==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-OCT-06 2NN4 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YQGQ; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR L.DAMODHARAN,S.ESWARAMOORTHY,S.K.BURLEY,S.SWAMINATHAN,NEW YO . 186 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 70.4 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 . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 0 0 0 1 2 0 0 0 0 0 0 0 6 0 0 0 0 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 1 A L 0 0 131 0, 0.0 3,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 -69.6 -6.5 8.9 9.0 2 2 A N + 0 0 89 1,-0.1 2,-0.2 52,-0.0 3,-0.0 0.721 360.0 35.4-122.2 -35.9 -7.0 7.9 5.4 3 3 A T S > S- 0 0 66 1,-0.1 4,-1.8 54,-0.0 5,-0.2 -0.712 78.3-103.3-123.7 174.3 -7.8 10.8 3.1 4 4 A F H > S+ 0 0 14 1,-0.2 4,-2.0 -2,-0.2 5,-0.1 0.884 121.2 56.4 -57.2 -40.5 -7.0 14.4 2.4 5 5 A Y H > S+ 0 0 139 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.895 103.3 52.2 -59.9 -44.3 -10.4 15.3 3.9 6 6 A D H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.913 109.8 48.6 -59.5 -44.0 -9.5 13.5 7.2 7 7 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.865 106.3 58.9 -63.8 -36.6 -6.3 15.5 7.5 8 8 A Q H X S+ 0 0 66 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.895 106.7 47.0 -59.0 -40.6 -8.3 18.6 6.8 9 9 A Q H X S+ 0 0 68 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.831 108.5 55.1 -70.9 -34.3 -10.4 17.9 9.9 10 10 A L H >< S+ 0 0 43 -4,-1.7 3,-0.6 1,-0.2 4,-0.5 0.970 113.9 40.1 -61.9 -52.7 -7.4 17.2 12.0 11 11 A L H ><>S+ 0 0 3 -4,-2.5 5,-2.1 1,-0.2 3,-0.5 0.731 107.2 63.3 -68.9 -23.6 -6.0 20.6 11.1 12 12 A K H ><5S+ 0 0 117 -4,-1.4 3,-1.8 1,-0.2 -1,-0.2 0.834 94.7 62.3 -69.2 -30.4 -9.4 22.3 11.4 13 13 A T T <<5S+ 0 0 82 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.789 106.4 45.9 -63.1 -26.7 -9.3 21.3 15.1 14 14 A F T < 5S- 0 0 31 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.147 127.9 -96.5-104.3 17.9 -6.3 23.5 15.3 15 15 A G T < 5S+ 0 0 62 -3,-1.8 2,-0.9 1,-0.2 -3,-0.2 0.272 80.8 128.0 91.5 -10.0 -7.8 26.5 13.4 16 16 A H < + 0 0 52 -5,-2.1 2,-0.6 -8,-0.1 -1,-0.2 -0.722 16.5 158.6 -91.2 105.9 -6.4 26.0 9.9 17 17 A I + 0 0 139 -2,-0.9 2,-0.3 -5,-0.1 -8,-0.0 -0.874 25.8 171.9-120.4 91.8 -9.1 26.0 7.2 18 18 A V + 0 0 43 -2,-0.6 2,-0.2 -10,-0.1 -2,-0.0 -0.779 25.4 168.0-112.6 153.1 -7.2 26.8 4.0 19 19 A Y + 0 0 193 -2,-0.3 4,-0.1 1,-0.0 -2,-0.0 -0.770 5.2 165.9-158.3 105.5 -7.8 27.0 0.3 20 20 A F - 0 0 103 2,-0.3 3,-0.1 -2,-0.2 -1,-0.0 0.483 58.7-109.5 -99.8 -8.5 -5.2 28.6 -2.0 21 21 A G S S+ 0 0 51 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.616 97.2 86.8 88.0 12.3 -6.6 27.2 -5.3 22 22 A D > - 0 0 63 1,-0.1 4,-2.0 2,-0.0 -2,-0.3 -0.907 61.7-158.8-147.3 112.5 -3.6 24.9 -5.7 23 23 A R H > S+ 0 0 89 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.857 92.0 54.8 -59.7 -41.9 -3.6 21.5 -4.1 24 24 A E H > S+ 0 0 96 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.894 