==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 25-APR-08 2ZNJ . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFITOBACTERIUM HAFNIENSE; . AUTHOR K.NOZAWA,Y.ARAISO,D.SOLL,R.ISHITANI,O.NUREKI . 835 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 599 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 18.4 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 59 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.4 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 4 1 1 0 4 0 0 2 0 1 3 3 0 0 0 0 0 0 0 0 0 0 0 3 0 0 RESIDUES PER ALPHA HELIX . 0 3 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 . 5 4 3 1 2 5 4 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 3 0 0 0 3 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 11 A S 0 0 137 0, 0.0 2,-0.5 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 13.4 62.6 -25.2 -14.4 2 12 A S E -A 26 0A 26 24,-3.3 24,-3.7 25,-0.2 2,-0.2 -0.810 360.0-175.4 -94.1 125.2 60.8 -22.8 -12.1 3 13 A F E -A 25 0A 105 -2,-0.5 22,-0.2 22,-0.2 20,-0.1 -0.744 38.1 -54.4-117.7 166.4 59.5 -19.6 -13.7 4 14 A W - 0 0 24 20,-0.7 -1,-0.2 -2,-0.2 3,-0.0 0.084 54.0-129.7 -37.2 139.6 57.8 -16.4 -12.5 5 15 A T > - 0 0 58 -3,-0.1 4,-1.7 1,-0.0 5,-0.2 -0.085 34.9 -88.7 -80.1-172.1 54.7 -16.9 -10.4 6 16 A K H >> S+ 0 0 153 2,-0.2 4,-2.2 1,-0.2 3,-1.2 0.991 123.4 38.3 -64.7 -79.4 51.5 -15.0 -11.3 7 17 A V H 3> S+ 0 0 100 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.761 115.8 57.8 -43.1 -31.1 51.7 -11.7 -9.3 8 18 A Q H 3> S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.928 108.9 42.5 -68.9 -44.1 55.4 -11.7 -10.2 9 19 A Y H S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 -2,-0.2 0.846 108.9 59.1 -57.2 -35.5 57.2 -7.1 -13.7 13 23 A K H ><5S+ 0 0 55 -4,-2.0 3,-2.2 1,-0.2 246,-0.3 0.944 103.0 48.3 -60.3 -52.8 54.8 -6.5 -16.7 14 24 A E H 3<5S+ 0 0 45 -4,-1.5 260,-0.3 1,-0.3 -1,-0.2 0.848 106.9 59.1 -56.9 -34.9 53.5 -3.2 -15.4 15 25 A L T 3<5S- 0 0 15 -4,-1.6 -1,-0.3 258,-0.1 -2,-0.2 0.270 123.2-108.6 -79.2 12.9 57.2 -2.2 -14.8 16 26 A N T < 5 - 0 0 54 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.909 48.1-172.4 59.9 47.7 57.8 -2.8 -18.5 17 27 A A < - 0 0 0 -5,-1.8 -1,-0.2 -8,-0.2 23,-0.0 -0.466 28.3-106.3 -69.3 140.5 59.8 -6.0 -18.1 18 28 A S > - 0 0 42 -2,-0.1 4,-1.3 1,-0.1 -1,-0.1 0.009 25.4-110.7 -58.4 173.5 61.3 -7.2 -21.3 19 29 A G H > S+ 0 0 41 2,-0.2 4,-0.8 1,-0.1 -1,-0.1 0.847 120.0 47.1 -76.3 -33.9 59.9 -10.2 -23.1 20 30 A E H >4 S+ 0 0 164 2,-0.2 3,-1.3 1,-0.2 4,-0.3 0.957 108.4 52.6 -70.5 -53.1 63.0 -12.2 -22.2 21 31 A Q H >4 S+ 0 0 53 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.885 108.5 53.2 -48.9 -42.4 63.1 -11.1 -18.6 22 32 A L H 3< S+ 0 0 40 -4,-1.3 -1,-0.3 1,-0.3 -18,-0.2 0.777 107.5 