==== 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 11-SEP-09 3JT1 . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR W.LU,J.DU,Y.BELYI,M.STAHL,T.ZIVILIKIDIS,S.GERHARDT,K.AKTORIE . 505 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24578.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.2 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 . 19 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 5 1 0 2 5 1 3 2 0 5 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 1 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 PARALLEL BRIDGES PER LADDER . 2 1 1 2 0 0 0 0 1 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 1 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 5 A R 0 0 219 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 3.6 39.0 42.8 23.8 2 6 A S > + 0 0 59 0, 0.0 4,-0.9 0, 0.0 3,-0.1 -0.170 360.0 122.7-160.8 91.2 37.9 40.3 22.2 3 7 A N H > S+ 0 0 73 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.630 94.9 64.3 -75.2 -12.6 38.8 37.2 20.2 4 8 A E H > S+ 0 0 145 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.875 97.4 50.7 -76.8 -42.6 36.8 35.2 22.7 5 9 A L H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.854 108.6 56.0 -60.1 -34.3 33.4 36.8 21.8 6 10 A S H X S+ 0 0 56 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.904 105.6 48.1 -69.1 -39.5 34.3 36.0 18.2 7 11 A K H X S+ 0 0 50 -4,-1.3 4,-2.9 2,-0.2 5,-0.2 0.932 111.2 53.2 -62.5 -44.7 34.7 32.2 18.9 8 12 A L H X S+ 0 0 25 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.936 110.3 45.6 -53.6 -52.8 31.4 32.3 20.8 9 13 A R H X S+ 0 0 76 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.913 113.5 49.5 -61.6 -42.2 29.5 33.9 17.9 10 14 A M H X S+ 0 0 138 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.930 110.9 49.3 -67.3 -42.6 31.0 31.5 15.3 11 15 A R H X S+ 0 0 86 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.935 111.8 51.6 -55.7 -44.4 30.2 28.5 17.4 12 16 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.931 111.1 42.9 -58.7 -53.5 26.6 29.8 17.7 13 17 A F H <>S+ 0 0 33 -4,-2.3 5,-3.1 2,-0.2 6,-0.3 0.888 115.5 51.6 -62.5 -43.3 25.9 30.4 14.0 14 18 A S H ><5S+ 0 0 71 -4,-2.3 3,-2.3 -5,-0.3 -2,-0.2 0.983 109.0 50.7 -54.2 -56.8 27.6 27.0 13.3 15 19 A A H 3<5S+ 0 0 6 -4,-3.1 30,-0.5 1,-0.3 -2,-0.2 0.887 111.3 47.4 -49.1 -44.9 25.3 25.2 15.9 16 20 A L T ><5S- 0 0 3 -4,-2.2 3,-1.2 -5,-0.2 -1,-0.3 0.133 118.7-109.8 -95.2 21.8 22.1 26.7 14.5 17 21 A N T < 5 - 0 0 89 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.784 50.5 -81.5 69.8 34.3 23.1 25.8 11.0 18 22 A H T 3 - 0 0 67 -2,-0.2 4,-1.9 1,-0.2 3,-0.4 -0.889 30.2-172.9-110.0 104.1 18.3 36.8 12.4 24 28 A L H > S+ 0 0 5 -2,-0.8 4,-2.7 -5,-0.4 5,-0.2 0.794 80.7 65.2 -74.2 -24.0 21.0 35.0 14.2 25 29 A H H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 108.6 39.0 -60.4 -40.1 22.8 38.3 14.9 26 30 A T H > S+ 0 0 54 -3,-0.4 4,-3.0 2,-0.2 -2,-0.2 0.871 115.0 51.2 -81.4 -39.7 20.0 39.6 17.0 27 31 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.989 113.6 47.2 -60.7 -51.5 19.2 36.3 18.7 28 32 A F H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.3 3,-0.4 0.911 112.4 48.2 -51.6 -57.9 22.9 36.0 19.5 29 33 A D H < S+ 0 0 80 -4,-2.2 4,-0.4 1,-0.2 -1,-0.3 0.863 112.3 49.8 -46.7 -45.8 23.1 39.6 20.8 30 34 A N H < S+ 0 0 72 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.763 117.8 39.5 -75.0 -20.7 19.9 39.0 22.9 31 35 A L H >< S+ 0 0 5 -4,-2.1 3,-1.8 -3,-0.4 -2,-0.2 0.657 89.8 91.3 -97.3 -12.9 21.3 35.7 24.5 32 36 A K G >< S+ 0 0 87 -4,-1.6 3,-1.1 1,-0.3 -1,-0.1 0.713 71.0 68.2 -69.7 -22.3 25.0 36.7 25.0 33 37 A S G 3 S+ 0 0 121 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.842 119.0 25.6 -58.5 -27.7 24.8 38.1 28.6 34 38 A N G < S+ 0 0 70 -3,-1.8 2,-0.5 2,-0.0 -1,-0.2 -0.036 98.6 108.0-126.2 34.6 24.1 34.5 29.6 35 39 A L < + 0 0 9 -3,-1.1 2,-0.3 -7,-0.1 -27,-0.1 -0.954 38.2 177.4-120.1 125.7 25.8 32.3 26.9 36 40 A T >> - 0 0 57 -2,-0.5 3,-1.1 1,-0.1 4,-0.8 -0.832 41.7-110.9-118.3 162.7 28.9 30.3 27.4 37 41 A L H >> S+ 0 0 87 -2,-0.3 4,-1.0 1,-0.2 3,-0.7 0.870 115.6 60.5 -57.1 -40.2 30.8 28.0 25.0 38 42 A G H 34 S+ 0 0 29 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.735 102.4 53.3 -62.7 -21.9 29.9 24.9 27.0 39 43 A S H X4 S+ 0 0 0 -3,-1.1 3,-1.4 1,-0.2 -1,-0.2 0.799 94.0 68.8 -82.0 -28.8 26.2 25.7 26.4 40 44 A I H X< S+ 0 0 0 -4,-0.8 3,-2.6 -3,-0.7 4,-0.5 0.877 85.9 67.8 -66.9 -40.4 26.4 25.9 22.7 41 45 A E G >< S+ 0 0 85 -4,-1.0 3,-0.8 1,-0.3 -1,-0.3 0.797 97.4 55.3 -38.8 -37.6 27.1 22.1 22.3 42 46 A H G < S+ 0 0 6 -3,-1.4 7,-0.5 -4,-0.3 8,-0.3 0.367 102.0 58.6 -86.6 6.6 23.5 21.5 23.6 43 47 A L G < S+ 0 0 0 -3,-2.6 -1,-0.2 6,-0.1 -2,-0.2 0.452 86.0 104.1-104.9 -11.0 22.2 23.6 20.8 44 48 A Q S X S- 0 0 72 -3,-0.8 3,-1.9 -4,-0.5 6,-0.4 -0.304 87.1 -74.6 -74.6 160.3 23.7 21.6 17.8 45 49 A E T 3 S+ 0 0 146 -30,-0.5 -1,-0.2 1,-0.3 3,-0.1 -0.207 122.6 44.8 -50.1 137.4 21.9 19.3 15.4 46 50 A G T 3 S+ 0 0 53 1,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.123 94.6 105.3 99.4 -18.1 21.3 16.1 17.3 47 51 A S S <> S- 0 0 7 -3,-1.9 4,-1.9 1,-0.1 -1,-0.4 -0.590 77.4-124.8 -99.2 162.5 20.0 17.9 20.4 48 52 A V H > S+ 0 0 0 -2,-0.2 4,-1.9 2,-0.2 5,-0.2 0.863 112.1 56.9 -69.7 -31.4 16.5 18.3 21.6 49 53 A T H > S+ 0 0 0 -7,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.957 106.3 48.6 -67.9 -45.9 16.9 22.1 21.6 50 54 A Y H > S+ 0 0 20 -6,-0.4 4,-2.6 -8,-0.3 -1,-0.2 0.915 110.3 51.2 -55.2 -44.2 17.8 22.1 17.9 51 55 A A H X S+ 0 0 35 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.867 110.3 48.8 -69.8 -34.7 14.9 19.9 17.0 52 56 A I H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.928 109.9 52.8 -65.3 -44.6 12.5 22.3 18.9 53 57 A I H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.908 104.7 55.7 -57.4 -43.5 14.1 25.3 17.1 54 58 A Q H X S+ 0 0 55 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.902 111.2 43.0 -58.7 -39.3 13.5 23.6 13.7 55 59 A E H >< S+ 0 0 128 -4,-1.5 3,-0.8 1,-0.2 4,-0.4 0.869 111.8 55.3 -74.1 -34.0 9.8 23.3 14.5 56 60 A L H >< S+ 0 0 18 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.823 100.1 60.3 -69.7 -30.5 9.7 26.9 15.9 57 61 A L H 3< S+ 0 0 8 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.684 97.6 57.8 -63.4 -23.2 11.2 28.3 12.7 58 62 A K T << S+ 0 0 155 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.634 99.2 89.0 -81.9 -10.0 8.2 27.0 10.7 59 63 A G S X S- 0 0 34 -3,-0.8 3,-1.0 -4,-0.4 2,-0.1 -0.475 87.3-101.3 -89.8 152.5 6.0 29.1 13.0 60 64 A A T 3 S+ 0 0 90 1,-0.2 -1,-0.1 -2,-0.2 5,-0.1 -0.407 109.6 24.9 -57.6 140.1 4.8 32.7 13.0 61 65 A D T >> S+ 0 0 106 -2,-0.1 4,-2.3 3,-0.1 3,-0.5 0.775 76.6 160.4 73.0 30.3 6.8 34.9 15.2 62 66 A A H <> + 0 0 11 -3,-1.0 4,-2.8 1,-0.2 5,-0.3 0.864 64.7 55.9 -50.1 -49.6 9.8 32.6 15.0 63 67 A Q H 3> S+ 0 0 60 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.869 114.0 37.5 -56.9 -46.0 12.4 35.2 16.1 64 68 A K H <> S+ 0 0 109 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.867 116.6 49.9 -77.8 -41.1 10.7 36.0 19.4 65 69 A K H X S+ 0 0 100 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.921 112.3 48.3 -62.5 -44.8 9.5 32.5 20.3 66 70 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.917 111.6 51.2 -61.4 -43.1 13.0 31.1 19.6 67 71 A E H X S+ 0 0 17 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.924 111.5 46.0 -63.2 -43.7 14.5 33.8 21.7 68 72 A S H X S+ 0 0 58 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.936 113.3 49.1 -62.6 -50.5 12.2 33.2 24.7 69 73 A F H X S+ 0 0 6 -4,-2.5 4,-3.3 1,-0.2 -2,-0.2 0.931 113.9 46.0 -50.1 -53.6 12.6 29.5 24.6 70 74 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.4 0.837 107.9 54.1 -68.0 -37.6 16.4 29.7 24.5 71 75 A K H X S+ 0 0 94 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.955 117.2 40.6 -56.8 -46.9 16.8 32.3 27.2 72 76 A G H X S+ 0 0 14 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.892 115.2 49.2 -66.6 -46.6 14.8 30.0 29.4 73 77 A A H X>S+ 0 0 0 -4,-3.3 5,-2.5 1,-0.2 4,-1.5 0.950 116.0 43.0 -63.8 -47.3 16.4 26.8 28.2 74 78 A I H <>S+ 0 0 3 -4,-2.7 5,-2.2 4,-0.2 -1,-0.2 0.938 118.7 43.7 -62.4 -43.6 19.9 28.1 28.7 75 79 A K H <5S+ 0 0 127 -4,-2.0 -2,-0.2 -5,-0.4 -3,-0.2 0.959 125.6 25.5 -72.9 -44.1 19.2 29.8 32.0 76 80 A N H <5S+ 0 0 108 -4,-2.6 -1,-0.2 -5,-0.1 -3,-0.2 0.458 135.1 13.8 -99.7 -11.8 17.2 27.1 33.9 77 81 A V T X5S+ 0 0 17 -4,-1.5 4,-1.0 -5,-0.3 -3,-0.2 0.576 122.8 39.9-131.0 -54.5 18.2 23.7 32.3 78 82 A I H > S+ 0 0 60 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.907 112.8 56.5 -65.1 -24.7 22.9 24.6 35.4 81 85 A G H X>S+ 0 0 3 -4,-1.0 5,-2.1 2,-0.2 4,-0.6 0.930 106.7 45.7 -64.5 -45.9 23.3 21.2 33.6 82 86 A V H ><5S+ 0 0 42 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.923 110.7 53.1 -64.7 -41.5 26.8 22.0 32.3 83 87 A I H 3<5S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.848 109.1 50.4 -63.3 -30.3 28.0 23.3 35.6 84 88 A K H 3<5S- 0 0 90 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.547 119.4-106.8 -87.4 -8.2 26.8 20.1 37.3 85 89 A G T <<5 + 0 0 10 -3,-1.2 174,-0.4 -4,-0.6 -3,-0.2 0.558 58.7 163.9 90.6 9.2 28.6 17.7 34.8 86 90 A L < - 0 0 13 -5,-2.1 -1,-0.2 -6,-0.2 174,-0.0 -0.280 33.6-124.5 -55.9 147.2 25.5 16.5 32.9 87 91 A T > - 0 0 18 391,-0.2 4,-2.6 172,-0.1 5,-0.2 -0.401 29.9-100.2 -82.5 163.0 26.0 14.7 29.6 88 92 A P H > S+ 0 0 60 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.864 126.4 51.0 -50.3 -33.9 24.4 15.8 26.3 89 93 A N H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.879 109.7 47.7 -73.1 -35.4 21.8 13.0 26.9 90 94 A E H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 