==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-DEC-08 3FGG . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN BCE2196; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR Y.KIM,B.NOCEK,N.MALTSEVA,G.JOACHIMIAK,J.DU,R.JEDRZEJCZAK, . 293 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 77.5 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 . 4 1.4 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 . 2 0.7 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 . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 7 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 . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 14 A K 0 0 255 0, 0.0 2,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.4 40.3 -21.6 -0.6 2 15 A H > + 0 0 146 1,-0.2 4,-2.7 2,-0.1 5,-0.3 -0.678 360.0 172.9-102.9 81.6 42.9 -22.6 -3.3 3 16 A A H > S+ 0 0 67 -2,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.837 79.1 49.7 -53.6 -44.9 45.8 -20.2 -2.9 4 17 A G H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.944 112.8 45.4 -59.5 -49.4 48.0 -22.1 -5.3 5 18 A T H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.906 115.5 45.7 -67.5 -44.6 45.4 -22.3 -8.1 6 19 A X H X S+ 0 0 102 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.921 112.7 50.3 -66.9 -39.6 44.3 -18.7 -7.8 7 20 A T H X S+ 0 0 91 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.897 112.9 48.1 -65.4 -38.0 47.9 -17.4 -7.7 8 21 A L H X S+ 0 0 97 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.922 112.7 47.0 -66.1 -47.4 48.7 -19.5 -10.8 9 22 A E H X S+ 0 0 117 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.924 113.2 47.9 -61.1 -48.1 45.7 -18.3 -12.7 10 23 A A H X S+ 0 0 33 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.864 109.8 55.3 -62.3 -35.0 46.3 -14.6 -11.8 11 24 A Y H X S+ 0 0 148 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.886 112.3 40.9 -57.8 -48.2 49.9 -15.1 -12.8 12 25 A X H X S+ 0 0 107 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.856 114.1 52.4 -72.2 -39.5 48.8 -16.3 -16.3 13 26 A R H X S+ 0 0 133 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.898 109.7 50.0 -62.6 -37.6 46.2 -13.7 -16.6 14 27 A F H X S+ 0 0 74 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.887 107.7 52.8 -70.9 -38.0 48.8 -11.0 -15.7 15 28 A S H X S+ 0 0 49 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.895 106.9 53.2 -60.0 -42.0 51.2 -12.3 -18.3 16 29 A A H X S+ 0 0 59 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.912 109.0 49.5 -58.8 -44.0 48.3 -12.1 -20.9 17 30 A K H X S+ 0 0 83 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.848 107.9 53.0 -65.3 -34.4 47.8 -8.4 -19.9 18 31 A L H X S+ 0 0 50 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.871 108.8 52.0 -62.5 -34.6 51.6 -7.8 -20.3 19 32 A S H X S+ 0 0 79 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.904 108.7 47.7 -69.3 -43.6 51.3 -9.2 -23.7 20 33 A E H X S+ 0 0 83 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.764 108.3 56.9 -66.9 -29.2 48.4 -6.9 -24.6 21 34 A A H X S+ 0 0 4 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.901 102.8 54.0 -66.5 -42.8 50.5 -3.9 -23.2 22 35 A K H < S+ 0 0 136 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.929 