==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING/PROTEIN TRANSPORT 09-APR-04 1VF6 . COMPND 2 MOLECULE: PALS1-ASSOCIATED TIGHT JUNCTION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.LI,A.LAVIE,B.MARGOLIS,D.KARNAK . 217 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 83.4 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 . 6 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 2 2 3 3 0 0 0 0 0 0 0 2 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 12 A V > 0 0 95 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 130.9 12.6 13.6 18.8 2 13 A L H > + 0 0 57 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.758 360.0 61.9 -73.1 -25.5 14.6 16.0 20.9 3 14 A Q H > S+ 0 0 162 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.881 102.6 50.3 -67.5 -39.3 11.5 18.1 21.5 4 15 A V H > S+ 0 0 16 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.964 111.2 47.4 -62.5 -53.0 9.8 15.2 23.2 5 16 A L H X S+ 0 0 3 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.906 113.1 50.2 -54.7 -45.1 12.8 14.6 25.5 6 17 A D H X S+ 0 0 73 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.914 111.2 47.2 -61.4 -45.7 12.9 18.3 26.3 7 18 A R H X S+ 0 0 64 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.910 111.3 51.1 -64.3 -42.7 9.2 18.5 27.1 8 19 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.920 107.3 53.3 -61.6 -42.5 9.3 15.5 29.4 9 20 A K H X S+ 0 0 54 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.917 111.3 46.7 -58.9 -41.7 12.3 16.8 31.3 10 21 A M H X S+ 0 0 111 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.892 109.6 52.1 -67.6 -42.0 10.4 20.1 32.0 11 22 A K H X S+ 0 0 54 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.832 110.0 50.2 -64.8 -31.5 7.2 18.3 33.0 12 23 A L H X>S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 4,-0.8 0.906 108.1 52.3 -71.6 -41.8 9.1 16.3 35.5 13 24 A Q H ><5S+ 0 0 81 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.941 107.0 54.1 -56.4 -49.4 10.8 19.4 36.9 14 25 A E H 3<5S+ 0 0 120 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.813 107.9 49.3 -55.8 -35.0 7.4 20.9 37.4 15 26 A K H 3<5S- 0 0 117 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.594 119.0-110.8 -81.9 -11.0 6.2 17.9 39.4 16 27 A G T <<5S+ 0 0 64 -3,-1.5 2,-0.7 -4,-0.8 -3,-0.2 0.643 77.7 130.5 89.9 16.3 9.3 18.1 41.6 17 28 A D < + 0 0 32 -5,-2.7 -1,-0.2 -6,-0.1 3,-0.2 -0.900 16.9 157.6-107.9 106.4 10.8 14.9 40.1 18 29 A T > + 0 0 82 -2,-0.7 3,-1.1 1,-0.1 4,-0.4 0.152 40.7 110.8-111.6 16.4 14.4 15.3 39.0 19 30 A S T 3 S+ 0 0 65 1,-0.2 4,-0.2 2,-0.1 -1,-0.1 0.704 85.1 40.3 -62.9 -20.0 15.3 11.6 39.2 20 31 A Q T 3> S+ 0 0 17 -3,-0.2 4,-2.7 2,-0.1 5,-0.3 0.343 80.3 104.9-113.1 6.4 15.6 11.5 35.4 21 32 A N H <> S+ 0 0 44 -3,-1.1 4,-1.9 1,-0.2 5,-0.1 0.944 90.7 36.4 -49.7 -56.8 17.4 14.9 34.6 22 33 A E H > S+ 0 0 143 -4,-0.4 4,-2.6 2,-0.2 5,-0.2 0.890 115.2 54.0 -65.3 -44.7 20.7 13.3 33.9 23 34 A K H > S+ 0 0 52 -4,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.939 111.8 45.0 -56.9 -50.2 19.4 10.1 32.3 24 35 A L H X S+ 0 0 7 -4,-2.7 4,-3.4 2,-0.2 -1,-0.2 0.901 111.9 51.5 -62.5 -42.9 17.4 12.1 29.8 25 36 A S H X S+ 0 0 41 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.2 0.915 112.0 47.0 -62.1 -41.3 20.2 14.5 29.0 26 37 A M H X S+ 0 0 92 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.912 113.0 48.3 -65.7 -42.8 22.6 11.6 28.4 27 38 A F H X S+ 0 0 5 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.961 112.5 51.2 -59.3 -48.1 19.9 10.0 26.2 28 39 A Y H X S+ 0 0 44 -4,-3.4 4,-1.4 1,-0.2 -2,-0.2 0.908 109.9 47.7 -53.9 -49.6 19.6 13.3 24.5 29 40 A E H X S+ 0 0 104 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.836 109.6 54.0 -65.2 -33.8 23.3 13.7 23.9 30 41 A T H >< S+ 0 0 22 -4,-2.2 3,-0.6 2,-0.2 6,-0.2 0.942 107.8 48.6 -66.0 -45.9 23.6 10.2 22.5 31 42 A L H 3< S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.807 116.0 44.6 -63.7 -28.8 20.8 10.8 19.9 32 43 A K H 3< S+ 0 0 99 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.585 90.2 120.7 -90.0 -12.9 22.5 14.0 18.9 33 44 A S S+ 0 0 97 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.943 103.9 49.9 -59.4 -45.8 27.9 12.4 15.6 35 46 A L H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 110.9 49.5 -57.6 -45.4 29.2 8.8 16.2 36 47 A F H > S+ 0 0 4 -6,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.893 111.6 48.9 -61.1 -42.1 25.7 7.6 16.9 37 48 A N H X S+ 0 0 71 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.847 110.4 50.2 -68.6 -34.7 24.3 9.2 13.8 38 49 A Q H X S+ 0 0 95 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.912 112.7 47.6 -68.5 -42.4 27.0 7.8 11.6 39 50 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.922 112.2 48.7 -64.7 -45.8 26.4 4.3 13.0 40 51 A L H X S+ 0 0 51 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.943 112.7 48.0 -57.2 -52.4 22.6 4.5 12.5 41 52 A T H X S+ 0 0 91 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.915 114.4 45.8 -56.1 -48.6 23.0 5.7 9.0 42 53 A L H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.871 110.1 52.5 -66.2 -40.3 25.5 3.0 8.1 43 54 A Q H X S+ 0 0 36 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.874 107.8 52.5 -64.9 -34.0 23.5 0.1 9.7 44 55 A Q H X S+ 0 0 67 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.869 109.2 50.8 -67.9 -36.7 20.4 1.1 7.7 45 56 A S H X S+ 0 0 43 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.926 112.0 45.3 -66.3 -43.8 22.5 1.0 4.5 46 57 A I H X S+ 0 0 12 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.898 110.9 55.4 -66.4 -37.2 23.8 -2.5 5.4 47 58 A K H X S+ 0 0 105 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.910 106.9 49.9 -60.5 -42.8 20.2 -3.5 6.3 48 59 A Q H X S+ 0 0 137 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.882 109.0 51.2 -65.0 -38.9 19.0 -2.4 2.9 49 60 A L H X S+ 0 0 30 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.894 109.8 50.4 -64.7 -40.5 21.7 -4.4 1.1 50 61 A K H X S+ 0 0 100 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.839 109.8 50.7 -66.1 -32.9 20.8 -7.5 3.1 51 62 A G H X S+ 0 0 39 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.853 107.6 52.8 -72.0 -35.3 17.1 -6.9 2.1 52 63 A Q H X S+ 0 0 101 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.904 