==== 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 26-JAN-10 3LJI . COMPND 2 MOLECULE: GERANYLTRANSTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR V.N.MALASHKEVICH,R.TORO,Y.PATSKOVSKY,J.M.SAUDER,S.K.BURLEY,S . 272 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12660.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 76.8 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 59.2 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 2 2 1 0 1 1 1 0 2 1 0 0 0 0 0 1 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 . 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 0 115 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 131.5 16.4 38.3 23.9 2 3 A L > + 0 0 12 264,-0.1 4,-2.9 1,-0.1 5,-0.3 0.461 360.0 103.0 -93.0 -5.2 18.8 38.3 20.9 3 4 A T H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.861 80.8 42.4 -49.9 -52.1 16.0 36.8 18.7 4 5 A A H > S+ 0 0 73 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.904 116.3 48.1 -65.8 -41.0 15.0 39.9 16.8 5 6 A Y H > S+ 0 0 37 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.886 111.3 49.9 -70.5 -37.6 18.6 41.2 16.3 6 7 A Q H X S+ 0 0 33 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.930 111.9 49.5 -62.5 -43.3 19.8 37.8 15.0 7 8 A A H X S+ 0 0 51 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.921 112.7 45.6 -63.3 -46.7 16.8 37.7 12.6 8 9 A S H X S+ 0 0 62 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.873 114.9 48.3 -62.9 -39.8 17.5 41.2 11.2 9 10 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.934 112.3 47.6 -67.5 -45.5 21.2 40.5 10.9 10 11 A Q H X S+ 0 0 44 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.926 113.9 48.0 -62.0 -45.6 20.8 37.1 9.1 11 12 A A H X S+ 0 0 59 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.907 112.1 48.9 -61.9 -42.5 18.2 38.6 6.7 12 13 A R H X S+ 0 0 60 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.935 115.4 40.9 -68.1 -48.6 20.4 41.6 5.9 13 14 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.885 113.9 53.4 -70.1 -35.3 23.6 39.8 5.2 14 15 A D H X S+ 0 0 39 -4,-2.3 4,-0.9 -5,-0.3 -1,-0.2 0.905 111.4 46.1 -64.9 -39.8 21.8 37.0 3.3 15 16 A A H X S+ 0 0 72 -4,-2.1 4,-0.5 -5,-0.2 3,-0.5 0.919 113.1 49.9 -67.4 -43.0 20.1 39.5 1.0 16 17 A A H < S+ 0 0 13 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.850 110.9 49.3 -60.6 -38.1 23.4 41.4 0.5 17 18 A X H >X S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 4,-0.6 0.694 87.8 88.5 -75.5 -18.9 25.3 38.2 -0.4 18 19 A H H >< S+ 0 0 136 -4,-0.9 3,-1.4 -3,-0.5 -1,-0.2 0.881 87.8 46.8 -46.7 -52.8 22.6 37.1 -2.9 19 20 A T G >< S+ 0 0 104 -4,-0.5 3,-1.2 -3,-0.4 -1,-0.3 0.756 99.1 69.6 -64.0 -27.0 24.2 38.9 -5.8 20 21 A L G <4 S+ 0 0 27 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.664 93.4 59.5 -67.3 -15.2 27.7 37.7 -5.1 21 22 A F G << S+ 0 0 2 -3,-1.4 2,-0.6 -4,-0.6 -1,-0.2 0.177 71.7 106.9-108.5 18.8 