115.2 41.9 -54.8 -41.6 53.3 -4.8 -25.7 23 36 A D H < S+ 0 0 137 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.861 119.9 39.3 -73.2 -37.1 50.7 -4.6 -28.4 24 37 A E H < S+ 0 0 137 -4,-2.0 2,-0.2 -5,-0.1 -2,-0.2 0.721 98.0 87.2 -95.0 -20.0 48.7 -1.5 -27.3 25 38 A X S < S- 0 0 30 -4,-2.2 -4,-0.0 -5,-0.1 0, 0.0 -0.568 80.4-107.7 -88.9 148.0 51.5 0.8 -26.1 26 39 A G > - 0 0 38 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.174 39.5-107.8 -60.7 158.2 53.6 3.3 -28.0 27 40 A T H > S+ 0 0 132 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.896 118.9 39.5 -59.4 -46.6 57.2 2.2 -28.4 28 41 A K H > S+ 0 0 147 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.961 113.8 54.6 -68.2 -50.7 58.6 4.6 -25.9 29 42 A E H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.923 110.9 45.9 -45.5 -51.6 55.8 4.2 -23.5 30 43 A Y H X S+ 0 0 65 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.836 109.5 55.8 -68.7 -30.0 56.3 0.4 -23.4 31 44 A E H X S+ 0 0 90 -4,-1.5 4,-1.8 -3,-0.3 -2,-0.2 0.959 112.0 41.6 -62.7 -51.1 60.1 0.8 -23.0 32 45 A V H X S+ 0 0 76 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.865 115.8 50.3 -64.3 -37.6 59.7 3.0 -19.9 33 46 A F H X S+ 0 0 16 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.865 108.2 52.7 -72.1 -36.0 57.0 0.8 -18.5 34 47 A T H X S+ 0 0 57 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.892 111.3 46.7 -67.3 -36.1 59.0 -2.4 -19.0 35 48 A K H X S+ 0 0 126 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.903 112.6 48.6 -68.4 -46.3 61.9 -0.9 -17.1 36 49 A E H X S+ 0 0 35 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.942 111.0 50.0 -63.0 -46.8 59.9 0.4 -14.2 37 50 A L H X S+ 0 0 22 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.878 108.1 54.6 -57.7 -36.3 58.1 -2.9 -13.8 38 51 A K H X S+ 0 0 123 -4,-1.5 4,-3.1 2,-0.2 5,-0.3 0.928 106.8 50.8 -66.8 -39.7 61.5 -4.7 -13.8 39 52 A K H X S+ 0 0 94 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.979 111.9 48.5 -56.3 -51.3 62.6 -2.4 -11.0 40 53 A L H X S+ 0 0 23 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.913 113.9 43.6 -55.9 -49.8 59.4 -3.4 -9.2 41 54 A T H X S+ 0 0 62 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.911 114.8 50.5 -70.7 -36.0 59.8 -7.1 -9.7 42 55 A N H X S+ 0 0 85 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.913 109.6 50.8 -60.4 -43.4 63.5 -7.0 -8.8 43 56 A A H X S+ 0 0 7 -4,-2.8 4,-2.3 -5,-0.3 5,-0.3 0.875 108.5 51.7 -66.2 -33.1 62.8 -5.1 -5.7 44 57 A K H X S+ 0 0 51 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.849 111.9 46.7 -74.3 -30.7 60.2 -7.6 -4.6 45 58 A L H < S+ 0 0 154 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.878 117.1 43.6 -74.9 -35.9 62.6 -10.5 -5.1 46 59 A A H < S+ 0 0 71 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.830 134.2 12.8 -74.4 -34.0 65.4 -8.7 -3.2 47 60 A Y H < S+ 0 0 113 -4,-2.3 8,-0.6 -5,-0.2 -3,-0.2 0.463 97.8 108.1-125.7 -4.1 63.4 -7.4 -0.3 48 61 A G B < -A 54 0A 26 -4,-1.3 6,-0.2 -5,-0.3 2,-0.0 -0.369 57.9-127.9 -84.2 159.8 60.1 -9.1 -0.2 49 62 A D > - 0 0 51 4,-2.3 3,-2.5 -2,-0.1 -1,-0.1 -0.049 54.4 -63.9 -84.5-166.5 58.8 -11.7 2.2 50 63 A A T 3 S+ 0 0 108 1,-0.3 -2,-0.1 2,-0.1 61,-0.0 0.765 