110.6 48.8 -65.0 -38.9 18.2 -6.7 -1.5 53 64 A L H X S+ 0 0 16 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.982 109.2 50.2 -63.0 -58.6 20.0 -10.0 -1.1 54 65 A N H < S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.850 111.4 51.0 -48.0 -39.5 17.0 -11.7 0.5 55 66 A H H < S+ 0 0 155 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.990 105.6 53.7 -62.8 -58.9 14.9 -10.4 -2.4 56 67 A I H < S+ 0 0 37 -4,-2.6 2,-2.4 1,-0.2 -2,-0.2 0.844 91.7 79.0 -42.1 -44.1 17.3 -11.8 -5.0 57 68 A L < 0 0 45 -4,-2.2 -1,-0.2 1,-0.1 -4,-0.0 -0.460 360.0 360.0 -72.1 78.1 17.0 -15.2 -3.3 58 69 A E 0 0 180 -2,-2.4 -1,-0.1 0, 0.0 -3,-0.1 -0.288 360.0 360.0 58.5 360.0 13.6 -16.0 -5.0 59 !* 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 60 10 B L > 0 0 135 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -23.8 35.0 -12.5 -17.4 61 11 B Q H > + 0 0 123 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.929 360.0 53.7 -58.1 -48.9 38.7 -12.9 -16.5 62 12 B V H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 111.6 47.6 -54.8 -36.4 38.2 -15.5 -13.9 63 13 B L H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.868 112.8 47.6 -72.5 -36.7 36.2 -17.5 -16.6 64 14 B Q H X S+ 0 0 106 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.920 112.0 49.9 -68.2 -44.4 39.0 -17.0 -19.1 65 15 B V H X S+ 0 0 8 -4,-3.6 4,-2.1 1,-0.2 -2,-0.2 0.917 112.4 47.6 -58.9 -44.9 41.6 -18.0 -16.6 66 16 B L H X S+ 0 0 3 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.883 111.2 51.3 -65.2 -38.8 39.6 -21.1 -15.8 67 17 B D H X S+ 0 0 82 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.896 109.8 49.7 -64.4 -43.1 39.2 -21.9 -19.5 68 18 B R H X S+ 0 0 83 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.898 111.0 48.7 -64.6 -42.1 42.9 -21.6 -20.2 69 19 B L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.936 112.3 47.9 -64.6 -45.7 43.8 -23.9 -17.3 70 20 B K H X S+ 0 0 53 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.875 110.5 53.8 -61.8 -36.8 41.3 -26.5 -18.3 71 21 B M H X S+ 0 0 105 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.928 108.7 47.4 -62.7 -46.7 42.6 -26.3 -21.9 72 22 B K H X S+ 0 0 49 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.855 106.5 59.0 -65.0 -35.0 46.2 -26.9 -20.8 73 23 B L H <>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 3,-0.5 0.907 102.5 52.8 -61.1 -42.0 45.1 -29.9 -18.7 74 24 B Q H ><5S+ 0 0 76 -4,-1.6 3,-1.7 1,-0.2 -1,-0.2 0.910 105.7 54.3 -59.8 -43.1 43.6 -31.6 -21.8 75 25 B E H 3<5S+ 0 0 115 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.775 109.0 49.1 -62.1 -27.7 47.0 -31.2 -23.6 76 26 B K T 3<5S- 0 0 133 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.313 114.9-115.8 -94.6 7.2 48.8 -32.9 -20.7 77 27 B G T < 5S+ 0 0 62 -3,-1.7 2,-0.9 1,-0.2 -3,-0.2 0.699 72.5 135.2 68.5 17.5 46.3 -35.8 -20.7 78 28 B D < + 0 0 22 -5,-2.3 3,-0.3 -6,-0.2 -1,-0.2 -0.797 11.2 152.7-102.0 92.9 45.1 -34.9 -17.2 79 29 B T > + 0 0 85 -2,-0.9 3,-1.4 1,-0.2 4,-0.3 0.335 40.6 104.4-100.0 6.2 41.3 -35.1 -17.4 80 30 B S T 3 S+ 0 0 57 1,-0.3 4,-0.2 2,-0.1 3,-0.2 0.672 83.5 42.4 -62.0 -23.1 40.8 -36.0 -13.7 81 31 B Q T 3> S+ 0 0 19 -3,-0.3 4,-2.8 1,-0.1 5,-0.3 0.337 82.0 105.2-106.8 6.4 39.5 -32.5 -12.7 82 32 B N H <> S+ 0 0 37 -3,-1.4 4,-2.0 1,-0.2 -1,-0.1 0.854 81.5 46.3 -54.7 -41.9 37.3 -32.0 -15.7 83 33 B E H > S+ 0 0 153 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.955 115.4 45.2 -66.7 -52.0 34.0 -32.5 -13.8 84 34 B K H > S+ 0 0 78 -4,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.868 114.6 48.6 -61.2 -38.2 35.0 -30.3 -10.9 85 35 B L H X S+ 0 0 4 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.886 109.7 52.8 -69.8 -37.5 36.2 -27.6 -13.2 86 36 B S H X S+ 0 0 41 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.896 112.2 45.1 -63.4 -40.6 33.1 -27.7 -15.3 87 37 B M H X S+ 0 0 110 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.921 111.5 51.8 -69.6 -42.6 31.0 -27.3 -12.2 88 38 B F H X S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.909 111.6 48.9 -59.1 -41.1 33.2 -24.5 -10.9 89 39 B Y H X S+ 0 0 63 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.902 108.1 53.0 -63.9 -46.4 32.7 -22.8 -14.3 90 40 B E H X S+ 0 0 128 -4,-2.2 4,-1.1 2,-0.2 3,-0.4 0.922 110.7 47.6 -57.4 -45.1 28.9 -23.2 -14.3 91 41 B T H >< S+ 0 0 18 -4,-2.4 3,-0.9 1,-0.2 6,-0.2 0.954 111.0 49.6 -63.2 -49.3 28.7 -21.6 -10.9 92 42 B L H 3< S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.691 113.7 48.6 -63.3 -18.1 30.9 -18.6 -11.8 93 43 B K H 3< S+ 0 0 116 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.620 85.9 106.4 -97.1 -15.3 28.9 -18.1 -14.9 94 44 B S S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.907 102.8 54.9 -59.4 -40.1 23.5 -14.9 -13.0 96 46 B L H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.948 108.7 46.9 -59.1 -50.1 22.3 -15.8 -9.6 97 47 B F H > S+ 0 0 0 1,-0.2 4,-2.6 -6,-0.2 -1,-0.2 0.892 111.4 51.5 -59.3 -41.9 25.8 -16.5 -8.2 98 48 B N H X S+ 0 0 67 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.852 109.8 49.7 -65.8 -33.6 27.1 -13.2 -9.7 99 49 B Q H X S+ 0 0 90 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.946 113.0 46.5 -68.8 -47.2 24.3 -11.2 -8.1 100 50 B I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.889 113.0 49.4 -61.5 -41.7 24.9 -12.8 -4.7 101 51 B L H X S+ 0 0 40 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.937 110.4 50.0 -65.0 -47.0 28.7 -12.3 -5.0 102 52 B T H X S+ 0 0 90 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.927 114.4 43.9 -58.1 -45.8 28.3 -8.7 -6.0 103 53 B L H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.886 109.6 57.8 -66.6 -37.6 26.0 -8.0 -3.0 104 54 B Q H X S+ 0 0 23 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.904 109.4 44.5 -57.3 -43.7 28.3 -10.0 -0.8 105 55 B Q H X S+ 0 0 80 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.853 109.4 55.5 -71.4 -35.9 31.2 -7.6 -1.6 106 56 B S H X S+ 0 0 45 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.906 109.4 47.9 -62.7 -39.4 29.0 -4.5 -1.2 107 57 B I H X S+ 0 0 10 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.924 110.8 49.7 -67.6 -44.2 28.1 -5.7 2.3 108 58 B K H X S+ 0 0 79 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.939 110.1 53.3 -59.5 -45.2 