==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 21-JUN-07 2QDO . COMPND 2 MOLECULE: NBLA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS VULCANUS; . AUTHOR M.DINES,N.ADIR . 211 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 85.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 10 A V 0 0 77 0, 0.0 95,-0.1 0, 0.0 91,-0.1 0.000 360.0 360.0 360.0 96.2 -20.3 11.2 24.5 2 11 A D - 0 0 130 89,-0.1 90,-0.1 93,-0.0 91,-0.1 0.414 360.0 -62.0-169.6 -4.7 -21.0 10.5 20.8 3 12 A L - 0 0 26 88,-0.1 2,-0.1 89,-0.1 89,-0.0 0.266 45.1-138.5 125.3 129.9 -18.3 11.9 18.6 4 13 A S > - 0 0 46 1,-0.1 4,-2.3 -2,-0.0 5,-0.2 -0.372 32.4 -98.4-103.9 178.2 -16.9 15.3 17.8 5 14 A F H > S+ 0 0 129 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.964 123.7 48.8 -59.2 -55.8 -15.7 17.3 14.8 6 15 A E H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 113.2 47.2 -52.3 -45.5 -12.0 16.4 15.6 7 16 A Q H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.849 107.7 53.4 -69.8 -37.2 -12.8 12.7 16.0 8 17 A E H X S+ 0 0 71 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.910 108.5 53.1 -62.7 -41.2 -14.9 12.4 12.8 9 18 A F H X S+ 0 0 55 -4,-2.2 4,-2.1 1,-0.2 3,-0.5 0.983 108.3 48.4 -55.8 -55.9 -11.9 13.9 11.1 10 19 A Q H X S+ 0 0 66 -4,-2.3 4,-2.9 1,-0.3 -1,-0.2 0.819 107.8 56.8 -54.4 -31.7 -9.7 11.2 12.7 11 20 A M H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 -1,-0.3 0.935 105.6 49.5 -65.8 -43.0 -12.3 8.7 11.5 12 21 A R H < S+ 0 0 96 -4,-2.5 4,-0.5 -3,-0.5 -2,-0.2 0.874 113.8 46.6 -63.0 -36.6 -11.8 10.0 7.9 13 22 A V H >X S+ 0 0 20 -4,-2.1 4,-2.5 2,-0.2 3,-1.7 0.954 110.7 50.5 -68.1 -50.7 -8.0 9.6 8.3 14 23 A M H 3X S+ 0 0 55 -4,-2.9 4,-3.2 1,-0.3 5,-0.2 0.890 107.0 56.3 -53.3 -42.4 -8.3 6.1 9.9 15 24 A E H 3X S+ 0 0 77 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.3 0.716 108.5 48.9 -64.7 -20.2 -10.5 5.2 6.9 16 25 A E H X4 S+ 0 0 109 -3,-1.7 3,-0.8 -4,-0.5 4,-0.2 0.947 113.5 42.7 -81.2 -58.8 -7.6 6.3 4.7 17 26 A Q H >< S+ 0 0 105 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.930 112.6 55.3 -51.6 -49.9 -4.9 4.3 6.5 18 27 A V H >< S+ 0 0 3 -4,-3.2 3,-1.2 1,-0.3 -1,-0.2 0.781 99.1 59.9 -57.7 -30.5 -7.2 1.3 6.8 19 28 A S T << S+ 0 0 78 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.400 107.9 46.0 -82.1 7.2 -7.9 1.1 3.0 20 29 A A T < S+ 0 0 86 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.2 0.176 92.3 111.4-126.4 8.7 -4.2 0.6 2.3 21 30 A M < - 0 0 12 -3,-1.2 2,-0.2 -4,-0.1 59,-0.1 -0.638 63.2-129.0 -90.5 145.2 -3.7 -2.0 5.0 22 31 A S >> - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 3,-0.6 -0.604 30.7-102.4 -90.7 152.8 -3.0 -5.6 4.4 23 32 A L H 3> S+ 0 0 56 1,-0.3 4,-2.5 -2,-0.2 5,-0.2 0.819 121.8 51.2 -40.7 -45.3 -4.9 -8.5 6.0 24 33 A Q H 3> S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.939 