==== 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 1P7I . 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) . 14309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 66.0 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 . 2 1.0 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 . 0 0.0 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 . 126 60.3 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 6 2 0 0 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 . 1 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 0 104 0, 0.0 3,-0.1 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 115.7 4.6 12.6 41.6 2 4 A P - 0 0 122 0, 0.0 2,-0.3 0, 0.0 40,-0.0 -0.327 360.0-103.2 -59.6 146.5 3.4 15.9 43.1 3 5 A R - 0 0 59 1,-0.1 39,-0.0 42,-0.1 3,-0.0 -0.576 31.3-135.4 -79.4 133.3 5.0 16.8 46.4 4 6 A T - 0 0 66 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 -0.255 28.8 -97.6 -73.3 170.4 3.0 16.3 49.5 5 7 A A - 0 0 89 -2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.814 39.4-143.8 -91.5 130.9 2.9 19.0 52.3 6 8 A F - 0 0 40 -2,-0.5 2,-0.0 1,-0.1 32,-0.0 -0.759 10.7-124.8 -96.3 142.1 5.3 18.1 55.1 7 9 A S > - 0 0 49 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.323 30.5-103.5 -75.6 165.9 4.6 18.8 58.8 8 10 A S H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.878 123.2 50.8 -53.2 -43.5 6.9 20.9 61.0 9 11 A E H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 110.3 47.5 -65.3 -42.6 8.2 17.7 62.6 10 12 A Q H > S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.941 113.7 48.6 -64.1 -44.3 8.9 16.0 59.3 11 13 A L H X S+ 0 0 45 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.886 106.7 56.8 -63.8 -40.4 10.6 19.2 58.1 12 14 A A H X S+ 0 0 62 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.935 111.3 42.7 -54.9 -50.8 12.7 19.4 61.2 13 15 A R H X S+ 0 0 38 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.925 113.9 50.7 -61.9 -47.1 14.0 15.9 60.7 14 16 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.923 110.2 49.8 -61.5 -42.0 14.6 16.4 57.0 15 17 A K H X S+ 0 0 120 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.926 112.1 46.2 -63.7 -45.1 16.5 19.7 57.5 16 18 A R H X S+ 0 0 135 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.2 0.934 114.4 48.9 -63.7 -43.5 18.8 18.2 60.1 17 19 A E H >X S+ 0 0 19 -4,-2.6 4,-2.6 1,-0.2 3,-0.6 0.918 110.0 51.5 -61.4 -42.0 19.4 15.1 58.0 18 20 A F H 3< S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.850 106.7 54.5 -63.6 -33.5 20.2 17.3 54.9 19 21 A N H 3< S+ 0 0 126 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.724 111.6 44.4 -75.8 -21.1 22.7 19.2 57.0 20 22 A E H << S- 0 0 148 -4,-1.1 2,-0.3 -3,-0.6 -2,-0.2 0.886 136.7 -4.0 -83.1 -44.7 24.5 16.0 57.9 21 23 A N < - 0 0 72 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.1 -0.907 53.0-159.5-155.6 119.5 24.5 14.5 54.4 22 24 A R S S+ 0 0 147 -2,-0.3 2,-0.4 -3,-0.2 29,-0.1 0.519 75.8 72.7 -82.1 -1.8 22.8 15.9 51.3 23 25 A Y S S- 0 0 147 -5,-0.0 2,-0.3 28,-0.0 25,-0.0 -0.939 71.1-141.0-121.5 136.2 22.8 12.5 49.6 24 26 A L - 0 0 41 -2,-0.4 2,-0.3 20,-0.1 -2,-0.0 -0.709 8.2-163.3 -97.6 142.8 20.6 9.5 50.3 25 27 A T > - 0 0 53 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.714 39.9-101.5-108.3 170.0 21.4 5.9 50.3 26 28 A E H > S+ 0 0 52 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.924 121.0 47.2 -56.3 -51.3 18.7 3.2 50.1 27 29 A R H > S+ 0 0 197 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.908 