139.1 44.4 -55.0 -31.4 57.2 -15.0 1.3 51 64 A N T 3 S- 0 0 79 2,-0.1 -1,-0.3 60,-0.0 60,-0.0 0.226 122.1-104.1 -97.1 11.4 54.3 -13.3 -0.4 52 65 A G S < S+ 0 0 25 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.669 74.0 143.1 75.3 18.8 56.5 -10.8 -2.2 53 66 A N - 0 0 23 57,-0.1 -4,-2.3 -6,-0.0 2,-0.4 -0.746 39.7-140.3 -91.6 141.3 55.6 -7.9 0.2 54 67 A I B -A 48 0A 2 -2,-0.3 2,-1.4 -6,-0.2 57,-0.2 -0.786 10.8-137.1-104.6 140.7 58.2 -5.4 1.1 55 68 A D >> - 0 0 35 -8,-0.6 3,-1.7 -2,-0.4 4,-0.5 -0.735 25.2-177.7 -88.2 84.7 58.9 -3.7 4.4 56 69 A Y G >4 S+ 0 0 6 -2,-1.4 3,-0.7 48,-0.3 -1,-0.2 0.754 76.2 63.6 -58.4 -28.6 59.4 -0.2 3.0 57 70 A D G 34 S+ 0 0 59 1,-0.2 -1,-0.3 47,-0.1 -2,-0.1 0.720 97.7 56.3 -68.4 -24.6 60.2 1.2 6.5 58 71 A A G <4 S+ 0 0 82 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.690 95.0 87.6 -77.3 -17.6 63.3 -1.1 6.8 59 72 A L S << S- 0 0 22 -3,-0.7 -12,-0.0 -4,-0.5 -3,-0.0 -0.317 89.1 -91.7 -80.4 165.5 64.8 0.3 3.5 60 73 A S > - 0 0 54 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.372 34.4-114.9 -72.9 154.9 67.0 3.4 3.1 61 74 A P H > S+ 0 0 84 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.878 116.9 54.3 -54.2 -41.0 65.4 6.7 2.4 62 75 A E H > S+ 0 0 144 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.927 111.0 43.6 -60.6 -48.5 67.0 6.8 -1.0 63 76 A K H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.872 112.2 53.3 -65.2 -37.0 65.7 3.4 -2.0 64 77 A R H X S+ 0 0 68 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.914 109.2 49.2 -66.4 -41.3 62.2 4.2 -0.6 65 78 A E H X S+ 0 0 132 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.916 111.3 50.7 -58.3 -46.7 62.1 7.4 -2.7 66 79 A E H X S+ 0 0 76 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.926 110.2 47.7 -57.4 -50.0 63.1 5.4 -5.7 67 80 A X H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.901 110.0 54.2 -63.9 -37.4 60.4 2.7 -5.2 68 81 A K H X S+ 0 0 37 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.926 107.7 49.5 -62.7 -40.2 57.8 5.5 -4.7 69 82 A T H X S+ 0 0 89 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.946 110.5 50.3 -63.4 -45.7 58.9 7.0 -8.1 70 83 A V H X S+ 0 0 2 -4,-2.2 4,-1.7 1,-0.2 3,-0.3 0.968 112.4 47.3 -54.4 -53.1 58.6 3.6 -9.8 71 84 A S H X S+ 0 0 22 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.848 106.3 57.8 -60.8 -37.2 55.1 3.1 -8.3 72 85 A X H < S+ 0 0 45 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.934 109.4 45.8 -58.2 -42.3 54.0 6.6 -9.3 73 86 A G H < S+ 0 0 54 -4,-2.0 4,-0.2 -3,-0.3 -2,-0.2 0.802 117.1 42.0 -72.3 -28.0 54.8 5.8 -12.9 74 87 A L H >X S+ 0 0 1 -4,-1.7 4,-1.6 -5,-0.2 3,-0.8 0.698 91.6 88.4 -86.3 -22.5 53.1 2.4 -12.9 75 88 A Q H 3X S+ 0 0 17 -4,-1.9 4,-2.1 1,-0.2 12,-0.2 0.792 82.8 53.7 -55.2 -35.3 50.0 3.5 -10.9 76 89 A P H 3> S+ 0 0 37 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.843 105.8 52.8 -73.4 -31.7 47.8 4.6 -13.9 77 90 A Y H <> S+ 0 0 27 -3,-0.8 4,-2.1 -4,-0.2 -2,-0.2 0.935 111.8 47.3 -57.5 -47.0 48.2 1.3 -15.8 78 91 A F H X S+ 0 0 52 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.872 108.6 54.4 -64.0 -36.6 47.0 -0.4 -12.6 79 92 A D H <>S+ 0 0 3 -4,-2.1 5,-2.6 -5,-0.2 3,-0.5 0.943 109.8 48.4 -61.3 -46.1 44.1 2.0 -12.3 