==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 13-JAN-12 4DB6 . COMPND 2 MOLECULE: ARMADILLO REPEAT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR C.MADHURANTAKAM,G.VARADAMSETTY,M.G.GRUTTER,A.PLUCKTHUN,P.R.E . 197 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 79.7 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 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 3 2 4 0 0 0 0 3 2 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 . 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 E > 0 0 97 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 8.2 -15.9 -53.1 9.2 2 13 A L H > + 0 0 32 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.928 360.0 52.2 -58.8 -49.7 -15.6 -49.3 9.6 3 14 A P H > S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.879 109.4 51.8 -57.1 -36.0 -18.9 -48.8 11.5 4 15 A Q H > S+ 0 0 127 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.892 109.2 49.7 -66.0 -40.4 -17.8 -51.5 13.9 5 16 A M H X S+ 0 0 28 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.940 111.0 49.6 -59.9 -47.3 -14.5 -49.7 14.5 6 17 A V H >< S+ 0 0 19 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.893 108.5 52.8 -60.8 -39.5 -16.3 -46.4 15.0 7 18 A Q H >< S+ 0 0 125 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.865 101.9 61.0 -62.3 -34.4 -18.6 -48.1 17.5 8 19 A Q H >< S+ 0 0 48 -4,-1.7 3,-1.9 1,-0.3 -1,-0.2 0.683 82.2 79.1 -69.0 -16.1 -15.6 -49.4 19.4 9 20 A L T << S+ 0 0 8 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.1 0.449 94.6 51.9 -70.5 3.4 -14.4 -45.8 20.1 10 21 A N T < S+ 0 0 98 -3,-1.4 -1,-0.3 3,-0.0 -2,-0.2 0.405 81.7 136.8-112.0 -6.6 -17.0 -46.0 22.8 11 22 A S < - 0 0 14 -3,-1.9 6,-0.1 1,-0.2 -3,-0.1 -0.082 54.6-144.9 -46.2 132.6 -15.7 -49.2 24.3 12 23 A P S S+ 0 0 136 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.723 88.4 85.5 -66.6 -20.7 -15.5 -49.4 28.2 13 24 A D > - 0 0 61 1,-0.2 4,-2.4 -5,-0.1 3,-0.2 -0.752 69.6-160.3 -86.1 108.7 -12.4 -51.4 27.4 14 25 A Q H > S+ 0 0 92 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.839 92.1 57.0 -56.9 -35.8 -9.5 -49.0 26.9 15 26 A Q H > S+ 0 0 156 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.922 108.9 44.5 -62.4 -45.5 -7.7 -51.8 25.1 16 27 A E H > S+ 0 0 93 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.887 113.0 51.7 -65.3 -40.6 -10.5 -52.2 22.5 17 28 A L H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.938 111.7 46.0 -62.7 -46.6 -10.8 -48.5 22.1 18 29 A Q H X S+ 0 0 68 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.828 110.7 53.4 -67.5 -32.8 -7.1 -48.0 21.4 19 30 A S H X S+ 0 0 62 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.953 111.2 45.3 -65.2 -50.2 -7.0 -50.9 19.0 20 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.875 112.1 53.2 -58.6 -42.0 -9.9 -49.5 16.9 21 32 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.930 106.8 51.1 -61.9 -46.5 -8.3 -46.1 17.0 22 33 A R H X S+ 0 0 121 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.893 111.8 47.9 -59.1 -40.2 -5.0 -47.4 15.7 23 34 A K H X S+ 0 0 79 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.904 109.9 50.5 -69.5 -42.2 -6.7 -49.1 12.8 24 35 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.909 109.5 53.0 -61.4 -40.5 -8.8 -46.1 11.9 25 