==== 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 UNKNOWN FUNCTION 01-DEC-06 2O3L . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 164 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 79.3 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 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 2 1 0 0 0 1 0 1 0 0 1 0 2 0 0 1 1 0 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 . 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 13 A G > 0 0 93 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-137.5 5.5 23.2 15.7 2 14 A E H > + 0 0 91 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.867 360.0 47.5 -57.5 -50.1 1.8 23.7 15.2 3 15 A Y H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.954 114.5 45.7 -62.5 -46.8 1.9 26.1 12.2 4 16 A K H > S+ 0 0 141 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.916 114.1 49.8 -62.3 -41.5 4.4 23.9 10.2 5 17 A X H X S+ 0 0 108 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.862 110.9 49.5 -62.4 -39.3 2.4 20.8 11.0 6 18 A X H X S+ 0 0 10 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.889 110.6 49.2 -71.9 -38.7 -0.8 22.4 9.9 7 19 A X H X S+ 0 0 41 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.872 107.9 55.9 -68.6 -32.1 0.8 23.6 6.6 8 20 A A H X S+ 0 0 58 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.900 104.8 52.4 -64.1 -39.9 2.1 20.0 6.1 9 21 A R H >< S+ 0 0 55 -4,-1.7 3,-0.5 2,-0.2 4,-0.5 0.862 108.0 51.3 -62.1 -36.1 -1.5 18.7 6.4 10 22 A V H >< S+ 0 0 13 -4,-1.4 3,-1.6 1,-0.2 -2,-0.2 0.930 106.1 55.1 -65.9 -41.9 -2.6 21.2 3.8 11 23 A A H 3< S+ 0 0 63 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.652 102.0 58.5 -65.7 -15.4 0.2 20.0 1.5 12 24 A A T << S+ 0 0 83 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.589 90.3 91.2 -92.3 -11.8 -1.1 16.4 1.9 13 25 A L S < S- 0 0 14 -3,-1.6 5,-0.1 -4,-0.5 38,-0.1 -0.357 95.3 -80.5 -76.6 161.8 -4.5 17.4 0.5 14 26 A P >> - 0 0 65 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.257 48.3-105.6 -58.3 154.5 -5.4 17.2 -3.2 15 27 A E H 3> S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.833 119.4 54.0 -55.4 -38.7 -4.1 20.2 -5.3 16 28 A D H 3> S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 108.6 49.5 -66.7 -37.2 -7.5 21.9 -5.6 17 29 A Y H <> S+ 0 0 3 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.878 110.5 52.5 -62.4 -40.5 -8.0 21.8 -1.8 18 30 A Q H X S+ 0 0 69 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.899 109.2 47.4 -61.1 -41.9 -4.5 23.3 -1.5 19 31 A F H X S+ 0 0 117 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.917 113.4 47.7 -71.3 -41.1 -5.3 26.2 -3.9 20 32 A V H X S+ 0 0 9 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.902 110.2 52.0 -67.2 -42.0 -8.6 27.0 -2.2 21 33 A F H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.903 110.1 49.6 -54.8 -48.0 -7.0 26.9 1.2 22 34 A K H X S+ 0 0 109 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.876 108.2 53.5 -59.2 -40.8 -4.3 29.3 -0.0 23 35 A K H X S+ 0 0 96 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.949 112.6 44.1 -58.7 -48.1 -7.0 31.6 -1.4 24 36 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.886 111.2 52.9 -65.4 -43.3 -8.8 31.7 2.0 25 37 A Q H X S+ 0 0 17 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.951 113.6 44.1 -58.8 -45.8 -5.6 32.2 4.0 26 38 A N H X S+ 0 0 69 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.905 110.9 53.8 -66.3 -40.9 -4.7 35.1 1.8 27 39 A Y H X S+ 0 0 40 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.951 110.3 48.0 -59.1 -43.9 -8.3 36.5 2.0 28 40 A X H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.909 112.6 47.2 -66.7 -40.2 -8.1 36.4 5.8 29 41 A W H < S+ 0 0 139 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.835 114.8 49.0 -68.5 -32.2 -4.7 38.1 5.9 30 42 A N H < S+ 0 0 118 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.861 129.5 16.9 -70.2 -40.5 -6.0 40.7 3.5 31 43 A F H < S+ 0 0 125 -4,-2.5 2,-0.2 -5,-0.2 -2,-0.2 0.582 90.5 114.1-116.9 -13.4 -9.2 41.5 5.3 32 44 A S < - 0 0 32 -4,-3.0 2,-0.2 -5,-0.3 45,-0.0 -0.489 35.8-175.1 -70.7 124.7 -9.1 40.2 8.9 33 45 A A + 0 0 64 -2,-0.2 -2,-0.1 43,-0.1 -3,-0.0 -0.470 53.3 56.8 -84.3 178.3 -9.1 42.7 11.6 34 46 A G S S- 0 0 70 -2,-0.2 5,-0.0 4,-0.0 -2,-0.0 -0.024 96.3 -19.9 83.8 172.7 -8.6 41.1 14.9 35 47 A N > - 0 0 92 1,-0.1 4,-1.8 3,-0.1 3,-0.4 -0.157 45.3-139.0 -66.1 132.1 -6.1 38.9 16.5 36 48 A G H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.820 104.5 58.0 -55.1 -35.9 -3.7 36.9 14.4 37 49 A X H > S+ 0 0 95 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.857 103.5 52.1 -64.5 -37.2 -4.2 33.9 16.8 38 50 A D H > S+ 0 0 56 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.906 109.2 49.6 -61.4 -45.4 -8.0 33.9 16.1 39 51 A X H X S+ 0 0 15 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.901 112.3 48.1 -62.6 -39.4 -7.4 33.8 12.4 40 52 A L H X S+ 0 0 36 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.914 109.7 51.9 -67.3 -44.7 -4.9 30.9 12.8 41 53 A H H X S+ 0 0 25 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.940 110.4 49.6 -57.8 -39.9 -7.3 29.0 15.1 42 54 A I H X S+ 0 0 10 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.901 109.3 51.3 -67.5 -40.4 -10.0 29.4 12.4 43 55 A Q H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.872 108.2 52.2 -63.5 -34.9 -7.6 28.2 9.7 44 56 A Y H X S+ 0 0 6 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.922 109.3 49.2 -67.4 -40.7 -6.8 25.1 11.8 45 57 A E H X S+ 0 0 6 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.905 109.8 52.9 -60.7 -40.1 -10.5 24.4 12.1 46 58 A L H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.868 105.7 52.6 -65.8 -34.5 -10.8 24.8 8.4 47 59 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.875 107.9 51.8 -69.3 -38.2 -8.0 22.3 7.8 48 60 A D H X S+ 0 0 36 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.923 112.9 45.7 -57.9 -45.2 -9.8 19.7 10.0 49 61 A L H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.928 114.2 47.3 -66.3 -45.6 -12.9 20.3 7.8 50 62 A F H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.895 110.8 52.1 -63.6 -40.6 -11.0 20.1 4.5 51 63 A E H X S+ 0 0 69 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.887 111.8 46.4 -62.0 -41.7 -9.2 16.9 5.6 52 64 A A H X S+ 0 0 36 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.933 112.6 