113.8 48.3 -72.8 -37.5 21.1 14.1 30.4 91 95 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.921 109.1 54.1 -69.9 -39.8 20.7 17.7 29.3 92 96 A N H X S+ 0 0 7 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.877 108.9 47.1 -58.9 -45.9 18.4 16.6 26.4 93 97 A W H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.907 109.8 53.6 -61.6 -42.2 16.1 14.8 28.7 94 98 A N H X S+ 0 0 28 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.861 109.2 48.9 -60.9 -36.5 16.0 17.7 31.1 95 99 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.943 110.3 51.8 -67.1 -46.8 15.0 20.1 28.2 96 100 A A H < S+ 0 0 0 -4,-2.0 7,-0.2 1,-0.2 -2,-0.2 0.881 110.7 47.7 -54.7 -43.5 12.2 17.6 27.1 97 101 A K H < S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.904 113.8 48.2 -67.9 -45.3 10.8 17.5 30.7 98 102 A A H < S+ 0 0 46 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.739 118.1 40.2 -64.2 -28.0 10.9 21.4 30.9 99 103 A Y >X + 0 0 31 -4,-1.9 4,-1.6 1,-0.2 3,-1.5 -0.480 57.5 149.6-127.3 67.0 9.2 21.9 27.5 100 104 A P T 34 S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.784 74.6 65.0 -70.1 -21.8 6.5 19.4 27.0 101 105 A E T 34 S+ 0 0 126 1,-0.2 3,-0.1 -3,-0.2 -2,-0.1 0.791 115.1 30.9 -64.8 -24.0 4.6 21.9 24.9 102 106 A Y T <4 S+ 0 0 81 -3,-1.5 2,-0.4 1,-0.2 -1,-0.2 0.519 120.2 47.1-113.4 -12.0 7.5 21.6 22.4 103 107 A Y < - 0 0 38 -4,-1.6 2,-0.4 -7,-0.2 -1,-0.2 -0.869 68.1-149.1-139.3 106.7 8.8 18.1 22.8 104 108 A E + 0 0 193 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.1 -0.534 35.7 152.0 -72.5 126.4 6.5 15.1 22.8 105 109 A H - 0 0 57 -2,-0.4 -2,-0.1 -9,-0.1 2,-0.0 -0.987 39.9-113.4-155.9 152.9 7.9 12.3 25.0 106 110 A E - 0 0 136 -2,-0.3 2,-0.0 1,-0.1 0, 0.0 -0.224 44.0 -88.7 -75.9 168.3 7.0 9.3 27.1 107 111 A K - 0 0 174 1,-0.1 -1,-0.1 363,-0.1 0, 0.0 -0.312 49.3 -89.0 -69.8 156.0 7.5 9.0 30.9 108 112 A L - 0 0 16 1,-0.1 362,-0.2 -2,-0.0 -1,-0.1 -0.579 52.3-126.1 -60.5 115.3 10.7 7.6 32.5 109 113 A P - 0 0 27 0, 0.0 2,-0.9 0, 0.0 362,-0.1 -0.195 20.0-100.7 -66.6 164.2 10.2 3.9 32.7 110 114 A D + 0 0 119 7,-0.1 2,-0.4 2,-0.0 7,-0.0 -0.734 50.5 168.3 -85.1 105.1 10.5 1.8 35.9 111 115 A V - 0 0 7 -2,-0.9 7,-2.7 7,-0.3 2,-0.4 -0.982 21.4-153.4-124.9 127.8 13.9 0.1 35.8 112 116 A T E +A 117 0A 59 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.809 13.9 177.0 -99.8 140.1 15.6 -1.7 38.7 113 117 A F E > S-A 116 0A 0 3,-2.6 3,-1.3 -2,-0.4 338,-0.2 -0.929 74.7 -16.7-143.2 113.5 19.4 -1.9 38.9 114 118 A G T 3 S- 0 0 5 336,-1.9 193,-0.1 -2,-0.4 194,-0.1 0.904 128.3 -52.3 55.6 40.5 20.9 -3.6 42.0 115 119 A G T 3 S+ 0 0 71 335,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.541 118.7 109.9 78.0 7.5 17.7 -3.3 44.0 116 120 A F E < S-A 113 0A 17 -3,-1.3 -3,-2.6 188,-0.0 2,-0.5 -0.915 70.6-124.8-122.1 137.4 17.5 0.5 43.2 117 121 A K E -A 112 0A 102 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.1 -0.724 37.2-115.7 -80.7 122.1 15.0 2.2 41.0 118 122 A V - 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0 0 8 -5,-2.1 -3,-0.5 -7,-0.1 -1,-0.4 -0.588 40.3-157.8 -84.5 149.0 43.5 -19.4 43.9 220 224 A N > - 0 0 28 -2,-0.2 4,-1.4 -5,-0.1 3,-0.1 -0.993 15.9-151.2-133.7 129.6 43.4 -16.6 41.3 221 225 A P H > S+ 0 0 31 0, 0.0 4,-2.4 0, 0.0 -85,-0.1 0.692 97.9 58.5 -77.7 -21.5 44.5 -13.0 41.9 222 226 A A H > S+ 0 0 51 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.779 105.8 52.2 -72.3 -25.5 42.1 -11.5 39.3 223 227 A A H > S+ 0 0 0 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.895 109.2 47.5 -77.5 -44.2 39.4 -13.1 41.3 224 228 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 3,-0.2 0.957 111.9 51.8 -52.3 -54.4 40.7 -11.5 44.5 225 229 A S H X S+ 0 0 11 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.887 108.2 52.6 -47.2 -42.1 40.9 -8.1 42.6 226 230 A D H >< S+ 0 0 16 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.914 110.0 46.6 -65.7 -43.8 37.3 -8.6 41.5 227 231 A L H >< S+ 0 0 0 -4,-1.7 3,-2.1 1,-0.2 -1,-0.2 0.886 100.5 65.2 -67.5 -40.2 36.0 -9.1 45.0 228 232 A C H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.799 89.5 72.0 -50.2 -30.4 37.9 -6.1 46.5 229 233 A R T << S+ 0 0 11 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.544 95.0 50.3 -69.9 -5.8 35.7 -3.9 44.3 230 234 A W T < S+ 0 0 2 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.1 0.103 81.3 106.8-119.1 20.3 32.6 -4.5 46.4 231 235 A I X> - 0 0 0 -3,-1.7 4,-2.2 1,-0.1 3,-2.1 -0.901 60.4-150.6-106.3 110.8 34.1 -3.8 49.9 232 236 A P T 34 S+ 0 0 31 0, 0.0 -1,-0.1 0, 0.0 -32,-0.0 0.774 93.3 57.3 -56.6 -31.1 32.8 -0.4 51.2 233 237 A E T 34 S+ 0 0 84 1,-0.2 3,-0.2 3,-0.1 -34,-0.1 0.700 114.1 40.4 -71.9 -20.7 35.8 0.4 53.2 234 238 A L T <4 S+ 0 0 4 -3,-2.1 2,-0.5 1,-0.3 -1,-0.2 0.814 124.5 32.1 -94.5 -42.7 38.0 0.1 50.1 235 239 A F < + 0 0 0 -4,-2.2 -1,-0.3 -7,-0.2 