==== 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 DNA BINDING PROTEIN 02-MAY-03 1P7J . COMPND 2 MOLECULE: SEGMENTATION POLARITY HOMEOBOX PROTEIN ENGRAILED; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR E.J.STOLLAR,U.MAYOR,S.C.LOVELL,L.FEDERICI,S.M.FREUND,A.R.FER . 209 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 69.4 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 . 5 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 4 0 5 1 1 1 0 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 3 A R 0 0 134 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.8 41.9 38.5 45.4 2 4 A P - 0 0 106 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.754 360.0 -8.7-110.1 -56.8 42.1 34.8 45.2 3 5 A R - 0 0 98 2,-0.0 2,-0.5 0, 0.0 39,-0.0 -0.739 54.0-175.6-156.1 98.6 42.1 33.0 48.6 4 6 A T - 0 0 48 -2,-0.2 2,-0.7 38,-0.1 0, 0.0 -0.847 26.3-130.6-100.6 127.7 42.3 34.7 52.0 5 7 A A - 0 0 100 -2,-0.5 2,-0.2 1,-0.0 -2,-0.0 -0.647 20.7-149.0 -82.7 114.5 42.5 32.4 55.0 6 8 A F - 0 0 46 -2,-0.7 2,-0.0 1,-0.1 -1,-0.0 -0.543 14.8-121.4 -79.5 141.2 40.0 33.4 57.6 7 9 A S > - 0 0 48 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.308 32.2-103.7 -71.9 166.3 40.8 32.8 61.3 8 10 A S H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.877 123.5 51.1 -61.9 -35.5 38.4 30.6 63.3 9 11 A E H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 109.5 49.5 -68.6 -40.7 37.0 33.8 64.9 10 12 A Q H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.931 113.2 46.9 -63.4 -43.6 36.5 35.5 61.6 11 13 A L H X S+ 0 0 61 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.878 107.9 55.1 -68.2 -38.1 34.7 32.5 60.2 12 14 A A H X S+ 0 0 63 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.938 111.0 46.0 -61.0 -43.6 32.5 32.0 63.3 13 15 A R H X S+ 0 0 41 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.947 112.8 49.2 -63.4 -49.9 31.3 35.6 62.9 14 16 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.892 111.1 50.3 -57.5 -40.5 30.7 35.3 59.2 15 17 A K H X S+ 0 0 90 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.917 111.9 46.2 -67.7 -41.5 28.8 32.1 59.6 16 18 A R H X S+ 0 0 125 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.943 114.2 49.2 -64.2 -42.9 26.5 33.5 62.3 17 19 A E H X S+ 0 0 12 -4,-2.8 4,-2.3 1,-0.2 3,-0.4 0.936 110.9 49.9 -61.9 -44.0 26.0 36.6 60.2 18 20 A F H < S+ 0 0 20 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.861 106.4 55.4 -63.5 -37.2 25.1 34.5 57.1 19 21 A N H < S+ 0 0 141 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.821 111.2 45.4 -64.9 -32.5 22.6 32.4 59.1 20 22 A E H < S- 0 0 122 -4,-1.6 2,-0.3 -3,-0.4 -2,-0.2 0.891 136.7 -1.1 -75.4 -42.6 20.8 35.6 60.1 21 23 A N < - 0 0 74 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.885 54.6-162.0-155.1 116.4 20.8 37.1 56.6 22 24 A R S S+ 0 0 124 -2,-0.3 2,-0.4 -3,-0.2 29,-0.1 0.530 78.0 72.4 -78.0 -7.1 22.4 35.5 53.5 23 25 A Y S S- 0 0 147 -5,-0.1 2,-0.6 28,-0.0 25,-0.0 -0.925 73.9-146.4-115.6 137.8 22.4 38.8 51.6 24 26 A L - 0 0 33 -2,-0.4 2,-0.1 20,-0.1 -2,-0.0 -0.902 3.2-153.5-113.7 112.0 24.9 41.6 52.6 25 27 A T > - 0 0 84 -2,-0.6 4,-2.6 1,-0.1 5,-0.2 -0.398 31.3-113.8 -71.9 161.8 24.1 45.3 52.3 26 28 A E H > S+ 0 0 130 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.863 117.7 56.2 -63.6 -34.7 27.0 47.7 51.9 27 29 A R H > S+ 0 0 63 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.915 111.7 41.4 -66.1 -42.3 26.4 49.1 55.3 28 30 A R H > S+ 