36 A S H X S+ 0 0 2 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.905 107.7 51.2 -59.4 -42.4 -5.6 -44.0 11.9 26 37 A Q H >< S+ 0 0 106 -4,-1.7 3,-1.1 1,-0.2 4,-0.3 0.948 111.8 46.3 -60.7 -49.5 -4.0 -46.5 9.5 27 38 A I H >< S+ 0 0 39 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.909 108.3 56.3 -60.5 -43.0 -6.9 -46.3 7.1 28 39 A A H 3< S+ 0 0 0 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.650 95.4 67.3 -65.2 -14.5 -7.0 -42.5 7.3 29 40 A S T << S+ 0 0 58 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.545 89.8 82.8 -85.8 -3.9 -3.3 -42.4 6.2 30 41 A G S < S- 0 0 33 -3,-1.8 -3,-0.0 -4,-0.3 5,-0.0 0.187 94.3 -55.2 -76.2-157.8 -4.3 -43.7 2.8 31 42 A G > - 0 0 44 1,-0.1 4,-2.1 3,-0.0 3,-0.4 -0.015 63.9 -82.5 -76.6-175.5 -5.6 -41.8 -0.2 32 43 A N H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.795 127.5 54.5 -63.6 -30.2 -8.6 -39.5 -0.4 33 44 A E H > S+ 0 0 164 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.863 107.9 50.3 -71.1 -34.8 -11.1 -42.3 -0.9 34 45 A Q H > S+ 0 0 96 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.915 111.3 49.0 -65.7 -44.5 -9.8 -44.0 2.3 35 46 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.938 110.0 51.2 -59.4 -46.2 -10.2 -40.7 4.2 36 47 A Q H X S+ 0 0 55 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.853 105.7 56.1 -62.7 -33.8 -13.7 -40.3 2.9 37 48 A A H X S+ 0 0 36 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.919 108.3 47.4 -62.1 -44.2 -14.6 -43.8 4.0 38 49 A V H <>S+ 0 0 1 -4,-1.8 5,-1.8 2,-0.2 -2,-0.2 0.914 114.3 46.7 -64.4 -43.8 -13.6 -43.0 7.6 39 50 A I H ><5S+ 0 0 28 -4,-2.4 3,-1.7 1,-0.2 5,-0.2 0.919 110.6 52.0 -63.7 -45.6 -15.6 -39.7 7.5 40 51 A D H 3<5S+ 0 0 118 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.780 102.0 61.4 -60.9 -28.2 -18.6 -41.5 6.0 41 52 A A T 3<5S- 0 0 27 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.517 119.4-111.9 -77.9 -5.0 -18.4 -44.1 8.8 42 53 A G T <>5S+ 0 0 34 -3,-1.7 4,-0.7 -4,-0.2 -3,-0.2 0.709 70.6 141.6 84.1 23.7 -19.0 -41.2 11.3 43 54 A A H >< + 0 0 0 -5,-1.8 4,-2.6 1,-0.2 5,-0.2 0.779 53.4 74.1 -65.9 -30.1 -15.5 -41.3 12.9 44 55 A L H > S+ 0 0 9 -5,-0.2 4,-2.6 1,-0.2 5,-0.2 0.880 93.2 47.2 -62.0 -48.0 -15.1 -37.5 13.2 45 56 A P H > S+ 0 0 87 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.922 116.0 48.2 -59.3 -40.2 -17.4 -36.7 16.1 46 57 A A H X S+ 0 0 15 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.896 111.5 49.3 -62.6 -44.3 -15.9 -39.7 18.0 47 58 A L H X S+ 0 0 0 -4,-2.6 4,-0.6 2,-0.2 -1,-0.2 0.906 110.2 50.7 -63.8 -41.4 -12.3 -38.5 17.3 48 59 A V H >< S+ 0 0 25 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.917 108.6 52.3 -63.4 -42.2 -13.1 -35.0 18.4 49 60 A Q H >< S+ 0 0 151 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.883 101.8 60.8 -58.5 -38.3 -14.5 -36.3 21.7 50 61 A L H >< S+ 0 0 20 -4,-1.9 3,-1.8 1,-0.3 -1,-0.3 0.654 83.4 78.9 -68.8 -13.6 -11.3 -38.3 22.2 51 62 A L T << S+ 0 0 11 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.591 88.3 59.8 -66.9 -8.2 -9.4 -35.1 22.3 52 63 A S T < S+ 0 0 105 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.410 78.9 124.1 -96.8 0.9 -10.7 -34.8 25.9 53 64 A S < - 0 0 22 -3,-1.8 6,-0.1 1,-0.1 -3,-0.0 -0.334 54.5-153.2 -64.2 136.1 -9.0 -38.0 27.0 54 