26.7 34.1 -6.1 22 23 A T < - 0 0 103 -3,-1.2 7,-0.0 14,-0.0 -3,-0.0 -0.862 69.7-126.3 -95.7 124.0 25.6 34.4 -9.7 23 24 A A - 0 0 26 -2,-0.6 6,-0.1 1,-0.1 -2,-0.1 -0.409 5.8-136.5 -67.7 139.0 28.2 33.0 -12.2 24 25 A P S S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.634 88.0 14.8 -72.7 -7.2 29.3 35.3 -14.9 25 26 A S S > S- 0 0 35 1,-0.1 3,-1.4 0, 0.0 4,-0.3 -0.988 79.0-110.1-157.6 156.5 29.0 32.4 -17.4 26 27 A P G > S+ 0 0 116 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.839 114.7 64.4 -58.3 -33.7 27.5 28.9 -17.6 27 28 A E G 3 S+ 0 0 163 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.754 105.9 45.1 -59.6 -26.1 31.0 27.4 -17.5 28 29 A L G <> S+ 0 0 67 -3,-1.4 4,-2.2 1,-0.2 -1,-0.3 0.352 83.4 102.1 -99.4 3.5 31.4 28.7 -14.0 29 30 A A H <> S+ 0 0 47 -3,-1.6 4,-2.6 -4,-0.3 5,-0.2 0.889 78.4 50.5 -59.4 -44.5 27.9 27.7 -12.8 30 31 A R H > S+ 0 0 118 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.908 110.3 50.2 -63.4 -42.4 29.0 24.6 -10.8 31 32 A L H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 113.3 45.5 -60.4 -46.9 31.7 26.6 -8.9 32 33 A Y H X S+ 0 0 45 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.866 111.4 53.0 -65.7 -36.2 29.3 29.3 -8.0 33 34 A E H X S+ 0 0 95 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.910 108.9 49.7 -63.8 -42.8 26.7 26.7 -7.0 34 35 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.878 111.5 48.6 -64.7 -39.2 29.2 25.0 -4.7 35 36 A X H X S+ 0 0 4 -4,-2.1 4,-0.9 2,-0.2 5,-0.2 0.943 112.4 48.5 -63.7 -44.7 30.1 28.4 -3.1 36 37 A R H >X S+ 0 0 99 -4,-2.7 4,-3.5 1,-0.2 3,-0.8 0.898 109.3 53.0 -56.9 -45.0 26.4 29.1 -2.6 37 38 A Y H 3< S+ 0 0 56 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.874 108.2 51.8 -59.3 -36.5 25.9 25.7 -1.1 38 39 A S H 3< S+ 0 0 10 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.643 122.6 28.1 -75.4 -20.5 28.7 26.4 1.4 39 40 A V H << S+ 0 0 0 -4,-0.9 2,-1.8 -3,-0.8 4,-0.5 0.762 110.5 62.9-107.2 -44.2 27.2 29.8 2.5 40 41 A X < + 0 0 69 -4,-3.5 -1,-0.1 -5,-0.2 -2,-0.1 -0.463 67.3 117.5 -87.2 66.2 23.5 29.5 2.1 41 42 A N S S- 0 0 33 -2,-1.8 -1,-0.2 -3,-0.2 56,-0.1 0.162 95.7 -88.3-117.8 14.9 23.0 26.7 4.6 42 43 A G + 0 0 49 -3,-0.2 -2,-0.1 1,-0.2 -3,-0.0 0.575 67.4 175.9 85.7 11.7 20.8 28.3 7.2 43 44 A G - 0 0 4 -4,-0.5 -1,-0.2 1,-0.1 -4,-0.0 -0.091 37.6-127.6 -53.3 148.0 23.8 29.7 9.2 44 45 A K - 0 0 123 1,-0.0 -34,-0.1 4,-0.0 -1,-0.1 0.604 29.3-140.7 -75.7 -17.5 23.2 31.9 12.2 45 46 A R > + 0 0 6 1,-0.1 4,-2.6 3,-0.1 5,-0.1 0.875 39.0 161.1 62.1 43.7 25.5 34.7 10.9 46 47 A V H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.881 74.1 53.6 -61.2 -39.2 27.0 35.6 14.3 47 48 A R H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.961 110.3 45.0 -67.4 -46.0 29.9 37.3 12.6 48 49 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.920 111.1 56.3 -54.2 -43.4 27.6 39.5 10.4 49 50 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.922 