0 0 40 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.846 111.0 56.4 -73.2 -33.6 26.7 45.7 56.9 29 31 A R H X S+ 0 0 46 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.919 106.5 51.8 -62.0 -41.4 29.6 44.8 54.8 30 32 A Q H X S+ 0 0 99 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.901 110.2 47.7 -57.6 -47.1 31.3 47.9 56.1 31 33 A Q H X S+ 0 0 90 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.938 112.8 48.3 -61.3 -47.5 30.6 46.9 59.7 32 34 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 6,-0.4 0.906 110.9 51.6 -62.2 -42.1 31.9 43.4 59.1 33 35 A S H X>S+ 0 0 26 -4,-2.7 4,-1.8 1,-0.2 5,-0.9 0.953 115.0 42.3 -57.7 -49.8 35.0 44.8 57.4 34 36 A S H <5S+ 0 0 101 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.858 118.1 43.6 -67.9 -36.1 35.7 47.0 60.4 35 37 A E H <5S+ 0 0 114 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.754 122.5 37.4 -86.0 -19.2 34.9 44.5 63.1 36 38 A L H <5S- 0 0 26 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.607 99.3-124.3-104.6 -13.7 36.8 41.6 61.4 37 39 A G T <5 + 0 0 71 -4,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.795 69.3 128.3 71.7 27.2 39.8 43.3 59.9 38 40 A L < - 0 0 16 -5,-0.9 -1,-0.3 -6,-0.4 -2,-0.2 -0.924 65.2-110.6-113.1 141.6 39.0 41.9 56.5 39 41 A N >> - 0 0 92 -2,-0.4 4,-1.5 1,-0.1 3,-0.9 -0.365 30.8-113.2 -69.1 151.7 38.7 44.1 53.4 40 42 A E H 3> S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.845 113.5 59.5 -54.0 -38.2 35.2 44.5 52.1 41 43 A A H 3> S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.863 103.3 52.0 -60.8 -37.9 35.9 42.6 48.9 42 44 A Q H <> S+ 0 0 36 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.884 111.7 46.6 -65.5 -41.5 36.9 39.5 50.8 43 45 A I H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.915 110.8 51.5 -65.4 -46.3 33.6 39.6 52.8 44 46 A K H X S+ 0 0 88 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.932 112.4 47.1 -56.6 -45.5 31.5 40.1 49.7 45 47 A I H X S+ 0 0 70 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.905 109.1 53.0 -65.9 -41.3 33.2 37.2 48.0 46 48 A W H X S+ 0 0 28 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.946 109.7 49.5 -60.9 -43.3 32.7 34.9 51.0 47 49 A F H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.928 112.0 48.2 -62.0 -43.1 29.0 35.8 51.1 48 50 A Q H X S+ 0 0 72 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.927 114.0 45.4 -62.1 -48.0 28.7 35.0 47.4 49 51 A N H X S+ 0 0 93 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.870 109.9 55.2 -64.3 -38.9 30.5 31.7 47.6 50 52 A E H >< S+ 0 0 22 -4,-2.9 3,-0.5 -5,-0.3 -1,-0.2 0.920 109.8 46.4 -62.8 -40.8 28.6 30.7 50.7 51 53 A R H 3< S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.884 107.8 57.6 -65.8 -38.6 25.3 31.2 48.8 52 54 A A H 3< 0 0 89 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.699 360.0 360.0 -67.2 -22.2 26.6 29.3 45.9 53 55 A K << 0 0 180 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.732 360.0 360.0-100.1 360.0 27.2 26.3 48.1 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 7 B A 0 0 154 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.8 21.8 6.3 18.6 56 8 B F - 0 0 48 1,-0.1 32,-0.0 2,-0.1 2,-0.0 -0.343 360.0-112.4 -58.7 143.6 24.9 7.1 16.5 57 9 B S > - 0 0 45 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.267 27.3-104.4 -73.1 165.5 24.6 6.5 12.8 58 10 B S H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 124.2 53.1 -59.0 -31.6 26.4 3.8 10.9 59 11 B E H > S+ 0 0 136 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 108.7 46.4 -71.6 -44.4 28.7 6.5 9.6 60 12 B Q H > S+ 0 0 34 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.932 115.2 48.4 -60.8 -42.3 29.5 7.9 13.1 61 13 B L H X S+ 0 0 50 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.921 108.8 52.5 -67.3 -41.1 30.1 4.4 14.3 62 14 B A H X S+ 0 0 60 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.944 112.8 45.2 -59.2 -48.1 32.4 3.5 11.3 63 15 B R H X S+ 0 0 41 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.954 113.5 49.6 -60.5 -48.8 34.5 6.6 12.0 64 16 B L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.915 110.4 50.0 -59.3 -44.0 34.7 5.9 15.8 65 17 B K H X S+ 0 0 116 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.907 111.5 47.5 -62.5 -43.1 35.7 2.3 15.4 66 18 B R H X S+ 0 0 120 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.949 113.9 47.8 -65.3 -44.1 38.5 3.1 12.9 67 19 B E H X S+ 0 0 15 -4,-2.5 4,-2.7 1,-0.2 3,-0.3 0.938 110.8 51.5 -58.7 -48.6 39.8 5.9 15.2 68 20 B F H < S+ 0 0 11 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.892 108.4 51.1 -56.4 -44.0 39.6 3.6 18.2 69 21 B N H < S+ 0 0 138 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.824 112.3 47.5 -65.3 -29.5 41.6 0.9 16.4 70 22 B E H < S- 0 0 125 -4,-1.7 2,-0.3 -3,-0.3 -2,-0.2 0.897 136.8 -4.0 -74.5 -41.3 44.2 3.5 15.5 71 23 B N < - 0 0 72 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.1 -0.851 55.5-159.2-158.6 112.9 44.5 5.0 19.1 72 24 B R S S+ 0 0 132 -2,-0.3 2,-0.4 -3,-0.2 29,-0.1 0.529 75.0 73.3 -74.8 -5.9 42.3 3.9 22.0 73 25 B Y S S- 0 0 149 -5,-0.1 2,-0.3 28,-0.0 25,-0.0 -0.879 71.9-137.2-117.1 147.6 43.0 7.2 23.9 74 26 B L - 0 0 40 -2,-0.4 2,-0.3 20,-0.1 -2,-0.0 -0.705 10.2-166.6-102.5 145.3 41.8 10.7 23.3 75 27 B T > - 0 0 81 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.777 40.7-104.3-114.9 167.0 43.6 14.0 23.4 76 28 B E H > S+ 0 0 41 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.924 119.9 50.4 -56.7 -47.8 41.7 17.3 23.5 77 29 B R H > S+ 0 0 197 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.894 111.5 46.1 -61.5 -42.0 42.5 18.0 19.8 78 30 B R H > S+ 0 0 28 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.916 112.5 51.3 -69.0 -39.2 41.3 14.6 18.6 79 31 B R H X S+ 0 0 55 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.924 111.4 48.0 -60.2 -44.9 38.2 14.9 20.7 80 32 B Q H X S+ 0 0 96 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.896 113.1 47.8 -64.0 -42.9 37.5 18.3 19.3 81 33 B Q H X S+ 0 0 95 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.930 112.7 47.9 -63.8 -47.8 38.0 17.1 15.7 82 34 B L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 6,-0.3 0.927 112.4 49.6 -60.0 -43.7 35.8 14.1 16.2 83 35 B S H X>S+ 0 0 22 -4,-2.5 4,-1.6 -5,-0.2 5,-1.5 0.958 114.7 44.4 -59.9 -49.6 33.1 16.2 17.7 84 36 B S H <5S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.885 117.8 42.5 -61.0 -47.4 33.2 18.7 14.9 85 37 B E H <5S+ 0 0 116 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.794 120.7 40.6 -76.8 -27.8 33.3 16.2 12.1 86 38 B L H <5S- 0 0 25 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.605 102.5-122.5 -95.5 -12.8 30.7 13.8 13.5 87 39 B G T <5S+ 0 0 66 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.876 72.0 123.3 71.1 34.5 28.2 16.4 14.8 88 40 B L < - 0 0 14 -5,-1.5 -1,-0.3 -6,-0.3 -2,-0.2 -0.914 64.1-110.1-122.9 152.3 28.5 14.9 18.3 89 41 B N > - 0 0 89 -2,-0.3 4,-1.8 -3,-0.1 3,-0.2 -0.380 31.4-107.3 -82.0 163.0 29.4 16.8 21.5 90 42 B E H > S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.860 117.3 55.7 -60.9 -36.8 32.7 16.2 23.3 91 43 B A H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.910 105.3 52.6 -64.4 -40.1 31.1 14.3 26.2 92 44 B Q H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 110.8 47.7 -62.7 -39.3 29.5 11.8 23.7 93 45 B I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.951 113.0 47.5 -66.4 -47.0 32.9 11.2 22.2 94 46 B K H X S+ 0 0 110 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.906 112.4 48.7 -58.2 -48.5 34.6 10.7 25.5 95 47 B I H X S+ 0 0 48 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.881 109.6 52.9 -60.5 -39.2 32.0 8.4 26.8 96 48 B W H X S+ 0 0 27 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.930 112.5 44.1 -64.8 -44.3 32.1 6.3 23.6 97 49 B F H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.912 112.4 53.6 -63.5 -42.8 35.8 5.9 24.0 98 50 B Q H X S+ 0 0 80 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.948 113.5 42.5 -54.5 -51.6 35.4 5.2 27.7 99 51 B N H X S+ 0 0 19 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.887 110.6 56.3 -65.0 -38.2 32.9 2.4 26.9 100 52 B E H X S+ 0 0 38 -4,-2.4 4,-0.9 -5,-0.3 -1,-0.2 0.921 108.1 46.1 -66.6 -41.5 34.9 1.1 24.1 101 53 B R H >< S+ 0 0 84 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.891 111.1 54.4 -65.4 -37.0 38.0 0.5 26.2 102 54 B A H 3< S+ 0 0 67 -4,-1.8 3,-0.2 -5,-0.2 -1,-0.2 0.827 102.1 60.0 -62.7 -29.6 35.8 -1.1 28.8 103 55 B K H 3< S+ 0 0 96 -4,-1.7 2,-1.5 1,-0.2 -1,-0.2 0.776 88.8 71.4 -72.5 -27.9 34.5 -3.5 26.2 104 56 B I << 0 0 55 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.1 -0.369 360.0 360.0 -87.6 56.6 37.9 -4.9 25.4 105 57 B K 0 0 136 -2,-1.5 -2,-0.2 -3,-0.2 -1,-0.1 0.287 360.0 360.0 76.3 360.0 38.1 -6.8 28.7 106 !* 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 0.0 107 6 C T 0 0 115 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.8 13.4 36.3 10.9 108 7 C A - 0 0 96 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.589 360.0-179.3-127.8 78.4 14.7 32.8 10.2 109 8 C F - 0 0 50 -2,-0.2 2,-0.1 1,-0.1 32,-0.0 -0.458 24.4-127.0 -78.1 143.3 12.1 30.2 11.0 110 9 C S > - 0 0 45 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.368 31.8-104.2 -76.6 168.7 12.8 26.5 10.6 111 10 C S H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 123.9 51.8 -62.0 -40.5 10.4 24.4 8.5 112 11 C E H > S+ 0 0 136 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 110.3 48.6 -58.9 -47.6 8.9 22.9 11.7 113 12 C Q H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.942 112.2 48.3 -59.7 -46.6 8.4 26.4 13.2 114 13 C L H X S+ 0 0 64 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.911 111.1 49.6 -62.2 -45.3 6.8 27.7 10.1 115 14 C A H X S+ 0 0 63 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.863 111.0 49.6 -64.4 -38.1 4.4 24.7 9.8 116 15 C R H X S+ 0 0 57 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.938 110.7 51.0 -64.6 -42.5 3.4 25.0 13.4 117 16 C L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.909 110.7 47.9 -62.6 -43.2 2.7 28.8 12.9 118 17 C K H X S+ 0 0 93 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.901 111.3 50.4 -65.0 -41.2 0.6 28.1 9.9 119 18 C R H X S+ 0 0 124 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.962 112.9 46.5 -61.3 -48.5 -1.4 25.4 11.7 120 19 C E H >X S+ 0 0 18 -4,-2.9 4,-2.4 1,-0.2 3,-1.1 0.931 110.9 52.3 -59.1 -43.6 -2.0 27.8 14.7 121 20 C F H 3< S+ 0 0 22 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.890 104.7 57.8 -60.0 -36.3 -2.9 30.6 12.3 122 21 C N H 3< S+ 0 0 128 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.716 110.7 42.5 -65.7 -24.0 -5.5 28.2 10.7 123 22 C E H << S- 0 0 132 -3,-1.1 2,-0.3 -4,-0.9 -2,-0.2 0.827 138.0 -7.8 -89.5 -38.7 -7.2 27.7 14.1 124 23 C N < - 0 0 75 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.822 52.8-158.8-162.8 116.4 -7.2 31.3 15.2 125 24 C R S S+ 0 0 105 -2,-0.3 2,-0.4 -3,-0.2 29,-0.1 0.381 76.8 72.4 -83.6 5.2 -5.4 34.2 13.5 126 25 C Y S S- 0 0 144 -5,-0.1 2,-0.5 28,-0.0 25,-0.0 -0.927 72.4-143.6-117.7 148.5 -5.4 36.4 16.6 127 26 C L - 0 0 37 -2,-0.4 2,-0.2 20,-0.1 -2,-0.0 -0.917 2.6-152.0-115.1 131.5 -3.1 35.8 19.6 128 27 C T > - 0 0 83 -2,-0.5 4,-2.9 1,-0.1 5,-0.2 -0.577 36.5-105.7 -86.7 165.3 -4.0 36.3 23.2 129 28 C E H > S+ 0 0 58 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.911 121.7 48.2 -56.7 -46.7 -1.2 37.2 25.5 130 29 C R H > S+ 0 0 217 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.930 111.6 48.5 -62.7 -46.2 -1.3 33.6 27.0 131 30 C R H > S+ 0 0 43 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.943 111.2 50.6 -59.5 -45.5 -1.3 31.9 23.6 132 31 C R H X S+ 0 0 64 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.935 111.5 48.5 -57.2 -47.1 1.6 34.1 22.5 133 32 C Q H X S+ 0 0 107 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.916 112.9 48.1 -58.7 -44.0 3.5 33.1 25.7 134 33 C Q H X S+ 0 0 105 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.891 113.2 46.0 -66.2 -39.6 2.7 29.4 25.1 135 34 C L H X S+ 0 0 4 -4,-2.8 4,-3.5 2,-0.2 6,-0.4 0.887 108.5 56.1 -69.3 -40.2 3.8 29.4 21.5 136 35 C S H X>S+ 0 0 23 -4,-2.5 5,-1.3 -5,-0.3 4,-1.3 0.925 112.4 43.5 -55.3 -46.4 6.9 31.3 22.2 137 36 C S H <5S+ 0 0 93 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.923 117.5 44.5 -66.5 -44.9 7.8 28.5 24.7 138 37 C E H <5S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.877 120.8 38.3 -71.1 -35.7 6.8 25.7 22.4 139 38 C L H <5S- 0 0 19 -4,-3.5 -1,-0.2 2,-0.2 -2,-0.2 0.571 102.4-123.3 -90.7 -13.2 8.4 27.1 19.3 140 39 C G T <5 + 0 0 66 -4,-1.3 2,-0.4 -5,-0.3 -3,-0.2 0.814 69.7 132.7 70.5 29.5 11.6 28.4 20.9 141 40 C L < - 0 0 20 -5,-1.3 -1,-0.3 -6,-0.4 -2,-0.2 -0.920 61.6-114.5-115.7 140.7 10.7 31.8 19.4 142 41 C N > - 0 0 87 -2,-0.4 4,-1.6 1,-0.1 5,-0.1 -0.332 31.7-113.5 -67.5 154.9 10.6 35.1 21.2 143 42 C E H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.833 112.2 56.3 -59.7 -37.4 7.2 36.8 21.5 144 43 C A H > S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.954 104.8 52.4 -65.4 -46.4 7.9 39.7 19.2 145 44 C Q H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 113.2 45.1 -55.0 -41.4 8.8 37.4 16.3 146 45 C I H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.937 111.9 50.6 -67.6 -47.0 5.5 35.5 16.8 147 46 C K H X S+ 0 0 94 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.904 111.9 49.2 -54.7 -44.9 3.4 38.7 17.1 148 47 C I H X S+ 0 0 76 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.907 109.3 50.8 -66.1 -44.2 5.0 40.0 13.9 149 48 C W H X S+ 0 0 30 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.954 110.8 48.7 -59.7 -47.5 4.4 36.9 11.9 150 49 C F H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.949 112.9 48.4 -58.4 -47.3 0.7 36.7 12.9 151 50 C Q H X S+ 0 0 87 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.944 113.1 45.8 -55.4 -53.8 0.3 