80 93 A K H ><5S+ 0 0 142 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.853 106.2 55.3 -63.4 -38.2 43.1 1.1 -15.8 81 94 A L H 3<5S+ 0 0 70 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.777 105.8 54.0 -65.4 -25.2 43.3 -2.7 -15.1 82 95 A N T 3<5S- 0 0 112 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.356 121.3-111.0 -84.4 6.2 40.9 -2.0 -12.2 83 96 A G T < 5S+ 0 0 68 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.833 78.4 127.9 63.0 33.4 38.5 -0.4 -14.7 84 97 A H < - 0 0 54 -5,-2.6 -1,-0.2 -6,-0.2 63,-0.2 -0.849 64.4-103.7-119.1 159.3 39.2 3.0 -13.0 85 98 A K - 0 0 125 61,-1.9 2,-0.3 -2,-0.3 -3,-0.1 -0.315 58.5 -78.8 -64.5 157.7 40.2 6.5 -14.0 86 99 A S > - 0 0 15 1,-0.2 4,-1.4 -7,-0.1 3,-0.4 -0.470 31.6-152.9 -64.6 119.6 43.8 7.5 -13.3 87 100 A S H > S+ 0 0 0 -2,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.810 97.0 63.8 -61.8 -31.5 44.2 8.4 -9.6 88 101 A K H 4 S+ 0 0 112 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.886 104.4 43.5 -58.4 -43.7 47.0 10.6 -10.8 89 102 A E H 4 S+ 0 0 171 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.813 116.8 46.5 -72.2 -31.7 44.6 12.8 -12.8 90 103 A V H < S+ 0 0 42 -4,-1.4 2,-0.3 2,-0.1 -1,-0.2 0.533 106.7 64.4 -94.9 -7.3 41.9 13.0 -10.1 91 104 A L S < S- 0 0 13 -4,-1.1 2,-0.0 -3,-0.2 -5,-0.0 -0.813 83.0-114.7-113.3 155.9 44.3 13.8 -7.1 92 105 A T > - 0 0 80 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.240 39.8-100.7 -74.8 177.8 46.4 16.8 -6.4 93 106 A Q H > S+ 0 0 181 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.915 124.4 47.3 -69.1 -42.5 50.2 16.3 -6.4 94 107 A E H > S+ 0 0 168 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.891 113.1 49.6 -62.5 -42.9 50.4 16.2 -2.6 95 108 A E H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.824 107.9 52.5 -64.1 -37.3 47.4 13.8 -2.4 96 109 A F H X S+ 0 0 10 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.844 109.7 50.6 -68.9 -31.5 49.0 11.5 -5.0 97 110 A D H X S+ 0 0 56 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.898 111.5 46.2 -71.2 -43.8 52.2 11.4 -2.8 98 111 A R H X S+ 0 0 127 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.830 107.5 59.1 -69.3 -29.4 50.2 10.6 0.2 99 112 A Y H X S+ 0 0 25 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.942 105.8 48.2 -58.8 -49.2 48.3 7.9 -1.8 100 113 A X H X S+ 0 0 2 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.873 111.3 51.1 -63.3 -40.0 51.7 6.1 -2.5 101 114 A E H X S+ 0 0 83 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.892 107.9 52.0 -59.9 -42.0 52.6 6.4 1.1 102 115 A A H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.932 110.0 48.8 -56.8 -50.1 49.2 4.8 2.1 103 116 A L H X S+ 0 0 49 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.875 111.3 50.5 -62.1 -35.9 49.9 1.9 -0.3 104 117 A X H X S+ 0 0 14 -4,-2.0 4,-2.3 2,-0.2 -48,-0.3 0.918 109.9 49.1 -68.1 -45.8 53.3 1.5 1.2 105 118 A T H X S+ 0 0 15 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.929 110.0 52.4 -54.8 -45.3 52.0 1.5 4.7 106 119 A H H X S+ 0 0 20 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.920 109.2 49.5 -60.1 -42.1 49.4 -1.1 3.6 107 120 A E H X S+ 0 0 34 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.903 