113.6 47.3 -62.4 -39.7 18.9 2.4 53.8 28 30 A R H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.936 112.0 50.3 -69.4 -39.8 18.8 6.0 54.9 29 31 A R H X S+ 0 0 66 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.932 112.8 47.5 -60.6 -43.2 15.8 6.7 52.5 30 32 A Q H X S+ 0 0 105 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.888 110.5 51.0 -65.7 -41.2 14.0 3.6 54.0 31 33 A Q H X S+ 0 0 88 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.939 112.2 47.5 -62.5 -43.5 14.8 4.7 57.6 32 34 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 6,-0.3 0.924 111.3 50.7 -63.2 -42.5 13.4 8.2 56.9 33 35 A S H X>S+ 0 0 25 -4,-2.4 4,-1.7 1,-0.2 5,-1.2 0.941 114.8 42.5 -60.6 -47.2 10.3 6.9 55.2 34 36 A S H <5S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.847 118.7 44.4 -70.3 -33.4 9.5 4.5 58.1 35 37 A E H <5S+ 0 0 111 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.750 121.8 38.4 -85.0 -19.5 10.3 7.1 60.8 36 38 A L H <5S- 0 0 25 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.587 99.5-123.7-106.1 -11.1 8.5 9.9 59.1 37 39 A G T <5 + 0 0 70 -4,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.839 69.3 129.8 68.5 31.5 5.4 8.3 57.6 38 40 A L < - 0 0 13 -5,-1.2 -1,-0.3 -6,-0.3 -2,-0.2 -0.935 65.5-107.0-118.0 143.5 6.4 9.5 54.2 39 41 A N > - 0 0 109 -2,-0.4 4,-1.9 1,-0.1 3,-0.4 -0.341 29.9-120.2 -58.9 145.4 6.6 7.6 51.0 40 42 A E H > S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.865 115.5 60.1 -57.4 -36.8 10.3 7.0 49.8 41 43 A A H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 104.5 48.5 -56.6 -43.6 9.4 8.9 46.6 42 44 A Q H > S+ 0 0 27 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.878 110.4 51.2 -67.6 -36.4 8.5 11.9 48.7 43 45 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.948 111.1 47.7 -64.7 -48.3 11.7 11.7 50.7 44 46 A K H X S+ 0 0 109 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.906 111.5 51.0 -58.9 -43.6 13.8 11.5 47.5 45 47 A I H X S+ 0 0 31 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.905 108.2 51.3 -62.0 -43.1 11.9 14.5 46.0 46 48 A W H X S+ 0 0 36 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.917 112.0 47.0 -61.6 -43.7 12.5 16.6 49.0 47 49 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.924 113.8 47.4 -63.9 -44.8 16.3 15.8 48.9 48 50 A Q H X S+ 0 0 85 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.951 113.7 47.7 -60.4 -47.3 16.5 16.5 45.2 49 51 A N H X S+ 0 0 91 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.892 110.1 53.3 -61.9 -39.4 14.6 19.8 45.6 50 52 A A H < S+ 0 0 25 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.870 109.9 46.7 -65.9 -38.6 16.7 20.8 48.5 51 53 A R H < S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.917 111.8 52.7 -67.1 -40.7 20.0 20.3 46.5 52 54 A A H < 0 0 84 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.955 360.0 360.0 -57.7 -51.9 18.4 22.2 43.6 53 55 A K < 0 0 121 -4,-2.7 0, 0.0 -5,-0.1 0, 0.0 -0.098 360.0 360.0 -58.3 360.0 17.5 25.2 45.8 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 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.1 23.1 44.9 18.1 56 8 B F - 0 0 60 1,-0.1 2,-0.0 2,-0.1 32,-0.0 -0.201 360.0-115.7 -44.5 138.6 19.9 44.2 16.3 57 9 B S > - 0 0 45 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.303 26.2-106.9 -71.7 167.7 20.0 44.8 12.5 58 10 B S H > S+ 0 0 83 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.846 122.4 55.3 -68.1 -31.7 17.9 47.5 10.8 59 11 B E H > S+ 0 