111.8 45.5 -64.6 -44.6 -2.1 -9.1 8.5 25 34 A E H <> S+ 0 0 105 -3,-0.6 4,-1.9 1,-0.2 -2,-0.2 0.880 113.1 51.5 -66.6 -35.2 -2.0 -5.5 9.6 26 35 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.933 110.7 48.2 -65.3 -47.2 -5.8 -5.3 9.8 27 36 A R H X S+ 0 0 57 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.961 111.7 45.8 -61.3 -56.7 -6.0 -8.4 12.0 28 37 A E H X S+ 0 0 84 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.952 116.4 46.4 -54.5 -49.3 -3.4 -7.5 14.6 29 38 A L H X S+ 0 0 58 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.865 110.7 52.3 -60.8 -36.9 -4.7 -4.0 14.9 30 39 A L H X S+ 0 0 7 -4,-2.4 4,-3.7 2,-0.2 5,-0.3 0.940 112.3 47.2 -62.2 -46.7 -8.3 -5.2 15.2 31 40 A L H X S+ 0 0 29 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.888 111.6 48.5 -62.0 -40.8 -7.1 -7.6 17.9 32 41 A Q H X S+ 0 0 96 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.905 115.4 48.3 -65.5 -36.4 -5.3 -4.8 19.7 33 42 A A H X S+ 0 0 8 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.950 108.4 49.6 -67.4 -53.5 -8.4 -2.8 19.3 34 43 A S H X S+ 0 0 13 -4,-3.7 4,-1.5 1,-0.2 -1,-0.2 0.847 113.3 50.3 -56.3 -34.2 -10.9 -5.4 20.6 35 44 A R H X S+ 0 0 91 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.927 108.1 50.4 -70.0 -45.7 -8.6 -5.8 23.6 36 45 A L H X S+ 0 0 67 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.798 105.4 59.0 -62.3 -29.0 -8.4 -2.0 24.3 37 46 A L H >X S+ 0 0 23 -4,-2.1 4,-2.4 2,-0.2 3,-0.6 0.974 104.1 49.9 -64.2 -49.6 -12.2 -2.0 24.2 38 47 A M H 3X S+ 0 0 11 -4,-1.5 4,-1.8 1,-0.3 -1,-0.2 0.842 111.4 48.9 -56.3 -37.0 -12.4 -4.5 27.0 39 48 A M H 3X S+ 0 0 79 -4,-1.6 4,-1.9 2,-0.2 -1,-0.3 0.773 106.1 57.4 -74.4 -26.1 -10.0 -2.4 29.0 40 49 A K H X S+ 0 0 28 -4,-2.6 4,-2.7 2,-0.2 3,-0.8 0.951 110.8 53.2 -69.6 -53.9 -15.5 2.8 32.9 45 54 A R H 3X S+ 0 0 142 -4,-4.5 4,-1.6 1,-0.3 -1,-0.2 0.886 114.2 48.6 -47.8 -39.3 -16.9 0.1 35.1 46 55 A S H 3X S+ 0 0 66 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.3 0.767 109.1 49.4 -72.6 -31.5 -14.4 1.4 37.6 47 56 A L H X S+ 0 0 81 -4,-2.7 4,-1.6 1,-0.2 3,-0.8 0.949 109.8 48.7 -58.1 -50.2 -19.0 4.5 37.7 49 58 A K H 3X S+ 0 0 129 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.923 109.0 51.1 -59.3 -46.2 -18.3 2.6 40.9 50 59 A R H 3< S+ 0 0 125 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.712 103.5 63.4 -66.9 -14.5 -16.0 5.3 42.4 51 60 A A H << S+ 0 0 85 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.976 121.0 17.8 -70.7 -53.6 -18.8 7.8 41.5 52 61 A A H < 0 0 81 -4,-1.6 -2,-0.2 -3,-0.1 -3,-0.1 0.976 360.0 360.0 -79.9 -63.7 -21.3 6.2 43.9 53 62 A R < 0 0 223 -4,-1.9 -3,-0.0 -5,-0.2 0, 0.0 0.414 360.0 360.0 -75.3 360.0 -19.1 4.1 46.3 54 !