49.4 -65.0 -49.1 -12.5 15.3 6.5 53 65 A G H X>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-0.7 0.918 112.4 47.2 -56.9 -44.8 -14.1 16.4 3.3 54 66 A A H ><5S+ 0 0 26 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.916 111.0 53.3 -63.5 -41.9 -11.2 15.1 1.2 55 67 A A H 3<5S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 109.3 47.8 -60.1 -33.6 -11.3 11.8 3.2 56 68 A E H 3<5S- 0 0 70 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.549 120.5-111.9 -83.1 -12.1 -15.0 11.4 2.4 57 69 A G T <<5 + 0 0 60 -3,-0.9 -3,-0.2 -4,-0.7 2,-0.2 0.646 64.9 147.3 91.5 21.1 -14.3 12.2 -1.3 58 70 A R < - 0 0 61 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.3 -0.525 50.5-112.3 -85.1 158.0 -16.0 15.5 -1.6 59 71 A Q >> - 0 0 110 -2,-0.2 3,-1.8 1,-0.1 4,-0.8 -0.638 24.6-121.2 -86.7 143.8 -14.8 18.2 -3.9 60 72 A V H >> S+ 0 0 3 -2,-0.3 4,-1.9 1,-0.3 3,-1.4 0.872 109.9 57.8 -55.5 -39.4 -13.5 21.4 -2.2 61 73 A L H 3> S+ 0 0 74 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.635 95.3 64.6 -71.7 -15.0 -16.0 23.7 -3.9 62 74 A D H <4 S+ 0 0 75 -3,-1.8 57,-0.3 2,-0.2 -1,-0.3 0.767 108.4 43.4 -62.9 -35.8 -18.8 21.7 -2.4 63 75 A I H << S+ 0 0 2 -3,-1.4 56,-2.7 -4,-0.8 57,-0.5 0.954 127.6 25.9 -75.3 -52.2 -17.5 22.9 0.9 64 76 A T H < S- 0 0 11 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.717 99.2-129.5 -85.6 -22.0 -16.8 26.5 0.1 65 77 A G < - 0 0 32 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.134 41.5 -75.6 75.0 168.6 -19.2 27.2 -2.7 66 78 A E S S+ 0 0 173 1,-0.2 2,-1.5 -2,-0.1 3,-0.2 0.820 122.5 74.3 -72.3 -31.5 -17.9 28.8 -5.8 67 79 A D > + 0 0 102 1,-0.2 4,-1.7 -3,-0.1 3,-0.2 -0.641 59.1 172.7 -84.3 86.9 -17.6 32.2 -4.2 68 80 A V H > S+ 0 0 5 -2,-1.5 4,-2.9 1,-0.2 5,-0.3 0.845 74.5 58.7 -67.4 -34.1 -14.6 31.6 -2.0 69 81 A A H > S+ 0 0 44 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.920 106.3 48.2 -61.7 -40.4 -14.4 35.2 -0.9 70 82 A S H > S+ 0 0 57 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 112.2 49.8 -69.8 -36.0 -17.9 35.1 0.5 71 83 A F H X S+ 0 0 6 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.951 115.0 42.8 -59.3 -52.1 -17.0 31.8 2.3 72 84 A A H X S+ 0 0 0 -4,-2.9 4,-3.4 1,-0.2 5,-0.2 0.906 111.8 55.7 -65.3 -35.5 -13.8 33.3 3.8 73 85 A D H X S+ 0 0 78 -4,-2.8 4,-1.2 1,-0.3 -1,-0.2 0.901 109.4 45.2 -66.0 -41.4 -15.7 36.5 4.5 74 86 A E H X S+ 0 0 74 -4,-2.1 4,-1.8 2,-0.2 -1,-0.3 0.684 112.3 53.3 -75.3 -21.0 -18.2 34.6 6.6 75 87 A L H X S+ 0 0 9 -4,-1.3 4,-0.6 -3,-0.2 -2,-0.2 0.910 109.5 46.1 -77.0 -47.4 -15.4 32.7 8.2 76 88 A V H < S+ 0 0 33 -4,-3.4 4,-0.5 2,-0.2 -2,-0.2 0.774 115.8 49.4 -63.9 -23.7 -13.6 35.9 9.3 77 89 A A H >X S+ 0 0 58 -4,-1.2 3,-0.8 -5,-0.2 4,-0.5 0.916 113.2 42.5 -81.6 -45.6 -17.0 37.2 10.5 78 90 A N H 3X S+ 0 0 50 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.425 93.0 89.2 -78.4 -0.9 -18.0 34.1 12.5 79 91 A A H 3X S+ 0 0 5 -4,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.949 86.7 51.6 -54.3 -49.0 -14.3 34.2 13.7 80 92 A K H <4 S+ 0 0 87 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.933 113.5 40.6 -52.1 -57.8 -15.6 36.4 16.5 81 93 A T H < S+ 0 0 100 -4,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.887 123.9 39.0 -62.8 -39.5 -18.4 34.1 17.6 82 94 A Y H < 0 0 34 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.965 360.0 360.0 -80.2 -58.3 -16.3 30.9 17.2 83 95 A V < 0 0 38 -4,-2.4 -1,-0.2 -5,-0.3 -45,-0.1 -0.652 360.0 360.0 -87.4 360.0 -12.7 31.5 18.4 84 !