0 137 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.928 109.1 46.8 -64.3 -43.5 15.7 44.8 9.4 60 12 B Q H > S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.938 115.2 45.4 -64.8 -45.3 15.1 43.4 13.0 61 13 B L H X S+ 0 0 54 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.906 110.1 54.5 -66.0 -42.0 14.4 46.9 14.4 62 14 B A H X S+ 0 0 60 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.931 112.4 43.8 -56.2 -49.8 12.1 47.9 11.4 63 15 B R H X S+ 0 0 39 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.963 114.8 48.6 -59.0 -53.5 10.0 44.8 12.1 64 16 B L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.924 111.4 50.0 -56.1 -45.0 9.9 45.3 15.9 65 17 B K H X S+ 0 0 110 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.939 112.7 46.0 -61.3 -46.1 9.0 49.0 15.6 66 18 B R H X S+ 0 0 115 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.944 113.6 49.0 -63.0 -45.1 6.1 48.3 13.2 67 19 B E H X S+ 0 0 12 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.911 110.0 52.4 -60.8 -40.5 4.9 45.4 15.4 68 20 B F H < S+ 0 0 18 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.896 107.8 50.7 -63.9 -40.8 5.1 47.6 18.4 69 21 B N H < S+ 0 0 135 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.830 111.0 49.7 -66.5 -29.8 3.0 50.3 16.8 70 22 B E H < S- 0 0 126 -4,-1.8 2,-0.3 1,-0.3 -2,-0.2 0.891 135.8 -8.0 -76.3 -36.0 0.4 47.8 15.8 71 23 B N < - 0 0 70 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.871 54.1-156.3-164.8 121.8 0.1 46.3 19.3 72 24 B R S S+ 0 0 22 -2,-0.3 2,-0.3 -3,-0.2 29,-0.1 0.525 75.0 75.9 -81.2 -8.0 2.4 47.0 22.4 73 25 B Y S S- 0 0 158 -5,-0.1 2,-0.4 28,-0.0 25,-0.0 -0.799 70.5-138.6-110.2 148.5 1.6 43.7 24.1 74 26 B L - 0 0 43 -2,-0.3 2,-0.3 20,-0.1 -2,-0.0 -0.866 10.3-166.1-108.1 137.4 2.9 40.2 23.3 75 27 B T > - 0 0 82 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.690 40.7-103.1-105.5 169.0 1.1 36.9 23.2 76 28 B E H > S+ 0 0 120 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.935 120.2 50.0 -57.4 -49.3 2.9 33.6 23.1 77 29 B R H > S+ 0 0 66 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.872 112.7 45.8 -61.9 -38.3 2.2 33.0 19.4 78 30 B R H > S+ 0 0 30 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.909 111.8 51.0 -74.4 -39.9 3.4 36.5 18.4 79 31 B R H X S+ 0 0 45 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.948 114.0 45.9 -57.6 -47.8 6.5 36.2 20.5 80 32 B Q H X S+ 0 0 78 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.928 111.9 50.3 -62.2 -44.7 7.2 32.8 18.9 81 33 B Q H X S+ 0 0 92 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.913 112.1 47.6 -62.0 -41.8 6.5 34.1 15.4 82 34 B L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 6,-0.4 0.928 111.7 50.6 -66.1 -42.1 8.8 37.1 16.0 83 35 B S H X>S+ 0 0 22 -4,-2.5 4,-1.6 -5,-0.2 5,-0.6 0.948 113.7 44.9 -60.3 -48.3 11.6 34.9 17.3 84 36 B S H <5S+ 0 0 98 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.915 119.4 40.2 -60.7 -47.4 11.3 32.5 14.4 85 37 B E H <5S+ 0 0 118 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.723 120.9 41.1 -81.4 -20.1 11.2 35.2 11.8 86 38 B L H <5S- 0 0 24 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.619 98.0-126.5-100.6 -13.0 13.8 37.6 13.3 87 39 B G T <5 + 0 0 66 -4,-1.6 2,-0.3 1,-0.3 -3,-0.1 0.707 69.5 126.7 73.1 17.8 16.4 35.0 14.4 88 40 B L < - 0 0 12 -5,-0.6 -1,-0.3 -6,-0.4 -2,-0.2 -0.781 64.3-108.7-102.7 155.3 16.2 36.5 17.9 89 41 B N > - 0 0 86 -2,-0.3 4,-1.7 -3,-0.1 3,-0.2 -0.369 