==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-JAN-07 2E92 . COMPND 2 MOLECULE: GERANYLGERANYL PYROPHOSPHATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR R.T.GUO,T.P.KO,R.CAO,W.Y.JENG,C.K.-M.CHEN,T.H.CHANG, . 581 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 469 80.7 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 . 6 1.0 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 . 2 0.3 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 . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 385 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.2 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 4 1 1 0 0 2 1 2 6 1 1 0 2 1 1 0 0 0 0 1 3 1 0 0 0 2 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A N > 0 0 177 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -71.0 40.9 13.7 51.2 2 5 A K H > + 0 0 146 2,-0.2 4,-2.0 1,-0.1 5,-0.1 0.800 360.0 51.4 -72.5 -27.7 43.1 14.3 48.1 3 6 A M H > S+ 0 0 39 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.985 107.6 49.8 -70.6 -58.7 40.1 15.2 46.1 4 7 A E H > S+ 0 0 100 1,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.838 112.6 51.5 -47.6 -35.3 38.8 17.8 48.6 5 8 A A H X S+ 0 0 48 -4,-1.3 4,-2.2 2,-0.2 -1,-0.3 0.930 109.0 46.8 -69.2 -48.1 42.3 19.2 48.6 6 9 A K H X S+ 0 0 116 -4,-2.0 4,-1.8 -3,-0.3 -2,-0.2 0.923 114.4 48.6 -60.1 -45.5 42.5 19.5 44.8 7 10 A I H X S+ 0 0 5 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.815 110.0 52.9 -62.4 -33.5 39.1 21.1 44.7 8 11 A D H X S+ 0 0 85 -4,-1.6 4,-0.8 -5,-0.4 -1,-0.2 0.849 108.6 47.5 -73.7 -34.8 40.2 23.5 47.5 9 12 A E H < S+ 0 0 142 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.860 114.3 53.2 -71.9 -30.4 43.3 24.6 45.5 10 13 A L H >< S+ 0 0 27 -4,-1.8 3,-1.5 -5,-0.2 -2,-0.2 0.983 109.8 40.4 -65.7 -63.1 40.9 25.0 42.6 11 14 A I H 3< S+ 0 0 12 -4,-2.7 478,-0.2 1,-0.3 -1,-0.2 0.635 110.3 61.5 -65.8 -12.3 38.2 27.2 44.1 12 15 A N T 3< S+ 0 0 79 -4,-0.8 2,-0.3 -5,-0.2 -1,-0.3 0.171 100.4 62.7-102.1 19.7 40.7 29.4 45.9 13 16 A N S < S- 0 0 91 -3,-1.5 3,-0.1 473,-0.1 -4,-0.0 -0.887 91.7 -91.3-136.3 166.2 42.5 30.5 42.8 14 17 A D - 0 0 142 -2,-0.3 449,-0.1 1,-0.1 -2,-0.1 -0.376 66.2 -81.6 -68.5 155.5 41.8 32.5 39.7 15 18 A P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.372 47.4-112.2 -65.7 144.2 40.7 30.3 36.9 16 19 A V + 0 0 80 -3,-0.1 2,-0.3 -6,-0.0 447,-0.1 -0.571 43.0 168.8 -73.5 131.5 43.5 28.5 35.0 17 20 A W - 0 0 43 -2,-0.3 2,-0.2 -3,-0.0 419,-0.0 -0.952 17.1-153.1-145.8 123.4 43.9 29.8 31.4 18 21 A S > - 0 0 35 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.631 27.3-122.1-101.4 158.9 46.9 28.9 29.2 19 22 A S H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.790 119.2 56.2 -65.4 -27.3 48.5 30.7 26.3 20 23 A Q H > S+ 0 0 135 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 105.8 49.2 -68.6 -42.6 47.7 27.5 24.4 21 24 A N H > S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.892 110.5 52.6 -61.8 -39.0 44.0 27.9 25.3 22 25 A E H X S+ 0 0 38 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.920 109.8 46.9 -61.5 -48.9 44.2 31.5 24.1 23 26 A S H >< S+ 0 0 75 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.912 108.2 