3,-0.1 -0.969 61.6 129.2-122.0 116.3 35.7 1.8 47.6 236 240 A N S S+ 0 0 61 -2,-0.5 62,-0.3 1,-0.4 2,-0.3 0.310 75.7 14.6-141.1 -0.5 33.4 4.7 48.6 237 241 A E S S+ 0 0 48 60,-0.1 -1,-0.4 2,-0.1 59,-0.2 -0.977 99.5 21.0-167.3 165.2 34.2 7.3 46.0 238 242 A G E S- F 0 295C 0 57,-0.7 57,-2.5 -2,-0.3 2,-0.3 -0.332 89.7 -44.9 71.0-151.4 35.9 7.9 42.7 239 243 A F E -dF 131 294C 0 -109,-3.0 -107,-2.3 55,-0.2 2,-0.5 -0.789 27.5-143.9-119.3 151.2 36.5 5.2 40.2 240 244 A Y E +dF 132 293C 5 53,-3.1 53,-2.3 -2,-0.3 2,-0.4 -0.973 34.1 174.1-100.4 132.0 37.8 1.7 40.0 241 245 A V E - 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0 0 29 10,-2.6 3,-0.1 -2,-0.6 228,-0.1 -0.090 21.8 -86.1 -74.7 176.4 20.6 -10.5 18.7 274 278 A E S S- 0 0 97 1,-0.1 9,-0.4 8,-0.1 -1,-0.2 -0.464 70.1 -73.1 -67.0 155.5 19.7 -12.4 15.7 275 279 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.253 60.5-157.4 -53.6 137.5 15.9 -12.4 15.1 276 280 A I B >> -L 281 0E 80 5,-2.0 5,-1.4 -3,-0.1 4,-0.6 -0.826 21.1 -53.8-123.7 160.4 14.1 -14.6 17.6 277 281 A A T 45S+ 0 0 85 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.320 97.6 15.9 -73.3 160.8 10.8 -16.4 17.7 278 282 A P T 45S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.987 131.2 26.4 -94.8 -5.8 7.8 -16.0 17.5 279 283 A H T 45S- 0 0 124 -3,-0.3 -2,-0.2 2,-0.1 0, 0.0 0.215 98.3-116.1-101.5 14.7 7.7 -12.6 15.7 280 284 A H T <5 + 0 0 153 -4,-0.6 2,-0.4 1,-0.2 -3,-0.2 0.931 65.9 149.1 47.7 46.5 11.1 -12.7 14.0 281 285 A R B < -L 276 0E 112 -5,-1.4 -5,-2.0 -7,-0.1 2,-0.2 -0.892 48.1-120.2-112.5 144.9 12.3 -9.7 16.1 282 286 A R - 0 0 76 -2,-0.4 178,-2.0 -7,-0.2 2,-0.4 -0.523 24.6-147.6 -72.7 144.7 15.7 -8.7 17.4 283 287 A Q E -J 459 0C 33 -9,-0.4 -10,-2.6 176,-0.3 2,-0.6 -0.886 7.0-136.5-110.3 141.4 16.2 -8.3 21.1 284 288 A E E -JG 458 272C 1 174,-2.8 174,-1.9 -2,-0.4 2,-0.5 -0.894 19.5-168.7 -98.4 126.4 18.6 -5.8 22.8 285 289 A A E -JG 457 271C 31 -14,-2.4 -14,-2.0 -2,-0.6 172,-0.2 -0.933 15.9-136.1-114.1 117.6 20.6 -7.3 25.7 286 290 A V E - G 0 270C 3 170,-2.8 2,-0.3 -2,-0.5 -16,-0.3 -0.545 20.1-163.6 -72.1 135.1 22.6 -5.0 28.0 287 291 A C E - G 0 269C 27 -18,-2.2 -18,-2.1 -2,-0.2 2,-0.3 -0.873 5.1-169.4-116.9 152.4 26.1 -6.1 28.8 288 292 A M E - G 0 268C 13 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.974 5.5-167.3-143.4 151.8 28.3 -4.8 31.6 289 293 A N E - G 0 267C 21 -22,-2.6 -22,-1.0 -2,-0.3 3,-0.4 -0.936 22.4-138.9-140.6 162.4 31.9 -5.0 32.8 290 294 A T E S+ 0 0 7 -2,-0.3 3,-0.2 1,-0.2 -22,-0.0 0.201 76.5 100.9-116.3 14.3 33.8 -4.2 35.9 291 295 A D E S+ 0 0 2 1,-0.2 -49,-1.9 -50,-0.1 2,-0.4 0.753 95.1 30.6 -64.4 -28.2 36.9 -2.8 34.3 292 296 A I E S+F 241 0C 0 -3,-0.4 -25,-1.5 -51,-0.2 2,-0.3 -0.990 75.2 168.3-132.1 126.0 35.5 0.7 35.0 293 297 A I E -FG 240 266C 0 -53,-2.3 -53,-3.1 -2,-0.4 2,-0.4 -0.999 15.9-158.5-135.4 133.3 33.3 1.2 38.1 294 298 A A E -FG 239 265C 0 -29,-2.5 -29,-2.2 -2,-0.3 2,-0.5 -0.941 4.3-158.8-117.7 138.8 32.2 4.6 39.6 295 299 A Y E -FG 238 264C 0 -57,-2.5 -57,-0.7 -2,-0.4 -168,-0.4 -0.948 14.5-133.4-122.5 117.7 31.0 5.0 43.2 296 300 A A - 0 0 0 -33,-3.6 2,-1.4 -2,-0.5 -170,-0.2 -0.314 23.7-114.7 -69.1 154.1 28.8 8.0 44.3 297 301 A N S S+ 0 0 64 -172,-1.8 2,-0.3 4,-0.1 -172,-0.1 -0.702 82.3 98.6 -81.2 77.0 29.7 9.9 47.4 298 302 A D S >> S- 0 0 53 -2,-1.4 3,-1.3 -62,-0.3 4,-0.7 -0.982 84.4-110.5-170.1 146.6 26.4 8.8 49.2 299 303 A R H >> S+ 0 0 191 -2,-0.3 4,-1.2 1,-0.2 3,-0.8 0.874 111.4 67.2 -59.4 -36.6 24.9 6.3 51.7 300 304 A E H 3> S+ 0 0 53 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.807 90.9 64.7 -57.4 -26.4 23.0 4.6 48.8 301 305 A T H <> S+ 0 0 0 -3,-1.3 4,-2.7 1,-0.2 -1,-0.3 0.922 100.4 48.7 -57.0 -48.0 26.4 3.4 47.5 302 306 A Q H X + 0 0 76 -4,-2.5 3,-0.7 -5,-0.1 4,-0.7 -0.752 68.4 165.1-129.2 86.5 27.7 -22.9 46.3 319 323 A P H 3> + 0 0 3 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.660 63.2 78.5 -75.9 -12.9 29.5 -22.4 43.0 320 324 A Y H 34 S+ 0 0 11 1,-0.2 4,-0.1 2,-0.2 18,-0.1 0.824 92.1 51.4 -67.9 -32.0 27.8 -25.3 41.2 321 325 A T H X4 S+ 0 0 94 -3,-0.7 3,-1.1 1,-0.2 -1,-0.2 0.916 111.1 47.8 -72.5 -43.1 24.6 -23.3 40.6 322 326 A A H 3< S+ 0 0 30 -4,-0.7 3,-0.4 1,-0.2 -2,-0.2 0.840 116.0 43.4 -63.9 -40.0 26.6 -20.4 39.1 323 327 A L T >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 6,-0.4 0.274 81.5 111.8 -87.6 10.9 28.6 -22.7 36.8 324 328 A K T < S+ 0 0 138 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.754 81.4 37.8 -64.9 -33.9 25.6 -24.9 35.8 325 329 A D T 3 S+ 0 0 138 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.126 97.1 105.1 -99.3 13.6 25.4 -23.8 32.1 326 330 A T S X S- 0 0 17 -3,-1.7 3,-0.7 1,-0.1 4,-0.3 -0.470 83.9-109.2 -91.0 167.4 29.2 -23.6 31.6 327 331 A P G > S+ 0 0 46 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.859 114.9 61.1 -67.5 -29.5 