* 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 85 14 B E 0 0 245 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.1 -6.5 28.3 25.8 86 15 B Y - 0 0 45 -3,-0.1 2,-0.6 1,-0.0 -3,-0.1 -0.739 360.0-150.8 -78.2 124.9 -8.4 27.9 22.5 87 16 B K - 0 0 116 -2,-0.5 5,-0.1 2,-0.0 -1,-0.0 -0.891 12.8-127.7-104.1 119.9 -9.8 24.3 22.4 88 17 B X > - 0 0 29 -2,-0.6 4,-2.1 1,-0.1 3,-0.4 -0.255 21.1-116.0 -60.7 144.9 -10.2 22.8 19.0 89 18 B X H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.866 116.0 49.5 -47.4 -46.9 -13.5 21.4 18.1 90 19 B X H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.845 108.8 53.1 -74.7 -25.9 -12.2 17.8 17.7 91 20 B A H > S+ 0 0 40 -3,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.835 109.0 49.9 -66.3 -36.7 -10.4 18.1 21.1 92 21 B R H < S+ 0 0 44 -4,-2.1 3,-0.5 2,-0.2 4,-0.5 0.903 110.6 49.5 -69.8 -39.2 -13.7 19.2 22.7 93 22 B V H >< S+ 0 0 3 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.904 107.3 54.9 -61.8 -41.0 -15.4 16.2 21.0 94 23 B A H 3< S+ 0 0 61 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.706 102.2 58.6 -68.0 -19.9 -12.6 13.9 22.4 95 24 B A T 3< S+ 0 0 65 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.612 90.1 93.8 -85.3 -8.7 -13.3 15.2 25.9 96 25 B L S < S- 0 0 11 -3,-1.4 5,-0.1 -4,-0.5 38,-0.1 -0.393 92.0 -85.2 -76.4 158.6 -16.9 14.0 25.7 97 26 B P >> - 0 0 59 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.245 44.3-107.9 -55.9 152.7 -18.1 10.6 27.0 98 27 B E H 3> S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.789 118.3 55.8 -55.8 -36.6 -17.6 7.8 24.4 99 28 B D H 3> S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.896 110.4 46.4 -61.4 -43.4 -21.5 7.6 23.7 100 29 B Y H <> S+ 0 0 2 -3,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.905 111.7 51.4 -66.8 -42.0 -21.5 11.2 22.9 101 30 B Q H X S+ 0 0 60 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.924 108.3 51.3 -59.4 -46.0 -18.4 10.9 20.7 102 31 B F H X S+ 0 0 143 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.908 113.8 43.9 -60.1 -40.4 -19.9 8.0 18.8 103 32 B V H X S+ 0 0 8 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.910 110.2 54.8 -75.5 -41.3 -23.1 10.0 18.0 104 33 B F H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.931 111.5 45.0 -53.6 -47.3 -21.3 13.2 17.1 105 34 B K H X S+ 0 0 56 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.837 109.5 54.8 -69.3 -35.7 -19.2 11.2 14.5 106 35 B K H X S+ 0 0 71 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.876 109.4 48.7 -64.1 -38.2 -22.3 9.5 13.2 107 36 B I H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.923 110.4 50.1 -67.0 -43.4 -23.9 12.9 12.7 108 37 B Q H X S+ 0 0 28 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.895 110.6 50.5 -61.3 -42.7 -20.8 14.2 10.9 109 38 B N H X S+ 0 0 72 -4,-2.3 4,-1.8 1,-0.2 5,-0.3 0.923 109.8 50.3 -60.4 -44.2 -20.8 11.2 8.6 