109.7 51.5 -60.9 -42.1 52.2 -3.2 2.2 108 121 A I H >X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 3,-0.5 0.913 107.1 52.4 -59.8 -48.3 54.3 -3.0 5.4 109 122 A V H 3X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.3 6,-0.3 0.874 104.7 57.1 -61.4 -35.6 51.3 -4.1 7.6 110 123 A R H 3X>S+ 0 0 48 -4,-1.6 4,-0.8 -5,-0.3 5,-0.8 0.870 106.6 49.2 -60.3 -34.8 50.9 -7.1 5.3 111 124 A V H <<5S+ 0 0 27 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.918 113.9 46.1 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4.9 173 39 B G > - 0 0 39 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.206 39.9-106.1 -60.9 161.0 1.2 0.8 5.8 174 40 B T H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.892 118.0 39.7 -62.8 -45.0 -0.9 1.9 8.7 175 41 B K H > S+ 0 0 169 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.966 113.9 54.6 -68.5 -50.1 0.5 -0.6 11.3 176 42 B E H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.858 108.8 48.9 -47.0 -43.2 4.0 -0.1 10.0 177 43 B Y H X S+ 0 0 60 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.848 108.9 53.1 -75.0 -31.2 3.8 3.6 10.5 178 44 B E H X S+ 0 0 101 -4,-1.5 4,-2.2 -3,-0.4 -2,-0.2 0.968 111.7 44.9 -59.9 -52.2 2.5 3.3 14.0 179 45 B V H X S+ 0 0 76 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.918 115.7 48.0 -61.2 -42.8 5.3 1.0 15.0 180 46 B F H X S+ 0 0 14 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.884 109.3 51.1 -66.4 -39.6 7.8 3.4 13.3 181 47 B T H X S+ 0 0 57 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.907 112.7 47.9 -67.0 -38.8 6.5 6.6 14.8 182 48 B K H X S+ 0 0 135 -4,-2.2 4,-2.0 2,-0.2 3,-0.3 0.927 111.1 48.7 -60.8 -54.6 6.7 5.0 18.2 183 49 B E H X S+ 0 0 36 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-2,-0.2 -5,-0.2 -3,-0.2 0.856 135.6 11.7 -78.0 -35.8 17.3 12.8 28.1 194 60 B Y H < S+ 0 0 110 -4,-2.6 8,-0.5 -5,-0.2 -3,-0.2 0.493 98.5 108.4-122.7 -10.3 20.8 11.4 27.8 195 61 B G B < -B 201 0B 24 -4,-1.1 6,-0.2 -5,-0.5 5,-0.0 -0.332 59.3-126.7 -79.8 156.5 22.4 13.1 24.8 196 62 B D > - 0 0 48 4,-2.3 3,-2.8 -2,-0.1 -1,-0.1 -0.037 52.3 -65.2 -82.2-168.1 25.1 15.7 24.9 197 63 B A T 3 S+ 0 0 107 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.778 139.9 43.3 -52.3 -29.7 25.2 19.1 23.2 198 64 B N T 3 S- 0 0 81 2,-0.1 -1,-0.3 60,-0.0 3,-0.1 0.209 122.0-105.3 -99.1 13.0 25.1 17.5 19.8 199 65 B G S < S+ 0 0 23 -3,-2.8 2,-0.4 1,-0.2 -2,-0.1 0.599 73.1 143.6 69.2 13.4 22.5 14.9 20.8 200 66 B N - 0 0 23 57,-0.1 -4,-2.3 -6,-0.0 2,-0.4 -0.714 40.2-141.1 -85.1 134.7 25.0 12.0 21.0 201 67 B I B -B 195 0B 1 -2,-0.4 2,-1.3 -6,-0.2 57,-0.2 -0.744 10.4-137.3 -96.7 136.3 24.5 9.5 23.8 202 68 B D >> - 0 0 32 -8,-0.5 3,-1.5 -2,-0.4 4,-0.6 -0.747 24.9-176.0 -82.1 87.8 27.1 7.8 25.9 203 69 B Y G >4 S+ 0 0 15 -2,-1.3 3,-0.7 48,-0.3 -1,-0.2 0.794 76.7 64.1 -61.3 -28.4 25.5 4.3 25.7 204 70 B D G 34 S+ 0 0 58 1,-0.2 -1,-0.3 47,-0.1 -2,-0.0 0.730 97.4 56.7 -68.1 -22.6 28.1 2.9 28.1 205 71 B A G <4 S+ 0 0 81 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.733 93.2 88.5 -76.4 -25.1 26.9 5.2 31.0 206 72 B L S << S- 0 0 19 -3,-0.7 -12,-0.0 -4,-0.6 -3,-0.0 -0.321 90.3 -94.7 -72.4 156.1 23.3 3.8 30.7 207 73 B S > - 0 0 65 1,-0.1 4,-2.5 -2,-0.1 3,-0.3 -0.377 36.6-111.0 -64.0 149.5 22.0 0.8 32.6 208 74 B P H > S+ 0 0 83 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.840 117.5 54.1 -50.4 -36.7 22.2 -2.6 30.7 209 75 B E H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.913 110.7 43.4 -70.3 -40.9 18.4 -2.6 30.5 210 76 B K H > S+ 0 0 59 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.890 112.8 53.8 -68.0 -36.8 18.1 0.8 28.8 211 77 B R H X S+ 0 0 67 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.921 107.7 50.6 -64.2 -42.3 21.0 -0.1 26.6 212 78 B E H X S+ 0 0 128 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.937 110.9 50.3 -56.6 -44.4 19.1 -3.2 25.5 213 79 B E H X S+ 0 0 82 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.897 109.8 48.5 -60.9 -44.2 16.0 -1.1 24.8 214 80 B X H X S+ 0 0 10 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.921 110.1 51.7 -66.7 -38.2 17.9 1.4 22.7 215 81 B K H X S+ 0 0 41 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.903 109.0 51.4 -67.2 -38.5 19.6 -1.3 20.7 216 82 B T H X S+ 0 0 90 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.951 110.0 49.4 -60.5 -46.9 16.1 -2.8 20.0 217 83 B V H X S+ 0 0 5 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.940 111.6 48.1 -56.9 -46.0 14.8 0.5 18.8 218 84 B S H X S+ 0 0 22 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.904 106.7 56.6 -72.6 -32.1 17.7 1.1 16.4 219 85 B X H < S+ 0 0 40 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.919 110.3 45.8 -56.0 -42.5 17.4 -2.5 15.0 220 86 B G H < S+ 0 0 34 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.855 118.0 41.3 -71.8 -33.3 13.8 -1.6 14.1 221 87 B L H >X S+ 0 0 1 -4,-2.0 4,-1.6 1,-0.2 3,-0.6 0.674 93.1 87.0 -84.5 -19.4 14.6 1.8 12.6 222 88 B Q H 3X S+ 0 0 16 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.831 83.1 53.8 -60.4 -39.3 17.8 0.7 10.8 223 89 B P H 3> S+ 0 0 42 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.844 106.4 52.8 -68.6 -34.6 16.3 -0.5 7.5 224 90 B Y H <> S+ 0 0 29 -3,-0.6 4,-2.4 -4,-0.3 -2,-0.2 0.916 110.5 48.7 -56.6 -44.2 14.5 2.8 7.0 225 91 B F H X S+ 0 0 50 -4,-1.6 4,-1.7 2,-0.2 6,-0.2 0.898 108.7 53.4 -65.6 -37.6 17.9 4.6 7.4 226 92 B D H <>S+ 0 0 4 -4,-2.4 5,-3.0 2,-0.2 -1,-0.2 0.921 109.1 48.9 -59.1 -46.0 19.4 2.2 4.9 227 93 B K H ><5S+ 0 0 141 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.899 109.1 51.2 -60.9 -45.2 16.7 3.1 2.4 228 94 B L H 3<5S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.816 109.0 53.1 -60.5 -30.9 17.3 6.8 2.9 229 95 B N T 3<5S- 0 0 114 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.463 118.7-116.0 -78.3 -0.5 21.0 6.1 2.3 230 96 B G T < 5S+ 0 0 46 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.727 75.4 124.9 67.4 24.5 20.1 4.4 -0.9 231 97 B H < - 0 0 45 -5,-3.0 -1,-0.3 -6,-0.2 63,-0.2 -0.754 67.1-102.2-110.1 160.2 21.3 1.1 0.3 232 98 B K - 0 0 96 61,-1.5 2,-0.2 -2,-0.3 -1,-0.1 -0.308 59.4 -76.5 -65.5 160.1 19.9 -2.3 0.7 233 99 B S > - 0 0 16 1,-0.1 4,-1.5 -7,-0.0 3,-0.3 -0.447 30.4-151.5 -65.4 129.2 18.8 -3.3 4.2 234 100 B S H > S+ 0 0 0 1,-0.2 4,-1.4 -2,-0.2 -1,-0.1 0.807 97.0 62.9 -73.6 -25.7 21.6 -4.3 6.5 235 101 B K H 4 S+ 0 0 113 1,-0.2 -1,-0.2 2,-0.2 8,-0.1 0.874 106.1 45.1 -61.6 -37.5 19.3 -6.6 8.3 236 