* 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 55 11 B D 0 0 186 0, 0.0 2,-0.2 0, 0.0 -13,-0.0 0.000 360.0 360.0 360.0 99.8 -6.1 -6.2 33.6 56 12 B L - 0 0 19 1,-0.1 -17,-0.1 4,-0.1 -21,-0.0 -0.522 360.0-127.4 -72.5 134.5 -8.4 -8.3 31.5 57 13 B S > - 0 0 46 -2,-0.2 4,-3.0 -19,-0.1 5,-0.2 -0.101 28.5 -95.8 -70.6 177.4 -10.9 -10.3 33.5 58 14 B F H > S+ 0 0 167 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.871 126.6 41.9 -62.4 -42.7 -11.5 -14.0 33.3 59 15 B E H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.1 -1,-0.2 0.891 114.4 51.9 -74.1 -40.6 -14.5 -13.6 30.9 60 16 B Q H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.959 109.1 48.5 -61.5 -50.7 -12.7 -10.8 28.9 61 17 B E H X S+ 0 0 55 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.885 109.4 57.0 -57.3 -36.9 -9.6 -13.0 28.4 62 18 B F H X S+ 0 0 140 -4,-1.3 4,-1.3 -5,-0.2 -1,-0.2 0.927 107.5 44.7 -63.0 -43.2 -12.1 -15.7 27.3 63 19 B Q H X S+ 0 0 86 -4,-2.3 4,-3.8 1,-0.2 5,-0.3 0.888 104.1 63.5 -68.9 -33.8 -13.6 -13.6 24.6 64 20 B M H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.3 -1,-0.2 0.940 103.1 51.6 -49.5 -45.3 -10.2 -12.4 23.4 65 21 B R H X S+ 0 0 122 -4,-1.7 4,-1.5 1,-0.2 -1,-0.3 0.889 111.4 44.3 -59.0 -41.4 -9.8 -16.1 22.6 66 22 B V H X S+ 0 0 64 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.908 111.1 54.0 -70.1 -40.2 -13.0 -16.2 20.6 67 23 B M H X S+ 0 0 53 -4,-3.8 4,-2.7 1,-0.2 -2,-0.2 0.852 106.4 54.5 -61.6 -31.8 -12.1 -12.9 18.9 68 24 B E H X S+ 0 0 80 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.890 107.5 47.8 -69.7 -39.5 -8.7 -14.5 17.9 69 25 B E H < S+ 0 0 147 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.907 116.6 44.9 -68.4 -38.9 -10.4 -17.5 16.3 70 26 B Q H >< S+ 0 0 106 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.957 110.8 50.4 -68.4 -53.3 -12.8 -15.2 14.4 71 27 B V H >< S+ 0 0 3 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.846 105.5 58.1 -54.1 -37.6 -10.2 -12.6 13.3 72 28 B S T 3< S+ 0 0 67 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.490 109.1 45.0 -74.8 -1.8 -8.0 -15.3 11.9 73 29 B A T < S+ 0 0 83 -3,-2.1 -1,-0.3 -4,-0.1 2,-0.2 0.214 94.2 120.5-118.8 7.3 -10.8 -16.4 9.6 74 30 B M < - 0 0 14 -3,-1.4 2,-0.1 -4,-0.2 -47,-0.1 -0.488 60.2-129.8 -83.2 142.2 -11.6 -12.9 8.6 75 31 B S > - 0 0 38 -2,-0.2 4,-3.5 1,-0.1 5,-0.2 -0.396 28.6-111.2 -79.2 162.9 -11.5 -11.5 5.1 76 32 B L H > S+ 0 0 49 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.869 120.8 54.3 -61.4 -37.4 -9.7 -8.2 4.4 77 33 B Q H > S+ 0 0 141 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.988 114.7 37.9 -57.2 -63.7 -13.1 -6.6 3.9 78 34 B E H > S+ 0 0 100 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.938 115.6 53.0 -53.4 -56.5 -14.4 -7.7 7.3 79 35 B A H X S+ 0 0 0 -4,-3.5 4,-1.4 1,-0.2 -1,-0.2 0.900 113.4 43.4 -50.5 -48.1 -11.1 -7.2 9.1 80 36 B R H X S+ 0 0 67 