65 A P S S+ 0 0 128 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.602 76.8 94.9 -82.6 -8.9 -6.7 -37.8 29.9 55 66 A N > - 0 0 43 1,-0.2 4,-2.5 2,-0.0 3,-0.4 -0.734 66.5-159.3 -83.0 108.9 -4.9 -40.9 28.5 56 67 A E H > S+ 0 0 93 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.761 88.0 56.6 -68.7 -23.9 -2.1 -39.3 26.5 57 68 A Q H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.888 110.0 45.1 -69.2 -42.0 -1.6 -42.4 24.2 58 69 A I H > S+ 0 0 2 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.920 113.5 51.3 -65.2 -45.9 -5.3 -42.2 23.2 59 70 A L H X S+ 0 0 13 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.925 108.6 50.8 -54.8 -48.1 -4.9 -38.5 22.7 60 71 A Q H X S+ 0 0 43 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.905 112.2 45.8 -61.4 -41.4 -1.8 -38.9 20.5 61 72 A E H X S+ 0 0 44 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.893 110.2 53.3 -73.2 -35.8 -3.5 -41.5 18.2 62 73 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.900 110.6 48.5 -61.5 -39.8 -6.7 -39.4 17.9 63 74 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.877 108.5 53.9 -67.0 -38.8 -4.5 -36.5 16.8 64 75 A W H X S+ 0 0 102 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.926 110.6 46.6 -60.6 -44.6 -2.7 -38.7 14.3 65 76 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.930 113.7 47.6 -65.1 -43.3 -6.0 -39.7 12.8 66 77 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.912 110.0 51.7 -66.1 -41.8 -7.3 -36.2 12.6 67 78 A S H < S+ 0 0 4 -4,-2.8 4,-0.5 2,-0.2 -1,-0.2 0.891 110.8 50.2 -60.6 -40.1 -4.1 -34.8 11.1 68 79 A N H >< S+ 0 0 28 -4,-2.0 3,-1.1 -5,-0.2 -2,-0.2 0.930 110.7 47.6 -61.7 -48.5 -4.3 -37.6 8.4 69 80 A I H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.904 109.6 54.3 -59.8 -39.1 -7.9 -36.7 7.7 70 81 A A T 3< S+ 0 0 1 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.581 95.0 69.2 -72.8 -10.9 -7.0 -33.0 7.5 71 82 A S T < S+ 0 0 67 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.418 90.7 81.4 -86.6 1.3 -4.3 -33.9 4.9 72 83 A G S < S- 0 0 13 -3,-1.6 -3,-0.1 1,-0.2 5,-0.0 0.152 93.9 -42.3 -85.4-154.2 -7.1 -34.7 2.4 73 84 A G >> - 0 0 24 1,-0.1 4,-2.6 -41,-0.1 3,-1.0 -0.161 60.0 -98.2 -73.0 167.8 -9.2 -32.5 0.2 74 85 A N H 3> S+ 0 0 84 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.802 125.2 54.4 -57.6 -28.7 -10.8 -29.2 1.1 75 86 A E H 3> S+ 0 0 167 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.808 109.3 47.6 -72.9 -29.4 -14.1 -31.0 1.7 76 87 A Q H <> S+ 0 0 10 -3,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.871 111.2 50.1 -80.1 -38.1 -12.4 -33.3 4.1 77 88 A I H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.911 109.0 53.8 -58.3 -43.1 -10.7 -30.4 5.8 78 89 A Q H X S+ 0 0 66 -4,-2.1 4,-2.8 -5,-0.3 -2,-0.2 0.878 103.2 56.2 -63.3 -35.7 -14.1 -28.8 6.0 79 90 A A H X S+ 0 0 20 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.892 106.3 50.1 -61.8 -41.6 -15.5 -32.0 7.7 80 91 A V H <>S+ 0 0 1 -4,-1.5 5,-1.6 2,-0.2 4,-0.2 0.913 113.1 46.2 -61.9 -46.0 -12.9 -31.7 10.5 81 92 A I H ><5S+ 0 0 27 -4,-2.1 3,-1.7 1,-0.2 5,-0.3 0.929 111.4 51.1 -61.0 -46.1 -13.8 -28.0 11.0 82 93 A D H 3<5S+ 0 0 120 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.740 101.6 62.1 -66.8 -24.1 -17.5 -28.8 11.0 83 94 A A T 3<5S- 