107.9 47.7 -55.6 -46.3 25.6 40.2 13.6 50 51 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.907 111.6 49.2 -62.8 -42.8 28.8 41.4 15.3 51 52 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.950 114.7 44.8 -63.1 -46.8 29.7 43.7 12.4 52 53 A Y H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.918 114.6 48.9 -62.0 -44.2 26.2 45.2 12.2 53 54 A A H X S+ 0 0 1 -4,-2.8 4,-2.0 -5,-0.3 211,-0.2 0.880 111.5 48.8 -65.4 -38.7 26.1 45.7 16.0 54 55 A A H X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.911 111.6 50.1 -66.9 -41.4 29.5 47.3 16.2 55 56 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 3,-0.6 0.939 114.1 44.5 -60.8 -49.7 28.6 49.7 13.3 56 57 A E H ><5S+ 0 0 55 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.820 103.8 64.3 -65.8 -30.0 25.3 50.6 15.1 57 58 A A H 3<5S+ 0 0 7 -4,-2.0 201,-0.3 1,-0.3 -1,-0.2 0.843 106.6 44.6 -63.0 -30.3 27.1 51.0 18.5 58 59 A L T <<5S- 0 0 16 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.241 129.1 -95.2 -98.8 11.6 29.0 53.9 17.0 59 60 A G T < 5S+ 0 0 48 -3,-1.6 -3,-0.2 1,-0.3 2,-0.1 0.483 78.5 137.6 94.2 2.9 26.0 55.5 15.3 60 61 A G < - 0 0 7 -5,-2.4 -1,-0.3 -6,-0.2 136,-0.1 -0.438 60.5-108.8 -78.4 155.2 26.3 54.0 11.8 61 62 A K > - 0 0 131 -2,-0.1 3,-1.5 1,-0.1 4,-0.4 -0.627 33.1-121.5 -76.6 141.7 23.4 52.6 9.8 62 63 A P G > S+ 0 0 14 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.859 109.2 61.3 -60.0 -35.2 23.7 48.9 9.7 63 64 A E G > S+ 0 0 101 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.720 88.5 74.2 -66.8 -17.0 23.8 48.6 5.9 64 65 A Q G < S+ 0 0 60 -3,-1.5 67,-0.4 1,-0.3 3,-0.3 0.770 98.3 49.5 -57.5 -29.4 27.0 50.7 6.1 65 66 A A G <> S+ 0 0 0 -3,-2.0 4,-3.1 -4,-0.4 -1,-0.3 0.230 76.6 107.1 -95.4 12.1 28.6 47.5 7.4 66 67 A N H <> S+ 0 0 21 -3,-2.0 4,-2.8 63,-0.3 5,-0.3 0.910 81.3 49.5 -58.9 -43.6 27.2 45.2 4.6 67 68 A G H > S+ 0 0 0 62,-1.7 4,-2.4 -3,-0.3 -1,-0.2 0.935 113.8 45.9 -59.2 -48.8 30.7 44.9 3.1 68 69 A A H > S+ 0 0 0 -4,-0.2 4,-2.4 61,-0.2 5,-0.2 0.920 114.1 48.7 -56.6 -49.2 32.2 44.0 6.5 69 70 A A H X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.919 113.2 45.5 -62.1 -46.8 29.4 41.5 7.3 70 71 A C H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.928 112.5 52.9 -61.9 -44.3 29.6 39.7 3.9 71 72 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.922 110.7 44.1 -60.5 -49.9 33.4 39.6 4.1 72 73 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.884 114.9 49.4 -67.3 -34.5 33.6 38.0 7.6 73 74 A E H X S+ 0 0 8 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.885 110.6 50.3 -67.1 -38.1 30.8 35.5 6.7 74 75 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.900 111.5 47.8 -68.2 -40.3 32.6 34.5 3.5 75 76 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.952 113.4 48.8 -62.3 -46.4 35.9 34.0 5.3 76 77 A H H X S+ 0 0 32 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.934 