==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 15-AUG-07 2QYJ . COMPND 2 MOLECULE: ANKYRIN NI3C; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.MERZ . 154 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 68.2 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 . 4 2.6 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 . 9 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 42.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 5.8 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 2 3 4 0 1 0 0 0 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 . 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 13 A D > 0 0 131 0, 0.0 4,-1.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 119.6 27.0 12.2 16.0 2 14 A L H > + 0 0 69 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.801 360.0 63.6 -68.7 -35.0 25.2 15.5 16.6 3 15 A G H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 103.7 48.2 -53.9 -50.9 24.4 16.2 12.9 4 16 A K H > S+ 0 0 137 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.853 111.0 51.7 -55.3 -43.4 22.1 13.1 12.8 5 17 A K H X S+ 0 0 98 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.888 108.8 49.8 -62.4 -42.4 20.4 14.2 16.0 6 18 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.885 108.2 53.9 -65.0 -40.6 19.7 17.7 14.6 7 19 A L H X S+ 0 0 8 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.941 112.8 42.7 -55.9 -50.0 18.2 16.2 11.5 8 20 A E H X S+ 0 0 96 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.919 115.9 48.5 -64.7 -45.1 15.8 14.1 13.6 9 21 A A H X>S+ 0 0 2 -4,-2.6 5,-2.5 2,-0.2 4,-0.8 0.888 112.6 48.3 -62.9 -42.3 15.0 17.0 15.9 10 22 A A H <5S+ 0 0 0 -4,-3.1 3,-0.3 2,-0.2 -1,-0.2 0.900 114.3 46.3 -63.8 -42.2 14.4 19.3 12.9 11 23 A R H <5S+ 0 0 81 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.879 114.6 47.3 -66.5 -41.3 12.2 16.7 11.2 12 24 A A H <5S- 0 0 44 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.532 110.9-120.3 -80.9 -9.8 10.2 16.0 14.5 13 25 A G T <5 + 0 0 17 -4,-0.8 2,-1.3 -3,-0.3 -3,-0.2 0.850 52.8 160.5 75.2 35.4 9.8 19.7 15.3 14 26 A Q >< + 0 0 89 -5,-2.5 4,-2.6 1,-0.2 -1,-0.2 -0.702 12.1 178.0 -93.1 85.6 11.6 19.5 18.6 15 27 A D H > S+ 0 0 65 -2,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.911 78.1 45.3 -56.2 -53.8 12.4 23.2 19.0 16 28 A D H > S+ 0 0 110 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.887 113.7 51.4 -61.3 -37.5 14.1 23.0 22.4 17 29 A E H > S+ 0 0 86 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.929 109.8 49.1 -64.2 -45.5 16.1 19.9 21.2 18 30 A V H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.933 112.0 49.9 -56.1 -47.9 17.3 21.8 18.1 19 31 A R H X S+ 0 0 139 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.917 113.7 43.9 -59.3 -48.7 18.3 24.8 20.3 20 32 A I H X S+ 0 0 84 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.911 113.5 50.8 -66.4 -41.3 20.3 