29.7-108.2 -80.0 161.4 15.6 34.5 21.0 90 42 B E H > S+ 0 0 76 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.888 118.2 55.5 -57.9 -38.5 12.3 34.7 22.9 91 43 B A H > S+ 0 0 51 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.915 105.9 52.0 -62.4 -40.0 13.8 36.5 25.8 92 44 B Q H > S+ 0 0 68 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 109.8 48.8 -66.6 -36.4 15.2 39.2 23.5 93 45 B I H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.957 113.2 46.8 -66.4 -48.3 11.8 39.8 22.0 94 46 B K H X S+ 0 0 111 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.929 114.1 47.3 -57.5 -48.5 10.1 40.0 25.4 95 47 B I H X S+ 0 0 87 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.895 109.3 53.6 -61.8 -41.5 12.7 42.4 26.7 96 48 B W H X S+ 0 0 43 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.910 112.5 44.5 -61.3 -44.1 12.6 44.6 23.7 97 49 B F H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.899 111.4 53.5 -67.1 -41.7 8.8 44.9 24.1 98 50 B Q H X S+ 0 0 123 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.943 113.2 43.7 -55.3 -49.8 9.3 45.5 27.9 99 51 B N H X S+ 0 0 83 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.882 110.5 54.2 -63.6 -42.4 11.7 48.3 27.2 100 52 B A H >X S+ 0 0 11 -4,-2.2 4,-1.6 -5,-0.2 3,-0.6 0.886 109.9 47.5 -63.8 -37.4 9.7 49.9 24.4 101 53 B R H 3< S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.918 104.1 61.8 -68.0 -40.4 6.6 50.1 26.6 102 54 B A H 3< S+ 0 0 86 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.667 112.3 37.3 -61.6 -16.1 8.6 51.6 29.5 103 55 B K H << 0 0 173 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.711 360.0 360.0-113.7 -19.9 9.5 54.6 27.3 104 56 B I < 0 0 145 -4,-1.6 -3,-0.0 -3,-0.1 0, 0.0 -0.005 360.0 360.0 -71.0 360.0 6.3 55.3 25.2 105 !* 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 0.0 106 6 C T 0 0 120 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.7 7.8 12.6 97.8 107 7 C A - 0 0 97 1,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.553 360.0-145.2 -63.1 130.2 7.9 9.8 100.5 108 8 C F - 0 0 42 -2,-0.3 2,-0.1 1,-0.1 -1,-0.0 -0.686 14.7-115.6 -97.8 147.9 10.3 7.0 99.6 109 9 C S > - 0 0 45 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.393 33.8-105.1 -73.4 164.8 9.6 3.3 100.4 110 10 C S H > S+ 0 0 91 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.906 123.2 49.8 -56.9 -43.6 12.0 1.6 102.8 111 11 C E H > S+ 0 0 135 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.916 109.1 51.9 -62.6 -44.3 13.6 -0.2 99.9 112 12 C Q H > S+ 0 0 34 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.936 112.0 45.9 -58.2 -47.3 14.0 3.0 97.9 113 13 C L H X S+ 0 0 87 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.905 111.6 51.1 -63.1 -46.0 15.8 4.8 100.8 114 14 C A H X S+ 0 0 51 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.928 111.8 47.7 -60.0 -43.5 18.0 1.8 101.6 115 15 C R H X S+ 0 0 47 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.934 111.6 50.1 -65.0 -42.7 19.0 1.7 98.0 116 16 C L H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.909 109.6 52.0 -60.8 -40.3 19.6 5.5 97.9 117 17 C K H X S+ 0 0 41 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.893 109.7 47.5 -64.3 -42.0 21.8 5.2 101.1 118 18 C R H X S+ 0 0 149 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.937 113.7 48.8 -64.7 -44.0 24.0 2.5 99.7 119 19 C E H >X S+ 0 0 20 -4,-2.4 4,-2.2 1,-0.2 3,-1.1 0.956 110.6 50.7 -59.5 -47.5 24.4 4.5 96.5 120 20 C F H 3< S+ 0 0 