111.7 48.8 -57.4 -46.6 34.0 31.9 7.9 77 78 A A H X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.895 110.2 50.8 -64.3 -40.2 32.3 29.8 5.3 78 79 A Y H X S+ 0 0 13 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.930 106.8 55.1 -63.9 -40.8 35.5 29.1 3.4 79 80 A S H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.874 108.6 48.2 -61.7 -35.8 37.2 28.0 6.5 80 81 A L H X S+ 0 0 26 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.904 107.2 54.8 -72.1 -40.3 34.5 25.4 7.2 81 82 A V H < S+ 0 0 6 -4,-2.0 4,-0.5 1,-0.2 -2,-0.2 0.927 115.2 40.0 -57.1 -45.5 34.5 24.1 3.6 82 83 A H H >< S+ 0 0 33 -4,-2.3 3,-1.2 1,-0.2 7,-0.2 0.916 111.2 57.2 -72.0 -39.8 38.3 23.4 4.0 83 84 A D H 3< S+ 0 0 19 -4,-2.7 6,-2.7 -5,-0.2 7,-0.5 0.839 103.3 56.4 -54.6 -37.9 38.0 22.2 7.6 84 85 A D T 3< S+ 0 0 4 -4,-2.3 7,-2.4 5,-0.2 -1,-0.2 0.663 82.6 114.9 -70.9 -18.8 35.5 19.5 6.4 85 86 A L S X >S- 0 0 17 -3,-1.2 5,-2.4 -4,-0.5 3,-1.4 -0.123 79.4-113.0 -55.4 150.9 37.9 18.0 3.8 86 87 A P T 3 5S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.803 118.3 52.3 -53.4 -35.2 39.2 14.4 4.2 87 88 A A T 3 5S+ 0 0 98 2,-0.0 -2,-0.1 3,-0.0 -4,-0.1 0.675 120.1 34.0 -76.0 -18.1 42.7 15.6 4.8 88 89 A X T < 5S- 0 0 65 -3,-1.4 -4,-0.2 -6,-0.2 -5,-0.1 0.595 139.4 -24.2-102.0-110.2 41.5 18.0 7.5 89 90 A D T 5S- 0 0 89 -6,-2.7 -5,-0.2 -7,-0.2 -4,-0.1 0.745 77.6-141.0 -79.3 -26.6 38.6 17.1 9.9 90 91 A D < + 0 0 91 -5,-2.4 2,-0.5 -7,-0.5 -5,-0.2 0.996 32.5 171.3 63.3 65.9 37.1 14.7 7.4 91 92 A D - 0 0 54 -7,-2.4 -1,-0.2 1,-0.1 11,-0.2 -0.946 27.4-172.8-109.5 126.9 33.4 15.3 7.9 92 93 A D S S+ 0 0 90 -2,-0.5 7,-1.6 6,-0.1 2,-0.3 0.657 78.0 39.2 -81.3 -19.1 30.8 13.8 5.5 93 94 A L E -A 98 0A 104 5,-0.3 2,-0.3 -9,-0.0 -1,-0.1 -0.948 55.0-179.6-136.0 150.1 28.0 15.9 7.2 94 95 A R E > S-A 97 0A 61 3,-2.8 3,-1.4 -2,-0.3 -10,-0.0 -0.928 82.4 -5.7-143.3 118.8 27.5 19.4 8.6 95 96 A R T 3 S- 0 0 143 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 0.773 127.8 -62.6 73.2 9.7 24.3 20.6 10.1 96 97 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 0, 0.0 3,-0.1 0.114 120.5 96.1 95.9 -15.7 22.8 17.3 9.1 97 98 A Q E < S-A 94 0A 74 -3,-1.4 -3,-2.8 1,-0.1 -1,-0.3 -0.684 88.2 -82.5-100.0 156.3 23.3 17.9 5.4 98 99 A P E -A 93 0A 60 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.221 46.9-114.5 -55.5 142.5 26.2 16.7 3.2 99 100 A T >> - 0 0 3 -7,-1.6 4,-2.6 -8,-0.1 3,-0.6 -0.264 35.0 -97.9 -69.7 166.0 29.4 18.8 3.3 100 101 A T H 3> S+ 0 0 8 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.880 122.8 50.7 -61.4 -39.0 30.5 20.5 0.2 101 102 A H H 34 S+ 0 0 10 1,-0.2 -1,-0.3 -20,-0.2 5,-0.2 0.790 113.7 47.2 -72.5 -20.3 33.0 17.9 -0.9 102 103 A K H <4 S+ 0 0 118 -3,-0.6 -2,-0.2 -11,-0.2 -1,-0.2 0.847 114.4 44.5 -83.5 -38.3 30.4 15.2 -0.4 103 104 A A H < S+ 0 0 47 -4,-2.6 -2,-0.2 2,-0.1 -3,-0.2 0.816 139.5 5.4 -74.5 -28.9 27.6 17.1 -2.3 104 105 A F S < S- 0 