22.6 22.7 21 33 A L H <>S+ 0 0 16 -4,-2.8 5,-2.3 1,-0.2 3,-0.4 0.929 114.4 44.2 -60.6 -46.4 22.0 20.6 19.9 22 34 A M H ><5S+ 0 0 47 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.893 108.5 56.4 -65.4 -42.5 23.0 23.8 18.2 23 35 A A H 3<5S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.750 109.9 50.3 -59.8 -21.8 24.2 25.4 21.4 24 36 A N T 3<5S- 0 0 114 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.081 131.2 -82.5-112.2 20.5 26.4 22.4 21.8 25 37 A G T < 5 + 0 0 64 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.474 65.3 163.2 103.7 4.4 28.1 22.3 18.4 26 38 A A < - 0 0 13 -5,-2.3 2,-0.6 -6,-0.1 -1,-0.2 -0.268 44.0-113.7 -57.0 137.2 25.7 20.5 16.0 27 39 A D > - 0 0 92 1,-0.1 3,-1.4 2,-0.1 -1,-0.1 -0.677 18.6-157.5 -76.8 114.1 26.4 21.0 12.3 28 40 A V T 3 S+ 0 0 18 -2,-0.6 11,-0.4 1,-0.3 -1,-0.1 0.693 93.2 52.2 -61.9 -22.5 23.6 23.1 10.6 29 41 A N T 3 S+ 0 0 52 8,-0.1 -1,-0.3 30,-0.1 -2,-0.1 -0.008 76.9 144.2-108.2 27.1 24.5 21.7 7.2 30 42 A A < - 0 0 11 -3,-1.4 2,-0.4 -27,-0.1 -4,-0.0 -0.319 36.6-149.5 -58.6 147.8 24.5 18.0 8.2 31 43 A K - 0 0 117 6,-0.2 6,-0.2 7,-0.1 2,-0.1 -0.973 4.2-145.7-127.9 139.3 23.2 15.8 5.4 32 44 A D > - 0 0 46 4,-2.1 3,-1.6 -2,-0.4 -28,-0.0 -0.182 49.1 -77.6 -87.6-168.3 21.3 12.5 5.6 33 45 A K T 3 S+ 0 0 186 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.868 133.4 45.3 -61.7 -35.3 21.8 9.7 3.1 34 46 A D T 3 S- 0 0 55 2,-0.1 32,-2.8 31,-0.0 33,-0.3 0.308 122.5-100.9 -91.8 6.6 19.6 11.5 0.5 35 47 A G S < S+ 0 0 13 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.517 71.0 150.4 81.5 6.2 21.3 14.9 0.9 36 48 A Y - 0 0 29 4,-0.1 -4,-2.1 29,-0.1 -1,-0.3 -0.495 29.4-157.1 -64.7 137.7 18.5 16.3 3.1 37 49 A T > - 0 0 0 -6,-0.2 4,-2.1 -2,-0.2 5,-0.2 -0.653 36.1 -97.9-107.3 167.5 19.7 18.9 5.6 38 50 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.876 127.3 55.0 -51.8 -37.1 17.9 20.0 8.9 39 51 A L H > S+ 0 0 0 -11,-0.4 4,-2.5 2,-0.2 5,-0.2 0.911 104.8 51.1 -63.4 -45.7 16.5 22.9 6.8 40 52 A H H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.938 114.3 45.2 -50.2 -49.6 15.0 20.6 4.2 41 53 A L H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.896 114.3 44.8 -71.1 -43.9 13.3 18.6 6.9 42 54 A A H X>S+ 0 0 0 -4,-2.5 5,-1.9 2,-0.2 4,-1.5 0.917 114.5 50.6 -63.7 -44.4 12.0 21.4 9.0 43 55 A A H <5S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 3,-0.2 0.901 111.9 47.6 -60.6 -43.6 10.8 23.2 5.8 44 56 A R H <5S+ 0 0 56 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.912 115.0 44.9 -62.1 -43.2 9.0 20.1 4.6 45 57 A E H <5S- 0 0 85 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.601 113.2-110.6 -86.1 -13.1 7.3 19.4 7.9 46 58 A G T <5 + 0 0 28 -4,-1.5 2,-1.6 -3,-0.2 -3,-0.2 0.582 62.6 149.0 99.0 13.3 6.1 23.0 8.7 47 59 A H >< + 0 0 48 -5,-1.9 4,-2.2 1,-0.2 -1,-0.2 -0.592 15.5 172.8 -87.6 86.5 8.4 23.8 11.6 48 60 A L H > S+ 0 0 38 -2,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.845 72.5 50.3 -66.3 -43.0 8.8 27.5 11.1 49 61 A E H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 111.6 49.6 -67.9 -38.0 10.7 28.4 14.3 50 62 A I H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.925 109.9 52.3 -63.0 -43.9 13.3 25.7 13.6 51 63 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.930 110.7 47.3 -52.5 -50.5 13.6 27.0 10.0 52 64 A E H X S+ 0 0 78 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.918 111.4 51.1 -61.1 -44.2 14.3 30.5 11.3 53 65 A V H X S+ 0 0 59 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.879 112.2 46.0 -60.4 -41.6 16.8 29.2 13.8 54 66 A L H <>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 3,-0.3 0.909 110.3 53.3 -70.2 -42.5 18.7 27.3 11.1 55 67 A L H ><5S+ 0 0 29 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.927 107.9 50.4 -55.7 -46.9 18.7 30.1 8.7 56 68 A K H 3<5S+ 0 0 189 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.772 104.9 58.8 -64.8 -27.7 20.2 32.5 11.3 57 69 A A T 3<5S- 0 0 46 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.271 126.0 -99.5 -84.9 6.0 22.9 29.9 12.0 58 70 A G T < 5 + 0 0 51 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.640 57.8 173.2 87.3 15.5 24.1 30.0 8.3 59 71 A A < - 0 0 9 -5,-2.3 2,-0.8 1,-0.1 -1,-0.2 -0.293 48.0-100.7 -50.2 134.1 22.3 26.9 7.1 60 72 A D > - 0 0 75 1,-0.2 3,-1.5 2,-0.1 -1,-0.1 -0.568 34.7-164.0 -62.2 104.2 22.7 26.7 3.3 61 73 A V T 3 S+ 0 0 16 -2,-0.8 11,-0.4 1,-0.3 -1,-0.2 0.698 89.0 46.7 -63.8 -22.9 19.3 28.0 2.2 62 74 A N T 3 S+ 0 0 54 8,-0.1 -1,-0.3 30,-0.1 -2,-0.1 0.022 78.6 147.3-112.0 26.0 20.0 26.6 -1.3 63 75 A A < - 0 0 1 -3,-1.5 2,-0.4 1,-0.1 -26,-0.1 -0.369 36.8-146.1 -58.9 137.4 21.2 23.2 -0.2 64 76 A K - 0 0 121 6,-0.1 6,-0.2 -28,-0.1 2,-0.1 -0.890 0.8-141.2-109.2 138.8 20.2 20.5 -2.7 65 77 A D > - 0 0 13 4,-2.2 3,-2.5 -2,-0.4 -30,-0.3 -0.267 49.1 -80.6 -80.7-176.5 19.3 17.0 -2.0 66 78 A K T 3 S+ 0 0 128 -32,-2.8 -31,-0.1 1,-0.3 -1,-0.1 0.730 135.1 47.0 -62.7 -21.6 20.5 14.2 -4.3 67 79 A D T 3 S- 0 0 53 -33,-0.3 32,-2.9 2,-0.1 33,-0.3 0.222 123.6-101.5-101.8 10.9 17.6 15.0 -6.7 68 80 A G < + 0 0 3 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.581 69.6 151.8 77.2 11.4 18.2 18.8 -6.6 69 81 A Y - 0 0 28 29,-0.1 -4,-2.2 4,-0.1 -1,-0.3 -0.611 26.7-162.0 -71.0 129.8 15.4 19.6 -4.2 70 82 A T > - 0 0 3 -2,-0.3 4,-1.4 -6,-0.2 3,-0.4 -0.635 36.6-101.6 -99.6 165.6 16.0 22.7 -2.1 71 83 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.858 124.0 58.2 -54.9 -35.1 14.1 23.5 1.1 72 84 A L H > S+ 0 0 0 -11,-0.4 4,-2.6 1,-0.2 5,-0.3 0.868 100.4 56.0 -62.6 -39.1 12.0 26.0 -0.9 73 85 A H H > S+ 0 0 0 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.926 111.6 44.0 -51.9 -46.8 10.8 23.1 -3.2 74 86 A L H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.864 114.6 46.8 -73.4 -39.4 9.6 21.2 -0.2 75 87 A A H X>S+ 0 0 0 -4,-2.1 5,-1.9 2,-0.2 