56.7 -60.9 -47.1 45.6 30.5 20.8 24 27 A L H >< S+ 0 0 40 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.856 112.0 40.1 -59.3 -36.6 43.1 27.8 20.3 25 28 A I H 3< S+ 0 0 4 -4,-1.8 -1,-0.3 1,-0.2 4,-0.2 0.564 103.5 67.7 -93.5 0.9 40.1 30.1 20.6 26 29 A S T S+ 0 0 71 -3,-0.6 4,-2.2 -4,-0.3 -1,-0.2 0.873 75.7 50.4 -54.8 -44.7 41.4 31.1 15.5 28 31 A P H > S+ 0 0 3 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.911 117.0 43.1 -63.5 -32.4 38.4 32.8 14.0 29 32 A Y H > S+ 0 0 20 -3,-0.3 4,-1.5 -4,-0.2 -2,-0.2 0.907 109.3 53.3 -77.3 -43.2 40.0 36.1 14.7 30 33 A N H < S+ 0 0 81 -4,-3.1 4,-0.4 1,-0.2 3,-0.3 0.912 106.8 58.3 -58.9 -35.2 43.4 35.3 13.6 31 34 A H H >< S+ 0 0 39 -4,-2.2 3,-1.4 -5,-0.3 -1,-0.2 0.942 106.0 44.9 -60.5 -48.0 41.8 34.2 10.3 32 35 A I H 3< S+ 0 0 29 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.719 94.6 77.9 -73.4 -15.3 40.2 37.6 9.6 33 36 A L T 3< 0 0 101 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.715 360.0 360.0 -62.7 -17.8 43.4 39.5 10.4 34 37 A L < 0 0 174 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.1 -0.073 360.0 360.0 -89.3 360.0 44.6 38.4 7.0 35 ! 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 36 42 A N > 0 0 151 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -32.9 46.0 50.4 7.1 37 43 A F H > + 0 0 180 2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.928 360.0 45.6 -72.4 -43.8 43.3 52.7 5.7 38 44 A R H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.853 116.7 49.0 -62.9 -31.5 41.3 52.6 9.0 39 45 A L H > S+ 0 0 72 2,-0.2 4,-1.5 1,-0.2 -2,-0.3 0.818 108.7 51.9 -74.6 -32.6 44.8 53.3 10.5 40 46 A N H X S+ 0 0 90 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.892 107.3 52.7 -71.2 -38.1 45.3 56.0 7.9 41 47 A L H X S+ 0 0 54 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.914 106.9 52.0 -62.3 -43.6 41.9 57.6 9.0 42 48 A I H X S+ 0 0 2 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.889 110.0 51.4 -60.3 -38.1 43.0 57.6 12.7 43 49 A V H X S+ 0 0 52 -4,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.933 109.1 46.6 -66.9 -47.6 46.2 59.4 11.7 44 50 A Q H >< S+ 0 0 95 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.922 111.3 52.3 -62.2 -42.3 44.6 62.2 9.7 45 51 A I H >X S+ 0 0 13 -4,-2.3 4,-1.5 1,-0.3 3,-1.3 0.908 106.5 56.4 -59.8 -35.9 42.1 62.7 12.5 46 52 A N H 3X S+ 0 0 21 -4,-1.6 4,-2.7 1,-0.3 -1,-0.3 0.697 85.9 74.0 -69.2 -21.7 45.2 62.9 14.8 47 53 A R H << S+ 0 0 183 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.494 113.9 31.2 -68.7 1.8 46.8 65.7 12.8 48 54 A V H <4 S+ 0 0 85 -3,-1.3 -2,-0.3 -4,-0.1 -1,-0.2 0.571 120.9 48.1-124.7 -35.2 43.9 67.6 14.6 49 55 A M H < S- 0 0 11 -4,-1.5 -3,-0.2 -5,-0.1 -2,-0.2 0.689 85.6-151.9 -85.3 -19.5 43.6 65.7 17.8 50 56 A N < + 0 0 108 -4,-2.7 -3,-0.1 1,-0.2 -4,-0.1 0.888 27.9 167.4 46.5 53.2 47.3 65.7 18.6 51 57 A L - 0 0 8 -5,-0.2 -1,-0.2 133,-0.1 133,-0.1 -0.673 41.1-106.8 -89.0 147.7 47.3 62.4 20.7 52 58 A P > - 0 0 70 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.421 30.1-109.0 -72.8 158.6 50.8 61.1 21.4 53 59 A K H > S+ 0 0 181 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.773 115.4 61.0 -56.6 -30.9 51.8 58.0 19.5 54 60 A D H > S+ 0 0 138 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.979 113.4 35.4 -59.9 -56.4 51.6 55.7 22.5 55 61 A Q H > S+ 0 0 38 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.857 112.0 58.7 -66.1 -39.7 47.9 56.5 23.0 56 62 A L H X S+ 0 0 26 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.894 104.9 56.1 -58.6 -34.6 47.1 56.7 19.2 57 63 A A H X S+ 0 0 49 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.893 108.8 42.4 -63.3 -45.8 48.4 53.1 19.2 58 64 A I H X S+ 0 0 22 -4,-1.2 4,-2.3 2,-0.2 5,-0.2 0.866 109.4 57.0 -71.5 -36.9 46.0 51.8 21.8 59 65 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.937 110.3 49.4 -56.5 -41.6 43.1 53.7 20.3 60 66 A S H X S+ 0 0 20 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.944 107.5 49.9 -61.9 -54.6 44.0 51.8 17.1 61 67 A Q H X S+ 0 0 104 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.872 112.2 50.4 -53.1 -40.4 44.2 48.3 18.8 62 68 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.918 112.1 45.9 -64.7 -45.7 40.8 48.9 20.3 63 69 A V H X S+ 0 0 10 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.845 111.3 51.6 -69.4 -35.6 39.2 50.0 17.0 64 70 A E H X S+ 0 0 46 -4,-2.9 4,-3.5 2,-0.2 5,-0.3 0.936 110.2 49.5 -67.7 -44.4 40.7 47.1 15.1 65 71 A L H X S+ 0 0 23 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.941 114.7 43.5 -58.3 -48.3 39.4 44.6 17.6 66 72 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.931 116.5 49.3 -62.7 -42.6 35.9 46.0 17.5 67 73 A H H X S+ 0 0 38 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.936 113.6 42.5 -64.8 -49.9 36.0 46.3 13.8 68 74 A N H X S+ 0 0 9 -4,-3.5 4,-2.3 1,-0.2 -1,-0.2 0.908 114.2 52.2 -66.1 -36.5 37.2 42.8 13.1 69 75 A S H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 5,-0.2 0.937 107.2 53.1 -62.3 -46.4 34.8 41.4 15.7 70 76 A S H X S+ 0 0 19 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.827 109.8 48.7 -55.4 -38.7 31.9 43.2 14.1 71 77 A L H X S+ 0 0 31 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.917 105.6 55.6 -71.5 -42.3 32.7 41.7 10.7 72 78 A L H X S+ 0 0 4 -4,-2.3 4,-0.8 1,-0.2 18,-0.2 0.940 117.0 38.6 -52.2 -45.3 33.0 38.2 12.0 73 79 A I H >X S+ 0 0 5 -4,-2.1 4,-3.3 1,-0.2 3,-0.8 0.911 110.7 58.1 -74.0 -43.6 29.5 38.6 13.3 74 80 A D H 3X S+ 0 0 26 -4,-2.7 4,-3.3 1,-0.3 -1,-0.2 0.875 104.4 52.5 -53.8 -40.7 28.2 40.5 10.4 75 81 A D H 3<>S+ 0 0 5 -4,-2.7 5,-1.3 2,-0.2 4,-0.5 0.770 111.2 46.6 -68.3 -27.4 29.2 37.7 8.1 76 82 A I H X<5S+ 0 0 13 -3,-0.8 3,-1.1 -4,-0.8 -2,-0.2 0.953 115.3 46.5 -74.3 -51.0 27.3 35.2 10.3 77 83 A E H 3<5S+ 0 0 5 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.872 121.4 37.7 -56.8 -38.0 24.3 37.7 10.4 78 84 A D T 3<5S- 0 0 11 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.433 102.7-128.9 -95.6 -0.4 24.5 38.2 6.6 79 85 A N T < 5 + 0 0 121 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.857 44.1 174.6 56.1 34.2 25.4 34.6 5.7 80 86 A A < - 0 0 6 -5,-1.3 -1,-0.2 -6,-0.2 3,-0.1 -0.509 27.5-162.5 -74.8 137.7 28.3 35.9 3.6 81 87 A P S S+ 0 0 56 0, 0.0 7,-1.8 0, 0.0 2,-0.3 0.632 73.4 37.5 -92.6 -17.4 30.6 33.2 2.1 82 88 A L E +A 87 0A 79 5,-0.2 2,-0.3 -7,-0.0 5,-0.2 -0.966 50.2 176.2-137.7 150.8 33.6 35.6 