0 32 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.507 109.9 -82.4-114.4 -98.7 30.0 18.0 -5.1 105 106 A D > - 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0 0 20 -6,-0.4 2,-0.1 -5,-0.3 -5,-0.0 -0.438 32.5-166.5 -72.8 114.1 35.4 55.0 15.0 200 201 A E > - 0 0 133 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.447 34.0-103.9 -90.8 167.9 37.8 56.6 17.4 201 202 A K H > S+ 0 0 187 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.909 118.7 45.7 -56.8 -49.0 40.9 55.2 19.1 202 203 A G H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.871 111.7 51.2 -66.4 -40.4 39.3 54.6 22.5 203 204 A E H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 110.4 49.2 -63.7 -44.7 36.1 53.1 21.1 204 205 A L H X S+ 0 0 16 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.829 109.2 52.9 -63.3 -37.1 38.1 50.6 19.0 205 206 A K H X S+ 0 0 104 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.944 111.1 45.6 -63.5 -49.6 40.2 49.6 22.0 206 207 A A H X S+ 0 0 17 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.877 112.2 51.9 -60.0 -41.4 37.1 48.9 24.2 207 208 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.839 107.7 52.6 -66.4 -34.0 35.5 47.0 21.3 208 209 A Q H X S+ 0 0 67 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.921 109.2 49.1 -61.7 -45.4 38.7 44.9 21.0 209 210 A T H X S+ 0 0 71 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.922 113.7 47.2 -61.0 -46.0 38.5 44.1 24.7 210 211 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.940 111.8 50.4 -56.0 -51.8 34.8 43.1 24.2 211 212 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.855 108.7 49.8 -63.6 -37.1 35.6 41.0 21.1 212 213 A Q H X S+ 0 0 24 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.917 111.2 50.3 -71.0 -34.6 38.3 39.0 22.7 213 214 A A H X S+ 0 0 5 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.908 112.8 44.4 -68.2 -44.6 36.2 38.2 25.8 214 215 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.883 108.6 59.7 -68.8 -32.9 33.2 37.0 23.7 215 216 A G H X S+ 0 0 1 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.934 113.1 36.9 -56.9 -48.7 35.6 35.0 21.4 216 217 A L H X S+ 0 0 10 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.907 111.6 59.8 -70.4 -41.4 36.8 33.0 24.4 217 218 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.898 102.2 54.4 -54.3 -44.0 33.4 32.8 26.1 218 219 A F H X S+ 0 0 35 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.913 112.4 43.4 -53.2 -46.7 32.0 31.1 23.0 219 220 A Q H X S+ 0 0 34 -4,-1.1 4,-2.3 -3,-0.2 -2,-0.2 0.919 113.2 49.2 -69.3 -47.8 34.7 28.4 23.2 220 221 A V H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.907 115.6 45.5 -56.9 -43.3 34.5 27.9 27.0 221 222 A Q H X S+ 0 0 24 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.859 107.4 56.8 -73.1 -35.7 30.7 27.6 26.7 222 223 A D H X S+ 0 0 73 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.948 