112.5 43.2 -60.6 -42.8 0.2 21.1 -4.1 25 25 A L H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.833 112.3 52.8 -73.6 -35.7 0.7 24.4 -2.2 26 26 A E H X S+ 0 0 8 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.916 110.4 49.2 -65.1 -41.4 -2.1 23.6 0.2 27 27 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.902 109.3 50.5 -63.6 -42.1 -0.5 20.3 1.0 28 28 A E H X S+ 0 0 81 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.901 112.4 47.7 -63.1 -40.5 2.9 21.8 1.5 29 29 A F H X S+ 0 0 63 -4,-2.1 4,-2.5 2,-0.2 3,-0.5 0.973 111.3 50.6 -62.2 -54.8 1.3 24.3 3.9 30 30 A M H X S+ 0 0 7 -4,-2.9 4,-2.3 1,-0.3 -2,-0.2 0.860 108.3 52.6 -51.1 -41.7 -0.5 21.6 5.7 31 31 A L H X S+ 0 0 19 -4,-2.5 4,-2.0 2,-0.2 -1,-0.3 0.873 108.7 50.1 -64.4 -38.2 2.7 19.6 6.1 32 32 A D H X S+ 0 0 94 -4,-1.7 4,-2.2 -3,-0.5 -2,-0.2 0.929 111.9 48.6 -65.0 -45.3 4.4 22.6 7.7 33 33 A E H X S+ 0 0 40 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.870 110.2 50.4 -61.9 -39.3 1.5 23.0 10.1 34 34 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.908 110.9 49.3 -66.1 -42.3 1.5 19.3 11.1 35 35 A K H X S+ 0 0 61 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.888 111.1 49.5 -63.6 -41.8 5.3 19.4 11.7 36 36 A E H X S+ 0 0 94 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.918 110.5 50.8 -64.6 -43.7 4.8 22.5 13.9 37 37 A L H <>S+ 0 0 9 -4,-2.3 5,-2.8 2,-0.2 6,-0.5 0.939 113.8 44.4 -59.2 -47.9 2.0 20.9 15.8 38 38 A Y H ><5S+ 0 0 34 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.927 111.2 52.7 -64.1 -44.7 4.2 17.8 16.5 39 39 A M H 3<5S+ 0 0 83 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.858 110.9 49.5 -58.7 -33.8 7.2 19.9 17.4 40 40 A N T 3<5S- 0 0 43 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.238 116.7-116.4 -90.3 12.7 5.0 21.7 19.9 41 41 A H T < 5S+ 0 0 53 -3,-2.1 -3,-0.2 2,-0.1 -2,-0.1 0.702 78.7 125.3 61.8 25.8 3.7 18.5 21.3 42 42 A M S > - 0 0 122 -2,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.311 30.3-113.2 -69.0 155.2 1.2 12.4 19.0 45 45 A K H 3> S+ 0 0 50 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.869 116.4 56.2 -54.3 -42.2 4.0 11.1 16.8 46 46 A E H 3> S+ 0 0 114 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.861 109.3 45.1 -61.2 -38.5 1.7 8.3 15.4 47 47 A Q H <> S+ 0 0 85 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.887 114.6 47.9 -74.2 -40.3 -0.9 10.9 14.2 48 48 A W H X S+ 0 0 11 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.937 111.7 49.6 -66.7 -43.9 1.7 13.2 12.7 49 49 A A H X S+ 0 0 47 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.920 115.8 43.4 -60.8 -42.4 3.4 10.3 10.9 50 50 A R H X S+ 0 0 126 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.898 113.2 51.6 -70.2 -39.7 0.1 9.0 9.5 51 51 A A H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.931 111.9 45.5 -63.6 -45.8 -1.1 12.5 8.6 52 52 A A H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.893 111.6 53.3 -64.2 -41.2 2.0 13.4 6.7 53 53 A A H X S+ 