50.8 -65.7 -27.8 59.5 -12.3 -18.3 23 33 A E T << S+ 0 0 148 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.294 84.1 134.0 -93.6 10.0 60.5 -15.7 -19.8 24 34 A M < - 0 0 76 -3,-1.4 -20,-0.7 -4,-0.3 2,-0.3 -0.187 39.6-155.1 -59.8 151.4 63.3 -16.2 -17.3 25 35 A G E -A 3 0A 37 -22,-0.2 2,-0.3 7,-0.0 -22,-0.2 -0.957 8.8-168.5-132.3 149.9 63.7 -19.5 -15.5 26 36 A F E -A 2 0A 26 -24,-3.7 -24,-3.3 -2,-0.3 3,-0.0 -0.890 26.6-124.5-133.7 164.1 65.3 -20.6 -12.2 27 37 A S S S+ 0 0 89 -2,-0.3 -25,-0.2 -26,-0.2 -1,-0.2 0.997 89.3 25.6 -70.3 -72.5 66.2 -23.8 -10.4 28 38 A D S > S- 0 0 74 -27,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.503 77.9-116.5 -95.0 163.8 64.4 -23.6 -7.1 29 39 A A H > S+ 0 0 56 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.655 116.5 44.0 -70.3 -18.0 61.2 -21.8 -6.1 30 40 A L H > S+ 0 0 86 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.785 105.8 58.2 -95.9 -34.3 63.1 -19.6 -3.6 31 41 A S H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.922 109.3 49.5 -58.3 -42.2 66.1 -18.8 -5.9 32 42 A R H X S+ 0 0 37 -4,-1.7 4,-1.4 1,-0.2 3,-0.3 0.990 106.9 52.6 -56.8 -64.0 63.5 -17.4 -8.2 33 43 A D H X S+ 0 0 58 -4,-1.1 4,-1.3 1,-0.2 -1,-0.2 0.746 107.9 53.7 -45.0 -31.8 61.9 -15.3 -5.4 34 44 A R H X S+ 0 0 158 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.968 110.0 44.0 -70.5 -53.2 65.3 -13.8 -4.6 35 45 A A H X S+ 0 0 35 -4,-2.0 4,-1.9 -3,-0.3 -2,-0.2 0.609 105.5 66.5 -67.5 -12.4 66.0 -12.7 -8.1 36 46 A F H X S+ 0 0 29 -4,-1.4 4,-2.5 2,-0.2 5,-0.3 0.963 99.1 47.7 -71.1 -53.6 62.5 -11.3 -8.4 37 47 A Q H X S+ 0 0 149 -4,-1.3 4,-1.3 -3,-0.2 -1,-0.2 0.787 112.0 58.2 -55.9 -23.9 63.0 -8.7 -5.7 38 48 A G H X S+ 0 0 44 -4,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.913 108.9 37.3 -74.2 -47.0 66.2 -8.1 -7.8 39 49 A I H X S+ 0 0 19 -4,-1.9 4,-3.1 -3,-0.3 5,-0.3 0.947 115.1 54.2 -71.4 -48.6 64.6 -7.3 -11.2 40 50 A E H X S+ 0 0 38 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.914 108.5 51.5 -50.0 -45.5 61.6 -5.4 -9.7 41 51 A H H X S+ 0 0 111 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.916 110.9 46.3 -59.3 -45.9 64.2 -3.2 -7.9 42 52 A Q H X S+ 0 0 89 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.958 114.3 47.1 -62.5 -50.4 66.1 -2.5 -11.1 43 53 A L H X S+ 0 0 15 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.851 111.3 51.7 -60.4 -35.8 63.0 -1.7 -13.1 44 54 A M H X S+ 0 0 14 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.907 106.3 54.7 -66.4 -42.2 61.6 0.5 -10.3 45 55 A S H X S+ 0 0 46 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.879 107.7 50.2 -57.1 -40.4 64.9 2.4 -10.2 46 56 A Q H X S+ 0 0 71 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.893 109.1 50.9 -67.0 -40.5 64.5 3.1 -13.9 47 57 A