50 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.862 105.4 57.4 -59.0 -34.9 25.2 7.6 98.5 121 21 C N H 3< S+ 0 0 106 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.754 108.2 46.6 -70.4 -23.4 27.8 5.6 100.4 122 22 C E H << S- 0 0 69 -3,-1.1 75,-2.8 -4,-1.1 2,-0.3 0.928 135.7 -5.3 -81.1 -50.9 29.6 4.7 97.2 123 23 C N B < -A 196 0A 0 -4,-2.2 -1,-0.3 73,-0.2 73,-0.2 -0.930 54.9-156.8-149.2 121.0 29.7 8.2 95.6 124 24 C R S S+ 0 0 12 71,-2.7 2,-0.4 -2,-0.3 29,-0.1 0.622 80.0 72.6 -73.7 -12.7 27.9 11.2 97.1 125 25 C Y S S- 0 0 110 70,-0.4 2,-0.5 69,-0.1 40,-0.1 -0.879 73.9-144.9-111.2 138.5 27.8 12.8 93.7 126 26 C L - 0 0 27 -2,-0.4 2,-0.2 20,-0.1 38,-0.1 -0.839 4.4-148.5-106.6 123.1 25.5 11.7 91.0 127 27 C T > - 0 0 29 -2,-0.5 4,-2.8 36,-0.2 5,-0.2 -0.526 32.6-108.6 -79.0 160.8 26.4 11.7 87.2 128 28 C E H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.923 119.2 46.3 -53.9 -48.1 23.6 12.3 84.7 129 29 C R H > S+ 0 0 218 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 112.2 49.5 -64.8 -40.1 23.8 8.6 83.5 130 30 C R H > S+ 0 0 19 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.922 110.4 50.6 -67.8 -41.7 23.8 7.2 87.0 131 31 C R H X S+ 0 0 42 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.916 111.0 49.0 -59.3 -43.5 20.9 9.3 88.0 132 32 C Q H X S+ 0 0 84 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.903 112.4 48.1 -66.0 -40.8 18.9 8.1 85.0 133 33 C Q H X S+ 0 0 105 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.930 112.8 47.3 -64.3 -47.0 19.7 4.5 85.7 134 34 C L H X S+ 0 0 4 -4,-3.0 4,-2.6 1,-0.2 6,-0.4 0.880 108.5 56.9 -62.6 -37.6 18.7 4.8 89.4 135 35 C S H X>S+ 0 0 24 -4,-2.4 4,-1.5 -5,-0.2 5,-1.3 0.920 110.7 43.4 -56.8 -44.1 15.6 6.6 88.3 136 36 C S H <5S+ 0 0 93 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.901 115.9 46.7 -69.9 -42.1 14.7 3.6 86.2 137 37 C E H <5S+ 0 0 97 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.838 121.2 35.8 -72.3 -31.5 15.6 1.0 88.8 138 38 C L H <5S- 0 0 27 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.613 102.4-122.0 -98.2 -14.0 13.8 2.7 91.7 139 39 C G T <5 + 0 0 66 -4,-1.5 2,-0.4 -5,-0.3 -3,-0.2 0.826 67.4 136.4 73.8 31.6 10.8 4.0 89.8 140 40 C L < - 0 0 12 -5,-1.3 -1,-0.3 -6,-0.4 -2,-0.2 -0.911 61.3-110.8-114.9 139.9 11.7 7.6 91.0 141 41 C N >> - 0 0 101 -2,-0.4 4,-1.7 1,-0.1 3,-0.6 -0.367 30.5-122.3 -57.2 142.3 11.8 10.8 89.0 142 42 C E H 3> S+ 0 0 66 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.871 112.5 58.7 -56.3 -38.3 15.3 12.1 88.5 143 43 C A H 3> S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.867 104.1 50.8 -60.7 -37.3 14.4 15.3 90.3 144 44 C Q H <> S+ 0 0 53 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.885 111.2 47.9 -70.1 -38.4 13.4 13.3 93.4 145 45 C I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.913 111.4 50.7 -67.0 -41.6 16.7 11.5 93.4 146 46 C K H X S+ 0 0 98 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.914 110.1 49.3 -63.1 -42.8 18.7 14.7 92.9 147 47 C I H X S+ 0 0 78 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.923 110.1 51.3 -63.5 -43.1 16.9 16.4 95.8 148 48 C W H X S+ 0 0 53 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.952 112.2 46.7 -59.6 -47.1 17.5 13.4 98.1 149 49 C F H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.905 112.5 49.1 -62.2 -42.1 21.2 13.5 97.1 150 50 C Q H X S+ 0 0 87 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.911 113.3 46.6 -64.0 -44.7 21.5 17.3 97.7 151 51 C N