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.948 114.6 49.9 -63.5 -49.4 -10.8 -3.6 7.8 81 37 B E H >X S+ 0 0 51 -4,-2.7 4,-2.5 -5,-0.2 3,-0.7 0.965 113.0 44.3 -53.5 -60.4 -14.5 -2.8 8.5 82 38 B L H 3X S+ 0 0 59 -4,-2.8 4,-2.8 1,-0.3 -1,-0.2 0.777 108.3 59.4 -57.9 -28.8 -14.6 -4.1 12.0 83 39 B L H 3X S+ 0 0 8 -4,-1.4 4,-2.2 -5,-0.4 -1,-0.3 0.903 109.4 45.2 -66.4 -39.7 -11.2 -2.3 12.7 84 40 B L H X S+ 0 0 62 -4,-2.0 3,-1.2 2,-0.2 4,-1.1 0.998 107.8 50.9 -65.2 -73.7 -17.3 12.7 31.1 100 56 B L H >< S+ 0 0 59 -4,-1.9 3,-0.8 1,-0.3 -2,-0.2 0.810 113.0 49.7 -32.9 -42.2 -17.2 10.5 34.2 101 57 B V H 3< S+ 0 0 15 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.930 95.2 69.0 -67.9 -43.0 -13.9 12.2 34.9 102 58 B K H X< S+ 0 0 131 -4,-1.8 2,-3.1 -3,-1.2 3,-0.6 0.740 78.3 83.1 -47.8 -25.7 -15.3 15.7 34.4 103 59 B R T << + 0 0 67 -4,-1.1 -1,-0.2 -3,-0.8 -4,-0.0 -0.541 49.6 114.6 -79.7 69.5 -17.2 15.0 37.6 104 60 B A T 3 + 0 0 6 -2,-3.1 2,-1.4 2,-0.1 -1,-0.3 -0.052 46.3 112.2-113.9 0.4 -13.9 16.1 39.1 105 61 B A < 0 0 66 -3,-0.6 -3,-0.0 -4,-0.1 -2,-0.0 -0.733 360.0 360.0 -82.2 91.3 -16.6 18.6 40.1 106 62 B R 0 0 299 -2,-1.4 -1,-0.1 -3,-0.0 -2,-0.1 -0.585 360.0 360.0 174.0 360.0 -16.6 17.7 43.8 107 !* 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 0.0 108 9 C L 0 0 132 0, 0.0 2,-0.3 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0 150.1 -0.6 25.6 23.6 109 10 C V + 0 0 41 97,-0.0 2,-0.3 98,-0.0 95,-0.1 -0.933 360.0 132.7-158.9 124.7 -0.8 22.8 25.9 110 11 C D - 0 0 130 -2,-0.3 2,-0.2 89,-0.1 0, 0.0 -0.956 60.3 -59.1-168.6 157.2 -1.0 22.7 29.7 111 12 C L - 0 0 20 -2,-0.3 89,-0.0 1,-0.1 -2,-0.0 -0.277 46.1-148.2 -63.1 122.4 -3.2 20.9 32.4 112 13 C S > - 0 0 50 -2,-0.2 4,-1.4 1,-0.1 5,-0.1 -0.021 33.9 -94.1 -73.2 178.9 -7.0 21.4 32.4 113 14 C F H >> S+ 0 0 141 1,-0.2 4,-1.4 2,-0.2 3,-1.0 0.990 124.4 44.0 -61.5 -59.7 -9.2 21.4 35.5 114 15 C E H 3> S+ 0 0 43 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.801 109.6 55.9 -58.3 -31.5 -10.1 17.8 35.2 115 16 C Q H 3> S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.820 103.9 54.6 -70.6 -29.1 -6.6 16.6 34.4 116 17 C E H X S+ 0 0 20 -4,-1.8 4,-2.2 2,-0.2 3,-0.7 0.921 107.8 51.0 -73.8 -43.6 -6.0 10.7 41.8 122 23 C M H 3X S+ 0 0 63 -4,-2.5 4,-2.1 1,-0.3 5,-0.2 0.904 108.5 55.2 -59.2 -38.2 -2.8 9.2 40.4 123 24 C E H 3X S+ 0 0 91 -4,-1.6 4,-1.3 2,-0.2 -1,-0.3 0.779 105.1 52.9 -64.7 -27.2 -1.1 10.6 43.5 124 25 C E H << S+ 0 0 106 -4,-0.7 4,-0.5 -3,-0.7 -2,-0.2 0.963 114.9 39.9 -70.5 -50.0 -3.6 8.7 45.7 125 26 C Q H < S+ 0 0 110 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.675 112.3 55.4 -72.9 -21.8 -2.9 5.4 43.9 126 27 C V H >< S+ 0 0 5 -4,-2.1 3,-2.2 -5,-0.2 -1,-0.2 0.891 98.1 61.9 -79.4 -38.4 0.9 5.9 43.7 127 28 C S T 3< S+ 0 0 74 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.678 