G H X S+ 0 0 11 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.923 111.3 47.2 -63.7 -44.4 60.9 4.3 -13.4 48 58 A K H X S+ 0 0 84 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.920 112.7 51.1 -61.6 -42.9 62.0 6.7 -10.7 49 59 A R H X S+ 0 0 153 -4,-2.2 4,-1.2 2,-0.2 3,-0.3 0.917 111.7 45.2 -60.3 -48.4 64.9 7.9 -12.9 50 60 A H H X S+ 0 0 74 -4,-2.7 4,-1.6 1,-0.2 3,-0.5 0.905 109.9 54.9 -63.4 -41.6 62.6 8.5 -15.9 51 61 A L H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.768 103.0 58.8 -61.9 -25.3 60.1 10.3 -13.6 52 62 A E H X S+ 0 0 72 -4,-1.2 4,-2.3 -3,-0.3 -1,-0.2 0.861 102.5 51.4 -72.6 -34.9 63.1 12.5 -12.6 53 63 A Q H X>S+ 0 0 93 -4,-1.2 5,-2.4 -3,-0.5 4,-2.2 0.849 110.2 50.4 -68.4 -34.5 63.5 13.6 -16.2 54 64 A L H <>S+ 0 0 0 -4,-1.6 5,-2.4 3,-0.2 -2,-0.2 0.915 112.2 46.4 -69.5 -42.9 59.9 14.4 -16.3 55 65 A R H <5S+ 0 0 93 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.872 123.3 31.5 -67.8 -39.2 60.1 16.5 -13.1 56 66 A T H <5S+ 0 0 71 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.673 135.9 2.3 -99.5 -20.3 63.2 18.4 -14.0 57 67 A V T <5S+ 0 0 77 -4,-2.2 -3,-0.2 -5,-0.2 -4,-0.1 0.644 123.5 45.7-133.0 -45.9 63.2 18.9 -17.8 58 68 A K T < - 0 0 38 -5,-2.4 -4,-0.2 1,-0.1 -3,-0.1 0.956 64.5-173.4 -66.7 -53.1 60.2 17.5 -19.8 59 69 A H < + 0 0 34 -5,-2.4 302,-2.8 -6,-0.3 -4,-0.1 0.569 66.6 53.1 68.1 11.9 57.4 18.8 -17.5 60 70 A R S S- 0 0 27 300,-0.2 302,-0.1 -6,-0.1 2,-0.1 -0.940 91.5-102.5-166.0 148.8 54.8 16.9 -19.6 61 71 A P >> - 0 0 4 0, 0.0 4,-1.8 0, 0.0 3,-1.1 -0.389 40.2 -97.1 -80.6 164.5 54.5 13.3 -20.6 62 72 A A H 3> S+ 0 0 0 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.811 118.0 65.0 -43.6 -43.6 55.4 11.8 -24.0 63 73 A L H 3> S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.913 108.7 39.5 -51.0 -46.9 51.7 11.9 -25.2 64 74 A L H <> S+ 0 0 26 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.852 114.0 52.2 -73.9 -35.9 51.7 15.7 -25.0 65 75 A E H X S+ 0 0 70 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.916 113.1 47.9 -65.2 -37.6 55.2 16.2 -26.3 66 76 A L H X S+ 0 0 1 -4,-3.4 4,-2.8 -5,-0.2 5,-0.2 0.921 108.5 52.6 -66.6 -46.8 54.1 13.9 -29.3 67 77 A E H X S+ 0 0 44 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.943 111.6 46.2 -55.2 -49.9 50.8 15.8 -29.9 68 78 A E H X S+ 0 0 39 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.921 113.3 48.8 -60.4 -45.5 52.7 19.1 -30.1 69 79 A K H X S+ 0 0 90 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.890 114.7 45.4 -63.2 -38.9 55.4 17.8 -32.4 70 80 A L H X S+ 0 0 1 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.918 113.5 49.0 -71.2 -42.1 52.7 16.2 -34.7 71 81 A A H X S+ 0 0 7 -4,-2.9 4,-2.5 -5,-0.2 5,-0.2 0.941 112.8 47.6 -60.5 -49.7 50.5 19.3 -34.7 72 82 A