108.7 48.3 -53.1 -49.8 30.9 25.2 23.7 223 224 A D H < S+ 0 0 22 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.823 110.3 51.7 -59.7 -37.6 33.0 22.9 25.9 224 225 A I H < S+ 0 0 28 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.907 109.4 48.2 -67.1 -44.1 30.5 23.1 28.7 225 226 A L H < 0 0 127 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.786 360.0 360.0 -67.0 -30.9 27.5 22.2 26.4 226 227 A D < 0 0 167 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.946 360.0 360.0 -75.8 360.0 29.7 19.3 25.1 227 ! 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 0.0 228 248 A P 0 0 103 0, 0.0 2,-0.3 0, 0.0 -59,-0.1 0.000 360.0 360.0 360.0 126.0 41.8 19.3 25.5 229 249 A T > - 0 0 56 1,-0.1 4,-1.9 -6,-0.0 5,-0.2 -0.864 360.0-113.5-134.2 166.4 38.8 21.2 26.9 230 250 A Y H >>S+ 0 0 0 -2,-0.3 4,-2.7 2,-0.2 5,-0.6 0.872 115.1 52.5 -70.1 -39.4 38.0 23.9 29.6 231 251 A P H >5S+ 0 0 24 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.857 112.1 47.6 -64.0 -32.5 35.9 21.5 31.8 232 252 A A H 45S+ 0 0 81 2,-0.2 -2,-0.2 3,-0.2 4,-0.1 0.896 118.5 38.9 -72.0 -42.6 38.8 19.0 31.8 233 253 A L H <5S+ 0 0 73 -4,-1.9 -3,-0.2 1,-0.1 -1,-0.1 0.861 133.8 20.8 -75.5 -38.0 41.5 21.6 32.6 234 254 A L H <5S- 0 0 57 -4,-2.7 4,-0.2 -5,-0.2 -2,-0.2 0.739 108.9-105.2-102.7 -28.7 39.5 23.7 35.1 235 255 A G X< - 0 0 32 -4,-1.3 4,-2.7 -5,-0.6 5,-0.2 0.034 35.6 -91.2 97.5 140.9 36.7 21.4 36.3 236 256 A L H > S+ 0 0 97 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.896 127.4 50.4 -50.2 -48.4 33.1 21.9 35.2 237 257 A A H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 113.6 44.3 -58.1 -47.9 32.3 24.2 38.1 238 258 A A H > S+ 0 0 45 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.849 113.0 51.7 -67.5 -36.6 35.3 26.4 37.4 239 259 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.915 109.0 49.7 -65.9 -45.0 34.6 26.4 33.6 240 260 A K H X S+ 0 0 107 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.919 112.7 48.6 -56.6 -45.5 31.0 27.5 34.2 241 261 A E H X S+ 0 0 133 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.879 109.7 52.5 -57.9 -44.4 32.3 30.2 36.4 242 262 A Y H X S+ 0 0 45 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.876 104.5 55.0 -66.2 -40.6 34.9 31.2 33.8 243 263 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.923 110.3 46.3 -57.5 -46.8 32.2 31.5 31.1 244 264 A L H X S+ 0 0 64 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.866 110.6 53.5 -63.7 -38.1 30.3 34.0 33.3 245 265 A E H X S+ 0 0 96 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.915 108.5 49.0 -60.9 -45.6 33.5 35.9 34.0 246 266 A L H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.905 110.3 51.0 -64.0 -42.2 34.3 36.3 30.3 247 267 A R H X S+ 0 0 59 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.933 110.3 50.1 -57.6 -44.3 30.7 37.5 29.7 248 268 A D H X S+ 0 0 67 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.879 