31.8 -6.4 3.1 109 59 B Q H X S+ 0 0 119 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.940 112.2 42.3 -55.1 -51.2 32.6 -2.9 1.8 110 60 B L H X S+ 0 0 39 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.886 113.4 52.4 -67.2 -36.9 30.1 -1.2 4.0 111 61 B K H X S+ 0 0 93 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.903 108.2 51.8 -63.4 -39.3 31.0 -3.3 7.0 112 62 B G H X S+ 0 0 20 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.864 108.2 52.3 -63.8 -34.2 34.6 -2.3 6.4 113 63 B Q H X S+ 0 0 97 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.900 109.2 48.9 -67.2 -40.9 33.4 1.3 6.4 114 64 B L H X S+ 0 0 21 -4,-2.3 4,-1.8 1,-0.2 3,-0.4 0.933 107.1 55.7 -63.8 -45.9 31.6 0.7 9.7 115 65 B N H < S+ 0 0 106 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.897 107.3 49.9 -52.7 -45.0 34.8 -0.9 11.2 116 66 B H H < S+ 0 0 162 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.835 107.8 54.0 -64.4 -33.3 36.8 2.3 10.3 117 67 B I H < S+ 0 0 36 -4,-1.5 2,-2.8 -3,-0.4 -1,-0.2 0.814 87.9 81.0 -71.1 -30.6 34.1 4.4 12.0 118 68 B L < 0 0 46 -4,-1.8 -1,-0.2 1,-0.3 -4,-0.0 -0.427 360.0 360.0 -78.0 70.8 34.4 2.5 15.2 119 69 B E 0 0 171 -2,-2.8 -1,-0.3 0, 0.0 -2,-0.2 0.977 360.0 360.0 71.9 360.0 37.5 4.5 16.2 120 !* 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 0.0 121 120 C Q 0 0 212 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.4 20.0 -8.2 28.3 122 121 C D > - 0 0 30 1,-0.1 4,-2.6 2,-0.0 3,-0.3 -0.848 360.0-146.1 -95.2 118.9 22.1 -5.1 27.7 123 122 C P H > S+ 0 0 98 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.777 98.9 52.6 -54.7 -30.1 22.4 -3.2 31.0 124 123 C D H > S+ 0 0 78 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.898 110.2 46.2 -74.2 -42.1 22.4 0.1 29.2 125 124 C V H > S+ 0 0 3 -3,-0.3 4,-3.0 1,-0.2 5,-0.2 0.962 116.0 46.8 -62.3 -49.7 19.2 -0.7 27.2 126 125 C E H X S+ 0 0 68 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.847 109.6 52.7 -62.4 -37.0 17.5 -1.9 30.5 127 126 C D H X S+ 0 0 76 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.940 114.4 42.6 -65.3 -44.6 18.6 1.1 32.5 128 127 C L H X S+ 0 0 8 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.891 113.4 51.9 -66.8 -40.9 17.2 3.5 29.8 129 128 C F H X S+ 0 0 46 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.939 110.1 49.6 -62.1 -45.5 14.0 1.4 29.5 130 129 C S H X S+ 0 0 69 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.895 108.3 52.9 -60.0 -42.4 13.5 1.5 33.2 131 130 C S H X S+ 0 0 9 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.926 110.2 48.4 -59.8 -44.1 13.9 5.2 33.3 132 131 C L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.895 109.2 51.9 -64.0 -40.0 11.3 5.6 30.6 133 132 C K H X S+ 0 0 69 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.858 106.8 54.7 -65.5 -35.0 8.8 3.3 32.5 134 133 C H H < S+ 0 0 59 -4,-2.2 3,-0.2 2,-0.2 -1,-0.2 0.932 108.8 47.8 -62.3 -44.1 9.3 5.4 35.6 135 134 C I H >X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 3,-1.7 0.923 109.2 53.5 -61.8 -44.2 8.3 8.5 33.6 136 135 C Q H 3< S+ 0 0 39 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.798 110.4 47.8 -60.6 -30.3 5.3 6.7 32.2 137 136 C H T 3< S+ 0 0 137 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.329 118.7 40.8 -93.6 6.5 4.2 5.8 35.7 138 137 C T T <4 S+ 0 0 31 -3,-1.7 2,-0.6 1,-0.3 -2,-0.2 0.725 102.1 61.2-117.0 -56.6 4.7 9.4 37.0 139 138 C L < + 0 0 1 -4,-2.6 -1,-0.3 1,-0.1 -127,-0.1 -0.679 56.3 176.6 -79.9 120.2 3.5 11.9 34.4 140 139 C V + 0 0 112 -2,-0.6 -1,-0.1 -3,-0.1 -4,-0.0 0.491 38.0 112.0-103.2 -5.0 -0.3 11.3 33.8 141 140 C D S > S- 0 0 46 1,-0.1 4,-1.9 4,-0.0 5,-0.2 -0.346 76.6-112.1 -69.2 154.5 -1.2 14.1 31.3 142 141 C S H > S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.858 111.5 48.6 -54.7 -47.4 -2.2 13.0 27.8 143 142 C Q H > S+ 0 0 80 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.915 110.8 50.5 -62.5 -44.7 0.8 14.4 25.8 144 143 C S H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.904 109.1 52.7 -59.9 -40.8 3.4 12.9 28.2 145 144 C Q H X S+ 0 0 67 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.882 113.5 42.7 -63.8 -37.8 1.7 9.5 27.9 146 145 C E H X S+ 0 0 131 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.905 114.9 50.0 -74.3 -42.8 1.9 9.7 24.1 147 146 C D H X S+ 0 0 16 -4,-3.2 4,-2.3 1,-0.2 3,-0.2 0.963 113.2 45.1 -58.8 -54.0 5.5 11.1 24.1 148 147 C I H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.851 108.8 56.9 -60.8 -36.0 6.8 8.4 26.5 149 148 C S H X S+ 0 0 49 -4,-1.4 4,-1.9 -5,-0.3 -1,-0.2 0.922 108.1 48.4 -62.2 -40.7 5.0 5.7 24.5 150 149 C L H X S+ 0 0 83 -4,-1.9 4,-2.5 -3,-0.2 -2,-0.2 0.932 111.2 49.5 -64.5 -45.4 6.9 6.8 21.4 151 150 C L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.860 108.9 53.0 -63.2 -35.0 10.2 6.8 23.3 152 151 C L H X S+ 0 0 17 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.901 109.0 49.7 -66.9 -38.0 9.5 3.3 24.6 153 152 C Q H >X S+ 0 0 134 -4,-1.9 4,-1.5 2,-0.2 3,-0.5 0.955 110.7 50.3 -62.8 -49.4 8.8 2.1 21.0 154 153 C L H >< S+ 0 0 50 -4,-2.5 3,-0.9 1,-0.3 6,-0.2 0.940 111.7 46.6 -51.9 -52.9 12.1 3.7 19.9 155 154 C V H 3< S+ 0 0 0 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.735 112.0 52.5 -64.6 -21.6 14.1 2.1 22.7 156 155 C Q H << S+ 0 0 116 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.682 85.8 107.0 -85.7 -21.9 12.3 -1.2 21.9 157 156 C N S+ 0 0 184 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.841 100.7 53.2 -62.5 -35.9 16.1 -3.4 17.1 159 158 C D H > S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 110.3 47.1 -66.7 -43.8 17.8 -0.9 14.8 160 159 C F H > S+ 0 0 6 -6,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.962 113.1 49.8 -60.3 -50.8 18.0 1.7 17.6 161 160 C Q H X S+ 0 0 41 -4,-2.4 4,-2.7 -7,-0.2 5,-0.3 0.855 108.0 52.2 -57.0 -40.6 19.3 -1.0 20.0 162 161 C N H X S+ 0 0 64 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.938 114.8 41.8 -63.4 -44.9 22.0 -2.2 17.6 163 162 C A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.901 115.0 52.6 -66.9 -40.7 23.3 1.3 17.1 164 163 C F H X S+ 0 0 14 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.929 110.5 45.2 -60.1 -51.8 23.0 2.1 20.8 165 164 C K H X S+ 0 0 67 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.922 115.4 47.2 -59.8 -47.7 