31.3 -26.1 29.7 328 332 A L G > S+ 0 0 1 103,-0.3 3,-1.6 1,-0.3 6,-0.4 0.799 91.4 68.7 -66.0 -28.2 32.9 -27.5 32.8 329 333 A A G < S+ 0 0 8 -3,-0.7 -1,-0.3 -6,-0.4 6,-0.1 0.659 90.9 62.3 -64.0 -16.6 29.6 -28.5 34.1 330 334 A Q G < S+ 0 0 131 -3,-1.8 41,-0.4 -4,-0.3 -1,-0.3 0.582 88.8 94.5 -87.2 -5.0 29.4 -31.2 31.3 331 335 A T S <> S- 0 0 1 -3,-1.6 4,-1.7 -4,-0.3 37,-0.2 -0.454 78.5-128.6 -86.9 153.4 32.4 -33.0 32.7 332 336 A A H > S+ 0 0 27 35,-1.2 4,-2.0 34,-0.4 35,-0.2 0.849 108.6 61.1 -65.4 -34.9 32.6 -36.0 35.1 333 337 A F H > S+ 0 0 33 33,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.881 104.0 47.6 -59.1 -42.7 35.0 -34.1 37.3 334 338 A F H > S+ 0 0 7 -6,-0.4 4,-2.0 32,-0.3 -1,-0.2 0.928 109.3 54.2 -67.2 -46.4 32.5 -31.3 38.0 335 339 A N H X S+ 0 0 87 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.909 112.9 43.7 -48.6 -45.0 29.8 -33.9 38.8 336 340 A R H X S+ 0 0 91 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.868 110.2 51.9 -74.4 -44.1 32.0 -35.5 41.3 337 341 A C H X>S+ 0 0 2 -4,-2.3 5,-2.1 2,-0.2 4,-0.9 0.827 108.5 55.7 -57.8 -33.4 33.3 -32.3 42.9 338 342 A E H ><5S+ 0 0 98 -4,-2.0 3,-0.8 2,-0.2 -2,-0.2 0.949 109.7 43.4 -68.3 -52.2 29.6 -31.3 43.2 339 343 A E H 3<5S+ 0 0 176 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.923 116.2 49.0 -54.5 -44.0 28.7 -34.5 45.2 340 344 A E H 3<5S- 0 0 108 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.612 107.4-124.2 -78.2 -10.8 31.9 -34.1 47.2 341 345 A G T <<5 + 0 0 57 -4,-0.9 -3,-0.2 -3,-0.8 -4,-0.1 0.754 42.6 176.9 71.0 28.3 31.3 -30.4 48.1 342 346 A K < - 0 0 67 -5,-2.1 -1,-0.1 -6,-0.1 2,-0.1 -0.262 24.5-125.3 -60.6 148.2 34.7 -29.3 46.7 343 347 A N > - 0 0 68 -25,-0.1 4,-2.5 -24,-0.1 3,-0.5 -0.391 31.1 -91.4 -93.3 173.2 35.3 -25.5 46.9 344 348 A I H > S+ 0 0 1 -28,-0.4 4,-2.8 1,-0.2 5,-0.2 0.840 123.7 58.2 -59.7 -29.7 36.2 -23.2 44.0 345 349 A F H > S+ 0 0 21 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.924 109.6 42.6 -65.9 -41.1 39.9 -23.6 44.7 346 350 A E H > S+ 0 0 89 -3,-0.5 4,-2.9 2,-0.2 5,-0.3 0.910 111.9 55.0 -76.3 -39.5 39.8 -27.4 44.3 347 351 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.966 114.5 40.8 -51.1 -49.3 37.6 -27.1 41.3 348 352 A R H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.920 116.6 47.5 -69.1 -45.1 40.2 -24.8 39.7 349 353 A K H X S+ 0 0 33 -4,-2.8 4,-2.4 -132,-0.3 -1,-0.2 0.841 109.5 54.1 -62.6 -37.8 43.1 -26.8 40.8 350 354 A G H X S+ 0 0 15 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.889 108.7 49.4 -63.4 -40.2 41.6 -30.0 39.6 351 355 A L H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.3 -2,-0.2 0.961 111.6 48.4 -62.8 -51.2 41.0 -28.5 36.2 352 356 A Q H X S+ 0 0 39 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.893 110.4 51.1 -54.7 -48.9 44.6 -27.4 36.0 353 357 A D H >X S+ 0 0 81 -4,-2.4 4,-1.4 1,-0.2 3,-0.5 0.883 106.0 56.6 -60.4 -38.6 46.0 -30.8 37.1 354 358 A A H 3< S+ 0 0 10 -4,-2.0 3,-0.5 1,-0.2 5,-0.4 0.930 110.4 41.9 -61.9 -42.7 44.0 -32.5 34.5 355 359 A F H 3< S+ 0 0 17 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.559 114.1 53.8 -85.7 -4.5 45.5 -30.5 31.6 356 360 A R H << S+ 0 0 170 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.625 87.6 81.7 -93.0 -16.1 49.0 -30.7 33.2 357 361 A S S < S- 0 0 33 -4,-1.4 -2,-0.1 -3,-0.5 -1,-0.1 0.620 79.1-149.7 -63.7 -18.2 48.9 -34.6 33.4 358 362 A D + 0 0 98 -4,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.846 57.5 123.2 48.7 34.0 49.9 -35.1 29.8 359 363 A S > - 0 0 14 -5,-0.4 4,-2.3 1,-0.1 -1,-0.2 -0.975 55.1-159.8-132.5 119.7 47.9 -38.3 30.0 360 364 A L H > S+ 0 0 0 -2,-0.5 4,-1.9 2,-0.2 -1,-0.1 0.809 97.5 55.4 -61.7 -34.6 45.0 -39.3 27.8 361 365 A L H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.922 110.6 46.3 -64.0 -42.9 43.7 -41.8 30.4 362 366 A E H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.898 109.7 53.4 -66.6 -40.3 43.6 -39.0 33.0 363 367 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.908 107.2 53.1 -57.0 -41.8 41.9 -36.7 30.6 364 368 A Y H X S+ 0 0 7 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.922 107.8 48.6 -62.6 -45.0 39.2 -39.3 30.0 365 369 A V H < S+ 0 0 88 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.941 116.4 46.5 -60.0 -41.7 38.5 -39.7 33.8 366 370 A F H < S+ 0 0 9 -4,-2.4 -33,-2.5 1,-0.2 -34,-0.4 0.933 120.3 33.8 -64.0 -55.5 38.3 -36.0 34.0 367 371 A L H < S- 0 0 3 -4,-3.0 -35,-1.2 -36,-0.2 4,-0.5 0.916 96.7-147.2 -69.6 -42.2 36.1 -35.3 31.0 368 372 A G X - 0 0 5 -4,-2.7 4,-3.0 -5,-0.3 5,-0.3 -0.035 36.7 -66.5 78.0 164.6 33.9 -38.4 31.1 369 373 A P H > S+ 0 0 49 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.884 129.1 50.1 -56.9 -49.8 32.5 -40.2 28.0 370 374 A A H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.937 118.9 36.7 -58.5 -53.4 30.0 -37.4 26.8 371 375 A K H > S+ 