0 0 52 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.923 107.9 50.1 -58.6 -47.6 1.9 10.0 5.0 54 54 A V H X S+ 0 0 11 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.917 111.7 49.0 -58.1 -42.7 -1.7 10.6 3.9 55 55 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.837 107.8 54.0 -67.3 -33.9 -0.6 14.1 2.5 56 56 A R H X S+ 0 0 43 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.898 110.9 46.4 -66.2 -38.3 2.3 12.5 0.6 57 57 A K H X S+ 0 0 117 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.932 111.5 50.8 -68.1 -45.7 -0.0 10.1 -1.1 58 58 A E H X S+ 0 0 33 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.900 108.7 53.1 -58.3 -41.8 -2.5 12.8 -1.9 59 59 A L H < S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.885 109.8 47.3 -61.9 -40.9 0.3 14.9 -3.4 60 60 A E H < S+ 0 0 146 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.888 111.4 51.9 -68.6 -38.7 1.3 12.0 -5.6 61 61 A Q H < 0 0 111 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.763 360.0 360.0 -70.6 -27.3 -2.3 11.4 -6.7 62 62 A T < 0 0 94 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.950 360.0 360.0 -82.1 360.0 -2.8 15.1 -7.7 63 !* 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 64 1 B L 0 0 63 0, 0.0 3,-0.1 0, 0.0 53,-0.0 0.000 360.0 360.0 360.0 119.9 14.7 2.4 0.6 65 2 B N + 0 0 102 1,-0.2 2,-0.2 52,-0.0 3,-0.0 0.587 360.0 28.6-133.1 -25.2 17.4 1.2 -1.8 66 3 B T S > S- 0 0 55 1,-0.1 4,-1.8 54,-0.0 -1,-0.2 -0.798 82.4 -94.2-136.0 177.5 18.8 4.1 -3.7 67 4 B F H > S+ 0 0 7 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.910 123.0 53.8 -56.8 -45.9 19.7 7.8 -3.6 68 5 B Y H > S+ 0 0 162 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 105.1 53.1 -55.1 -50.0 16.3 8.6 -5.4 69 6 B D H > S+ 0 0 51 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.882 107.6 50.9 -54.1 -44.1 14.4 6.7 -2.7 70 7 B V H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.856 106.9 54.3 -64.8 -36.3 16.0 8.7 0.1 71 8 B Q H X S+ 0 0 23 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.919 105.6 53.4 -62.2 -40.8 15.1 11.9 -1.7 72 9 B Q H < S+ 0 0 80 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.847 109.3 49.3 -62.9 -33.1 11.5 10.6 -1.7 73 10 B L H >< S+ 0 0 33 -4,-1.5 3,-0.9 1,-0.2 -1,-0.2 0.889 110.5 49.2 -71.7 -40.2 11.7 10.1 2.0 74 11 B L H >< S+ 0 0 13 -4,-2.3 3,-2.0 1,-0.2 4,-0.4 0.678 90.2 81.6 -74.3 -16.8 13.1 13.6 2.6 75 12 B K G >< S+ 0 0 56 -4,-1.4 3,-0.7 1,-0.3 -1,-0.2 0.771 79.9 68.0 -59.4 -26.4 10.4 15.2 0.4 76 13 B T G < S+ 0 0 25 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.694 107.8 38.0 -66.3 -17.8 8.0 15.1 3.5 77 14 B F G < S- 0 0 27 -3,-2.0 2,-0.2 1,-0.4 -1,-0.2 0.357 130.0 -36.9-116.4 3.2 10.2 17.7 5.2 78 15 B G S < S- 0 0 39 -3,-0.7 -1,-0.4 -4,-0.4 3,-0.1 -0.791 77.4 -54.9 153.5 164.7 11.2 20.0 2.4 79 16 B H - 0 0 160 -2,-0.2 2,-0.3 1,-0.1 -3,-0.0 -0.100 64.9 -87.1 -64.1 163.4 12.1 20.2 -1.3 80 17 B I - 0 0 54 1,-0.1 2,-0.2 -5,-0.0 -1,-0.1 -0.581 46.1-127.7 -73.6 