24.9 -1.0 22.0 166 165 C I H X S+ 0 0 46 -4,-1.9 4,-0.8 -5,-0.3 -1,-0.2 0.904 111.4 51.2 -61.5 -44.1 27.7 -0.4 19.4 167 166 C H H >X S+ 0 0 14 -4,-2.5 3,-0.9 1,-0.2 4,-0.5 0.950 113.9 43.9 -58.2 -51.6 28.0 3.3 20.3 168 167 C N H >< S+ 0 0 41 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.860 108.1 57.5 -63.4 -38.5 28.3 2.5 24.0 169 168 C A H 3< S+ 0 0 89 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.672 110.2 46.8 -67.2 -15.2 30.7 -0.3 23.5 170 169 C V H << 0 0 37 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.477 360.0 360.0-104.9 -5.2 33.0 2.1 21.7 171 170 C T << 0 0 118 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.1 -0.365 360.0 360.0-125.4 360.0 32.8 5.0 24.2 172 !* 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 0.0 173 123 D D > 0 0 84 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 179.0 32.0 -27.5 -1.5 174 124 D V H > + 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.870 360.0 59.3 -59.6 -38.3 34.9 -25.0 -1.0 175 125 D E H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 105.3 47.4 -58.1 -46.4 37.1 -27.8 0.4 176 126 D D H > S+ 0 0 75 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.901 110.2 52.7 -63.7 -43.1 36.8 -29.8 -2.8 177 127 D L H X S+ 0 0 15 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.927 108.1 51.1 -58.3 -47.8 37.5 -26.8 -5.0 178 128 D F H X S+ 0 0 70 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.924 110.8 47.9 -56.4 -47.9 40.7 -26.0 -3.1 179 129 D S H X S+ 0 0 74 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.865 111.4 51.5 -62.1 -37.5 42.0 -29.6 -3.4 180 130 D S H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.951 111.2 46.3 -65.0 -48.6 41.2 -29.5 -7.1 181 131 D L H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.852 110.6 54.0 -63.2 -33.8 43.1 -26.3 -7.6 182 132 D K H X S+ 0 0 60 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.904 107.7 50.9 -66.2 -40.8 46.0 -27.7 -5.6 183 133 D H H >X S+ 0 0 65 -4,-2.1 3,-0.7 1,-0.2 4,-0.6 0.938 110.8 47.4 -59.8 -49.9 46.1 -30.7 -7.9 184 134 D I H >X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-1.2 0.890 105.1 61.1 -59.8 -38.9 46.2 -28.5 -10.9 185 135 D Q H 3< S+ 0 0 37 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.823 109.1 42.2 -59.2 -30.7 49.0 -26.4 -9.3 186 136 D H H << S+ 0 0 138 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.493 115.0 52.1 -94.4 -4.0 51.2 -29.5 -9.2 187 137 D T H << S+ 0 0 46 -3,-1.2 2,-0.5 -4,-0.6 -2,-0.2 0.834 102.2 55.2 -98.4 -41.3 50.2 -30.6 -12.7 188 138 D L < + 0 0 2 -4,-2.5 -1,-0.2 1,-0.1 -115,-0.0 -0.846 53.8 176.2-100.4 124.7 50.9 -27.5 -14.8 189 139 D V + 0 0 130 -2,-0.5 -1,-0.1 -3,-0.1 -4,-0.0 0.554 40.6 113.5-103.1 -10.3 54.3 -25.9 -14.7 190 140 D D S > S- 0 0 55 1,-0.1 4,-2.1 4,-0.0 3,-0.4 -0.375 73.2-123.8 -63.5 141.4 54.2 -23.1 -17.3 191 141 D S H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.854 109.8 59.6 -55.7 -36.2 54.4 -19.7 -15.6 192 142 D Q H > S+ 0 0 75 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.931 108.6 44.5 -57.9 -46.3 51.1 -18.6 -17.1 193 143 D S H > S+ 0 0 0 -3,-0.4 4,-3.3 2,-0.2 5,-0.2 0.892 109.8 53.9 -66.8 -41.3 49.3 -21.5 -15.4 194 144 D Q H X S+ 0 0 59 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.878 112.4 45.6 -62.0 -36.6 51.1 -21.0 -12.0 195 145 D E H X S+ 0 0 127 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.946 113.1 49.7 -70.0 -47.3 49.9 -17.3 -12.1 196 146 D D H X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.922 110.6 50.1 -56.3 -46.3 46.4 -18.3 -13.1 197 147 D I H X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.866 107.1 54.6 -61.0 -37.9 46.2 -20.9 -10.3 198 148 D S H X S+ 0 0 52 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.925 106.9 51.5 -62.1 -44.5 47.4 -18.4 -7.8 199 149 D L H X S+ 0 0 70 -4,-2.1 4,-1.9 1,-0.2 3,-0.2 0.957 113.2 43.9 -56.7 -53.3 44.5 -16.0 -8.8 200 150 D L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.890 110.0 54.9 -61.0 -42.7 41.9 -18.8 -8.4 201 151 D L H X S+ 0 0 15 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.866 107.7 51.3 -60.3 -34.5 43.3 -20.0 -5.1 202 152 D Q H X S+ 0 0 135 -4,-1.9 4,-1.8 -3,-0.2 3,-0.4 0.916 109.3 50.4 -66.9 -43.3 43.0 -16.5 -3.8 203 153 D L H < S+ 0 0 32 -4,-1.9 7,-0.2 1,-0.2 6,-0.2 0.933 107.0 53.3 -59.1 -48.8 39.4 -16.3 -4.9 204 154 D V H < S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.745 112.1 45.4 -60.9 -25.1 38.5 -19.6 -3.2 205 155 D Q H < S+ 0 0 111 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.777 86.1 108.9 -89.5 -27.9 39.9 -18.4 0.1 206 156 D N X - 0 0 72 -4,-1.8 4,-2.5 -3,-0.2 5,-0.2 -0.241 68.5-138.9 -52.0 125.2 38.2 -14.9 -0.1 207 157 D R H > S+ 0 0 182 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.852 101.7 56.2 -56.2 -40.4 35.4 -14.7 2.5 208 158 D D H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.965 110.5 45.2 -57.1 -51.6 33.1 -13.0 0.1 209 159 D F H > S+ 0 0 1 -6,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.938 111.9 50.7 -57.7 -52.8 33.5 -15.8 -2.4 210 160 D Q H X S+ 0 0 54 -4,-2.5 4,-2.8 -7,-0.2 5,-0.2 0.915 112.8 45.3 -54.6 -47.8 33.0 -18.6 0.1 211 161 D N H X S+ 0 0 89 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.958 115.6 47.0 -61.9 -48.8 29.8 -17.1 1.6 212 162 D A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.893 112.9 50.6 -57.9 -41.9 28.4 -16.4 -1.9 213 163 D F H X S+ 0 0 12 -4,-3.3 4,-2.7 -5,-0.2 5,-0.2 0.948 112.4 45.3 -62.0 -51.0 29.4 -20.0 -3.0 214 164 D K H X S+ 0 0 93 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.929 114.0 49.0 -59.6 -46.9 27.7 -21.6 -0.0 215 165 D I H X S+ 0 0 46 -4,-3.0 4,-2.9 -5,-0.2 5,-0.2 0.919 112.1 49.1 -59.6 -44.5 24.6 -19.5 -0.4 216 166 D H H X S+ 0 0 14 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.913 112.1 47.0 -61.9 -45.8 24.4 -20.3 -4.1 217 167 D N H < S+ 0 0 63 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.905 113.7 50.2 -63.0 -40.5 24.8 -24.0 -3.5 218 168 D A H < S+ 0 0 82 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.959 113.4 42.8 -61.3 -54.2 22.2 -23.9 -0.8 219 169 D V H < 0 0 58 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.777 360.0 360.0 -64.1 -28.7 19.6 -22.0 -2.9 220 170 D T < 0 0 118 -4,-1.9 0, 0.0 -5,-0.2 0, 0.0 -0.539 360.0 360.0 -96.4 360.0 20.4 -24.2 -5.9