40.4 12.0 152 51 C N H X S+ 0 0 97 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.899 112.0 52.9 -57.0 -41.0 2.0 40.1 8.6 153 52 C E H >X S+ 0 0 23 -4,-2.7 4,-1.1 -5,-0.3 3,-0.6 0.907 110.2 47.1 -63.9 -41.8 -0.0 36.9 8.0 154 53 C R H 3X S+ 0 0 64 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.880 104.3 62.2 -64.8 -38.7 -3.3 38.8 8.7 155 54 C A H 3< S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.741 97.7 58.8 -61.5 -25.0 -2.1 41.7 6.5 156 55 C K H << S+ 0 0 146 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.996 99.8 53.7 -64.0 -64.8 -2.1 39.3 3.5 157 56 C I H < 0 0 74 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.751 360.0 360.0 -37.8 -32.7 -5.8 38.3 3.9 158 57 C K < 0 0 120 -4,-1.1 -2,-0.2 0, 0.0 -1,-0.2 0.946 360.0 360.0 -83.1 360.0 -6.4 42.1 3.7 159 !* 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 0.0 160 6 D T 0 0 139 0, 0.0 38,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.7 9.3 2.0 32.0 161 7 D A + 0 0 93 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.256 360.0 152.7-122.0 50.0 7.5 5.1 33.2 162 8 D F - 0 0 45 1,-0.1 2,-0.1 4,-0.1 32,-0.0 -0.541 40.4-127.2 -76.0 141.5 10.4 7.3 34.3 163 9 D S > - 0 0 52 -2,-0.2 4,-2.8 1,-0.1 5,-0.3 -0.405 27.8-103.9 -78.2 165.7 9.8 11.1 34.1 164 10 D S H > S+ 0 0 104 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 123.2 48.1 -55.4 -46.5 12.2 13.4 32.3 165 11 D E H > S+ 0 0 160 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 111.1 50.2 -61.2 -49.9 13.7 14.5 35.6 166 12 D Q H > S+ 0 0 30 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.949 114.0 44.3 -53.5 -52.7 14.1 11.0 36.9 167 13 D L H X S+ 0 0 60 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.940 111.3 52.6 -60.2 -49.2 15.8 9.8 33.7 168 14 D A H X S+ 0 0 59 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.908 112.3 47.2 -54.7 -39.2 18.1 12.8 33.4 169 15 D R H X S+ 0 0 55 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.931 110.3 50.6 -72.1 -41.9 19.1 12.2 37.0 170 16 D L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.918 111.6 49.2 -58.1 -41.0 19.8 8.5 36.5 171 17 D K H X S+ 0 0 102 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.837 109.8 51.0 -70.8 -34.4 21.9 9.3 33.4 172 18 D R H X S+ 0 0 132 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.2 0.915 112.7 46.3 -64.3 -44.9 23.9 11.8 35.3 173 19 D E H >X S+ 0 0 14 -4,-2.5 4,-2.9 1,-0.2 3,-0.6 0.942 110.6 52.3 -63.7 -47.6 24.6 9.3 38.1 174 20 D F H 3< S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.841 107.5 51.4 -57.5 -40.1 25.5 6.5 35.7 175 21 D N H 3< S+ 0 0 74 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.723 111.6 48.1 -75.0 -19.9 28.0 8.7 33.9 176 22 D E H << S- 0 0 132 -4,-1.1 2,-0.3 -3,-0.6 -2,-0.2 0.924 136.6 -1.1 -77.8 -48.1 29.6 9.6 37.2 177 23 D N < - 0 0 71 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.1 -0.953 55.0-156.0-147.2 121.5 29.7 6.0 38.3 178 24 D R S S+ 0 0 29 -2,-0.3 2,-0.3 -3,-0.2 29,-0.1 0.677 83.8 68.5 -68.1 -21.0 28.4 2.9 36.4 179 25 D Y S S- 0 0 151 -5,-0.1 2,-0.5 28,-0.0 25,-0.0 -0.818 70.3-154.3-105.2 144.9 28.1 1.1 39.7 180 26 D L - 0 0 33 -2,-0.3 2,-0.1 20,-0.1 -2,-0.0 -0.974 7.6-146.0-123.5 118.5 25.6 1.9 42.4 181 27 D T > - 0 0 86 -2,-0.5 4,-2.8 1,-0.1 5,-0.2 -0.450 28.2-112.9 -76.2 161.9 26.1 1.1 46.0 182 28 D E H > S+ 0 0 127 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.922 118.7 52.3 -61.0 -43.6 23.2 0.2 48.2 183 29 D R