102 B E H 4 S+ 0 0 164 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.824 116.3 42.7 -76.6 -36.8 18.8 -8.7 5.1 237 103 B V H < S+ 0 0 32 -4,-1.5 2,-0.3 2,-0.1 -2,-0.2 0.634 108.4 69.9 -88.0 -13.2 22.5 -8.9 4.1 238 104 B L S < S- 0 0 14 -4,-1.4 2,-0.1 -5,-0.2 -5,-0.0 -0.716 80.9-116.6-107.8 156.3 23.8 -9.6 7.6 239 105 B T > - 0 0 74 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.295 36.2-105.5 -71.8 165.1 23.5 -12.5 9.9 240 106 B Q H > S+ 0 0 180 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.943 124.2 46.0 -62.1 -48.9 21.7 -12.1 13.3 241 107 B E H > S+ 0 0 161 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 114.2 48.6 -55.7 -46.1 25.1 -12.1 15.1 242 108 B E H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.850 108.9 52.2 -66.1 -36.2 26.6 -9.7 12.6 243 109 B F H X S+ 0 0 10 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.868 110.4 49.3 -70.8 -35.8 23.6 -7.3 12.8 244 110 B D H X S+ 0 0 54 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.914 110.8 48.8 -63.2 -47.5 23.9 -7.3 16.6 245 111 B R H X S+ 0 0 118 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.900 109.1 55.6 -59.2 -40.8 27.7 -6.6 16.3 246 112 B Y H X S+ 0 0 25 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.908 105.3 49.4 -57.5 -47.4 26.7 -3.8 13.8 247 113 B X H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.912 112.6 50.0 -61.1 -41.1 24.4 -2.0 16.3 248 114 B E H X S+ 0 0 80 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.789 107.8 52.2 -61.5 -35.1 27.2 -2.2 18.8 249 115 B A H X S+ 0 0 6 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.914 110.0 49.1 -67.3 -44.4 29.7 -0.8 16.4 250 116 B L H X S+ 0 0 48 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.860 111.3 50.4 -63.5 -37.7 27.3 2.1 15.8 251 117 B X H X S+ 0 0 12 -4,-2.0 4,-2.3 2,-0.2 -48,-0.3 0.908 109.0 50.4 -67.0 -45.9 26.9 2.6 19.5 252 118 B T H X S+ 0 0 8 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.932 109.6 51.9 -54.2 -45.9 30.7 2.6 20.0 253 119 B H H X S+ 0 0 23 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.904 109.7 48.6 -61.5 -41.3 31.0 5.2 17.3 254 120 B E H X S+ 0 0 32 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.897 109.3 53.2 -64.8 -39.7 28.4 7.4 19.0 255 121 B I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.905 107.9 50.7 -59.6 -44.2 30.2 7.1 22.4 256 122 B V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 6,-0.3 0.886 104.9 56.7 -65.6 -37.3 33.5 8.2 20.8 257 123 B R H <>S+ 0 0 54 -4,-1.9 5,-1.1 -5,-0.2 -1,-0.2 0.883 108.8 48.5 -58.4 -35.2 31.7 11.2 19.3 258 124 B V H ><5S+ 0 0 27 -4,-1.5 3,-0.6 -57,-0.2 -2,-0.2 0.919 112.4 46.8 -68.8 -45.7 30.7 12.0 23.0 259 125 B K H 3<5S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.778 122.7 34.1 -68.0 -34.5 34.2 11.6 24.3 260 126 B T T 3<5S- 0 0 5 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.289 98.1-137.9 -99.4 6.7 35.9 13.6 21.6 261 127 B K T < 5 + 0 0 167 -3,-0.6 2,-0.4 -4,-0.2 -3,-0.2 0.812 52.9 149.1 31.5 48.4 32.9 16.0 21.3 262 128 B S < - 0 0 24 -5,-1.1 -1,-0.2 -6,-0.3 -2,-0.1 -0.897 37.5-172.7-114.1 136.4 33.4 15.8 17.6 263 129 B T S S+ 0 0 107 -2,-0.4 -1,-0.1 -3,-0.1 3,-0.1 0.656 74.5 28.3 -99.6 -22.5 30.6 16.0 15.0 264 130 B G S