107.3 45.4 -59.6 -21.7 1.4 6.4 47.4 128 29 C A T 3 S+ 0 0 86 -4,-0.5 2,-0.3 -3,-0.1 -1,-0.3 0.059 90.8 119.6-110.2 21.7 0.1 3.0 48.1 129 30 C M < - 0 0 10 -3,-2.2 2,-0.1 55,-0.1 -3,-0.1 -0.678 60.7-126.4 -92.3 143.5 2.1 1.3 45.4 130 31 C S > - 0 0 65 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.319 30.4-105.4 -78.1 166.7 4.7 -1.4 46.0 131 32 C L H > S+ 0 0 63 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.878 121.7 48.6 -61.9 -36.6 8.3 -1.1 44.7 132 33 C Q H > S+ 0 0 167 2,-0.2 4,-2.6 1,-0.2 3,-0.4 0.963 112.2 46.3 -68.4 -52.2 7.5 -3.6 42.0 133 34 C E H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 111.5 51.5 -58.5 -42.2 4.3 -2.0 40.8 134 35 C A H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.806 113.0 47.1 -65.4 -29.3 5.7 1.5 40.8 135 36 C R H X S+ 0 0 61 -4,-1.1 4,-1.9 -3,-0.4 -2,-0.2 0.902 111.7 46.7 -81.0 -43.4 8.6 0.2 38.7 136 37 C E H X S+ 0 0 104 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.969 117.1 45.3 -62.3 -48.6 6.6 -1.8 36.1 137 38 C L H X S+ 0 0 59 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.882 110.0 53.1 -60.3 -43.6 4.2 1.1 35.6 138 39 C L H X S+ 0 0 8 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.883 111.3 47.9 -59.2 -40.7 7.0 3.8 35.4 139 40 C L H X S+ 0 0 33 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.870 110.6 50.1 -67.9 -38.2 8.6 1.7 32.7 140 41 C Q H X S+ 0 0 106 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.866 113.2 48.8 -67.9 -32.2 5.2 1.4 31.0 141 42 C A H X S+ 0 0 7 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.897 109.1 49.8 -72.4 -43.6 5.0 5.2 31.3 142 43 C S H X S+ 0 0 14 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.870 112.1 48.9 -63.9 -39.2 8.4 6.0 29.9 143 44 C R H X S+ 0 0 92 -4,-1.9 4,-1.9 1,-0.2 3,-0.3 0.949 111.2 50.2 -64.2 -47.1 7.8 3.8 26.9 144 45 C L H X S+ 0 0 66 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.824 104.2 59.1 -61.7 -32.8 4.5 5.5 26.4 145 46 C L H X S+ 0 0 24 -4,-2.0 4,-1.8 1,-0.2 3,-0.4 0.944 107.5 46.2 -62.9 -42.3 6.2 8.9 26.6 146 47 C M H X S+ 0 0 10 -4,-1.6 4,-1.5 -3,-0.3 -2,-0.2 0.855 109.0 53.2 -69.1 -34.1 8.4 8.0 23.6 147 48 C M H X S+ 0 0 64 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.737 107.7 54.4 -71.6 -20.8 5.5 6.6 21.6 148 49 C K H X S+ 0 0 41 -4,-1.2 4,-2.5 -3,-0.4 3,-0.2 0.887 102.9 53.8 -76.9 -42.2 3.8 9.9 22.2 149 50 C D H X S+ 0 0 47 -4,-1.8 4,-3.2 1,-0.2 -2,-0.2 0.883 108.9 52.0 -58.0 -36.7 6.7 11.9 20.8 150 51 C N H X S+ 0 0 38 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.805 107.0 49.8 -70.5 -33.8 6.4 9.7 17.7 151 52 C V H X S+ 0 0 69 -4,-1.0 4,-1.0 -3,-0.2 -2,-0.2 0.922 115.4 45.5 -70.5 -42.0 2.7 10.5 17.3 152 53 C I H >X S+ 0 0 31 -4,-2.5 4,-2.3 2,-0.2 3,-1.3 0.979 113.0 47.5 -62.4 -59.9 3.5 14.2 17.6 153 54 C R H 3X S+ 0 0 141 -4,-3.2 4,-2.2 1,-0.3 3,-0.4 0.931 114.0 48.8 -46.4 -53.1 6.5 14.2 15.3 154 55 C S H 3X S+ 0 0 73 -4,-1.9 4,-1.5 1,-0.2 -1,-0.3 0.701 112.1 49.6 -59.7 -23.4 4.4 12.2 12.7 155 56 C L H << S+ 0 0 40 -3,-1.3 4,-0.4 -4,-1.0 -1,-0.2 0.764 109.7 49.6 -86.8 -33.1 1.5 14.7 13.1 156 57 C V H X S+ 0 0 75 -4,-2.3 4,-1.9 -3,-0.4 -2,-0.2 0.824 112.9 47.0 -75.7 -35.4 3.7 17.7 12.6 157 58 C K H X S+ 0 0 132 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.988 110.0 52.8 -68.5 -57.0 5.3 16.3 9.5 158 59 C R H < S+ 0 0 115 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.627 110.0 50.1 -52.8 -17.5 1.9 15.3 8.1 159 60 C A H 4 S+ 0 0 72 -4,-0.4 -1,-0.2 -3,-0.1 -2,-0.2 0.914 109.5 48.4 -86.4 -51.2 0.7 18.8 8.6 160 61 C A H < 0 0 88 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.1 0.947 360.0 360.0 -51.5 -57.9 3.7 20.6 6.9 161 62 C R < 0 0 221 -4,-2.3 -3,-0.1 -5,-0.1 -4,-0.0 0.511 360.0 360.0 -86.2 360.0 3.5 18.3 3.8 162 !* 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 0.0 163 11 D D 0 0 179 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.5 6.9 1.9 17.3 164 12 D L - 0 0 20 1,-0.1 -17,-0.1 4,-0.1 -21,-0.0 -0.411 360.0-130.5 -65.7 132.7 10.1 2.8 19.1 165 13 D S > - 0 0 50 -2,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.034 33.4 -95.0 -68.0-174.4 12.9 4.0 16.9 166 14 D F H > S+ 0 0 167 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.832 127.7 49.9 -74.5 -35.1 16.3 2.5 17.3 167 15 D E H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 111.2 50.0 -70.1 -38.6 17.4 5.4 19.6 168 16 D Q H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.892 105.7 53.2 -69.0 -41.1 14.3 4.9 21.6 169 17 D E H X S+ 0 0 69 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.942 110.8 51.1 -57.3 -45.6 14.7 1.2 22.1 170 18 D F H X S+ 0 0 137 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.905 108.0 49.4 -58.2 -45.3 18.1 2.0 23.4 171 19 D Q H X S+ 0 0 94 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.922 106.1 58.8 -60.3 -43.0 16.8 4.7 25.8 172 20 D M H X S+ 0 0 2 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.943 104.5 49.8 -49.5 -53.7 14.4 2.1 27.1 173 21 D R H X S+ 0 0 126 -4,-2.1 4,-1.8 1,-0.3 -1,-0.2 0.910 110.9 49.1 -53.7 -45.9 17.3 -0.2 28.0 174 22 D V H X S+ 0 0 60 -4,-2.0 4,-1.1 1,-0.2 -1,-0.3 0.905 112.7 49.5 -61.4 -37.3 18.9 2.7 29.8 175 23 D M H X S+ 0 0 46 -4,-3.0 4,-2.6 2,-0.2 3,-0.4 0.896 105.9 53.7 -69.3 -40.2 15.6 3.3 31.6 176 24 D E H X S+ 0 0 82 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.883 110.0 51.2 -60.3 -34.9 15.1 -0.4 32.6 177 25 D E H < S+ 0 0 139 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.768 112.5 44.0 -72.1 -29.5 18.6 -0.1 34.2 178 26 D Q H >X S+ 0 0 100 -4,-1.1 3,-1.6 -3,-0.4 4,-0.5 0.907 112.9 49.1 -82.1 -46.8 17.7 3.0 36.1 179 27 D V H >< S+ 0 0 4 -4,-2.6 