6 -4,-0.0 -0.487 360.0 360.0 -77.7 360.0 22.2 31.0 29.0