1.5 83 89 A R E > S-A 86 0A 71 3,-2.5 3,-0.9 -2,-0.3 6,-0.0 -0.867 83.8 -0.8-153.4 115.9 35.3 38.6 3.1 84 90 A R T 3 S- 0 0 214 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.927 128.8 -61.9 66.9 47.6 38.4 40.1 1.5 85 91 A G T 3 S+ 0 0 73 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.533 119.1 104.2 57.4 5.8 38.3 37.6 -1.3 86 92 A Q E < S-A 83 0A 105 -3,-0.9 -3,-2.5 1,-0.1 -1,-0.2 -0.830 82.8 -85.8-118.3 158.4 38.8 34.9 1.4 87 93 A T E -A 82 0A 53 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.1 -0.318 52.1-106.4 -62.7 137.2 36.5 32.3 2.9 88 94 A T >> - 0 0 4 -7,-1.8 3,-1.3 1,-0.1 4,-1.0 -0.351 21.9-120.7 -68.8 137.1 34.6 33.6 5.8 89 95 A S H >>>S+ 0 0 5 1,-0.3 4,-2.9 2,-0.2 3,-0.9 0.850 107.8 56.9 -45.7 -44.3 35.5 32.5 9.4 90 96 A H H 3>5S+ 0 0 13 1,-0.3 4,-1.4 -18,-0.2 -1,-0.3 0.841 104.9 53.4 -65.3 -27.0 32.2 30.9 10.3 91 97 A L H <45S+ 0 0 102 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.757 116.1 39.0 -75.2 -21.8 32.4 28.6 7.3 92 98 A I H <<5S+ 0 0 79 -4,-1.0 -2,-0.2 -3,-0.9 -3,-0.1 0.934 134.0 19.2 -91.4 -53.8 35.8 27.4 8.4 93 99 A F H <5S- 0 0 43 -4,-2.9 4,-0.5 1,-0.2 -3,-0.2 0.490 112.0-108.7 -96.5 -3.4 35.5 27.2 12.2 94 100 A G X< - 0 0 24 -4,-1.4 4,-2.0 -5,-0.6 5,-0.2 0.120 29.0 -84.3 90.7 149.7 31.7 27.1 12.5 95 101 A V H > S+ 0 0 46 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.906 121.6 58.6 -54.8 -46.5 29.2 29.7 13.8 96 102 A P H > S+ 0 0 22 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.949 110.5 39.0 -51.6 -58.2 29.6 28.6 17.5 97 103 A S H > S+ 0 0 11 -4,-0.5 4,-3.1 1,-0.2 5,-0.2 0.916 116.8 51.4 -62.2 -41.7 33.4 29.4 17.7 98 104 A T H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.921 111.0 46.8 -65.4 -43.4 33.1 32.5 15.6 99 105 A I H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.981 116.4 45.1 -60.7 -53.6 30.3 34.0 17.6 100 106 A N H X S+ 0 0 3 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.916 114.8 46.8 -59.6 -39.6 32.1 33.2 20.9 101 107 A T H X S+ 0 0 3 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.925 112.7 50.1 -68.6 -43.3 35.5 34.5 19.6 102 108 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.947 113.5 44.3 -59.7 -50.2 34.1 37.7 18.2 103 109 A N H X S+ 0 0 1 -4,-2.9 4,-1.6 -5,-0.2 3,-0.4 0.901 109.6 58.8 -62.7 -35.1 32.2 38.5 21.5 104 110 A Y H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.3 3,-0.4 0.961 105.0 49.6 -55.1 -49.0 35.4 37.5 23.3 105 111 A M H X S+ 0 0 12 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.745 100.9 61.7 -63.8 -28.7 37.3 40.2 21.4 106 112 A Y H X S+ 0 0 6 -4,-1.4 4,-2.0 -3,-0.4 -1,-0.2 0.938 109.6 44.3 -60.3 -45.0 34.7 42.9 22.2 107 113 A F H X S+ 0 0 2 -4,-1.6 4,-2.0 -3,-0.4 -2,-0.2 0.780 109.6 52.7 -70.7 -27.6 35.5 42.3 25.8 108 114 A R H X S+ 0 0 76 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.871 109.5 53.4 -72.4 -35.9 39.3 42.3 25.2 109 115 A A H X S+ 0 0 0 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.932 106.4 49.0 -62.7 -45.9 38.7 45.6 23.5 110 116 A M H >X S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 4,-0.7 0.929 107.0 58.4 -59.8 -41.6 36.9 47.0 26.5 111 117 A Q H >< S+ 0 0 69 -4,-2.0 3,-0.9 1,-0.3 -1,-0.2 0.920 99.8 57.7 -55.2 -44.8 39.8 45.8 28.6 112 118 A L H >< S+ 0 0 20 -4,-1.9 3,-2.4 1,-0.2 -1,-0.3 0.759 87.0 77.3 -57.9 -27.9 42.3 47.9 26.6 113 119 A V H X< S+ 0 0 0 -3,-1.2 3,-2.2 -4,-0.9 4,-0.4 0.917 85.8 61.3 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160 A I - 0 0 41 -7,-0.3 -1,-0.2 -8,-0.2 -4,-0.1 -0.992 66.3-162.4-124.1 130.5 8.3 47.0 7.3 155 161 A I - 0 0 49 -2,-0.4 2,-0.0 -3,-0.1 -8,-0.0 -0.933 27.7-139.7-110.0 105.6 9.2 48.8 4.1 156 162 A P - 0 0 0 0, 0.0 79,-0.2 0, 0.0 2,-0.1 -0.303 6.4-136.5 -68.5 145.1 11.6 51.5 5.3 157 163 A T > - 0 0 51 1,-0.1 4,-2.0 77,-0.1 5,-0.1 -0.334 34.3 -97.9 -86.2 176.3 11.6 55.0 3.9 158 164 A Q H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.859 126.6 53.1 -61.8 -36.7 14.8 57.0 3.0 159 165 A E H > S+ 0 0 138 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 108.3 47.2 -65.6 -46.5 14.5 58.6 6.4 160 166 A M H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.908 111.7 52.1 -61.8 -40.0 14.3 55.4 8.3 161 167 A Y H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.861 109.0 49.6 -63.7 -40.9 17.3 54.0 6.4 162 168 A L H X S+ 0 0 11 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.899 110.4 49.6 -69.5 -40.6 19.4 57.0 7.2 163 169 A N H X S+ 0 0 24 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.890 110.1 51.2 -65.3 -37.7 18.6 56.8 10.9 164 170 A M H X S+ 0 0 0 -4,-2.2 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4,-2.1 1,-0.2 -2,-0.2 0.914 118.7 42.5 -49.8 -54.8 36.9 56.3 17.2 177 183 A L H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 -1,-0.2 0.885 112.7 51.8 -65.3 -41.3 36.6 60.1 16.9 178 184 A R H X S+ 0 0 60 -4,-3.1 4,-2.3 -5,-0.2 5,-0.2 0.917 108.8 50.8 -66.1 -38.1 34.9 60.6 20.2 179 185 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.3 -2,-0.2 0.967 114.3 45.7 -58.8 -49.7 37.6 58.6 22.1 180 186 A M H >X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 3,-0.9 0.953 110.4 51.8 -58.6 -53.0 40.2 60.7 20.4 181 187 A E H 3< S+ 0 0 56 -4,-3.2 -1,-0.2 1,-0.3 3,-0.2 0.855 110.9 48.8 -53.2 -36.0 38.4 64.0 21.1 182 188 A A H 3< S+ 0 0 39 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.782 114.5 46.9 -73.7 -25.3 38.1 63.1 24.8 183 189 A L H << S+ 0 0 14 -4,-1.4 -2,-0.2 -3,-0.9 -1,-0.2 0.599 87.1 114.9 -90.4 -12.8 41.8 62.2 24.7 184 190 A S < 0 0 43 -4,-1.6 -134,-0.1 -3,-0.2 -133,-0.1 -0.302 360.0 360.0 -65.1 131.4 42.9 65.4 22.9 185 191 A P 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -134,-0.1 0.555 360.0 360.0 -97.4 360.0 45.1 67.8 24.8 186 ! 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 0.0 187 198 A S 0 0 115 0, 0.0 4,-0.3 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 142.1 33.8 68.9 17.1 188 199 A L > + 0 0 54 1,-0.2 4,-2.3 2,-0.1 5,-0.2 0.224 360.0 104.0 -95.4 17.1 34.3 66.6 14.1 189 200 A V H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.954 78.8 47.8 -63.1 -53.9 31.3 64.4 15.0 190 201 A P H > S+ 0 0 27 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.931 114.6 48.5 -51.7 -48.4 28.9 65.8 12.3 191 202 A F H > S+ 0 0 84 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.907 112.0 47.0 -60.1 -43.0 31.6 65.4 9.7 192 203 A I H X S+ 0 0 2 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.792 