110 39 B Y H X S+ 0 0 45 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.905 110.5 49.6 -57.9 -46.5 -24.4 11.7 7.8 111 40 B X H X S+ 0 0 2 -4,-2.3 4,-0.9 1,-0.2 6,-0.3 0.916 112.3 47.1 -62.0 -43.8 -23.8 15.4 6.9 112 41 B W H < S+ 0 0 8 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.832 125.7 27.2 -64.5 -34.7 -20.9 14.6 4.6 113 42 B N H < S+ 0 0 76 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.822 131.6 24.2-102.4 -38.2 -22.6 11.8 2.7 114 43 B F H < S+ 0 0 139 -4,-2.8 2,-0.3 -5,-0.3 -3,-0.2 0.252 101.5 79.7-122.3 10.4 -26.4 12.4 2.8 115 44 B S < - 0 0 19 -4,-0.9 41,-0.0 -5,-0.3 40,-0.0 -0.764 68.8-132.1-117.4 163.6 -27.0 16.2 3.4 116 45 B A + 0 0 80 -2,-0.3 2,-0.1 2,-0.0 -4,-0.1 0.082 62.4 139.7 -93.4 17.4 -27.0 19.3 1.2 117 46 B G - 0 0 4 -6,-0.3 2,-0.1 4,-0.1 -2,-0.1 -0.381 39.6-153.8 -65.6 135.1 -24.9 21.0 3.9 118 47 B N > - 0 0 57 -2,-0.1 4,-2.4 -54,-0.1 -55,-0.2 -0.414 39.5 -87.6 -91.3-176.4 -22.0 23.3 2.8 119 48 B G H > S+ 0 0 0 -56,-2.7 4,-3.1 -57,-0.3 5,-0.2 0.894 128.3 51.4 -62.6 -39.2 -18.9 24.0 4.9 120 49 B X H > S+ 0 0 10 -57,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.910 110.5 49.8 -64.8 -42.9 -20.5 26.9 6.7 121 50 B D H > S+ 0 0 11 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.929 112.8 47.6 -56.2 -48.0 -23.5 24.7 7.6 122 51 B X H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.919 112.3 47.5 -67.6 -41.3 -21.2 22.0 8.9 123 52 B L H X S+ 0 0 10 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.939 113.2 49.9 -60.1 -45.6 -19.1 24.3 10.9 124 53 B H H X S+ 0 0 58 -4,-3.0 4,-1.8 -5,-0.2 -2,-0.2 0.922 112.3 47.5 -62.5 -41.8 -22.3 25.9 12.3 125 54 B I H X S+ 0 0 4 -4,-2.8 4,-3.6 2,-0.2 5,-0.3 0.942 109.6 51.9 -62.7 -46.0 -23.8 22.5 13.2 126 55 B Q H X S+ 0 0 14 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.894 109.5 50.2 -62.2 -40.4 -20.6 21.2 14.9 127 56 B Y H X S+ 0 0 45 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.3 0.886 115.4 43.0 -63.8 -36.7 -20.5 24.3 17.0 128 57 B E H X S+ 0 0 119 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.918 113.5 51.5 -70.9 -45.3 -24.2 23.8 18.0 129 58 B L H X S+ 0 0 1 -4,-3.6 4,-2.7 1,-0.2 5,-0.2 0.873 108.5 50.4 -62.5 -39.2 -23.8 20.1 18.5 130 59 B I H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.883 110.3 50.7 -70.8 -34.6 -20.7 20.6 20.8 131 60 B D H X S+ 0 0 90 -4,-1.4 4,-1.5 -5,-0.2 -2,-0.2 0.932 114.7 43.5 -63.3 -45.9 -22.7 23.1 22.9 132 61 B L H X S+ 0 0 68 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.895 116.8 46.3 -62.2 -47.3 -25.6 20.7 23.3 133 62 B F H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.895 110.1 51.2 -71.2 -39.5 -23.5 17.7 23.9 134 63 B E H X S+ 0 0 69 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.833 111.8 49.1 -64.6 -35.1 -21.2 19.4 26.5 135 64 B A H X S+ 0 0 55 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.909 113.0 46.4 -68.4 -45.6 -24.4 20.5 28.4 136 65 B G H <>S+ 0 0 3 -4,-2.3 5,-2.7 1,-0.2 4,-0.4 0.930 114.4 47.1 -62.8 -49.2 -25.9 17.0 28.3 137 66 B A H ><5S+ 0 0 27 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.892 108.5 54.7 -58.1 -42.8 -22.6 15.4 29.4 138 67 B A H 3<5S+ 0 0 89 