H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.947 112.7 43.4 -59.3 -48.1 23.6 3.4 50.2 184 30 D R H > S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.882 113.5 52.6 -65.8 -35.8 23.6 5.5 47.0 185 31 D R H X S+ 0 0 40 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.876 107.7 51.2 -65.2 -40.4 20.6 3.5 45.7 186 32 D Q H X S+ 0 0 108 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.949 112.5 46.8 -60.4 -50.5 18.7 4.1 48.9 187 33 D Q H X S+ 0 0 43 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.923 112.6 47.9 -57.8 -48.2 19.3 7.8 48.6 188 34 D L H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 6,-0.3 0.898 109.5 54.8 -62.4 -38.9 18.4 8.0 44.9 189 35 D S H X>S+ 0 0 23 -4,-2.3 5,-1.3 1,-0.2 4,-1.3 0.941 112.3 42.7 -58.0 -49.8 15.3 6.0 45.6 190 36 D S H <5S+ 0 0 99 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.912 118.0 44.9 -62.9 -45.6 14.2 8.5 48.2 191 37 D E H <5S+ 0 0 115 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.891 122.0 36.1 -67.6 -41.3 15.2 11.6 46.1 192 38 D L H <5S- 0 0 27 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.532 101.8-126.3 -90.6 -8.4 13.6 10.4 42.9 193 39 D G T <5 + 0 0 64 -4,-1.3 2,-0.4 -5,-0.3 -3,-0.2 0.883 65.8 133.0 62.6 38.3 10.6 8.6 44.4 194 40 D L < - 0 0 15 -5,-1.3 -1,-0.2 -6,-0.3 -2,-0.2 -0.963 63.8-103.5-121.1 142.7 11.5 5.4 42.6 195 41 D N > - 0 0 103 -2,-0.4 4,-1.7 1,-0.1 3,-0.3 -0.289 27.5-125.2 -60.0 144.4 11.6 1.9 44.0 196 42 D E H > S+ 0 0 60 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.823 110.0 61.0 -62.4 -34.0 15.1 0.6 44.6 197 43 D A H > S+ 0 0 60 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.918 104.1 48.1 -59.7 -44.0 14.4 -2.4 42.4 198 44 D Q H > S+ 0 0 80 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.899 115.3 44.3 -64.2 -40.2 13.7 -0.2 39.4 199 45 D I H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.947 112.9 51.6 -68.3 -47.9 16.9 1.8 39.9 200 46 D K H X S+ 0 0 92 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.937 114.3 43.6 -51.4 -52.4 18.9 -1.3 40.6 201 47 D I H X S+ 0 0 80 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.837 109.1 56.4 -66.4 -37.7 17.6 -2.9 37.4 202 48 D W H X S+ 0 0 25 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.914 108.2 49.1 -60.7 -41.8 18.0 0.3 35.3 203 49 D F H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.933 112.7 46.8 -65.1 -43.4 21.7 0.4 36.2 204 50 D Q H X S+ 0 0 79 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.887 114.1 47.2 -65.1 -40.6 22.3 -3.3 35.3 205 51 D N H X S+ 0 0 90 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.844 109.9 53.6 -69.7 -33.3 20.4 -2.9 32.0 206 52 D E H X S+ 0 0 24 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.864 109.0 48.4 -72.1 -35.1 22.4 0.2 31.2 207 53 D R H X S+ 0 0 72 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.905 109.9 53.9 -65.2 -42.7 25.7 -1.6 31.8 208 54 D A H X S+ 0 0 53 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.898 103.0 56.5 -59.0 -41.6 24.3 -4.4 29.5 209 55 D K H < S+ 0 0 131 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.947 109.1 46.5 -55.5 -49.4 23.6 -1.8 26.8 210 56 D I H < S+ 0 0 37 -4,-1.5 -2,-0.2 2,-0.3 -1,-0.2 0.987 110.6 50.0 -56.2 -65.0 27.2 -0.8 26.8 211 57 D K H < 0 0 78 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.825 360.0 360.0 -42.3 -39.5 28.6 -4.3 26.8 212 58 D K < 0 0 110 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.3 0.652 360.0 360.0 -96.6 360.0 26.3 -5.1 23.9