==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-FEB-11 3QSP . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR K.J.GREGG,W.F.ZANDBERG,J.-H.HEHEMANN,G.E.WHITWORTH,L.E.DENG, . 850 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31621.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 70.0 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 . 78 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 . 2 0.2 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 . 42 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 326 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 2 0 0 0 2 2 2 0 0 2 4 0 2 2 2 0 2 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 10 8 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 . 8 6 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 1 A M 0 0 184 0, 0.0 3,-0.1 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0 94.8 -0.7 -26.6 28.4 2 2 A V - 0 0 23 1,-0.3 82,-0.3 39,-0.1 2,-0.3 0.721 360.0 -3.1-102.7 -25.0 -1.7 -22.9 28.5 3 3 A Y S S- 0 0 37 81,-0.1 2,-0.6 78,-0.1 -1,-0.3 -0.930 74.9 -95.3-156.0 173.2 -5.5 -23.3 28.3 4 4 A S > - 0 0 33 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.888 25.3-158.4-100.9 115.7 -8.3 -25.8 28.0 5 5 A K H > S+ 0 0 156 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.903 91.2 54.8 -62.5 -37.6 -9.4 -26.1 24.3 6 6 A E H > S+ 0 0 160 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.879 111.2 41.2 -64.0 -44.1 -12.8 -27.4 25.3 7 7 A I H > S+ 0 0 54 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 116.0 50.0 -72.4 -42.6 -13.7 -24.6 27.6 8 8 A V H X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.930 109.9 50.1 -63.5 -45.5 -12.4 -21.9 25.3 9 9 A R H X S+ 0 0 92 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.907 110.9 50.4 -56.5 -41.7 -14.2 -23.3 22.3 10 10 A E H X S+ 0 0 106 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.924 110.2 48.5 -63.4 -43.9 -17.5 -23.4 24.3 11 11 A W H X S+ 0 0 21 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.937 112.1 50.5 -61.0 -44.2 -17.1 -19.7 25.4 12 12 A L H X S+ 0 0 4 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.901 106.7 53.6 -59.9 -41.9 -16.4 -18.8 21.8 13 13 A D H X S+ 0 0 83 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.923 109.8 49.1 -57.2 -44.3 -19.5 -20.6 20.7 14 14 A E H X S+ 0 0 80 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.886 112.5 46.8 -64.9 -40.2 -21.4 -18.5 23.2 15 15 A V H X S+ 0 0 15 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.946 111.5 51.2 -64.0 -45.4 -19.8 -15.3 22.0 16 16 A A H < S+ 0 0 23 -4,-3.3 -2,-0.2 2,-0.2 6,-0.2 0.823 109.4 51.1 -61.2 -33.4 -20.5 -16.3 18.3 17 17 A E H >< S+ 0 0 120 -4,-2.0 3,-1.6 -5,-0.2 -1,-0.2 0.936 108.7 50.3 -71.4 -48.7 -24.2 -17.0 19.2 18 18 A R H 3< S+ 0 0 182 -4,-2.2 3,-0.3 