108.6 52.3 -65.7 -36.8 31.2 40.0 32.5 249 269 A Q H X S+ 0 0 85 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.933 109.8 49.1 -61.2 -46.2 34.5 41.2 31.0 250 270 A A H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.930 113.3 46.4 -59.2 -47.2 32.8 41.8 27.6 251 271 A L H >< S+ 0 0 33 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.902 109.4 54.3 -60.4 -43.9 29.9 43.7 29.3 252 272 A H H >< S+ 0 0 117 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.897 101.8 58.6 -61.2 -39.2 32.3 45.8 31.3 253 273 A A H 3< S+ 0 0 13 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.772 104.0 53.5 -59.1 -25.8 34.2 46.8 28.2 254 274 A L T X< S+ 0 0 0 -3,-0.9 3,-1.4 -4,-0.8 -1,-0.3 0.363 75.7 103.9 -94.2 4.9 30.9 48.3 26.8 255 275 A R T < S+ 0 0 171 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.823 75.3 57.5 -55.6 -35.4 30.3 50.5 29.9 256 276 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.739 95.8 85.6 -67.2 -19.8 31.4 53.7 28.1 257 277 A F S < S- 0 0 23 -3,-1.4 -199,-0.1 1,-0.1 -200,-0.0 -0.439 71.1-132.7 -87.4 154.1 28.7 53.1 25.4 258 278 A D > - 0 0 110 -201,-0.3 3,-1.7 -2,-0.1 -1,-0.1 0.079 50.6 -63.7 -85.5-159.0 25.1 54.2 25.3 259 279 A A G > S+ 0 0 77 1,-0.3 3,-1.9 2,-0.2 -2,-0.0 0.669 121.5 76.3 -64.8 -20.6 21.9 52.2 24.5 260 280 A A G 3 S+ 0 0 38 1,-0.3 -1,-0.3 -203,-0.2 4,-0.2 0.727 90.3 58.3 -65.8 -19.5 23.0 51.8 20.8 261 281 A A G X> S+ 0 0 0 -3,-1.7 4,-1.7 -204,-0.2 3,-0.5 0.330 73.2 105.4 -89.2 5.4 25.4 49.1 22.1 262 282 A E H <> S+ 0 0 76 -3,-1.9 4,-3.0 1,-0.2 5,-0.2 0.884 73.3 57.3 -56.2 -42.0 22.6 47.0 23.6 263 283 A P H 3> S+ 0 0 29 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.900 106.3 49.9 -58.0 -37.2 22.8 44.4 20.8 264 284 A L H <> S+ 0 0 0 -3,-0.5 4,-1.9 -211,-0.2 -2,-0.2 0.873 112.3 48.3 -64.1 -36.8 26.5 43.7 21.6 265 285 A R H X S+ 0 0 37 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.915 109.7 51.9 -68.8 -41.0 25.5 43.4 25.3 266 286 A E H X S+ 0 0 27 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.886 107.4 52.9 -64.1 -39.8 22.7 41.0 24.4 267 287 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.933 108.3 50.0 -60.8 -45.6 25.1 38.9 22.4 268 288 A A H X S+ 0 0 0 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.923 114.3 44.5 -59.1 -44.4 27.5 38.6 25.4 269 289 A R H >< S+ 0 0 64 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.904 108.3 59.2 -64.3 -40.8 24.6 37.5 27.7 270 290 A Y H >< S+ 0 0 108 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.843 91.7 69.1 -55.7 -38.9 23.2 35.2 25.0 271 291 A I H 3< S+ 0 0 13 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.861 108.6 33.4 -54.0 -42.6 26.5 33.1 24.9 272 292 A V T << 0 0 24 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.356 360.0 360.0 -99.7 3.2 26.0 31.7 28.4 273 293 A E < 0 0 159 -3,-1.5 -3,-0.0 -4,-0.4 -4,-0.0 -0.616 360.0 360.0 -82.2 360.0 22.2 31.4 28.5