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.826 108.6 50.4 -60.6 -33.3 -22.1 18.0 32.2 139 68 B E T 3<5S- 0 0 134 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.503 115.6-118.7 -73.5 -11.3 -25.6 17.0 33.5 140 69 B G T < 5 + 0 0 70 -3,-1.3 2,-0.2 -4,-0.4 -3,-0.2 0.795 63.0 152.6 70.1 28.8 -24.7 13.3 33.4 141 70 B R < - 0 0 117 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.594 51.4-107.8 -91.6 152.2 -27.4 12.7 30.8 142 71 B Q >> - 0 0 137 -2,-0.2 3,-2.0 1,-0.1 4,-0.6 -0.644 29.0-123.4 -76.6 138.1 -27.4 9.9 28.2 143 72 B V H >> S+ 0 0 5 -2,-0.3 4,-1.8 1,-0.3 3,-1.5 0.831 107.3 59.7 -52.9 -39.5 -26.8 11.3 24.6 144 73 B L H 3> S+ 0 0 78 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.674 91.4 68.3 -71.8 -14.7 -30.0 9.8 23.1 145 74 B D H <4 S+ 0 0 90 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.843 109.9 37.5 -59.8 -36.1 -32.1 11.8 25.6 146 75 B I H << S+ 0 0 45 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.1 0.854 127.2 32.2 -85.2 -41.7 -30.9 14.9 23.7 147 76 B T H < S- 0 0 14 -4,-1.8 -3,-0.2 1,-0.1 -2,-0.2 0.785 101.6-130.3 -84.7 -25.7 -30.9 13.5 20.1 148 77 B G < - 0 0 33 -4,-1.9 -1,-0.1 -5,-0.2 -2,-0.1 -0.098 40.0 -73.0 77.9 164.9 -33.8 11.1 20.4 149 78 B E S S+ 0 0 88 1,-0.2 2,-1.8 -2,-0.1 3,-0.2 0.914 121.0 73.7 -58.7 -43.6 -33.2 7.5 19.1 150 79 B D > + 0 0 101 1,-0.2 4,-2.3 2,-0.1 -1,-0.2 -0.502 56.8 169.7 -80.5 90.8 -33.3 8.5 15.4 151 80 B V H > S+ 0 0 16 -2,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.803 75.3 54.4 -71.0 -35.3 -30.0 10.1 15.1 152 81 B A H > S+ 0 0 47 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.914 109.2 49.5 -66.5 -42.1 -30.2 10.3 11.3 153 82 B S H > S+ 0 0 57 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.947 111.8 49.7 -59.9 -44.5 -33.5 12.1 11.6 154 83 B F H X S+ 0 0 41 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.945 113.2 45.4 -56.4 -52.0 -31.8 14.4 14.2 155 84 B A H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.885 109.4 55.0 -60.1 -39.4 -29.0 15.1 11.8 156 85 B D H X S+ 0 0 68 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.961 110.9 45.3 -64.6 -44.9 -31.2 15.6 9.0 157 86 B E H X S+ 0 0 104 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.853 107.4 59.6 -64.5 -36.3 -33.2 18.3 10.9 158 87 B L H X S+ 0 0 28 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.943 109.3 42.5 -53.9 -49.2 -29.9 19.9 12.1 159 88 B V H X S+ 0 0 7 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.951 111.2 54.3 -64.7 -45.3 -28.8 20.6 8.5 160 89 B A H < S+ 0 0 51 -4,-2.1 4,-0.5 1,-0.3 -1,-0.2 0.892 113.1 44.4 -54.8 -37.7 -32.2 21.7 7.5 161 90 B N H >X S+ 0 0 89 -4,-2.1 3,-0.6 1,-0.2 4,-0.5 0.819 104.1 61.4 -84.4 -25.6 -32.1 24.2 10.3 162 91 B A H >< S+ 0 0 15 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.902 95.3 65.1 -56.8 -39.4 -28.5 25.4 9.7 163 92 B K T 3< S+ 0 0 98 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.717 112.9 30.3 -69.3 -26.2 -29.5 26.7 6.2 164 93 B T T <4 0 0 124 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.345 360.0 360.0-101.3 1.8 -31.9 29.3 7.6 165 94 B Y << 0 0 121 -3,-1.3 -2,-0.1 -4,-0.5 -4,-0.1 -0.181 360.0 360.0 66.7 360.0 -29.6 29.6 10.7