1,-0.3 -2,-0.2 0.851 119.4 39.0 -51.5 -36.9 -24.5 -13.6 20.9 19 19 A A T >< S+ 0 0 2 -4,-2.0 3,-2.3 1,-0.2 7,-0.3 0.065 77.5 127.6-104.0 27.0 -22.9 -12.0 17.7 20 20 A K T < + 0 0 128 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.694 66.4 60.1 -61.4 -23.9 -24.7 -14.2 15.2 21 21 A D T 3 S+ 0 0 126 -3,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.596 103.7 55.7 -78.2 -11.6 -26.1 -11.3 13.1 22 22 A Y X> + 0 0 62 -3,-2.3 4,-1.9 -6,-0.2 3,-0.8 -0.595 57.7 163.9-120.7 71.1 -22.5 -10.2 12.4 23 23 A P H 3> S+ 0 0 86 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.835 77.6 60.4 -58.9 -30.8 -20.6 -13.1 10.9 24 24 A E H 3> S+ 0 0 134 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.877 105.6 47.0 -64.1 -37.8 -17.9 -10.8 9.7 25 25 A W H <> S+ 0 0 2 -3,-0.8 4,-3.0 -6,-0.2 -1,-0.2 0.928 110.4 53.6 -62.5 -45.9 -17.1 -9.8 13.3 26 26 A V H X S+ 0 0 19 -4,-1.9 4,-2.9 -7,-0.3 5,-0.3 0.913 105.8 50.5 -59.5 -49.0 -17.1 -13.4 14.5 27 27 A D H X S+ 0 0 93 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.923 116.1 42.4 -58.1 -44.1 -14.6 -14.7 11.9 28 28 A V H X S+ 0 0 6 -4,-1.3 4,-2.6 -5,-0.2 5,-0.3 0.913 113.4 52.6 -68.0 -42.9 -12.2 -11.8 12.9 29 29 A F H X S+ 0 0 5 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.945 112.4 44.5 -58.2 -49.1 -12.8 -12.2 16.6 30 30 A E H X S+ 0 0 39 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.897 113.3 50.6 -65.0 -40.3 -12.0 -16.0 16.5 31 31 A R H X S+ 0 0 107 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.937 116.8 40.3 -63.3 -46.5 -9.0 -15.6 14.4 32 32 A C H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.912 116.7 48.8 -67.2 -46.1 -7.5 -12.9 16.7 33 33 A Y H X S+ 0 0 0 -4,-3.2 4,-1.1 -5,-0.3 -2,-0.2 0.903 115.4 43.9 -64.8 -41.7 -8.6 -14.6 19.9 34 34 A T H X S+ 0 0 54 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.900 107.7 59.3 -69.5 -41.0 -7.1 -17.9 18.8 35 35 A D H X S+ 0 0 26 -4,-2.1 4,-2.6 -5,-0.3 5,-0.3 0.903 103.3 50.7 -56.0 -44.5 -3.9 -16.5 17.5 36 36 A T H X>S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 5,-0.7 0.934 114.1 44.3 -62.0 -48.4 -2.8 -14.9 20.8 37 37 A L H <5S+ 0 0 5 -4,-1.1 4,-0.3 1,-0.2 -1,-0.2 0.859 122.3 35.1 -65.4 -42.9 -3.3 -18.1 22.7 38 38 A D H <5S+ 0 0 73 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.790 129.6 27.2 -86.3 -26.3 -1.6 -20.5 20.3 39 39 A N H <5S+ 0 0 106 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.511 121.6 37.5-118.7 -6.3 1.1 -18.3 18.9 40 40 A T T <5S+ 0 0 4 -4,-1.8 12,-3.0 -5,-0.3 2,-0.4 0.589 97.6 78.2-120.9 -15.0 2.2 -15.6 21.4 41 41 A V E < +A 51 0A 14 -5,-0.7 2,-0.3 -4,-0.3 10,-0.2 -0.810 48.4 169.9-106.5 130.9 2.1 -17.4 24.8 42 42 A E E -A 50 0A 85 8,-2.7 8,-3.1 -2,-0.4 2,-0.5 -0.977 29.1-133.4-145.5 139.6 4.6 -19.9 26.3 43 43 A I E -A 49 0A 66 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.724 