H >X S+ 0 0 89 -4,-2.8 4,-1.9 -5,-0.2 3,-0.8 0.919 111.8 52.4 -60.8 -44.7 19.8 17.1 101.0 152 52 C A H 3< S+ 0 0 15 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.921 105.5 52.6 -58.7 -47.3 22.1 14.2 101.9 153 53 C R H 3< S+ 0 0 89 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.705 111.1 50.5 -63.6 -17.4 25.2 16.1 101.1 154 54 C A H << 0 0 83 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.809 360.0 360.0 -88.2 -36.0 24.0 18.8 103.4 155 55 C K < 0 0 212 -4,-1.9 0, 0.0 -3,-0.2 0, 0.0 -0.273 360.0 360.0 -65.2 360.0 23.2 16.5 106.3 156 !* 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 0.0 157 1 D E 0 0 150 0, 0.0 2,-0.3 0, 0.0 53,-0.0 0.000 360.0 360.0 360.0 32.2 39.5 -6.8 82.4 158 2 D K - 0 0 76 52,-0.1 46,-0.1 53,-0.0 45,-0.0 -0.760 360.0-125.1-111.6 165.2 38.2 -4.3 85.0 159 3 D R - 0 0 121 -2,-0.3 2,-0.1 44,-0.2 48,-0.1 -0.829 43.5 -98.3-103.6 149.8 36.5 -4.5 88.4 160 4 D P + 0 0 113 0, 0.0 2,-0.3 0, 0.0 43,-0.1 -0.369 45.4 168.4 -75.4 149.6 33.2 -2.6 88.7 161 5 D R - 0 0 86 -2,-0.1 3,-0.1 42,-0.1 39,-0.0 -0.965 37.9 -94.0-149.2 162.7 32.8 0.8 90.2 162 6 D T - 0 0 15 -2,-0.3 2,-0.1 1,-0.1 -43,-0.0 -0.327 57.6 -82.0 -73.5 164.9 30.2 3.4 90.5 163 7 D A - 0 0 37 -40,-0.1 2,-0.3 -36,-0.1 -36,-0.2 -0.428 45.2-150.5 -70.2 138.9 30.2 6.3 88.0 164 8 D F - 0 0 13 -2,-0.1 2,-0.1 -3,-0.1 -38,-0.1 -0.841 13.7-118.1-110.0 148.6 32.6 9.2 88.7 165 9 D S > - 0 0 34 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.397 33.6-106.4 -74.8 166.2 32.2 12.8 87.7 166 10 D S H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.818 122.7 55.0 -63.4 -27.6 34.8 14.4 85.4 167 11 D E H > S+ 0 0 116 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 108.4 45.3 -71.7 -45.8 36.1 16.2 88.5 168 12 D Q H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.934 114.7 49.5 -63.7 -45.2 36.6 13.0 90.4 169 13 D L H X S+ 0 0 40 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.893 110.7 49.4 -60.7 -42.1 38.2 11.4 87.4 170 14 D A H X S+ 0 0 59 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.903 111.9 48.1 -65.9 -42.6 40.5 14.4 86.8 171 15 D R H X S+ 0 0 142 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.940 113.1 48.5 -60.7 -46.0 41.6 14.4 90.5 172 16 D L H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 -2,-0.2 0.929 109.8 50.8 -63.9 -43.7 42.2 10.7 90.4 173 17 D K H X S+ 0 0 116 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.893 110.7 50.2 -59.0 -41.7 44.2 10.9 87.2 174 18 D R H X S+ 0 0 128 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.931 113.1 45.8 -61.3 -45.8 46.4 13.6 88.7 175 19 D E H X S+ 0 0 29 -4,-2.7 4,-2.5 1,-0.2 3,-0.4 0.921 111.6 52.7 -64.7 -41.1 46.9 11.5 91.8 176 20 D F H < S+ 0 0 15 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.881 106.1 51.6 -63.6 -39.0 47.7 8.4 89.7 177 21 D N H < S+ 0 0 124 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.785 111.4 50.1 -71.4 -22.3 50.3 10.2 87.7 178 22 D E H < S- 0 0 132 -4,-1.2 2,-0.3 -3,-0.4 -2,-0.2 0.921 136.0 -7.2 -76.1 -47.9 52.0 11.3 91.0 179 23 D N < - 0 0 81 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.1 -0.902 56.2-154.5-156.4 118.3 52.0 7.8 92.5 180 24 D R S S+ 0 0 111 -2,-0.3 2,-0.4 -3,-0.2 29,-0.1 0.570 81.0 66.2 -75.0 -7.7 50.4 4.8 91.0 181 25 D Y S S- 0 0 150 -5,-0.1 2,-0.4 28,-0.0 25,-0.0 -0.929 72.0-147.5-118.4 138.4 50.0 3.1 94.4 182 26 D L - 0 0 32 -2,-0.4 2,-0.2 20,-0.1 -2,-0.0 -0.862 4.8-146.5-105.4 135.9 47.8 4.3 97.2 183 27 D T > - 0 0 83 