0 0 17 -4,-0.5 4,-2.3 -41,-0.4 -1,-0.2 0.835 115.5 53.5 -69.9 -33.5 32.6 -34.7 26.9 372 376 A F H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 6,-0.3 0.910 108.4 54.6 -64.5 -34.6 35.4 -36.9 25.7 373 377 A K H <>S+ 0 0 65 -4,-2.7 5,-1.5 -5,-0.3 -2,-0.2 0.897 111.4 41.4 -62.0 -44.1 33.1 -37.8 22.8 374 378 A E H ><5S+ 0 0 111 -4,-1.7 3,-1.1 3,-0.2 -1,-0.2 0.918 112.0 54.5 -74.9 -44.1 32.5 -34.2 21.7 375 379 A V H 3<5S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.833 119.4 32.1 -62.1 -34.4 36.1 -33.1 22.2 376 380 A F T 3<5S- 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.184 106.6-122.2-108.2 16.2 37.5 -35.9 19.9 377 381 A K T < 5 + 0 0 152 -3,-1.1 -3,-0.2 1,-0.1 -4,-0.1 0.697 49.9 170.0 55.9 32.6 34.5 -36.0 17.6 378 382 A L < - 0 0 10 -5,-1.5 2,-0.1 -6,-0.3 -1,-0.1 -0.179 35.4-112.7 -74.1 157.2 33.8 -39.7 18.2 379 383 A K > - 0 0 144 26,-0.1 4,-2.0 1,-0.1 3,-0.4 -0.483 32.9-108.6 -81.4 164.7 30.7 -41.7 17.1 380 384 A E H > S+ 0 0 116 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.925 118.9 50.9 -62.6 -41.8 28.3 -42.9 19.8 381 385 A T H > S+ 0 0 110 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.766 108.4 53.3 -68.1 -27.4 29.3 -46.5 19.3 382 386 A Q H > S+ 0 0 36 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.906 112.0 41.5 -76.1 -46.4 33.0 -45.7 19.5 383 387 A I H X S+ 0 0 6 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.878 111.4 58.7 -65.9 -37.6 32.8 -43.9 22.8 384 388 A K H X S+ 0 0 111 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.952 109.1 44.6 -54.6 -48.2 30.4 -46.6 24.1 385 389 A Y H X S+ 0 0 114 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.903 112.3 51.6 -65.8 -39.1 33.1 -49.2 23.4 386 390 A I H >X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.2 3,-0.6 0.953 111.5 47.1 -58.9 -42.8 35.8 -47.1 24.9 387 391 A D H >< S+ 0 0 64 -4,-2.6 3,-0.6 1,-0.3 4,-0.3 0.873 109.7 51.8 -70.8 -39.8 33.7 -46.6 28.1 388 392 A D H 3< S+ 0 0 80 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.754 121.3 33.9 -62.2 -30.7 32.8 -50.2 28.5 389 393 A H H X< S+ 0 0 53 -4,-1.1 3,-1.6 -3,-0.6 4,-0.4 0.265 84.1 106.8-113.0 6.7 36.5 -51.2 28.2 390 394 A I G X< S+ 0 0 38 -3,-0.6 3,-1.6 -4,-0.6 -2,-0.1 0.849 72.6 62.0 -64.7 -34.9 38.2 -48.2 29.9 391 395 A S G 3 S+ 0 0 112 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.649 106.1 48.2 -66.4 -15.2 39.2 -50.2 33.1 392 396 A E G < S+ 0 0 124 -3,-1.6 2,-0.3 2,-0.1 -1,-0.3 0.418 94.6 104.3 -94.2 -7.0 41.3 -52.6 30.9 393 397 A F < - 0 0 26 -3,-1.6 2,-0.2 -4,-0.4 -3,-0.0 -0.582 48.2-166.7 -90.1 140.1 43.1 -49.8 29.0 394 398 A N > - 0 0 79 -2,-0.3 4,-1.5 -33,-0.0 5,-0.1 -0.540 49.0 -88.0 -96.8-177.1 46.6 -48.5 29.3 395 399 A E H > S+ 0 0 47 -2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.823 125.8 48.7 -63.1 -42.2 47.6 -45.3 27.7 396 400 A H H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.900 105.1 59.0 -66.0 -43.0 48.6 -46.7 24.3 397 401 A D H > S+ 0 0 57 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.924 107.9 46.7 -54.1 -42.4 45.3 -48.8 24.0 398 402 A L H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.901 111.0 51.5 -67.9 -41.7 43.3 -45.5 24.2 399 403 A L H X S+ 0 0 10 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.837 107.4 53.4 -59.9 -36.6 45.5 -43.8 21.7 400 404 A L H X S+ 0 0 70 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.821 106.9 52.2 -73.1 -33.0 45.0 -46.8 19.3 401 405 A H H X S+ 0 0 48 -4,-1.6 4,-1.3 -5,-0.2 -1,-0.2 0.882 107.1 52.4 -70.9 -34.7 41.3 -46.4 19.6 402 406 A L H X S+ 0 0 1 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.926 109.8 49.0 -62.5 -40.8 41.5 -42.7 18.8 403 407 A I H >< S+ 0 0 71 -4,-1.7 3,-0.5 1,-0.2 -2,-0.2 0.951 113.0 45.1 -69.8 -51.7 43.5 -43.4 15.6 404 408 A S H 3< S+ 0 0 101 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.814 115.2 51.3 -50.9 -36.6 41.2 -46.1 14.2 405 409 A D H 3< S- 0 0 29 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.672 123.3 -6.8 -88.3 -21.8 38.2 -44.0 15.1 406 410 A N << + 0 0 46 -4,-1.4 -3,-0.1 -3,-0.5 -4,-0.0 0.465 57.4 150.7-129.1 -91.1 39.0 -40.6 13.4 407 411 A P + 0 0 47 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.278 62.2 89.8 -46.1 120.9 42.0 -38.8 11.5 408 412 A S S S+ 0 0 111 0, 0.0 2,-1.0 0, 0.0 -2,-0.1 0.483 86.0 72.5 47.6-136.8 41.4 -36.8 9.5 409 413 A E 0 0 41 -2,-0.2 -32,-0.0 -32,-0.0 0, 0.0 0.256 360.0 360.0 10.9 -50.0 41.7 -34.7 12.9 410 414 A I 0 0 72 -2,-1.0 7,-0.1 -7,-0.1 11,-0.0 -0.564 360.0 360.0-161.2 360.0 45.5 -35.0 13.1 411 ! 