30.4-145.4 -85.8 125.3 5.1 -21.4 29.7 44 44 A L > - 0 0 35 4,-3.0 3,-2.4 -2,-0.5 -1,-0.0 -0.301 30.4 -91.1 -84.4 171.0 8.7 -21.3 30.8 45 45 A E T 3 S+ 0 0 214 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.847 126.7 52.2 -41.9 -45.4 10.9 -23.8 32.9 46 46 A D T 3 S- 0 0 105 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.389 121.3-106.4 -83.0 6.4 9.9 -22.0 36.1 47 47 A G S < S+ 0 0 46 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.1 0.439 80.0 127.7 83.5 -0.6 6.2 -22.2 35.3 48 48 A S - 0 0 5 42,-0.1 -4,-3.0 -5,-0.1 2,-0.5 -0.344 59.7-113.1 -81.9 173.1 5.9 -18.5 34.5 49 49 A T E -A 43 0A 0 38,-1.6 2,-0.5 -6,-0.2 -6,-0.2 -0.924 20.9-165.0-113.6 121.7 4.4 -17.1 31.2 50 50 A F E -A 42 0A 7 -8,-3.1 -8,-2.7 -2,-0.5 2,-0.5 -0.904 9.9-167.3-102.2 134.0 6.3 -15.3 28.5 51 51 A V E -A 41 0A 0 -2,-0.5 9,-0.3 -10,-0.2 -10,-0.2 -0.974 5.3-153.8-125.4 116.1 4.2 -13.5 26.0 52 52 A L - 0 0 40 -12,-3.0 7,-0.2 -2,-0.5 3,-0.1 -0.568 20.0-125.1 -89.3 159.0 5.6 -12.2 22.7 53 53 A T - 0 0 1 5,-2.0 356,-2.0 3,-0.9 357,-0.5 0.678 48.8-108.9 -73.1 -17.4 4.1 -9.2 20.8 54 54 A G B S+B 408 0B 20 2,-0.5 354,-0.2 354,-0.2 -1,-0.2 -0.990 98.3 20.8 117.9-125.6 3.7 -10.9 17.4 55 55 A D S S+ 0 0 71 352,-2.8 353,-0.1 -2,-0.5 351,-0.1 0.395 115.6 70.2 -72.0 3.6 6.0 -9.9 14.6 56 56 A I S S- 0 0 50 351,-0.2 2,-2.7 2,-0.2 -3,-0.9 -0.988 86.2-138.9-113.1 116.7 8.6 -8.4 17.1 57 57 A P + 0 0 84 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.278 69.7 80.0 -81.3 58.3 10.1 -11.5 18.8 58 58 A A S S- 0 0 0 -2,-2.7 -5,-2.0 48,-0.1 2,-0.5 -0.947 78.4-102.1-151.0 169.4 10.2 -10.0 22.4 59 59 A M E -C 105 0C 0 46,-3.0 46,-2.8 -2,-0.3 2,-0.4 -0.873 24.6-162.4-104.1 122.2 7.9 -9.3 25.4 60 60 A W E > -C 104 0C 8 -2,-0.5 4,-2.4 -9,-0.3 5,-0.3 -0.855 19.7-142.7 -94.5 137.6 6.6 -5.9 26.1 61 61 A L H > S+ 0 0 0 42,-1.9 4,-1.3 -2,-0.4 -1,-0.1 0.938 106.7 45.7 -60.2 -40.6 5.2 -5.2 29.7 62 62 A R H > S+ 0 0 2 41,-0.4 4,-1.8 2,-0.2 3,-0.4 0.980 116.3 40.3 -61.5 -65.0 2.5 -3.1 27.8 63 63 A D H > S+ 0 0 6 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.914 111.0 57.4 -56.0 -48.2 1.6 -5.5 25.0 64 64 A S H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.854 108.9 46.5 -57.7 -35.8 1.7 -8.6 27.2 65 65 A T H X S+ 0 0 1 -4,-1.3 4,-1.5 -3,-0.4 -1,-0.2 0.942 115.2 43.8 -67.7 -51.5 -1.0 -7.2 29.6 66 66 A A H < S+ 0 0 9 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.798 110.9 58.2 -65.1 -31.7 -3.3 -5.9 26.9 67 67 A Q H < S+ 0 0 0 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.886 115.2 33.0 -62.7 -43.6 -2.8 -9.2 25.0 68 68 A L H >< S+ 0 0 0 -4,-1.5 3,-1.8 -5,-0.2 4,-0.4 0.601 94.8 89.8 -94.0 -11.7 -4.1 -11.4 27.9 69 69 A R G >< S+ 0 0 46 -4,-1.5 3,-1.9 1,-0.3 4,-0.2 0.885 82.5 55.0 -55.9 -46.2 -6.6 -9.0 29.4 70 70 A P G > S+ 0 0 0 