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.556 33.3-108.3 -85.4 165.2 48.6 3.9 100.9 184 28 D E H > S+ 0 0 58 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.946 116.5 54.2 -57.9 -49.0 45.6 3.4 103.2 185 29 D R H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 111.8 41.5 -55.9 -46.7 46.0 6.9 104.7 186 30 D R H > S+ 0 0 37 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.862 109.2 57.8 -80.4 -22.6 45.9 8.7 101.4 187 31 D R H X S+ 0 0 65 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.917 110.0 48.6 -60.5 -40.9 43.1 6.4 100.1 188 32 D Q H X S+ 0 0 111 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.910 110.1 50.3 -64.0 -44.6 41.2 7.7 103.2 189 33 D Q H X S+ 0 0 117 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.939 112.2 46.1 -60.4 -49.1 42.2 11.3 102.4 190 34 D L H X S+ 0 0 6 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.922 107.6 57.5 -60.7 -45.8 41.0 11.1 98.8 191 35 D S H X>S+ 0 0 25 -4,-2.4 4,-1.4 1,-0.2 5,-1.2 0.897 110.4 45.4 -49.5 -43.4 37.8 9.4 99.9 192 36 D S H <5S+ 0 0 104 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.853 116.2 42.8 -73.0 -36.1 37.1 12.4 102.1 193 37 D E H <5S+ 0 0 142 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.802 121.7 39.8 -81.6 -27.5 38.0 15.1 99.5 194 38 D L H <5S- 0 0 11 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.635 101.0-123.2 -96.3 -17.9 36.2 13.4 96.6 195 39 D G T <5 + 0 0 25 -4,-1.4 -71,-2.7 -5,-0.3 -70,-0.4 0.809 69.1 130.4 76.3 30.7 33.0 12.1 98.3 196 40 D L B < -A 123 0A 3 -5,-1.2 -1,-0.3 -6,-0.3 -73,-0.2 -0.925 63.8-107.7-118.6 142.4 33.9 8.6 97.2 197 41 D N >> - 0 0 62 -75,-2.8 4,-1.7 -2,-0.4 3,-0.7 -0.354 29.5-120.3 -62.2 146.7 34.0 5.4 99.2 198 42 D E H 3> S+ 0 0 65 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.861 114.1 56.3 -57.6 -41.9 37.6 4.0 99.8 199 43 D A H 3> S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.856 104.9 53.8 -60.5 -33.7 36.8 0.8 98.0 200 44 D Q H <> S+ 0 0 12 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.917 109.2 46.6 -68.6 -42.6 35.8 2.9 94.9 201 45 D I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.936 112.4 52.4 -60.7 -47.2 39.2 4.7 94.9 202 46 D K H X S+ 0 0 83 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.931 109.9 47.2 -55.0 -49.9 40.9 1.4 95.4 203 47 D I H X S+ 0 0 18 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.918 109.7 53.2 -62.3 -43.5 39.1 -0.2 92.4 204 48 D W H X S+ 0 0 25 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.926 111.9 45.8 -58.2 -42.8 39.8 2.8 90.2 205 49 D F H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.917 112.5 49.5 -67.3 -43.0 43.6 2.5 91.0 206 50 D Q H X S+ 0 0 48 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.945 113.5 46.8 -60.9 -44.6 43.6 -1.2 90.5 207 51 D N H X S+ 0 0 34 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.878 111.3 51.8 -63.3 -38.9 41.9 -0.8 87.1 208 52 D A H X S+ 0 0 17 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.924 111.0 47.2 -66.4 -43.4 44.2 2.1 86.1 209 53 D R H < S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.894 113.2 48.8 -63.2 -40.6 47.3 -0.0 86.9 210 54 D A H < S+ 0 0 65 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.915 99.0 66.5 -66.6 -41.5 45.9 -3.0 85.0 211 55 D K H < 0 0 87 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.905 360.0 360.0 -47.1 -44.6 45.0 -0.8 82.0 212 56 D I < 0 0 137 -4,-1.3 -2,-0.2 -5,-0.1 -3,-0.1 0.906 360.0 360.0 -74.7 360.0 48.8 -0.5 81.6