129.8 15.0 18.2 -2.8 81 18 B V - 0 0 33 -2,-0.3 2,-0.4 8,-0.1 -1,-0.1 -0.574 23.7-172.6 -83.7 141.6 18.3 20.0 -2.5 82 19 B Y + 0 0 191 -2,-0.2 4,-0.1 1,-0.1 -2,-0.0 -0.946 20.1 155.4-136.2 113.7 20.5 20.6 -5.5 83 20 B F - 0 0 105 -2,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.617 62.1-107.9-109.6 -20.9 24.0 22.1 -5.1 84 21 B G S S+ 0 0 51 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.579 96.1 86.0 100.6 13.2 25.7 20.8 -8.2 85 22 B D > - 0 0 70 1,-0.1 4,-2.1 2,-0.0 -2,-0.2 -0.887 61.8-156.7-148.6 110.6 27.8 18.3 -6.4 86 23 B R H > S+ 0 0 92 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.902 95.5 54.8 -54.1 -43.8 26.5 14.8 -5.6 87 24 B E H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.936 109.7 44.3 -57.3 -51.7 29.0 14.5 -2.7 88 25 B L H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.847 111.6 54.6 -63.4 -34.1 27.9 17.7 -0.9 89 26 B E H X S+ 0 0 9 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.916 109.0 47.5 -66.1 -42.3 24.2 16.9 -1.5 90 27 B I H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.912 110.4 52.2 -64.1 -42.4 24.7 13.5 0.2 91 28 B E H X S+ 0 0 85 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.881 111.4 47.8 -61.0 -38.9 26.6 15.1 3.1 92 29 B F H X S+ 0 0 88 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.930 112.5 47.9 -66.9 -46.8 23.7 17.5 3.5 93 30 B M H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.873 108.3 54.0 -63.7 -39.6 21.1 14.8 3.4 94 31 B L H X S+ 0 0 45 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.958 111.3 48.0 -59.2 -44.8 23.0 12.7 5.9 95 32 B D H X S+ 0 0 91 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.919 110.8 49.1 -59.7 -47.6 22.9 15.7 8.2 96 33 B E H X S+ 0 0 48 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.914 109.8 53.1 -60.3 -42.0 19.2 16.3 7.6 97 34 B L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.909 106.9 51.9 -59.5 -42.9 18.6 12.6 8.4 98 35 B K H X S+ 0 0 105 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.927 111.3 46.1 -60.6 -46.9 20.4 12.9 11.7 99 36 B E H X S+ 0 0 101 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.899 111.8 51.1 -62.6 -43.7 18.4 15.9 12.9 100 37 B L H ><>S+ 0 0 8 -4,-2.4 5,-2.7 1,-0.2 6,-0.6 0.926 110.5 50.9 -60.2 -43.8 15.1 14.3 11.8 101 38 B Y H ><5S+ 0 0 70 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.942 109.0 48.3 -60.9 -48.6 16.1 11.2 13.8 102 39 B M H 3<5S+ 0 0 103 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.676 110.6 53.1 -66.7 -15.5 16.9 13.1 17.0 103 40 B N T <<5S- 0 0 85 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.175 115.3-117.4-102.0 15.0 13.6 15.0 16.7 104 41 B H T < 5S+ 0 0 115 -3,-1.8 -3,-0.2 2,-0.1 -2,-0.1 0.726 77.2 130.9 55.9 27.4 11.8 11.7 16.4 105 42 B M S - 0 0 97 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.307 31.9-111.9 -73.7 160.0 12.0 5.8 13.1 108 45 B K H > S+ 0 0 138 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.884 116.5 53.2 -57.5 -42.1 15.4 4.2 