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.574 96.4 69.0 -65.9 -6.4 -9.6 -10.2 27.3 71 71 A Y G <> S+ 0 0 0 -3,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.599 74.9 86.3 -88.0 -8.4 -9.0 -13.8 28.5 72 72 A L G <4 S+ 0 0 5 -3,-1.9 4,-0.4 -4,-0.4 -1,-0.2 0.815 83.5 57.2 -58.5 -33.2 -10.1 -12.8 32.0 73 73 A H T X4 S+ 0 0 34 -3,-0.5 3,-1.2 -4,-0.2 -1,-0.2 0.960 113.6 36.5 -63.7 -51.2 -13.7 -13.5 31.1 74 74 A V G >> S+ 0 0 0 -4,-0.4 4,-3.0 1,-0.2 3,-2.2 0.792 104.5 72.5 -74.1 -23.3 -13.1 -17.1 30.1 75 75 A A G 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 7,-0.2 0.637 84.5 68.6 -65.8 -12.7 -10.5 -17.5 32.9 76 76 A K G <4 S+ 0 0 104 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.670 115.5 26.3 -72.9 -20.0 -13.5 -17.4 35.3 77 77 A R T <4 S+ 0 0 109 -3,-2.2 2,-1.0 -4,-0.2 -2,-0.2 0.683 115.6 64.9-108.0 -37.5 -14.3 -20.9 33.8 78 78 A D X - 0 0 2 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 -0.779 57.6-177.9-100.6 95.5 -10.9 -22.1 32.7 79 79 A A H > S+ 0 0 65 -2,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.748 82.3 57.8 -63.1 -27.7 -8.7 -22.5 35.8 80 80 A L H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.919 107.9 45.0 -70.1 -43.7 -5.7 -23.6 33.7 81 81 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.848 108.2 58.7 -68.9 -32.1 -5.8 -20.3 31.7 82 82 A R H X S+ 0 0 72 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.956 107.3 47.3 -58.9 -46.7 -6.3 -18.4 35.1 83 83 A Q H X S+ 0 0 96 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.936 109.2 54.5 -57.3 -48.4 -3.0 -20.0 36.2 84 84 A T H X S+ 0 0 7 -4,-2.3 4,-1.1 -82,-0.3 -2,-0.2 0.900 109.4 46.6 -52.5 -45.1 -1.4 -19.0 32.9 85 85 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 3,-0.5 0.900 110.0 53.1 -68.6 -39.1 -2.4 -15.4 33.4 86 86 A A H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.878 106.7 54.3 -61.8 -33.7 -1.1 -15.5 37.0 87 87 A G H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -38,-1.6 0.782 103.3 56.0 -67.4 -27.7 2.2 -16.8 35.5 88 88 A L H X S+ 0 0 0 -4,-1.1 4,-3.3 -3,-0.5 -2,-0.2 0.929 106.9 48.2 -71.2 -44.3 2.3 -13.7 33.2 89 89 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.932 111.8 51.6 -54.7 -46.6 2.1 -11.4 36.2 90 90 A K H X S+ 0 0 72 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.924 112.1 44.9 -60.5 -44.6 4.8 -13.4 37.8 91 91 A R H X S+ 0 0 10 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.940 113.3 51.3 -64.5 -43.9 7.0 -13.1 34.7 92 92 A Q H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.942 111.5 45.3 -58.9 -50.6 6.3 -9.3 34.4 93 93 A M H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.891 111.4 53.2 -63.8 -39.4 7.2 -8.6 38.0 94 94 A T H X S+ 0 0 29 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.921 110.8 47.6 -58.5 -46.5 10.3 -10.7 37.8 95 95 