4,-1.3 0.900 114.9 47.1 -68.9 -42.9 7.9 24.2 1.5 76 88 A A H <5S+ 0 0 0 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.893 114.5 47.2 -65.0 -41.2 6.2 25.3 -1.7 77 89 A R H <5S+ 0 0 53 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.882 115.4 45.5 -63.1 -41.7 5.0 21.7 -2.4 78 90 A E H <5S- 0 0 85 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.601 111.9-117.7 -85.3 -13.7 3.8 21.2 1.1 79 91 A G T <5 + 0 0 26 -4,-1.3 2,-1.6 1,-0.2 -3,-0.2 0.647 57.4 153.2 90.9 18.6 2.0 24.6 1.3 80 92 A H >< + 0 0 46 -5,-1.9 4,-2.6 1,-0.2 -1,-0.2 -0.601 15.5 176.2 -84.1 85.3 4.0 26.1 4.2 81 93 A L H > S+ 0 0 46 -2,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.869 74.3 48.9 -62.3 -47.5 3.5 29.7 3.2 82 94 A E H > S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.874 113.1 49.3 -61.3 -39.9 5.2 31.4 6.2 83 95 A I H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.919 107.8 54.8 -65.9 -42.6 8.2 29.1 5.6 84 96 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.914 109.9 46.9 -53.7 -45.4 8.2 29.9 1.9 85 97 A E H X S+ 0 0 96 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.919 111.2 49.6 -64.6 -43.6 8.4 33.7 2.8 86 98 A V H X S+ 0 0 22 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.899 111.2 50.5 -65.6 -40.9 11.2 33.2 5.3 87 99 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 3,-0.5 0.941 108.8 50.6 -61.0 -50.0 13.2 31.2 2.8 88 100 A L H ><5S+ 0 0 30 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.882 109.6 51.0 -55.9 -42.7 12.9 33.7 0.0 89 101 A K H 3<5S+ 0 0 177 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.789 105.2 57.3 -64.2 -30.8 14.1 36.5 2.4 90 102 A A T 3<5S- 0 0 48 -4,-1.3 -1,-0.2 -3,-0.5 -29,-0.2 0.417 132.2 -90.7 -83.3 0.1 17.1 34.5 3.4 91 103 A G T < 5 + 0 0 45 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.2 0.647 62.3 174.2 102.3 18.8 18.1 34.3 -0.3 92 104 A A < - 0 0 11 -5,-2.2 2,-1.1 -6,-0.1 -1,-0.2 -0.306 41.1-113.6 -56.6 136.0 16.4 31.1 -1.4 93 105 A D > - 0 0 75 1,-0.2 3,-1.7 -32,-0.1 -1,-0.1 -0.643 28.5-167.3 -74.4 100.1 16.7 30.5 -5.2 94 106 A V T 3 S+ 0 0 10 -2,-1.1 11,-0.4 1,-0.3 -1,-0.2 0.686 86.9 48.8 -61.4 -16.7 13.1 30.9 -6.3 95 107 A N T 3 S+ 0 0 61 8,-0.1 -1,-0.3 30,-0.1 2,-0.1 0.108 76.6 141.8-115.8 20.1 14.1 29.5 -9.6 96 108 A A < - 0 0 10 -3,-1.7 2,-0.4 1,-0.0 -26,-0.1 -0.410 37.6-150.5 -65.3 137.7 16.0 26.4 -8.5 97 109 A K - 0 0 91 6,-0.1 6,-0.2 -2,-0.1 -2,-0.1 -0.914 3.1-141.0-114.2 134.6 15.3 23.3 -10.7 98 110 A D > - 0 0 16 4,-2.1 3,-2.5 -2,-0.4 -30,-0.3 -0.210 47.2 -76.9 -82.1-173.8 15.5 19.8 -9.5 99 111 A K T 3 S+ 0 0 135 -32,-2.9 -31,-0.1 1,-0.3 -1,-0.1 0.799 136.4 44.7 -54.3 -34.5 16.9 16.9 -11.6 100 112 A D T 3 S- 0 0 34 -33,-0.3 32,-1.9 2,-0.1 -1,-0.3 0.231 122.8-103.3 -93.7 9.7 13.8 16.8 -13.8 101 113 A G < + 0 0 12 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.540 68.8 151.7 82.3 6.5 13.6 20.6 -14.1 102 114 A Y - 0 0 