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 0.0 412 419 A L 0 0 227 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.8 52.0 -42.9 11.6 413 420 A D > - 0 0 86 1,-0.1 4,-1.8 0, 0.0 3,-0.1 -0.994 360.0-148.8-120.3 127.9 54.2 -42.1 14.7 414 421 A F H > S+ 0 0 112 -2,-0.4 4,-2.0 1,-0.2 5,-0.1 0.850 94.2 53.9 -60.9 -44.0 52.6 -42.7 18.2 415 422 A G H > S+ 0 0 45 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.905 113.3 42.0 -59.2 -44.7 54.6 -39.9 20.0 416 423 A R H > S+ 0 0 157 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.820 110.8 55.5 -71.3 -36.5 53.4 -37.2 17.5 417 424 A A H X S+ 0 0 13 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.914 105.5 54.2 -62.7 -42.5 49.8 -38.5 17.3 418 425 A K H X S+ 0 0 46 -4,-2.0 4,-3.2 1,-0.2 5,-0.2 0.909 108.9 47.7 -53.7 -55.1 49.6 -38.2 21.2 419 426 A V H X S+ 0 0 75 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.914 109.2 53.7 -51.0 -48.1 50.7 -34.6 21.0 420 427 A M H X S+ 0 0 55 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.935 114.1 42.3 -60.7 -36.1 48.2 -33.9 18.3 421 428 A Y H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.947 113.6 49.4 -78.9 -46.6 45.4 -35.4 20.5 422 429 A M H X S+ 0 0 2 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.870 110.2 53.7 -52.4 -40.0 46.4 -33.7 23.8 423 430 A D H X S+ 0 0 79 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.851 103.5 54.3 -70.1 -35.6 46.6 -30.3 21.8 424 431 A I H < S+ 0 0 17 -4,-1.5 4,-0.4 -5,-0.2 3,-0.2 0.928 111.4 47.3 -55.0 -45.2 43.0 -30.7 20.6 425 432 A A H >< S+ 0 0 2 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.923 107.1 55.5 -64.3 -47.7 42.0 -31.2 24.3 426 433 A K H >< S+ 0 0 111 -4,-2.6 3,-1.9 1,-0.3 4,-0.5 0.777 91.2 73.2 -53.5 -33.8 44.1 -28.1 25.4 427 434 A E T 3< S+ 0 0 143 -4,-1.5 4,-0.3 1,-0.3 -1,-0.3 0.784 99.1 49.5 -47.5 -31.6 42.2 -25.9 22.9 428 435 A H T <> S+ 0 0 47 -3,-1.8 4,-1.4 -4,-0.4 -1,-0.3 0.532 83.6 92.9 -91.2 -4.1 39.2 -26.3 25.4 429 436 A Y H <> S+ 0 0 69 -3,-1.9 4,-2.4 1,-0.2 3,-0.4 0.896 84.6 49.7 -57.3 -44.3 41.2 -25.3 28.5 430 437 A S H > S+ 0 0 62 -4,-0.5 4,-2.2 -3,-0.3 -1,-0.2 0.939 108.4 51.8 -65.3 -44.6 40.3 -21.6 28.4 431 438 A A H 4 S+ 0 0 46 -4,-0.3 -103,-0.3 1,-0.2 -1,-0.2 0.776 113.9 45.9 -58.9 -30.9 36.6 -22.2 27.9 432 439 A F H < S+ 0 0 3 -4,-1.4 4,-0.3 -3,-0.4 -2,-0.2 0.868 118.6 40.3 -77.6 -37.9 36.6 -24.5 31.0 433 440 A Y H >< S+ 0 0 38 -4,-2.4 3,-1.8 -5,-0.2 4,-0.2 0.919 99.4 66.0 -82.5 -45.7 38.7 -22.2 33.2 434 441 A K T >X S+ 0 0 112 -4,-2.2 4,-2.8 1,-0.3 3,-1.7 0.748 95.5 56.9 -56.7 -39.5 37.4 -18.6 32.6 435 442 A P H 3> S+ 0 0 18 0, 0.0 4,-2.4 0, 0.0 5,-0.4 0.810 91.5 71.9 -66.7 -21.8 34.0 -19.0 34.1 436 443 A L H <4 S+ 0 0 0 -3,-1.8 -2,-0.2 -4,-0.3 -88,-0.1 0.533 116.8 23.2 -70.1 -7.1 35.5 -20.2 37.4 437 444 A V H X>>S+ 0 0 17 -3,-1.7 5,-2.3 -4,-0.2 4,-2.1 0.596 126.3 49.2-112.4 -50.4 36.5 -16.5 37.8 438 445 A E H 3<5S+ 0 0 86 -4,-2.8 7,-1.4 1,-0.3 6,-1.3 0.807 118.8 36.7 -61.2 -39.4 34.0 -14.7 35.5 439 446 A E T 3<5S+ 0 0 58 -4,-2.4 -1,-0.3 5,-0.2 -3,-0.1 0.532 122.3 47.3 -92.8 -1.0 30.9 -16.4 36.8 440 447 A I T <45S- 0 0 0 -3,-1.1 -2,-0.2 -5,-0.4 -124,-0.2 0.863 139.6 -12.6-106.0 -63.7 32.2 -16.5 40.5 441 448 A S T <5S+ 0 0 1 -4,-2.1 -3,-0.2 -126,-0.1 -2,-0.1 0.483 118.0 87.9-111.5 -7.5 33.5 -13.0 41.3 442 449 A G S >> S+ 0 0 22 0, 0.0 4,-2.1 0, 0.0 -4,-0.1 0.776 128.7 57.0 -59.1 -32.1 31.4 -9.6 35.4 444 451 A G H 3> S+ 0 0 11 -6,-1.3 4,-1.8 2,-0.2 -5,-0.2 0.875 109.6 44.9 -62.9 -38.1 29.1 -12.6 35.0 445 452 A A H <> S+ 0 0 0 -7,-1.4 4,-2.7 -3,-0.7 -1,-0.1 0.922 113.6 49.9 -73.3 -41.2 28.4 -12.8 38.9 446 453 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 -8,-0.3 5,-0.2 0.939 106.2 55.0 -63.5 -52.9 27.9 -9.0 39.1 447 454 A Y H X>S+ 0 0 46 -4,-2.1 5,-2.6 1,-0.2 4,-0.7 0.918 113.6 42.1 -40.2 -57.8 25.5 -9.0 36.2 448 455 A N H ><5S+ 0 0 71 -4,-1.8 3,-0.9 3,-0.2 -2,-0.2 0.905 110.9 56.3 -59.1 -39.6 23.4 -11.6 38.0 449 456 A A H 3<5S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.905 111.4 44.5 -62.3 -35.4 23.9 -9.8 41.3 450 457 A L H 3<5S- 0 0 5 -4,-2.4 -336,-1.9 -3,-0.2 -335,-0.3 0.494 141.8 -62.0 -90.4 -5.8 22.4 -6.6 39.7 451 458 A G T >< - 0 0 5 -5,-2.6 3,-1.3 1,-0.2 4,-1.0 0.076 50.2 -29.0 73.2-177.1 20.6 -10.8 35.4 453 460 A A H 34 S+ 0 0 58 1,-0.3 -1,-0.2 2,-0.2 -167,-0.1 0.647 131.7 41.4 -50.4 -34.0 19.6 -11.8 31.9 454 461 A S H 34 S+ 0 0 107 -3,-0.3 3,-0.3 1,-0.2 -1,-0.3 0.631 106.2 58.5-100.6 -19.7 15.9 -10.8 32.0 455 462 A N H << S+ 0 0 61 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.706 116.7 40.2 -67.4 -20.6 16.1 -7.5 33.9 456 463 A F S < S+ 0 0 5 -4,-1.0 -170,-2.8 -5,-0.1 2,-0.4 0.168 98.4 81.9-123.9 12.8 18.4 -6.4 31.1 457 464 A T E +J 285 0C 50 -3,-0.3 2,-0.3 -172,-0.2 -172,-0.2 -0.988 46.1 150.7-127.4 132.6 16.9 -7.8 27.9 458 465 A T E -J 284 0C 40 -174,-1.9 -174,-2.8 -2,-0.4 2,-0.2 -0.948 53.8 -71.6-145.8 168.8 14.0 -6.3 25.9 459 466 A T E -J 283 0C 39 -2,-0.3 2,-0.3 -176,-0.3 -176,-0.3 -0.487 57.7-110.7 -65.1 130.0 12.8 -6.1 22.3 460 467 A H + 0 0 39 -178,-2.0 2,-0.4 -2,-0.2 -178,-0.2 -0.521 42.6 173.6 -69.0 122.3 