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.867 105.7 57.7 -64.6 -38.0 11.4 -8.7 34.7 96 96 A V H < S+ 0 0 0 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.921 107.3 49.2 -54.8 -41.3 10.6 -5.4 36.5 97 97 A L H < S+ 0 0 60 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.870 106.0 57.5 -69.1 -34.0 13.2 -6.5 39.1 98 98 A K H < S- 0 0 78 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.932 138.4 -19.3 -56.1 -50.5 15.6 -7.3 36.3 99 99 A D >< - 0 0 17 -4,-2.3 3,-1.3 3,-0.1 -1,-0.2 -0.700 55.6-165.7-162.7 108.3 15.3 -3.7 35.0 100 100 A P T 3 S+ 0 0 17 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.589 89.6 60.6 -77.9 -6.6 12.5 -1.4 36.0 101 101 A Y T 3 S+ 0 0 18 -5,-0.1 2,-0.3 30,-0.1 31,-0.1 0.490 84.8 98.0 -89.1 -8.0 13.5 1.1 33.3 102 102 A A < - 0 0 0 -3,-1.3 27,-0.2 -7,-0.2 29,-0.1 -0.627 50.3-167.1 -90.9 140.9 13.0 -1.3 30.3 103 103 A N S S+ 0 0 0 25,-0.6 -42,-1.9 -2,-0.3 -41,-0.4 0.718 76.6 38.1 -83.9 -25.3 9.9 -1.5 28.1 104 104 A S E -CD 60 128C 0 24,-1.2 23,-2.0 -44,-0.2 24,-0.7 -0.964 64.8-169.0-142.3 143.7 10.8 -4.8 26.4 105 105 A F E -CD 59 126C 0 -46,-2.8 -46,-3.0 -2,-0.3 21,-0.3 -0.946 18.6-121.3-140.3 151.7 12.5 -8.1 27.4 106 106 A N - 0 0 3 19,-3.0 -48,-0.1 -2,-0.3 21,-0.1 -0.431 32.1-112.4 -85.9 162.2 13.9 -11.4 26.1 107 107 A I S S- 0 0 48 -2,-0.1 2,-0.2 -57,-0.1 -1,-0.1 0.790 98.5 -7.8 -64.7 -31.4 12.8 -14.9 26.9 108 108 A E S S- 0 0 121 16,-0.2 2,-2.1 17,-0.0 3,-0.3 -0.859 100.2 -64.6-150.8-176.9 16.1 -15.5 28.7 109 109 A E S S+ 0 0 117 -2,-0.2 16,-0.3 1,-0.2 15,-0.1 -0.506 83.2 125.8 -79.3 79.2 19.4 -13.7 29.3 110 110 A N S S- 0 0 44 -2,-2.1 -1,-0.2 14,-1.2 15,-0.2 0.468 70.0-123.0-122.6 -6.0 20.5 -13.9 25.7 111 111 A W + 0 0 114 13,-2.2 4,-0.2 -3,-0.3 14,-0.1 0.725 53.8 154.6 64.5 21.9 21.3 -10.3 24.5 112 112 A K + 0 0 122 12,-0.5 2,-0.3 2,-0.1 -1,-0.2 -0.455 43.2 34.9 -67.5 154.5 18.8 -10.3 21.7 113 113 A G S S- 0 0 35 1,-0.1 3,-0.4 -2,-0.1 15,-0.2 -0.758 109.6 -20.3 105.6-147.2 17.6 -6.8 20.7 114 114 A H S >> S+ 0 0 61 13,-3.0 3,-1.3 -2,-0.3 4,-1.0 0.153 78.7 118.7-100.0 17.2 19.1 -3.4 20.5 115 115 A H G >4 + 0 0 70 1,-0.2 3,-0.6 11,-0.2 -1,-0.2 0.843 69.8 64.1 -55.8 -33.8 22.2 -3.4 22.8 116 116 A E G 34 S+ 0 0 174 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.742 113.1 31.5 -65.4 -28.6 24.7 -2.6 19.9 117 117 A T G <4 S+ 0 0 41 -3,-1.3 70,-2.5 69,-0.0 2,-0.5 0.520 104.3 93.7 -99.6 -12.3 23.2 0.8 19.2 118 118 A D E << -E 186 0D 10 -4,-1.0 2,-0.8 -3,-0.6 68,-0.2 -0.762 53.0-163.8-104.9 127.1 22.1 1.6 22.7 119 119 A H E +E 185 0D 116 66,-2.9 66,-1.0 -2,-0.5 2,-0.3 -0.850 53.1 88.0-111.3 96.3 24.1 3.6 25.3 120 120 A T S S- 0 0 28 -2,-0.8 2,-0.5 64,-0.2 64,-0.1 -0.898 90.9 -60.3-169.9 170.1 22.6 3.0 28.8 121 121 A D + 0 0 117 -2,-0.3 2,-0.3 62,-0.3 -2,-0.1 -0.623 68.8 179.2 -69.4 122.8 