110.7 54.5 -70.9 -26.1 32.4 61.9 10.8 193 204 A N H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.926 108.9 47.3 -70.1 -45.5 28.7 61.1 10.7 194 205 A L H X S+ 0 0 7 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.883 109.6 54.2 -63.3 -37.8 28.4 62.4 7.1 195 206 A L H X S+ 0 0 51 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.860 108.0 49.2 -64.8 -37.5 31.5 60.3 6.2 196 207 A G H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.905 111.1 49.9 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270 A T < - 0 0 23 -5,-0.6 -1,-0.2 -36,-0.2 -33,-0.1 -0.496 43.4-170.5 -87.1 152.2 19.2 33.9 -4.7 258 271 A S + 0 0 87 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.1 0.214 48.8 125.6-116.8 4.0 22.7 33.5 -6.2 259 272 A D > - 0 0 73 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.596 53.9-149.1 -72.2 120.4 21.6 33.3 -9.8 260 273 A K H > S+ 0 0 116 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.835 93.9 51.5 -57.4 -37.1 23.4 36.0 -11.8 261 274 A D H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 109.1 48.1 -71.8 -40.9 20.6 36.5 -14.2 262 275 A I H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.924 115.2 47.2 -63.9 -41.3 18.0 37.0 -11.6 263 276 A K H X S+ 0 0 10 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.928 110.7 51.1 -64.8 -42.5 20.3 39.5 -9.8 264 277 A L H X S+ 0 0 54 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.873 107.7 53.9 -65.6 -33.2 21.1 41.3 -13.0 265 278 A K H X S+ 0 0 99 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.926 108.5 48.1 -65.5 -44.0 17.4 41.6 -13.7 266 279 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 3,-0.2 0.956 112.5 50.2 -61.2 -44.6 16.8 43.3 -10.3 267 280 A I 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-0.487 63.0 -82.8 -71.7 152.5 22.2 62.1 18.1 310 18 B P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.344 52.1-111.9 -59.7 135.0 21.2 59.0 16.1 311 19 B V + 0 0 73 -3,-0.1 2,-0.3 -6,-0.1 -144,-0.1 -0.456 42.5 169.4 -70.3 137.3 17.4 58.6 16.2 312 20 B W - 0 0 45 -2,-0.2 2,-0.2 -3,-0.1 -3,-0.0 -0.954 15.1-155.0-149.6 128.0 16.0 55.6 18.1 313 21 B S > - 0 0 43 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.672 29.6-119.1-108.1 162.3 12.4 55.1 19.0 314 22 B S H > S+ 0 0 108 -2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.875 119.1 53.5 -60.9 -38.8 10.6 53.1 21.6 315 23 B Q H > S+ 0 0 162 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.932 108.9 47.3 -62.6 -46.7 9.1 51.1 18.8 316 24 B N H > S+ 0 0 35 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.916 109.0 55.0 -59.0 -44.0 12.5 50.3 17.4 317 25 B E H X S+ 0 0 35 -4,-2.8 4,-0.9 1,-0.2 -1,-0.3 0.839 107.9 51.7 -58.0 -31.4 13.6 49.4 20.9 318 26 B S H X S+ 0 0 70 -4,-1.5 4,-0.8 -5,-0.2 -1,-0.2 0.873 107.2 50.0 -74.1 -38.5 10.7 47.0 20.8 319 27 B L H >< S+ 0 0 23 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.969 111.0 48.9 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0.891 98.8 60.6 -65.3 -42.6 25.4 50.5 31.1 408 118 B L H >< S+ 0 0 26 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.674 90.8 75.3 -59.1 -18.0 23.4 49.5 34.2 409 119 B V G X< S+ 0 0 0 -3,-0.8 3,-1.4 -4,-0.6 