15.1 -3.9 20.3 461 468 A R - 0 0 140 -2,-0.3 2,-0.3 -3,-0.0 10,-0.0 -0.999 14.0-153.5-133.0 128.0 13.4 -0.7 19.2 462 469 A R - 0 0 200 -2,-0.4 -2,-0.0 2,-0.0 0, 0.0 -0.700 22.0 -83.5 -97.6 147.6 15.2 2.2 17.5 463 470 A S - 0 0 104 -2,-0.3 5,-0.0 2,-0.1 4,-0.0 0.445 8.0-145.6 72.7 173.6 14.7 5.9 17.3 464 471 A T S S- 0 0 128 3,-0.0 -1,-0.0 0, 0.0 -2,-0.0 0.324 72.1 -56.6-121.6 143.3 13.5 8.5 16.4 465 472 A G S S+ 0 0 59 2,-0.0 -2,-0.1 -414,-0.0 -417,-0.1 -0.437 110.1 25.5 69.6-149.2 16.0 11.5 16.4 466 473 A P S S- 0 0 26 0, 0.0 2,-0.1 0, 0.0 -419,-0.1 -0.184 88.8-109.3 -55.8 129.6 17.8 12.4 19.7 467 474 A M - 0 0 41 -421,-0.1 -374,-0.1 2,-0.0 -419,-0.1 -0.354 39.7-178.7 -64.9 124.6 18.1 9.5 22.2 468 475 A L - 0 0 17 -2,-0.1 2,-1.8 -376,-0.1 3,-0.3 -0.908 38.1-108.5-119.7 153.5 15.9 9.8 25.3 469 476 A P S S+ 0 0 0 0, 0.0 -2,-0.0 0, 0.0 6,-0.0 -0.492 73.3 124.2 -80.2 73.5 15.7 7.4 28.3 470 477 A T + 0 0 37 -2,-1.8 -363,-0.1 -362,-0.2 -3,-0.0 0.353 64.4 45.0-119.8 -0.1 12.2 6.0 27.5 471 478 A T S > S- 0 0 34 -3,-0.3 4,-2.3 -362,-0.1 5,-0.2 -0.923 94.1-101.2-133.8 165.3 13.0 2.3 27.4 472 479 A P H > S+ 0 0 40 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.899 119.0 46.6 -60.6 -46.4 15.0 0.2 29.8 473 480 A P H > S+ 0 0 4 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.925 113.5 50.2 -62.8 -35.8 18.2 -0.1 27.9 474 481 A R H > S+ 0 0 15 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.920 107.2 55.7 -63.0 -35.5 18.2 3.7 27.1 475 482 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 5,-0.2 0.931 111.9 42.7 -62.3 -40.5 17.6 4.4 30.8 476 483 A L H X S+ 0 0 1 -4,-1.9 4,-2.0 -5,-0.2 5,-0.4 0.883 113.1 52.4 -74.8 -35.5 20.7 2.5 31.5 477 484 A Q H < S+ 0 0 34 -4,-2.8 4,-0.3 -5,-0.2 -2,-0.2 0.867 117.0 38.3 -64.0 -40.9 22.6 4.1 28.6 478 485 A V H < S+ 0 0 1 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.872 131.3 20.8 -78.4 -33.3 21.8 7.6 29.7 479 486 A F H < S+ 0 0 0 -4,-1.8 -218,-2.3 -5,-0.3 -217,-0.5 0.568 122.5 38.6-121.9 -13.7 22.1 7.3 33.5 480 487 A C S < S+ 0 0 0 -4,-2.0 -214,-1.6 -5,-0.2 2,-0.6 0.403 78.5 104.2-126.4 2.5 24.1 4.3 34.7 481 488 A D B > -h 266 0C 2 -5,-0.4 4,-1.0 -4,-0.3 -214,-0.2 -0.815 38.2-175.9 -98.6 111.3 27.2 3.8 32.3 482 489 A A H > S+ 0 0 0 -216,-1.4 4,-1.3 -2,-0.6 6,-0.3 0.579 76.7 64.6 -79.6 -14.0 30.6 4.9 33.8 483 490 A H H 4 S+ 0 0 40 -217,-0.5 5,-0.2 2,-0.2 -1,-0.2 0.971 105.3 41.0 -79.8 -51.1 32.6 4.3 30.6 484 491 A D H 4 S+ 0 0 78 1,-0.2 -2,-0.2 -216,-0.1 -1,-0.1 0.847 121.9 41.6 -62.8 -39.2 31.0 6.8 28.4 485 492 A K H < S+ 0 0 13 -4,-1.0 -1,-0.2 -398,-0.0 -2,-0.2 0.710 107.8 70.1 -84.4 -25.5 30.8 9.5 31.1 486 493 A G S < S- 0 0 0 -4,-1.3 -358,-0.0 2,-0.1 -234,-0.0 -0.338 87.9-113.4 -91.0 174.9 34.2 8.9 32.6 487 494 A P S S+ 0 0 4 0, 0.0 -239,-2.1 0, 0.0 2,-0.3 0.257 81.0 97.4 -96.4 15.6 37.6 9.7 31.1 488 495 A F B -K 247 0D 0 -6,-0.3 2,-0.4 -5,-0.2 -241,-0.2 -0.741 63.7-133.8 -99.7 150.5 38.8 6.1 30.7 489 496 A V + 0 0 59 -243,-2.7 2,-0.4 -2,-0.3 -5,-0.0 -0.892 22.5 176.2-107.1 139.4 38.8 4.0 27.5 490 497 A S + 0 0 15 -2,-0.4 3,-0.1 -245,-0.1 -245,-0.0 -0.997 25.2 170.9-139.8 130.8 37.7 0.4 27.2 491 498 A D + 0 0 126 -2,-0.4 -1,-0.1 1,-0.1 4,-0.1 0.088 59.1 108.2-113.6 15.5 37.3 -1.8 24.2 492 499 A N S S+ 0 0 69 13,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.804 83.1 20.2 -73.1 -31.9 36.8 -4.8 26.7 493 500 A I S S- 0 0 37 1,-0.1 -225,-0.1 -225,-0.1 -204,-0.0 -0.741 101.0 -73.7-122.1 176.9 33.0 -5.2 26.0 494 501 A A - 0 0 9 -2,-0.2 -207,-0.1 1,-0.1 -1,-0.1 -0.341 46.0-116.1 -66.7 152.2 30.7 -4.2 23.1 495 502 A R > - 0 0 212 8,-0.2 -225,-1.6 -226,-0.2 3,-0.7 -0.254 53.2 -66.1 -71.9 173.7 29.7 -0.7 22.6 496 503 A W T 3 S+ 0 0 41 -227,-0.3 -1,-0.2 1,-0.2 -225,-0.1 -0.402 116.5 7.7 -67.0 135.7 26.1 0.2 22.8 497 504 A Q T 3 S+ 0 0 71 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.878 82.2 164.3 59.8 47.8 23.7 -1.2 20.1 498 505 A T E < -i 271 0C 22 -228,-2.7 -226,-2.8 -3,-0.7 -1,-0.2 -0.825 40.2-119.7 -92.9 126.9 26.2 -3.5 18.5 499 506 A N E -i 272 0C 37 -2,-0.5 -226,-0.2 -228,-0.2 -225,-0.1 -0.408 20.1-126.8 -62.8 134.4 24.8 -6.3 16.2 500 507 A V S S+ 0 0 55 -228,-2.7 3,-0.4 1,-0.2 -1,-0.1 0.752 107.2 57.7 -52.9 -27.8 25.8 -9.7 17.5 501 508 A R S S+ 0 0 146 -229,-0.2 2,-1.4 1,-0.2 -1,-0.2 0.985 107.2 43.7 -69.0 -53.7 27.3 -10.6 14.1 502 509 A E S S+ 0 0 111 1,-0.2 -1,-0.2 2,-0.1 -3,-0.2 -0.492 72.4 154.5 -93.6 67.8 29.8 -7.7 13.8 503 510 A L - 0 0 74 -2,-1.4 -8,-0.2 -3,-0.4 -1,-0.2 0.853 30.9-158.2 -76.2 -40.5 31.2 -7.9 17.4 504 511 A G + 0 0 86 1,-0.2 2,-0.4 -10,-0.1 -1,-0.1 0.651 44.3 131.6 74.9 17.3 34.8 -6.3 17.1 505 512 A V 0 0 75 1,-0.0 -1,-0.2 -13,-0.0 -2,-0.1 -0.842 360.0 360.0-112.9 143.4 36.2 -8.0 20.3 506 513 A L 0 0 221 -2,-0.4 -1,-0.0 -14,-0.0 0, 0.0 -0.411 360.0 360.0 -86.9 360.0 39.5 -9.9 20.7