23.0 0.4 31.6 122 122 A L - 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0 0 33 4,-2.3 3,-2.8 -2,-0.4 -1,-0.0 -0.521 32.1 -95.7 -91.2 167.2 14.4 65.2 7.2 472 45 B E T 3 S+ 0 0 212 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.855 124.9 59.0 -52.6 -36.3 16.9 68.0 6.4 473 46 B D T 3 S- 0 0 102 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.418 118.4-110.4 -72.3 1.5 18.1 65.9 3.4 474 47 B G S < S+ 0 0 46 -3,-2.8 -2,-0.1 1,-0.3 40,-0.1 0.367 80.0 124.1 84.1 -8.4 14.6 65.9 1.9 475 48 B S - 0 0 6 42,-0.1 -4,-2.3 -5,-0.1 2,-0.5 -0.197 61.4-110.5 -75.2 174.2 14.1 62.1 2.5 476 49 B T E -M 470 0J 0 38,-2.0 2,-0.4 -6,-0.2 -6,-0.2 -0.947 20.2-162.6-120.6 127.3 11.2 60.8 4.6 477 50 B F E -M 469 0J 7 -8,-3.4 -8,-3.0 -2,-0.5 2,-0.4 -0.890 10.1-174.0-103.5 133.8 11.2 59.2 8.0 478 51 B V E -M 468 0J 0 -2,-0.4 9,-0.3 -10,-0.2 -10,-0.2 -0.972 7.2-157.8-131.1 115.7 8.1 57.2 9.1 479 52 B L - 0 0 37 -12,-2.4 7,-0.2 -2,-0.4 3,-0.1 -0.545 24.2-119.1 -92.9 164.3 7.7 55.7 12.6 480 53 B T - 0 0 1 5,-1.8 356,-2.0 3,-0.9 357,-0.5 0.687 49.6-104.7 -77.0 -19.3 5.4 52.7 13.4 481 54 B G B S+N 835 0K 20 2,-0.6 354,-0.2 354,-0.2 -1,-0.2 -0.991 100.9 18.3 123.9-122.9 3.0 54.4 15.9 482 55 B D S S+ 0 0 70 352,-3.3 353,-0.1 -2,-0.4 351,-0.1 0.334 116.7 70.2 -78.4 8.1 3.5 53.5 19.5 483 56 B I S S- 0 0 50 351,-0.2 2,-2.2 2,-0.2 -3,-0.9 -0.992 85.3-138.3-113.0 119.8 7.1 52.3 18.9 484 57 B P + 0 0 92 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.300 69.7 79.7 -81.7 58.5 9.3 55.4 18.1 485 58 B A S S- 0 0 0 -2,-2.2 -5,-1.8 48,-0.1 2,-0.5 -0.935 79.1-103.0-150.9 170.8 11.4 53.9 15.3 486 59 B M E -O 532 0L 0 46,-2.9 46,-2.5 -2,-0.3 2,-0.4 -0.887 25.6-161.2-107.1 122.1 11.0 53.1 11.5 487 60 B W E > -O 531 0L 5 -2,-0.5 4,-2.3 -9,-0.3 5,-0.3 -0.845 19.3-139.7 -95.9 140.1 10.4 49.6 10.3 488 61 B L H > S+ 0 0 0 42,-1.8 4,-1.2 -2,-0.4 5,-0.1 0.918 106.3 43.2 -60.7 -37.9 11.2 48.9 6.6 489 62 B R H > S+ 0 0 1 41,-0.4 4,-2.0 2,-0.2 3,-0.4 0.992 115.4 44.1 -69.4 -63.8 8.0 46.7 6.6 490 63 B D H > S+ 0 0 6 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.906 110.7 55.7 -50.1 -47.8 5.7 49.0 8.5 491 64 B S H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.872 109.1 46.7 -60.4 -39.6 6.8 52.2 6.6 492 65 B T H X S+ 0 0 1 -4,-1.2 4,-1.7 -3,-0.4 -1,-0.2 0.958 116.1 43.9 -63.1 -49.1 6.0 50.6 3.2 493 66 B A H < S+ 0 0 7 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.839 111.6 56.3 -69.1 -33.4 2.6 49.3 4.3 494 67 B Q H < S+ 0 0 0 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.879 115.9 33.9 -59.3 -46.2 1.8 52.6 6.1 495 68 B L H >< S+ 0 0 1 -4,-1.8 3,-1.7 -5,-0.2 4,-0.4 0.636 94.7 88.9 -93.3 -12.7 2.4 54.8 3.0 496 69 B R G >< S+ 0 0 42 -4,-1.7 3,-1.8 1,-0.3 4,-0.3 0.859 82.7 55.8 -53.7 -44.0 1.0 52.4 0.3 497 70 B P G > S+ 0 0 0 