0 0 31 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.512 117.7-113.9 -77.6 -6.0 -17.0 -31.5 13.6 84 95 A G T < 5S+ 0 0 40 -3,-1.7 4,-0.5 -4,-0.2 -3,-0.2 0.759 70.0 140.4 82.5 26.5 -15.7 -28.8 16.0 85 96 A A >< + 0 0 0 -5,-1.6 4,-2.3 1,-0.2 5,-0.2 0.765 49.1 81.4 -69.2 -26.3 -12.1 -29.9 16.2 86 97 A L H > S+ 0 0 8 -5,-0.3 4,-2.6 -6,-0.2 5,-0.3 0.857 86.2 48.5 -60.8 -47.5 -10.5 -26.4 16.2 87 98 A P H > S+ 0 0 85 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.948 115.5 45.8 -58.3 -47.4 -10.8 -25.1 19.8 88 99 A A H > S+ 0 0 25 -4,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.896 111.8 52.6 -60.9 -41.6 -9.4 -28.4 21.2 89 100 A L H X S+ 0 0 1 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.930 111.5 45.4 -59.0 -45.0 -6.6 -28.4 18.6 90 101 A V H >< S+ 0 0 17 -4,-2.6 3,-1.0 1,-0.2 4,-0.3 0.905 110.1 54.9 -67.0 -38.6 -5.6 -24.8 19.5 91 102 A Q H >< S+ 0 0 143 -4,-2.6 3,-1.7 -5,-0.3 -1,-0.2 0.884 102.1 58.0 -59.4 -39.0 -5.8 -25.6 23.2 92 103 A L H >< S+ 0 0 17 -4,-2.1 3,-1.9 1,-0.3 -1,-0.3 0.682 84.5 79.7 -70.3 -16.9 -3.4 -28.5 22.7 93 104 A L T << S+ 0 0 5 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.695 95.4 49.9 -59.4 -16.2 -0.8 -26.1 21.3 94 105 A S T < S+ 0 0 94 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.358 81.0 131.5-103.7 5.3 -0.1 -25.3 25.0 95 106 A S < - 0 0 23 -3,-1.9 6,-0.1 1,-0.2 -3,-0.0 -0.307 58.2-140.6 -58.4 134.5 0.2 -29.0 26.2 96 107 A P S S+ 0 0 138 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 0.713 88.9 87.6 -65.0 -21.0 3.3 -29.6 28.3 97 108 A N > - 0 0 33 1,-0.2 4,-2.4 -5,-0.1 3,-0.3 -0.734 69.1-162.7 -79.3 107.8 3.5 -32.9 26.4 98 109 A E H > S+ 0 0 91 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.716 85.5 57.4 -71.8 -19.1 5.6 -31.8 23.4 99 110 A Q H > S+ 0 0 93 2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.887 109.7 44.4 -74.0 -40.6 4.6 -34.8 21.3 100 111 A I H > S+ 0 0 1 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.920 112.7 53.5 -66.1 -44.5 0.9 -34.0 21.7 101 112 A L H X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.937 108.6 48.4 -53.2 -51.1 1.8 -30.3 21.0 102 113 A Q H X S+ 0 0 23 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.877 111.0 50.5 -61.6 -38.8 3.6 -31.3 17.7 103 114 A E H X S+ 0 0 14 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.899 109.9 49.3 -68.4 -39.7 0.7 -33.5 16.6 104 115 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.914 110.0 52.9 -63.1 -42.1 -1.9 -30.7 17.2 105 116 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.914 106.8 52.3 -56.1 -47.2 0.4 -28.4 15.2 106 117 A W H X S+ 0 0 69 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.923 110.6 47.7 -54.0 -49.4 0.5 -30.9 12.3 107 118 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.940 113.2 46.7 -61.6 -48.1 -3.3 -31.0 12.2 108 119 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.885 110.6 53.0 -61.8 -40.6 -3.7 -27.2 12.3 109 120 A S H < S+ 0 0 8 -4,-2.7 4,-0.3 2,-0.2 -1,-0.2 0.916 109.3 49.9 -60.0 -42.4 -1.0 -26.8 9.6 110 121 A N H >< S+ 0 0 50 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.898 111.6 47.7 -64.4 -40.3 -3.0 -29.2 7.4 111 122 A I H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.934 108.3 54.8 -64.5 -42.4 -6.2 -27.3 8.0 112 123 A A T 