57 4,-0.1 -4,-2.1 -5,-0.1 -1,-0.3 -0.587 26.7-161.9 -74.4 131.0 10.8 21.2 -11.6 103 115 A T > - 0 0 2 -2,-0.3 4,-2.0 -6,-0.2 3,-0.2 -0.549 36.4-102.1-103.2 166.3 10.8 24.5 -9.9 104 116 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.878 125.2 57.5 -58.3 -34.1 9.1 25.5 -6.7 105 117 A L H > S+ 0 0 2 -11,-0.4 4,-2.7 2,-0.2 5,-0.2 0.882 104.6 51.5 -57.6 -42.8 6.4 27.2 -8.9 106 118 A H H > S+ 0 0 4 -3,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.936 113.1 44.2 -56.3 -50.9 5.8 23.9 -10.6 107 119 A L H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.891 115.3 46.2 -68.4 -42.7 5.3 22.1 -7.3 108 120 A A H X>S+ 0 0 0 -4,-2.8 5,-2.5 2,-0.2 4,-1.3 0.934 115.8 47.2 -63.8 -46.7 3.1 24.8 -5.8 109 121 A A H ><5S+ 0 0 0 -4,-2.7 3,-0.7 -5,-0.2 -2,-0.2 0.947 111.9 50.2 -54.0 -53.3 1.1 25.0 -9.0 110 122 A R H 3<5S+ 0 0 110 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.821 115.0 43.9 -56.4 -36.6 0.8 21.2 -9.2 111 123 A E H 3<5S- 0 0 90 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.621 113.1-121.3 -86.5 -14.6 -0.4 21.2 -5.6 112 124 A G T <<5 + 0 0 32 -4,-1.3 2,-1.2 -3,-0.7 -3,-0.2 0.767 53.4 157.4 82.0 27.4 -2.8 24.1 -6.1 113 125 A H >< + 0 0 47 -5,-2.5 4,-2.2 1,-0.2 -1,-0.2 -0.696 11.8 175.5 -88.0 92.0 -1.3 26.5 -3.5 114 126 A L H > S+ 0 0 36 -2,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.920 75.6 50.9 -66.4 -47.6 -2.4 29.8 -4.9 115 127 A E H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 111.7 49.3 -60.8 -43.1 -1.1 32.0 -2.1 116 128 A I H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.895 108.4 54.8 -59.2 -43.7 2.4 30.3 -2.4 117 129 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.919 107.0 49.8 -56.6 -45.6 2.3 30.9 -6.2 118 130 A E H X S+ 0 0 85 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.944 112.3 47.3 -59.9 -49.5 1.6 34.7 -5.7 119 131 A V H X S+ 0 0 21 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.881 112.0 50.5 -59.3 -41.5 4.6 34.9 -3.3 120 132 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 3,-0.3 0.937 112.2 47.0 -65.5 -45.8 6.8 33.0 -5.6 121 133 A L H ><5S+ 0 0 42 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.939 109.7 52.4 -57.3 -50.3 5.9 35.2 -8.5 122 134 A K H 3<5S+ 0 0 171 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.779 108.5 54.0 -56.3 -29.0 6.4 38.4 -6.5 123 135 A A T 3<5S- 0 0 49 -4,-1.3 -1,-0.3 -3,-0.3 -29,-0.2 0.352 132.7 -85.8 -92.2 3.5 9.9 37.0 -5.6 124 136 A G T < 5 + 0 0 45 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.603 62.8 169.8 108.5 15.2 10.9 36.5 -9.2 125 137 A A < - 0 0 12 -5,-2.2 2,-0.8 -8,-0.1 -1,-0.2 -0.388 37.5-121.9 -61.5 131.9 9.6 33.0 -10.2 126 138 A D > - 0 0 73 1,-0.2 3,-1.4 -32,-0.1 -1,-0.1 -0.693 20.1-166.0 -77.6 105.9 10.0 32.4 -13.9 127 139 A V T 3 S+ 0 0 42 -2,-0.8 10,-0.5 1,-0.2 11,-0.5 0.802 87.9 57.1 -60.2 -30.2 6.5 31.6 -15.3 128 140 A N T 3 S+ 0 0 110 8,-0.1 -1,-0.2 9,-0.1 2,-0.1 