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.639 96.5 67.4 -72.0 -8.5 -2.6 53.5 0.5 498 71 B Y G <> S+ 0 0 0 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.601 74.4 87.8 -81.6 -11.0 -1.6 57.1 -0.2 499 72 B L H <> S+ 0 0 4 -3,-1.8 4,-0.5 -4,-0.4 -1,-0.2 0.823 82.4 59.5 -56.1 -33.5 -0.5 56.1 -3.8 500 73 B H H X4 S+ 0 0 21 -3,-0.5 3,-1.4 -4,-0.3 4,-0.2 0.990 112.3 36.0 -56.9 -55.2 -4.1 56.8 -5.0 501 74 B V H >> S+ 0 0 0 -4,-0.4 4,-2.5 1,-0.3 3,-2.4 0.799 104.5 73.0 -75.0 -24.0 -4.1 60.4 -3.9 502 75 B A H 3< S+ 0 0 1 -4,-2.4 -1,-0.3 1,-0.3 7,-0.2 0.649 84.8 68.2 -61.3 -15.4 -0.4 60.7 -4.8 503 76 B K T << S+ 0 0 119 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.735 114.6 27.4 -70.5 -22.4 -1.6 60.7 -8.4 504 77 B R T <4 S+ 0 0 112 -3,-2.4 2,-1.0 -4,-0.2 -2,-0.2 0.750 114.5 65.5-104.6 -35.3 -3.2 64.1 -7.6 505 78 B D X - 0 0 3 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 -0.773 57.4-173.9-102.5 93.3 -0.9 65.4 -4.9 506 79 B A H > S+ 0 0 70 -2,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.820 85.4 54.2 -56.2 -34.8 2.6 66.0 -6.3 507 80 B L H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.950 109.1 46.3 -65.1 -48.9 4.0 66.8 -2.8 508 81 B L H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.890 109.4 56.3 -62.6 -36.7 2.7 63.6 -1.3 509 82 B R H X S+ 0 0 71 -4,-2.4 4,-2.0 -7,-0.2 -1,-0.2 0.932 108.7 46.6 -54.1 -48.7 4.1 61.8 -4.3 510 83 B Q H X S+ 0 0 93 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.889 108.2 56.4 -61.2 -41.5 7.6 63.4 -3.5 511 84 B T H X S+ 0 0 5 -4,-2.6 4,-1.0 -82,-0.3 -1,-0.2 0.890 108.6 47.4 -57.1 -39.2 7.2 62.4 0.2 512 85 B I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 3,-0.2 0.890 110.3 50.7 -71.1 -38.5 6.7 58.8 -0.9 513 86 B A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.895 108.9 53.9 -62.6 -40.1 9.7 58.9 -3.2 514 87 B G H X S+ 0 0 2 -4,-2.6 -38,-2.0 2,-0.2 4,-1.9 0.765 103.5 55.6 -63.7 -28.8 11.6 60.3 -0.2 515 88 B L H X S+ 0 0 0 -4,-1.0 4,-3.0 -3,-0.2 -2,-0.2 0.934 107.0 49.1 -69.7 -45.4 10.5 57.3 1.9 516 89 B V H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.927 111.2 51.4 -55.1 -43.9 12.0 54.9 -0.7 517 90 B K H X S+ 0 0 50 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.902 111.3 45.8 -64.9 -40.0 15.2 57.0 -0.6 518 91 B R H X S+ 0 0 8 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.919 112.9 51.5 -66.7 -45.4 15.3 56.8 3.2 519 92 B Q H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.926 111.6 45.1 -55.7 -49.7 14.6 53.1 3.1 520 93 B M H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.835 112.3 52.4 -68.3 -35.1 17.4 52.3 0.6 521 94 B T H X S+ 0 0 25 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.939 111.2 47.4 -62.5 -45.3 19.8 54.6 2.6 522 95 B L H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.895 106.4 56.4 -67.0 -37.3 19.0 