3< S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.487 94.6 70.5 -72.6 -3.2 -4.5 -24.0 7.3 113 124 A S T < S+ 0 0 72 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.448 90.1 82.1 -87.4 -2.2 -3.4 -25.5 3.9 114 125 A G S < S- 0 0 13 -3,-2.0 -3,-0.1 1,-0.2 5,-0.0 0.178 94.3 -44.0 -83.2-157.3 -7.0 -25.3 2.8 115 126 A G >> - 0 0 25 1,-0.1 4,-2.4 -41,-0.1 3,-0.5 -0.112 60.6 -97.3 -67.9 169.9 -9.0 -22.4 1.4 116 127 A N H 3> S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.832 125.7 51.7 -58.3 -36.2 -9.1 -18.8 2.7 117 128 A E H 3> S+ 0 0 176 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.808 108.8 50.5 -71.2 -28.5 -12.2 -19.5 4.7 118 129 A Q H <> S+ 0 0 11 -3,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.880 110.2 50.0 -75.4 -37.0 -10.6 -22.6 6.3 119 130 A I H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.915 108.9 52.7 -61.4 -43.3 -7.6 -20.5 7.2 120 131 A Q H X S+ 0 0 27 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.867 103.5 56.9 -63.9 -35.6 -10.0 -17.9 8.7 121 132 A A H X S+ 0 0 22 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.884 106.3 50.3 -61.3 -38.5 -11.6 -20.7 10.8 122 133 A V H <>S+ 0 0 1 -4,-1.5 5,-1.8 -3,-0.2 -2,-0.2 0.907 113.0 45.8 -64.1 -43.4 -8.2 -21.5 12.3 123 134 A I H ><5S+ 0 0 22 -4,-2.0 3,-1.8 1,-0.2 5,-0.3 0.923 110.5 52.4 -64.8 -45.5 -7.6 -17.8 13.1 124 135 A D H 3<5S+ 0 0 121 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.795 102.2 61.3 -62.6 -27.2 -11.1 -17.4 14.6 125 136 A A T 3<5S- 0 0 32 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.497 123.6-103.8 -78.6 -5.2 -10.4 -20.4 16.8 126 137 A G T <>5S+ 0 0 30 -3,-1.8 4,-0.9 -4,-0.2 -3,-0.2 0.633 74.7 139.9 98.2 16.8 -7.5 -18.5 18.4 127 138 A A H >< + 0 0 0 -5,-1.8 4,-2.8 1,-0.2 5,-0.2 0.790 55.8 70.5 -63.8 -30.8 -4.6 -20.1 16.7 128 139 A L H > S+ 0 0 7 -5,-0.3 4,-2.9 1,-0.2 5,-0.2 0.923 97.4 44.4 -65.4 -47.3 -2.5 -17.0 16.2 129 140 A P H > S+ 0 0 90 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.908 117.1 48.8 -62.6 -36.2 -1.4 -16.1 19.7 130 141 A A H X S+ 0 0 26 -4,-0.9 4,-1.5 2,-0.2 -2,-0.2 0.906 113.3 46.2 -64.5 -46.0 -0.6 -19.7 20.4 131 142 A L H X S+ 0 0 2 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.898 110.6 52.2 -64.8 -42.2 1.4 -20.1 17.1 132 143 A V H >< S+ 0 0 24 -4,-2.9 3,-1.1 1,-0.2 4,-0.3 0.921 107.6 52.6 -63.4 -40.7 3.3 -16.8 17.7 133 144 A Q H >< S+ 0 0 128 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.867 102.0 60.6 -59.3 -36.1 4.3 -18.0 21.2 134 145 A L H >< S+ 0 0 17 -4,-1.5 3,-1.9 1,-0.3 -1,-0.3 0.718 87.3 72.8 -67.2 -19.0 5.6 -21.2 19.6 135 146 A L T << S+ 0 0 1 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.679 91.8 59.4 -66.5 -15.6 8.1 -19.1 17.6 136 147 A S T < S+ 0 0 59 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.376 79.3 127.7 -88.7 1.9 9.8 -18.7 21.0 137 148 A S < - 0 0 23 -3,-1.9 6,-0.1 1,-0.2 -3,-0.0 -0.361 53.7-153.2 -64.7 134.3 10.3 -22.5 21.4 138 149 A P S S+ 0 0 131 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.638 79.7 91.8 -76.8 -13.8 13.9 -23.7 22.1 139 150 A N > - 0 0 41 1,-0.2 4,-2.6 2,-0.0 3,-0.2 -0.750 68.8-159.0 -79.4 108.1 12.8 -26.9 20.4 140 151 A E H > S+ 0 0 58 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.787 88.7 56.2 -64.1 -29.2 13.8 -26.3 