K H X S+ 0 0 80 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.886 108.6 54.3 -60.1 -41.3 53.5 21.6 -35.5 73 83 A A H X S+ 0 0 18 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.865 113.6 42.8 -63.9 -33.5 54.6 19.2 -38.3 74 84 A L H ><>S+ 0 0 0 -4,-1.8 5,-2.6 2,-0.2 3,-0.5 0.814 106.9 58.6 -82.7 -29.1 51.2 19.4 -39.8 75 85 A H H ><5S+ 0 0 20 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.871 103.8 56.9 -63.2 -33.8 50.8 23.2 -39.3 76 86 A Q H 3<5S+ 0 0 156 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.750 102.0 52.2 -69.7 -25.4 54.0 23.4 -41.4 77 87 A Q T <<5S- 0 0 61 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.156 128.2 -97.9 -94.5 16.2 52.4 21.5 -44.4 78 88 A G T < 5S+ 0 0 34 -3,-1.3 2,-0.4 1,-0.2 63,-0.3 0.783 71.7 153.0 76.3 26.3 49.6 24.0 -44.3 79 89 A F < - 0 0 0 -5,-2.6 2,-0.6 -8,-0.1 -1,-0.2 -0.762 38.4-140.4 -90.7 134.5 47.1 21.9 -42.3 80 90 A V E -b 142 0B 3 61,-2.6 63,-1.7 -2,-0.4 2,-0.3 -0.845 17.7-139.8 -93.9 122.9 44.5 23.8 -40.2 81 91 A Q E -b 143 0B 17 258,-3.4 2,-0.3 -2,-0.6 63,-0.2 -0.604 21.7-173.9 -83.9 140.4 43.9 22.2 -36.8 82 92 A V - 0 0 2 61,-2.5 63,-0.5 -2,-0.3 2,-0.4 -0.899 17.3-149.7-130.7 160.8 40.4 22.0 -35.4 83 93 A V - 0 0 18 -2,-0.3 463,-1.4 461,-0.1 260,-0.1 -0.965 24.1-179.8-135.4 113.8 38.9 20.9 -32.1 84 94 A T - 0 0 1 -2,-0.4 461,-0.1 461,-0.3 463,-0.1 -0.610 36.1 -69.5-112.8 172.3 35.4 19.5 -32.2 85 95 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 39,-0.1 -0.296 23.7-154.1 -62.2 139.5 32.8 18.1 -29.8 86 96 A T S S+ 0 0 0 1,-0.1 32,-3.3 31,-0.1 2,-0.6 0.634 85.5 75.0 -82.7 -15.3 33.6 14.7 -28.1 87 97 A I E +H 117 0C 23 30,-0.2 2,-0.2 28,-0.0 30,-0.2 -0.879 68.0 177.3-103.2 112.9 29.8 14.5 -27.8 88 98 A I E -H 116 0C 6 28,-2.7 28,-2.5 -2,-0.6 2,-0.2 -0.711 27.2-105.7-114.2 164.6 28.0 13.7 -31.0 89 99 A T E >> -H 115 0C 54 -2,-0.2 4,-2.4 26,-0.2 3,-0.6 -0.544 21.4-123.5 -89.1 152.2 24.4 13.0 -32.0 90 100 A K H 3> S+ 0 0 88 24,-2.8 4,-2.3 1,-0.3 5,-0.2 0.899 115.4 59.9 -53.8 -44.3 22.8 9.6 -32.9 91 101 A S H 3> S+ 0 0 79 23,-0.3 4,-0.9 1,-0.2 -1,-0.3 0.847 107.3 44.1 -54.4 -38.8 21.8 11.3 -36.2 92 102 A A H X4 S+ 0 0 15 -3,-0.6 3,-0.6 2,-0.2 4,-0.4 0.913 110.5 53.0 -75.0 -44.2 25.5 12.0 -37.0 93 103 A L H >< S+ 0 0 2 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.847 104.6 59.4 -59.1 -33.6 26.7 8.5 -35.9 94 104 A A H >< S+ 0 0 17 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.844 94.3 61.9 -65.0 -36.7 24.1 7.1 -38.3 95 105 A K T << S+ 0 0 70 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.595 81.4 85.1 -67.2 -9.4 25.5 8.8 -41.4 96 106 A M T < S+ 0 0 22 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.3 0.265 100.8 27.0 -77.0 16.1 28.7 6.8 -40.8 97 107 A T S < S- 0 0 37 -3,-0.9 