4,-0.5 0.888 90.9 50.2 -64.6 -39.9 26.8 49.2 35.9 410 120 B S G < S+ 0 0 33 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.512 100.0 65.5 -80.7 0.2 27.4 53.0 36.3 411 121 B Q G < S+ 0 0 120 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.412 89.6 69.5 -94.3 0.5 24.0 53.4 37.8 412 122 B L S < S- 0 0 7 -3,-1.4 2,-0.3 1,-0.3 -2,-0.2 0.829 116.1 -7.2 -83.0 -33.5 25.3 51.3 40.7 413 123 B T - 0 0 17 -4,-0.5 -1,-0.3 1,-0.1 66,-0.0 -0.988 39.5-157.5-157.8 158.9 27.6 54.0 41.9 414 124 B T + 0 0 122 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.550 62.8 114.3-113.0 -16.0 29.0 57.4 41.1 415 125 B K > - 0 0 139 1,-0.1 4,-1.9 3,-0.1 5,-0.2 -0.388 65.4-142.2 -57.1 115.1 32.1 57.0 43.3 416 126 B E H > S+ 0 0 68 -2,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.833 92.0 42.6 -55.7 -43.8 34.8 57.0 40.7 417 127 B P H >> S+ 0 0 76 0, 0.0 4,-2.0 0, 0.0 3,-0.8 0.988 115.0 51.2 -65.0 -55.3 37.3 54.4 42.1 418 128 B L H 3> S+ 0 0 25 1,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.787 108.4 53.2 -48.5 -36.6 34.5 52.1 43.1 419 129 B Y H 3X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -1,-0.3 0.867 104.3 54.5 -71.6 -36.1 33.1 52.3 39.6 420 130 B H H < S+ 0 0 10 -4,-1.7 3,-0.6 1,-0.2 -2,-0.2 0.962 117.8 41.3 -61.9 -54.4 33.2 19.5 21.0 445 155 B D H 3< S+ 0 0 56 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.707 118.2 44.3 -69.3 -24.4 33.8 20.8 17.5 446 156 B F H >< S+ 0 0 68 -4,-2.4 3,-3.1 -5,-0.3 -1,-0.2 0.505 93.0 169.7 -98.9 -2.5 37.3 19.6 17.1 447 157 B L T << + 0 0 12 -4,-0.8 4,-0.1 -3,-0.6 -3,-0.1 -0.230 61.1 23.3 -53.5 134.0 36.5 16.2 18.6 448 158 B P T 3 S+ 0 0 70 0, 0.0 -1,-0.4 0, 0.0 3,-0.2 -0.822 103.0 83.1 -95.5 35.3 38.3 14.0 18.6 449 159 B E S < S+ 0 0 118 -3,-3.1 2,-0.4 1,-0.2 -2,-0.2 0.910 107.2 20.6 -60.7 -37.5 41.5 16.1 18.2 450 160 B I - 0 0 41 -7,-0.3 -1,-0.2 -8,-0.1 -4,-0.1 -0.985 62.3-168.0-136.0 128.1 41.5 16.7 22.0 451 161 B I - 0 0 34 -2,-0.4 -8,-0.0 -3,-0.2 75,-0.0 -0.926 26.8-137.7-111.4 110.6 39.9 14.6 24.7 452 162 B P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 78,-0.2 -0.294 6.5-133.9 -72.3 158.4 40.1 16.5 28.0 453 163 B T > - 0 0 56 76,-0.1 4,-2.7 77,-0.0 5,-0.2 -0.463 35.8 -96.3 -91.7 171.4 40.9 15.1 31.3 454 164 B Q H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.837 125.3 52.7 -60.0 -36.3 38.9 15.8 34.5 455 165 B E H > S+ 0 0 135 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.896 109.6 47.5 -69.6 -38.9 41.4 18.5 35.5 456 166 B M H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.974 110.3 52.6 -68.1 -45.5 41.0 20.3 32.1 457 167 B Y H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.869 107.2 52.8 -53.0 -41.4 37.3 20.0 32.3 458 168 B L H X S+ 0 0 13 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.848 108.2 49.4 -67.9 -33.6 37.3 21.6 35.8 459 169 B N H X S+ 0 0 21 -4,-1.7 4,-1.1 -3,-0.5 -1,-0.2 0.812 109.6 52.3 -74.5 -27.8 39.4 24.6 34.6 460 170 B M H >X S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.2 3,-0.7 0.964 111.5 47.5 -69.1 -45.8 37.0 25.1 31.7 461 171 B V H 3X>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 4,-1.1 0.885 104.2 59.4 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