0.405 74.8 128.5 -85.6 1.1 8.1 30.3 -18.5 129 141 A A < - 0 0 8 -3,-1.4 2,-0.4 1,-0.0 8,-0.4 -0.395 44.1-156.5 -61.3 132.2 10.2 27.6 -16.8 130 142 A Q - 0 0 118 6,-0.1 6,-0.2 -2,-0.1 -2,-0.1 -0.907 5.0-141.9-115.7 138.7 9.8 24.2 -18.4 131 143 A D > - 0 0 15 4,-2.0 3,-2.0 -2,-0.4 -30,-0.2 -0.070 47.6 -77.4 -81.8-167.1 10.4 20.8 -16.9 132 144 A K T 3 S+ 0 0 131 -32,-1.9 -31,-0.1 1,-0.3 -1,-0.0 0.669 134.8 50.4 -73.6 -19.2 11.8 17.8 -18.8 133 145 A F T 3 S- 0 0 132 -33,-0.2 -1,-0.3 2,-0.1 -32,-0.1 0.246 121.7-109.4 -95.2 7.8 8.5 17.1 -20.5 134 146 A G < + 0 0 30 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.662 69.1 146.1 73.7 19.4 8.4 20.8 -21.5 135 147 A K - 0 0 90 3,-0.0 -4,-2.0 4,-0.0 -1,-0.2 -0.688 32.4-156.4 -93.4 141.5 5.5 21.7 -19.2 136 148 A T > - 0 0 20 -2,-0.3 4,-1.4 -6,-0.2 -6,-0.1 -0.557 36.4-102.8-100.3 172.0 5.2 25.1 -17.4 137 149 A A H > S+ 0 0 1 -10,-0.5 4,-1.9 -8,-0.4 5,-0.1 0.852 125.4 56.8 -60.9 -35.7 3.3 26.0 -14.2 138 150 A F H > S+ 0 0 57 -11,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.927 100.8 56.5 -60.0 -46.8 0.6 27.4 -16.5 139 151 A D H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 107.0 49.6 -48.7 -45.4 0.3 24.0 -18.3 140 152 A I H X S+ 0 0 27 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.908 107.5 53.4 -63.9 -43.6 -0.4 22.5 -14.9 141 153 A S H <>S+ 0 0 1 -4,-1.9 5,-2.6 1,-0.2 4,-0.3 0.828 109.6 48.9 -61.2 -34.3 -3.1 25.1 -14.1 142 154 A I H ><5S+ 0 0 95 -4,-2.0 3,-0.9 3,-0.2 -1,-0.2 0.899 109.5 52.4 -72.2 -42.4 -4.8 24.3 -17.5 143 155 A D H 3<5S+ 0 0 111 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.917 114.3 42.0 -55.5 -47.0 -4.7 20.5 -16.7 144 156 A N T 3<5S- 0 0 98 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.422 107.6-123.3 -85.4 -0.7 -6.3 21.0 -13.4 145 157 A G T < 5 + 0 0 62 -3,-0.9 2,-1.3 -4,-0.3 -3,-0.2 0.849 51.8 163.9 58.8 36.3 -8.9 23.5 -14.6 146 158 A N >< + 0 0 46 -5,-2.6 4,-2.9 1,-0.2 -1,-0.2 -0.696 15.2 178.9 -92.1 90.6 -7.6 25.9 -12.0 147 159 A E H > S+ 0 0 163 -2,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.883 79.3 51.3 -61.3 -43.6 -8.9 29.2 -13.2 148 160 A D H > S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 114.0 45.2 -60.9 -41.0 -7.5 31.2 -10.3 149 161 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.955 110.4 52.7 -66.7 -53.1 -4.0 29.7 -10.9 150 162 A A H X S+ 0 0 17 -4,-2.9 4,-1.6 -9,-0.2 -2,-0.2 0.848 111.7 47.9 -48.0 -41.3 -4.2 30.2 -14.7 151 163 A E H < S+ 0 0 141 -4,-2.0 3,-0.3 3,-0.2 -1,-0.2 0.966 110.2 49.1 -68.3 -56.7 -5.0 33.9 -14.2 152 164 A I H < S+ 0 0 41 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.838 118.8 41.3 -48.0 -42.0 -2.3 34.6 -11.6 153 165 A L H < 0 0 9 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.735 360.0 360.0 -80.9 -26.6 0.2 32.9 -14.0 154 166 A Q < 0 0 154 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.2 0.232 360.0 360.0-149.0 360.0 -1.2 34.5 -17.2