2,-0.3 2,-0.1 5,-0.0 -0.970 80.7-114.4-168.9 155.7 27.1 4.0 -42.7 98 108 A I S S+ 0 0 91 -2,-0.3 3,-0.4 2,-0.0 2,-0.1 -0.701 78.0 24.9 -97.5 153.2 24.5 3.4 -45.4 99 109 A G S S- 0 0 44 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 -0.306 103.3 -69.8 88.4-177.3 21.2 1.6 -44.8 100 110 A E S S+ 0 0 163 -2,-0.1 2,-0.7 2,-0.0 -1,-0.2 0.093 101.7 102.7-102.3 22.4 19.4 1.3 -41.5 101 111 A D + 0 0 113 -3,-0.4 3,-0.1 -7,-0.1 -3,-0.0 -0.916 44.4 176.4-107.2 107.0 22.0 -1.0 -40.0 102 112 A H > + 0 0 40 -2,-0.7 3,-2.4 1,-0.2 4,-0.3 -0.689 6.6 174.7-114.7 78.1 24.2 1.0 -37.6 103 113 A P G > S+ 0 0 63 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.776 74.3 71.4 -50.1 -32.6 26.7 -1.5 -36.0 104 114 A L G > S+ 0 0 28 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.677 80.9 74.2 -61.7 -18.5 28.5 1.4 -34.3 105 115 A F G X S+ 0 0 48 -3,-2.4 3,-0.5 1,-0.2 -1,-0.3 0.798 91.3 56.0 -66.3 -28.4 25.5 1.8 -31.9 106 116 A S G < S+ 0 0 90 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.524 110.4 42.7 -82.0 -8.6 26.5 -1.3 -30.0 107 117 A Q G < S+ 0 0 44 -3,-1.0 44,-1.7 -4,-0.3 45,-0.6 0.236 94.7 93.2-123.5 15.7 30.0 -0.1 -29.2 108 118 A V S < S- 0 0 1 -3,-0.5 2,-0.9 -4,-0.3 42,-0.1 -0.756 76.0-116.9-109.9 153.5 29.4 3.5 -28.2 109 119 A F - 0 0 30 8,-0.4 8,-2.1 -2,-0.3 2,-0.3 -0.798 32.9-152.2 -89.0 105.8 28.8 5.1 -24.8 110 120 A W B +I 116 0C 71 -2,-0.9 6,-0.3 6,-0.2 3,-0.1 -0.626 22.2 176.5 -80.4 135.3 25.3 6.6 -25.0 111 121 A L S S+ 0 0 25 4,-2.4 2,-0.2 -2,-0.3 5,-0.2 0.730 73.0 4.0-102.6 -35.5 24.7 9.6 -22.7 112 122 A D S S- 0 0 89 3,-2.0 -1,-0.2 1,-0.0 0, 0.0 -0.680 82.3 -97.2-133.8-174.1 21.2 10.3 -24.0 113 123 A G S S+ 0 0 56 -2,-0.2 3,-0.0 1,-0.1 -3,-0.0 0.608 131.5 29.7 -83.4 -12.4 18.7 8.7 -26.3 114 124 A K S S+ 0 0 155 -24,-0.1 -24,-2.8 1,-0.1 -23,-0.3 0.639 116.2 61.2-116.9 -22.9 20.1 11.3 -28.7 115 125 A K E +H 89 0C 81 -26,-0.2 -4,-2.4 -25,-0.1 -3,-2.0 -0.801 50.0 164.1-114.3 153.0 23.8 11.8 -27.7 116 126 A C E -HI 88 110C 0 -28,-2.5 -28,-2.7 -2,-0.3 2,-0.4 -0.983 43.2 -91.6-156.7 161.3 26.9 9.7 -27.4 117 127 A L E -H 87 0C 0 -8,-2.1 -8,-0.4 -2,-0.3 -30,-0.2 -0.639 53.4-107.0 -77.4 131.6 30.7 9.9 -27.0 118 128 A R - 0 0 0 -32,-3.3 31,-3.0 -2,-0.4 3,-0.1 -0.286 24.9-165.3 -59.0 136.3 32.3 9.9 -30.4 119 129 A P S S+ 0 0 5 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.478 77.6 9.0-100.5 -3.4 34.1 6.7 -31.2 120 130 A M - 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0 0 53 -3,-1.8 -3,-0.2 1,-0.1 2,-0.2 0.881 49.8-177.9 46.6 50.1 29.5 38.3 -32.5 297 27 B A < - 0 0 1 -5,-2.1 -1,-0.1 -4,-0.2 241,-0.0 -0.514 31.4-105.8 -73.6 146.1 27.5 41.6 -33.0 298 28 B S > - 0 0 53 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.267 26.2-109.5 -69.3 161.4 28.5 44.2 -30.4 