13.9 109 46 B E H > S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 110.9 44.6 -62.3 -45.1 15.0 1.6 11.1 110 47 B Q H > S+ 0 0 73 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.883 114.2 50.4 -66.5 -40.9 14.3 4.2 8.4 111 48 B W H X S+ 0 0 69 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.957 112.7 45.7 -62.4 -51.4 17.1 6.4 9.6 112 49 B A H X S+ 0 0 44 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.919 115.0 46.7 -60.5 -45.7 19.6 3.6 9.6 113 50 B R H X S+ 0 0 114 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.925 114.1 47.8 -64.5 -44.0 18.6 2.3 6.2 114 51 B A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.945 111.2 48.9 -63.8 -47.9 18.6 5.7 4.6 115 52 B A H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.945 112.5 49.9 -57.5 -44.5 22.0 6.7 6.0 116 53 B A H X S+ 0 0 46 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.893 108.2 52.7 -60.5 -41.4 23.4 3.4 4.8 117 54 B V H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.945 111.5 46.4 -61.0 -45.9 21.9 3.9 1.3 118 55 B L H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 -2,-0.2 0.888 109.6 52.9 -64.7 -39.4 23.6 7.4 1.1 119 56 B R H X S+ 0 0 135 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.899 110.5 49.1 -62.8 -34.7 26.9 6.0 2.4 120 57 B K H X S+ 0 0 111 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.917 112.7 47.4 -67.0 -42.5 26.7 3.4 -0.4 121 58 B E H X S+ 0 0 24 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.910 108.4 55.6 -63.0 -42.6 25.9 6.2 -2.9 122 59 B L H < S+ 0 0 62 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.924 107.8 48.0 -58.0 -45.2 28.8 8.2 -1.6 123 60 B E H < S+ 0 0 172 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.872 113.6 47.7 -64.3 -36.9 31.2 5.4 -2.3 124 61 B Q H < 0 0 116 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.884 360.0 360.0 -71.3 -39.9 29.8 4.9 -5.8 125 62 B T < 0 0 98 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.995 360.0 360.0 -74.3 360.0 30.0 8.7 -6.6 126 !* 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 0.0 127 1 C L 0 0 82 0, 0.0 53,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 142.9 -4.7 16.2 35.9 128 2 C N + 0 0 95 52,-0.0 2,-0.3 1,-0.0 3,-0.1 0.149 360.0 72.6-162.1 28.0 -7.3 15.4 33.3 129 3 C T S > S- 0 0 56 1,-0.1 4,-1.8 55,-0.0 5,-0.2 -0.944 85.4-103.1-143.1 163.3 -10.3 17.7 33.6 130 4 C F H > S+ 0 0 25 -2,-0.3 4,-1.4 1,-0.2 3,-0.2 0.917 123.2 48.4 -51.2 -50.1 -11.1 21.4 33.0 131 5 C Y H > S+ 0 0 132 1,-0.2 4,-2.8 2,-0.2 3,-0.4 0.907 105.2 59.9 -58.3 -44.3 -10.8 22.2 36.7 132 6 C D H > S+ 0 0 31 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.907 103.6 50.2 -50.0 -48.8 -7.5 20.3 36.9 133 7 C V H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.836 110.1 50.2 -61.5 -35.4 -6.0 22.7 34.3 134 8 C Q H X S+ 0 0 48 -4,-1.4 4,-4.0 -3,-0.4 5,-0.3 0.936 104.1 57.6 -68.0 -46.5 -7.2 25.7 36.3 135 9 C Q H X S+ 0 0 105 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.827 112.9 43.1 -51.0 -32.7 -5.7 24.2 39.5 136 10 C L H < S+ 0 0 27 -4,-1.3 4,-0.2 -5,-0.2 -1,-0.2 0.883 115.6 45.6 -81.3 -43.4 -2.5 24.3 37.5 137 11 C L H >< S+ 0 0 2 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.823 104.6 62.1 -70.3 -31.6 -3.0 27.8 35.9 138 12 C K H >< S+ 0 0 103 -4,-4.0 3,-2.9 1,-0.3 -1,-0.2 0.914 92.9 66.8 -58.1 -40.9 -4.0 29.3 39.3 139 13 C T T 3< S+ 0 0 105 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.686 104.7 43.1 -52.2 -21.6 -0.5 28.3 40.5 140 14 C F T < S- 0 0 83 -3,-1.7 2,-0.7 1,-0.3 -1,-0.3 0.149 119.7-107.6-112.7 17.8 0.8 30.9 38.0 141 15 C G S < S+ 0 0 45 -3,-2.9 -1,-0.3 1,-0.0 0, 0.0 -0.856 76.6 117.3 96.7-114.1 -1.7 33.6 38.8 142 16 C H + 0 0 51 -2,-0.7 -4,-0.1 1,-0.1 -8,-0.0 -0.205 23.5 166.1 58.9-133.7 -4.1 33.9 35.9 143 17 C I - 0 0 58 -9,-0.1 -1,-0.1 13,-0.0 -9,-0.0 0.963 24.6-159.3 74.9 82.9 -7.8 33.1 36.4 144 18 C V + 0 0 31 8,-0.1 9,-0.0 2,-0.0 8,-0.0 0.954 18.1 174.6 -50.1-101.8 -9.5 34.5 33.3 145 19 C Y + 0 0 159 3,-0.1 4,-0.1 4,-0.1 0, 0.0 0.949 13.8 155.7 78.5 87.8 -13.3 35.3 33.3 146 20 C F - 0 0 116 2,-0.2 3,-0.1 3,-0.0 -2,-0.0 0.331 65.9-107.0-115.5 -1.9 -14.5 36.9 30.1 147 21 C G S S+ 0 0 80 1,-0.1 2,-0.2 2,-0.0 0, 0.0 0.794 97.4 89.1 77.9 28.5 -18.0 35.8 30.5 148 22 C D > - 0 0 71 1,-0.1 4,-1.9 2,-0.0 3,-0.4 -0.765 63.3-154.4-160.9 108.3 -17.6 33.2 27.8 149 23 C R H > S+ 0 0 94 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.892 93.7 48.8 -49.5 -54.5 -16.4 29.7 28.3 150 24 C E H > S+ 0 0 80 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.824 112.7 47.8 -61.9 -32.9 -14.9 29.0 24.8 151 25 C L H > S+ 0 0 86 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.834 112.2 50.2 -77.0 -31.3 -13.0 32.3 24.8 152 26 C E H X S+ 0 0 23 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.885 108.6 51.1 -72.1 -38.9 -11.6 31.6 28.3 153 27 C I H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.900 109.8 52.8 -63.4 -38.5 -10.5 28.1 27.3 154 28 C E H X S+ 0 0 74 -4,-1.5 4,-1.5 -5,-0.2 -2,-0.2 0.893 109.6 46.4 -62.6 -43.0 -8.8 29.8 24.3 155 29 C F H X S+ 0 0 73 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.904 108.5 56.2 -67.5 -41.0 -6.9 32.2 26.5 156 30 C M H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.880 104.7 54.0 -57.9 -37.0 -6.0 29.4 28.9 157 31 C L H X S+ 0 0 9 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.902 108.9 47.4 -63.7 -42.0 -4.4 27.6 25.9 158 32 C D H X S+ 0 0 96 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.901 111.0 51.2 -66.3 -42.1 -2.3 30.7 25.1 159 33 C E H X S+ 0 0 59 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.895 109.7 51.0 -62.6 -39.2 -1.2 31.0 28.7 160 34 C L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.889 110.2 47.6 -66.5 -39.7 -0.2 27.3 28.7 161 35 C K H X S+ 0 0 75 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.885 111.4 54.0 -67.1 -35.0 1.9 27.7 25.5 162 36 C E H X S+ 0 0 88 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.921 109.2 46.7 -62.0 -47.7 