3,-2.9 1,-0.3 -2,-0.2 0.956 103.6 60.8 -55.3 -53.0 14.3 2.0 37.4 180 28 D S T 3< S+ 0 0 67 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.571 111.1 42.0 -52.6 -11.3 15.7 -1.4 38.6 181 29 D A T <4 S+ 0 0 80 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.416 93.1 116.4-114.4 -3.8 18.0 0.7 40.9 182 30 D M << - 0 0 19 -3,-2.9 2,-0.2 -4,-0.5 -47,-0.1 -0.273 64.4-121.9 -70.6 148.5 15.4 3.2 41.9 183 31 D S > - 0 0 64 1,-0.1 4,-2.9 -2,-0.0 5,-0.2 -0.513 28.7-111.7 -82.8 159.1 14.1 3.6 45.5 184 32 D L H > S+ 0 0 56 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.825 119.6 56.5 -58.2 -29.7 10.4 3.2 46.1 185 33 D Q H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.1 3,-0.4 0.957 111.7 36.4 -67.2 -55.2 10.5 7.0 46.8 186 34 D E H > S+ 0 0 99 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.917 111.1 61.7 -67.4 -41.7 12.0 8.1 43.5 187 35 D A H X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.818 110.3 42.9 -54.0 -31.1 10.0 5.5 41.6 188 36 D R H X S+ 0 0 58 -4,-1.0 4,-1.9 -3,-0.4 3,-0.3 0.936 111.5 50.1 -80.4 -50.7 6.9 7.2 42.8 189 37 D E H X S+ 0 0 48 -4,-2.2 4,-2.2 1,-0.3 3,-0.5 0.953 116.6 44.4 -50.4 -53.7 7.9 10.9 42.3 190 38 D L H X S+ 0 0 55 -4,-2.7 4,-2.2 1,-0.2 -1,-0.3 0.728 105.8 59.1 -63.9 -28.3 8.9 10.0 38.8 191 39 D L H X S+ 0 0 6 -4,-0.7 4,-1.0 -5,-0.3 -1,-0.2 0.858 109.8 46.5 -69.7 -34.5 5.8 7.9 38.0 192 40 D L H >X S+ 0 0 36 -4,-1.9 4,-2.3 -3,-0.5 3,-0.6 0.953 109.9 51.0 -69.7 -52.0 3.8 11.0 38.8 193 41 D Q H 3X S+ 0 0 116 -4,-2.2 4,-2.7 1,-0.3 -2,-0.2 0.906 110.1 50.5 -51.7 -46.4 5.9 13.3 36.7 194 42 D A H 3X S+ 0 0 5 -4,-2.2 4,-1.8 1,-0.2 -1,-0.3 0.791 108.8 52.9 -64.0 -28.1 5.6 10.9 33.8 195 43 D S H X S+ 0 0 81 -4,-2.3 4,-2.4 1,-0.2 3,-1.1 0.988 112.6 49.7 -60.7 -57.3 1.7 14.7 34.2 197 45 D L H 3X S+ 0 0 55 -4,-2.7 4,-3.0 1,-0.3 5,-0.2 0.814 105.0 56.4 -49.7 -41.9 3.8 14.7 31.0 198 46 D L H 3X S+ 0 0 24 -4,-1.8 4,-1.6 1,-0.2 -1,-0.3 0.868 110.3 46.3 -62.5 -34.0 1.6 12.1 29.3 199 47 D M H X S+ 0 0 48 -4,-2.1 4,-1.2 2,-0.2 3,-1.1 0.995 110.3 45.5 -57.8 -68.1 -4.2 20.5 19.5 208 56 D L H 3< S+ 0 0 63 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.751 112.7 52.4 -49.7 -28.5 -2.5 19.3 16.3 209 57 D V H 3< S+ 0 0 16 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.856 100.1 63.4 -78.9 -30.1 -5.5 17.1 15.7 210 58 D K H X< S+ 0 0 130 -4,-1.8 2,-5.2 -3,-1.1 3,-0.5 0.805 76.6 81.6 -64.7 -29.6 -7.8 20.1 16.1 211 59 D R T 3< + 0 0 71 -4,-1.2 -1,-0.2 1,-0.3 -3,-0.1 -0.358 60.8 109.4 -70.6 61.5 -6.2 21.8 13.0 212 60 D A T 3 + 0 0 2 -2,-5.2 2,-2.4 2,-0.1 -1,-0.3 -0.115 37.6 124.1-118.2 10.2 -8.7 19.3 11.6 213 61 D A < 0 0 72 -3,-0.5 -2,-0.1 1,-0.1 -3,-0.1 -0.521 360.0 360.0 -78.8 68.2 -10.4 22.6 10.9 214 62 D R 0 0 249 -2,-2.4 -1,-0.1 0, 0.0 -2,-0.1 -0.431 360.0 360.0 176.9 360.0 -10.6 21.8 7.2