52.7 5.7 523 96 B V H < S+ 0 0 0 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.909 106.8 51.8 -56.1 -41.5 19.5 49.3 3.9 524 97 B L H < S+ 0 0 69 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.879 103.8 57.7 -63.3 -37.1 23.0 50.6 3.0 525 98 B K H < S- 0 0 72 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.832 138.5 -20.0 -57.8 -39.8 23.5 51.3 6.8 526 99 B D >< - 0 0 11 -4,-1.6 3,-1.0 -3,-0.3 -1,-0.3 -0.627 55.4-163.2-170.5 109.7 22.8 47.6 7.7 527 100 B P T 3 S+ 0 0 25 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.533 91.1 60.8 -79.2 -3.3 20.9 45.3 5.3 528 101 B Y T 3 S+ 0 0 14 -5,-0.1 2,-0.3 30,-0.1 31,-0.1 0.543 84.5 95.8 -91.8 -14.2 20.3 42.9 8.2 529 102 B A < - 0 0 1 -3,-1.0 27,-0.2 -7,-0.2 29,-0.1 -0.598 52.0-165.2 -89.2 140.5 18.3 45.3 10.4 530 103 B N S S+ 0 0 0 25,-0.6 -42,-1.8 -2,-0.3 -41,-0.4 0.661 75.8 37.3 -87.6 -19.8 14.5 45.4 10.5 531 104 B S E -OP 487 555L 0 24,-1.2 23,-2.0 -44,-0.2 24,-0.6 -0.981 63.1-171.2-146.4 145.2 14.3 48.8 12.3 532 105 B F E -OP 486 553L 0 -46,-2.5 -46,-2.9 -2,-0.3 21,-0.2 -0.932 19.5-121.9-142.1 154.2 16.1 52.1 12.4 533 106 B N - 0 0 4 19,-2.6 -48,-0.1 -2,-0.3 21,-0.1 -0.447 34.4-109.4 -88.4 167.6 16.4 55.4 14.2 534 107 B I S S- 0 0 46 -2,-0.2 2,-0.3 1,-0.1 18,-0.1 0.774 99.1 -1.6 -70.1 -30.1 15.9 58.9 12.7 535 108 B E S S- 0 0 121 16,-0.2 2,-3.1 17,-0.0 3,-0.3 -0.897 100.5 -68.8-148.8-179.8 19.6 59.6 13.1 536 109 B E S S+ 0 0 115 -2,-0.3 16,-0.3 1,-0.2 15,-0.2 -0.305 82.9 129.6 -74.3 64.1 22.7 57.9 14.3 537 110 B N - 0 0 48 -2,-3.1 -1,-0.2 14,-0.6 15,-0.2 0.519 66.3-127.7-102.3 -9.5 21.5 58.2 17.9 538 111 B W + 0 0 112 13,-2.3 4,-0.2 -3,-0.3 14,-0.1 0.720 52.9 152.3 67.6 21.1 21.9 54.6 19.4 539 112 B K + 0 0 130 12,-0.4 2,-0.3 2,-0.1 -1,-0.2 -0.400 39.3 41.4 -71.0 159.9 18.3 54.4 20.6 540 113 B G S S- 0 0 29 1,-0.1 3,-0.4 -2,-0.1 15,-0.2 -0.734 108.2 -20.0 107.4-149.4 16.8 50.9 20.8 541 114 B H S >> S+ 0 0 60 13,-2.6 3,-1.3 -2,-0.3 4,-1.1 0.206 81.3 118.7 -94.4 15.0 17.9 47.5 21.9 542 115 B H G >4 + 0 0 67 1,-0.2 3,-0.7 11,-0.2 -1,-0.2 0.858 69.3 61.9 -53.2 -40.7 21.7 47.7 21.8 543 116 B E G 34 S+ 0 0 158 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.787 114.8 31.8 -59.6 -29.1 22.2 47.1 25.6 544 117 B T G <4 S+ 0 0 50 -3,-1.3 70,-2.6 69,-0.1 2,-0.5 0.563 104.0 92.5 -98.8 -10.2 20.7 43.6 25.4 545 118 B D E << -Q 613 0M 8 -4,-1.1 2,-0.9 -3,-0.7 68,-0.2 -0.781 53.7-162.4-105.7 123.9 21.7 42.7 21.9 546 119 B H E +Q 612 0M 105 66,-3.6 66,-1.1 -2,-0.5 2,-0.3 -0.795 53.3 93.7-104.5 91.5 24.9 40.8 20.9 547 120 B T S S- 0 0 27 -2,-0.9 2,-0.5 64,-0.2 64,-0.1 -0.939 88.1 -64.7-165.0 168.6 25.4 41.5 17.2 548 121 B D + 0 0 113 62,-0.3 2,-0.3 -2,-0.3 -2,-0.0 -0.591 68.1 180.0 -69.4 121.1 27.3 43.9 14.9 549 122 B L - 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