3.4 30.8 27.2 163 37 C L H ><>S+ 0 0 16 -4,-2.5 5,-2.5 1,-0.2 3,-0.5 0.959 111.5 50.5 -59.6 -53.4 4.4 28.8 30.3 164 38 C Y H ><5S+ 0 0 56 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.842 108.8 52.7 -55.3 -37.0 5.9 26.0 28.3 165 39 C M H 3<5S+ 0 0 117 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.856 109.6 48.4 -67.6 -34.6 7.9 28.5 26.3 166 40 C N T <<5S- 0 0 74 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.266 118.2-116.8 -88.1 11.0 9.2 30.0 29.5 167 41 C H T < 5S+ 0 0 167 -3,-1.1 -3,-0.2 2,-0.1 -2,-0.1 0.808 78.4 127.3 58.9 35.9 10.0 26.5 30.6 168 42 C M < + 0 0 96 -5,-2.5 2,-0.3 -6,-0.1 -4,-0.2 0.536 69.3 37.1 -98.9 -8.4 7.6 26.7 33.6 169 43 C I S S- 0 0 2 -6,-0.4 -1,-0.1 -9,-0.1 -2,-0.1 -0.984 89.3-108.9-138.9 146.9 5.7 23.5 32.7 170 44 C E > - 0 0 115 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.277 29.4-113.1 -69.1 161.5 7.0 20.2 31.3 171 45 C K H > S+ 0 0 95 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.841 119.9 53.0 -64.8 -32.1 6.2 19.2 27.7 172 46 C E H > S+ 0 0 104 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.959 109.2 46.7 -66.0 -52.0 4.1 16.3 29.2 173 47 C Q H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.897 116.4 47.0 -53.4 -46.2 2.0 18.7 31.4 174 48 C W H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.911 110.6 48.0 -65.2 -49.9 1.6 21.0 28.5 175 49 C A H X S+ 0 0 32 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.918 117.2 45.7 -58.6 -43.4 0.6 18.4 25.9 176 50 C R H X S+ 0 0 128 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.903 113.1 47.1 -68.2 -42.3 -1.9 17.0 28.4 177 51 C A H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.894 112.6 49.9 -67.9 -39.4 -3.4 20.3 29.6 178 52 C A H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.913 112.1 48.4 -65.4 -40.5 -3.8 21.5 26.0 179 53 C A H X S+ 0 0 54 -4,-1.9 4,-1.5 -5,-0.3 5,-0.2 0.909 109.1 52.0 -66.6 -42.6 -5.6 18.2 25.1 180 54 C V H X S+ 0 0 13 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.884 112.9 46.7 -60.4 -37.6 -7.9 18.4 28.1 181 55 C L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.864 108.3 53.7 -72.5 -37.1 -8.8 21.9 27.0 182 56 C R H X S+ 0 0 65 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.772 111.9 46.1 -68.8 -24.7 -9.4 21.0 23.4 183 57 C K H X S+ 0 0 128 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.862 111.8 52.1 -80.0 -40.7 -11.8 18.3 24.6 184 58 C E H X S+ 0 0 31 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.902 109.8 49.1 -59.6 -42.4 -13.3 20.8 26.9 185 59 C L H < S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.857 109.7 50.9 -67.7 -36.6 -13.8 23.2 23.9 186 60 C E H < S+ 0 0 155 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.806 108.6 52.9 -72.0 -29.8 -15.3 20.5 21.7 187 61 C Q H < 0 0 116 -4,-1.8 -2,-0.2 -5,-0.0 -1,-0.2 0.864 360.0 360.0 -74.4 -38.7 -17.8 19.5 24.4 188 62 C T < 0 0 100 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.937 360.0 360.0 -90.2 360.0 -19.2 23.0 25.0