16.8 141 152 A Q H > S+ 0 0 116 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.913 111.1 43.3 -66.7 -43.5 11.4 -29.0 15.5 142 153 A I H > S+ 0 0 5 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.911 113.4 52.8 -66.2 -42.9 8.5 -27.2 17.2 143 154 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.937 110.1 47.4 -56.9 -48.6 9.7 -23.9 16.0 144 155 A Q H X S+ 0 0 23 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.888 111.7 50.4 -62.9 -39.6 9.9 -25.1 12.4 145 156 A E H X S+ 0 0 27 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.915 111.3 47.9 -64.7 -43.2 6.4 -26.6 12.5 146 157 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.909 111.4 51.7 -65.2 -39.4 5.0 -23.4 14.0 147 158 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.921 110.0 48.6 -61.1 -44.0 6.8 -21.4 11.3 148 159 A W H X S+ 0 0 103 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.907 111.8 49.7 -62.8 -41.9 5.3 -23.7 8.6 149 160 A A H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.925 112.4 46.4 -64.5 -45.4 1.8 -23.3 10.1 150 161 A L H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.871 110.0 54.8 -63.8 -36.5 2.1 -19.5 10.2 151 162 A S H X S+ 0 0 16 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.890 106.5 51.2 -63.6 -40.5 3.5 -19.5 6.6 152 163 A N H >< S+ 0 0 51 -4,-2.1 3,-0.8 2,-0.2 -2,-0.2 0.927 111.8 46.8 -60.5 -44.6 0.4 -21.5 5.5 153 164 A I H >< S+ 0 0 1 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.915 109.2 54.5 -63.0 -39.5 -1.9 -18.9 7.2 154 165 A A H 3< S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.600 95.9 68.5 -71.7 -13.1 0.2 -16.1 5.6 155 166 A S T << S+ 0 0 72 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.363 89.9 88.5 -83.0 2.5 -0.5 -17.7 2.2 156 167 A G S < S- 0 0 4 -3,-1.7 -3,-0.1 1,-0.2 -40,-0.1 0.033 88.2 -60.0 -87.1-161.3 -4.1 -16.7 2.6 157 168 A G >> - 0 0 15 1,-0.1 4,-2.4 -41,-0.0 3,-0.5 -0.136 58.1 -88.2 -78.4 175.2 -6.1 -13.6 1.6 158 169 A N H 3> S+ 0 0 129 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.842 126.2 55.2 -51.7 -41.1 -5.6 -10.1 2.8 159 170 A E H 3> S+ 0 0 125 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.893 110.7 46.1 -61.8 -40.2 -7.9 -10.6 5.8 160 171 A Q H <> S+ 0 0 7 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.912 112.1 50.1 -68.7 -42.9 -5.8 -13.5 7.0 161 172 A K H X S+ 0 0 58 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.919 108.6 53.1 -61.5 -43.7 -2.5 -11.7 6.4 162 173 A Q H X S+ 0 0 82 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.887 105.8 53.5 -61.2 -38.4 -3.7 -8.7 8.4 163 174 A A H X S+ 0 0 21 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.872 106.3 53.2 -64.9 -36.2 -4.6 -10.9 11.3 164 175 A V H <>S+ 0 0 2 -4,-1.7 5,-1.6 2,-0.2 3,-0.3 0.918 109.9 47.4 -65.0 -42.7 -1.1 -12.4 11.4 165 176 A K H ><5S+ 0 0 63 -4,-2.0 3,-1.6 1,-0.2 5,-0.3 0.913 109.7 53.3 -64.5 -40.4 0.5 -8.9 11.5 166 177 A E H 3<5S+ 0 0 142 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.751 100.3 62.0 -69.1 -20.3 -1.9 -7.9 14.3 167 178 A A T 3<5S- 0 0 37 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.434 119.8-109.3 -83.3 0.1 -0.9 -10.9 16.3 168 179 A G T X>5S+ 0 0 36 -3,-1.6 4,-0.9 -4,-0.1 3,-0.5 0.656 74.4 138.4 84.1 19.4 2.7 -9.5 16.4 169 180 A A H 3>< + 0 0 0 -5,-1.6 