S- 0 0 39 1,-0.4 2,-0.3 -7,-0.1 -2,-0.1 0.421 116.7 -1.6-107.0-119.2 32.4 15.2 11.8 265 131 B A - 0 0 77 1,-0.0 -1,-0.4 2,-0.0 2,-0.3 -0.610 68.1-134.5 -79.3 134.9 35.5 13.0 11.2 266 132 B I - 0 0 16 -2,-0.3 2,-0.7 -3,-0.1 3,-0.1 -0.695 11.7-136.8 -86.2 141.9 37.0 11.5 14.3 267 133 B K > - 0 0 143 -2,-0.3 3,-1.9 1,-0.1 4,-0.4 -0.934 6.4-145.2-100.2 116.4 40.7 11.8 14.6 268 134 B V G > S+ 0 0 17 -2,-0.7 3,-1.1 1,-0.3 -1,-0.1 0.792 98.3 61.9 -47.1 -35.2 42.0 8.5 15.9 269 135 B E G 3 S+ 0 0 130 1,-0.2 -1,-0.3 -139,-0.1 7,-0.1 0.851 100.0 54.4 -62.2 -32.3 44.7 10.4 17.8 270 136 B E G < S+ 0 0 123 -3,-1.9 -1,-0.2 2,-0.0 -2,-0.2 0.456 83.0 106.0 -84.6 0.2 42.1 12.2 19.9 271 137 B V S < S- 0 0 4 -3,-1.1 5,-0.2 -4,-0.4 -15,-0.0 -0.650 80.7-105.9 -84.4 127.4 40.3 9.1 21.2 272 138 B P >> - 0 0 51 0, 0.0 3,-2.0 0, 0.0 4,-1.0 -0.126 29.2-114.6 -50.4 150.3 40.9 8.2 24.8 273 139 B E H >> S+ 0 0 142 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.870 114.1 62.8 -56.2 -40.3 43.2 5.2 25.3 274 140 B A H 34 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.714 113.5 34.5 -57.2 -21.5 40.4 3.1 26.8 275 141 B Y H <> S+ 0 0 31 -3,-2.0 4,-3.1 2,-0.1 -1,-0.2 0.491 89.1 94.1-118.1 -10.3 38.4 3.4 23.5 276 142 B K H S+ 0 0 96 -4,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.901 111.9 50.0 -59.6 -43.9 37.3 -0.6 20.3 279 145 B F H X S+ 0 0 5 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.947 109.9 48.8 -60.7 -50.0 36.8 2.4 18.0 280 146 B X H X S+ 0 0 12 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.908 110.7 51.4 -61.0 -41.3 39.1 1.2 15.3 281 147 B K H X S+ 0 0 92 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.912 110.4 49.4 -63.6 -36.8 37.4 -2.2 15.3 282 148 B A H X S+ 0 0 6 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.910 109.4 51.2 -68.8 -39.9 34.0 -0.5 15.0 283 149 B E H X S+ 0 0 38 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.944 111.6 48.3 -60.1 -43.1 35.1 1.6 12.1 284 150 B Q H X S+ 0 0 30 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.947 112.4 47.5 -65.6 -43.1 36.4 -1.4 10.3 285 151 B F H X S+ 0 0 29 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.901 109.3 53.6 -66.0 -37.7 33.2 -3.3 10.9 286 152 B X H X S+ 0 0 42 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.915 108.8 50.2 -64.4 -38.9 31.0 -0.4 9.8 287 153 B E H X S+ 0 0 36 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.901 108.4 51.8 -60.3 -44.5 33.0 -0.3 6.5 288 154 B Y H X S+ 0 0 68 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.927 112.4 46.0 -60.3 -42.3 32.5 -4.0 6.0 289 155 B V H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.919 109.1 55.4 -64.4 -42.3 28.8 -3.6 6.4 290 156 B D H X S+ 0 0 55 -4,-2.4 4,-0.5 1,-0.2 3,-0.4 0.924 106.4 50.7 -59.5 -44.9 28.7 -0.6 4.2 291 157 B E H >< S+ 0 0 129 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.840 106.7 54.9 -63.1 -31.9 30.3 -2.5 1.3 292 158 B K H 3< S+ 0 0 92 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.821 113.5 41.0 -68.6 -29.8 27.8 -5.4 1.7 293 159 B V H 3< 0 0 3 -4,-1.6 -61,-1.5 -3,-0.4 -1,-0.2 0.440 360.0 360.0 -93.0 3.1 24.9 -3.0 1.3 294 160 B R << 0 0 153 -3,-0.6 -4,-0.1 -4,-0.5 -3,-0.1 -0.263 360.0 360.0 87.1 360.0 26.6 -0.9 -1.5