299 29 B G H > S+ 0 0 36 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.752 119.3 60.5 -62.6 -23.3 26.1 45.0 -27.6 300 30 B E H >> S+ 0 0 146 2,-0.2 4,-2.3 1,-0.2 3,-1.3 0.991 106.4 43.6 -64.9 -60.1 25.5 48.3 -29.2 301 31 B Q H 34 S+ 0 0 44 1,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.842 108.0 59.5 -52.8 -41.1 24.2 46.7 -32.4 302 32 B L H 3< S+ 0 0 10 -4,-2.1 -1,-0.3 1,-0.2 -18,-0.2 0.819 113.9 37.8 -61.5 -28.8 22.1 44.2 -30.4 303 33 B E H << S+ 0 0 152 -3,-1.3 -2,-0.2 -4,-1.0 -1,-0.2 0.865 84.7 113.2 -92.0 -40.0 20.3 47.1 -28.8 304 34 B M < - 0 0 70 -4,-2.3 -20,-0.5 -5,-0.1 2,-0.2 0.115 49.0-159.5 -35.8 142.4 19.8 49.7 -31.5 305 35 B G - 0 0 14 -22,-0.1 2,-0.3 -21,-0.0 -22,-0.2 -0.714 3.5-151.6-122.4 174.8 16.3 50.3 -32.6 306 36 B F B -L 282 0F 29 -24,-2.3 -24,-2.2 -2,-0.2 -25,-2.0 -0.919 32.3 -97.9-145.8 171.2 14.5 51.8 -35.7 307 37 B S S S- 0 0 79 -2,-0.3 2,-0.3 -26,-0.2 -1,-0.1 0.881 93.5 -30.5 -56.5 -45.2 11.5 53.6 -37.1 308 38 B D S > S- 0 0 80 -26,-0.1 4,-1.8 -27,-0.1 5,-0.2 -0.954 80.3 -62.6-163.1-179.5 9.7 50.5 -38.3 309 39 B A H > S+ 0 0 52 -2,-0.3 4,-3.1 1,-0.2 5,-0.1 0.723 126.2 47.6 -45.9 -31.3 10.0 46.9 -39.7 310 40 B L H > S+ 0 0 89 2,-0.2 4,-2.5 3,-0.2 5,-0.4 0.984 108.4 47.4 -76.3 -68.3 11.8 48.2 -42.8 311 41 B S H > S+ 0 0 28 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.785 121.7 46.5 -42.5 -26.2 14.5 50.5 -41.4 312 42 B R H X S+ 0 0 25 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.958 111.1 44.5 -81.5 -61.5 14.9 47.4 -39.2 313 43 B D H X S+ 0 0 73 -4,-3.1 4,-0.9 1,-0.2 -2,-0.2 0.614 117.0 50.1 -62.5 -11.3 14.9 44.6 -41.7 314 44 B R H X S+ 0 0 129 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.838 109.1 47.2 -93.2 -41.4 17.2 46.6 -43.9 315 45 B A H X S+ 0 0 24 -4,-1.1 4,-2.7 -5,-0.4 5,-0.2 0.845 108.5 60.7 -67.5 -32.5 19.8 47.5 -41.3 316 46 B F H >X S+ 0 0 29 -4,-2.3 4,-3.5 2,-0.2 3,-0.6 0.990 106.3 41.0 -56.6 -67.7 19.8 43.9 -40.2 317 47 B Q H 3X S+ 0 0 96 -4,-0.9 4,-1.6 1,-0.3 -1,-0.2 0.763 115.5 56.3 -54.4 -23.3 21.0 42.4 -43.5 318 48 B G H 3X S+ 0 0 36 -4,-1.1 4,-1.1 2,-0.2 -1,-0.3 0.898 112.4 38.2 -75.5 -40.9 23.3 45.4 -43.6 319 49 B I H S+ 0 0 94 -4,-1.4 4,-2.8 2,-0.2 5,-1.7 0.925 111.7 48.7 -64.4 -45.5 44.0 34.5 -40.9 334 64 B L H <>S+ 0 0 0 -4,-1.7 5,-2.3 1,-0.2 -2,-0.2 0.902 113.8 46.3 -59.2 -45.4 43.3 31.1 -39.4 335 65 B R H <5S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.825 123.1 31.6 -69.4 -34.2 43.8 29.4 -42.7 336 66 B T H <5S+ 0 0 69 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.692 134.6 3.0-104.6 -19.6 47.0 31.2 -43.8 337 67 B V T <5S+ 0 0 78 -4,-2.8 -3,-0.2 -5,-0.2 -4,-0.1 0.661 124.4 44.1-131.9 -47.8 49.0 32.0 -40.6 338 68 B K T < - 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