4,-2.6 1,-0.2 5,-0.2 0.813 58.7 69.6 -66.3 -31.2 4.3 -12.0 14.1 170 181 A L H 3> S+ 0 0 58 -5,-0.3 4,-1.9 -6,-0.2 -1,-0.2 0.861 97.3 49.2 -59.0 -40.9 6.4 -9.4 12.2 171 182 A E H <> S+ 0 0 146 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.961 115.0 42.6 -63.1 -52.5 8.7 -8.7 15.1 172 183 A K H X S+ 0 0 45 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.876 111.5 54.9 -65.8 -38.6 9.5 -12.3 15.9 173 184 A L H < S+ 0 0 2 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.917 109.1 48.2 -60.4 -41.8 9.9 -13.3 12.3 174 185 A E H >< S+ 0 0 118 -4,-1.9 3,-1.1 -5,-0.2 -2,-0.2 0.906 110.4 51.6 -64.8 -38.8 12.4 -10.5 11.8 175 186 A Q H >< S+ 0 0 117 -4,-2.1 3,-2.3 1,-0.2 -2,-0.2 0.908 101.2 62.0 -61.4 -40.1 14.3 -11.7 14.9 176 187 A L G >< S+ 0 0 6 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.617 82.1 79.8 -66.4 -11.8 14.4 -15.2 13.6 177 188 A Q G < S+ 0 0 67 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.612 95.3 49.5 -67.8 -9.9 16.4 -14.0 10.6 178 189 A S G < S+ 0 0 104 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.328 82.1 131.9-107.0 6.0 19.3 -14.2 13.2 179 190 A H < - 0 0 40 -3,-1.5 6,-0.2 1,-0.1 -3,-0.0 -0.243 67.3-122.5 -58.3 144.8 18.6 -17.7 14.4 180 191 A E S S+ 0 0 167 4,-0.1 2,-0.6 1,-0.0 -1,-0.1 0.809 95.3 81.5 -58.6 -29.6 21.6 -20.0 14.6 181 192 A N > - 0 0 33 1,-0.1 4,-2.1 2,-0.0 3,-0.4 -0.690 69.0-155.8 -85.5 118.3 19.7 -22.4 12.3 182 193 A E H > S+ 0 0 142 -2,-0.6 4,-1.9 1,-0.2 -1,-0.1 0.818 92.8 55.6 -64.2 -31.8 20.0 -21.5 8.6 183 194 A K H > S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.883 108.5 49.3 -66.0 -38.3 16.8 -23.3 7.6 184 195 A I H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.917 107.7 52.9 -67.4 -44.8 14.9 -21.3 10.2 185 196 A Q H X S+ 0 0 56 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.915 111.8 48.0 -52.7 -45.0 16.3 -18.0 9.0 186 197 A K H X S+ 0 0 139 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.907 111.9 47.0 -65.2 -45.2 15.1 -18.9 5.5 187 198 A E H X S+ 0 0 36 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.883 112.2 50.5 -68.2 -37.8 11.6 -20.0 6.5 188 199 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.913 109.6 51.3 -63.3 -42.6 11.2 -16.8 8.6 189 200 A Q H X S+ 0 0 93 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.906 109.2 50.1 -62.8 -41.5 12.3 -14.7 5.7 190 201 A E H X S+ 0 0 100 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.877 108.2 52.5 -66.5 -35.5 9.8 -16.3 3.3 191 202 A A H X S+ 0 0 2 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.914 109.3 50.3 -64.2 -41.9 7.0 -15.8 5.8 192 203 A L H X S+ 0 0 33 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.891 106.5 55.2 -60.8 -39.6 8.0 -12.1 5.9 193 204 A E H < S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.842 106.6 51.1 -61.9 -35.1 7.9 -11.9 2.1 194 205 A K H < S+ 0 0 65 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.820 112.6 45.3 -71.5 -30.5 4.4 -13.3 2.1 195 206 A L H < S+ 0 0 4 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.649 92.5 108.8 -87.5 -16.0 3.2 -10.6 4.6 196 207 A Q < 0 0 70 -4,-1.3 -3,-0.0 -5,-0.1 -4,-0.0 -0.239 360.0 360.0 -65.6 147.5 5.1 -7.8 2.8 197 208 A S 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.315 360.0 360.0-112.7 360.0 3.2 -5.1 0.9