==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 15-FEB-13 4J8Y . COMPND 2 MOLECULE: DARPIN_E3_5_D77S; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR M.A.SEEGER,M.G.GRUETTER . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 68.8 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 2.5 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 5.7 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 4 2 3 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 0 121 0, 0.0 4,-1.2 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -26.8 -33.0 -16.0 21.5 2 14 A L H > + 0 0 59 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.792 360.0 64.9 -67.1 -29.6 -29.7 -17.8 21.0 3 15 A G H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 101.6 47.0 -61.0 -46.5 -28.7 -15.4 18.2 4 16 A K H > S+ 0 0 151 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.864 113.2 50.2 -63.9 -36.1 -28.5 -12.3 20.5 5 17 A K H X S+ 0 0 108 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.865 109.0 50.8 -71.8 -35.7 -26.5 -14.3 23.1 6 18 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.900 108.8 52.8 -66.4 -41.1 -24.1 -15.5 20.4 7 19 A L H X S+ 0 0 12 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.923 112.3 44.5 -59.2 -45.0 -23.6 -11.9 19.3 8 20 A E H X S+ 0 0 103 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.899 112.7 50.9 -67.5 -41.3 -22.8 -10.9 22.9 9 21 A A H X>S+ 0 0 2 -4,-2.4 5,-2.1 1,-0.2 4,-1.0 0.891 111.3 48.1 -65.0 -39.9 -20.5 -13.8 23.6 10 22 A A H <5S+ 0 0 0 -4,-2.5 3,-0.3 2,-0.2 -1,-0.2 0.913 114.1 46.2 -65.5 -45.0 -18.5 -13.2 20.4 11 23 A R H <5S+ 0 0 101 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.894 114.5 48.4 -63.3 -39.2 -18.2 -9.5 21.2 12 24 A A H <5S- 0 0 35 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.603 111.3-116.9 -83.0 -14.1 -17.2 -10.2 24.8 13 25 A G T <5 + 0 0 19 -4,-1.0 2,-1.4 -3,-0.3 -3,-0.2 0.679 59.9 150.9 86.6 19.6 -14.6 -12.8 24.0 14 26 A Q >< + 0 0 91 -5,-2.1 4,-2.2 -6,-0.2 -1,-0.2 -0.638 15.4 174.3 -85.5 85.8 -16.3 -15.7 25.7 15 27 A D H > S+ 0 0 58 -2,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.857 73.4 51.7 -67.0 -38.0 -15.1 -18.6 23.6 16 28 A D H > S+ 0 0 116 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 112.2 47.6 -65.8 -39.0 -16.5 -21.5 25.6 17 29 A E H > S+ 0 0 106 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.899 108.8 54.3 -65.8 -42.2 -20.0 -19.8 25.5 18 30 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.950 111.2 46.7 -53.7 -48.7 -19.6 -19.2 21.7 19 31 A R H X S+ 0 0 102 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.907 114.3 45.3 -61.5 -45.6 -18.9 -22.9 21.3 20 32 A I H X S+ 0 0 103 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.899 109.8 54.5 -69.1 -39.0 -21.8 -24.1 23.5 21 33 A L H <>S+ 0 0 26 -4,-3.0 5,-2.5 1,-0.2 -1,-0.2 0.888 108.7 49.7 -61.4 -38.2 -24.2 -21.7 21.9 22 34 A M H ><5S+ 0 0 23 -4,-1.8 3,-1.6 -5,-0.2 -1,-0.2 0.892 107.6 53.3 -63.5 -44.2 -23.3 -23.1 18.5 23 35 A A H 3<5S+ 0 0 86 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.822 104.8 55.7 -63.3 -30.9 -23.8 -26.6 19.7 24 36 A N T 3<5S- 0 0 109 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.468 128.9 -99.7 -79.4 -2.8 -27.3 -25.6 20.9 25 37 A G T < 5 + 0 0 58 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.655 58.9 170.7 96.3 18.4 -28.0 -24.5 17.3 26 38 A A < - 0 0 9 -5,-2.5 2,-0.7 -6,-0.1 -1,-0.2 -0.331 45.9-104.6 -58.8 140.7 -27.4 -20.7 17.5 27 39 A D > - 0 0 95 1,-0.2 3,-1.8 2,-0.1 -1,-0.1 -0.614 25.9-154.5 -71.9 113.2 -27.5 -19.1 14.1 28 40 A V T 3 S+ 0 0 15 -2,-0.7 11,-0.4 1,-0.3 -1,-0.2 0.741 94.2 48.6 -61.7 -22.5 -23.8 -18.4 13.4 29 41 A N T 3 S+ 0 0 51 8,-0.1 -1,-0.3 30,-0.1 -2,-0.1 -0.009 78.3 140.7-111.5 29.5 -24.9 -15.6 11.0 30 42 A A < - 0 0 14 -3,-1.8 2,-0.3 -27,-0.1 -4,-0.0 -0.310 39.6-144.8 -60.5 154.0 -27.3 -13.9 13.4 31 43 A T - 0 0 83 6,-0.2 6,-0.2 7,-0.1 -24,-0.1 -0.947 5.0-136.0-128.1 148.3 -27.2 -10.1 13.1 32 44 A D > - 0 0 41 4,-2.0 3,-1.6 -2,-0.3 -28,-0.0 -0.153 52.4 -77.2 -82.0-170.3 -27.6 -7.2 15.6 33 45 A N T 3 S+ 0 0 137 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.689 134.0 50.5 -64.0 -19.6 -29.7 -4.1 14.8 34 46 A D T 3 S- 0 0 86 2,-0.1 32,-2.2 31,-0.0 33,-0.4 0.411 120.8-105.3 -98.7 -0.2 -26.8 -2.7 12.6 35 47 A G S < S+ 0 0 9 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.603 70.4 147.5 86.4 11.6 -26.5 -5.9 10.6 36 48 A Y - 0 0 56 29,-0.1 -4,-2.0 4,-0.0 -1,-0.3 -0.656 34.1-150.7 -81.6 135.8 -23.3 -7.1 12.3 37 49 A T > - 0 0 4 -2,-0.3 4,-2.0 -6,-0.2 5,-0.2 -0.448 34.3 -98.0 -93.7 170.4 -22.7 -10.8 12.7 38 50 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.878 126.8 56.6 -55.8 -35.9 -20.8 -12.5 15.5 39 51 A L H > S+ 0 0 0 -11,-0.4 4,-2.2 1,-0.2 5,-0.2 0.886 105.0 50.9 -64.2 -39.6 -17.8 -12.7 13.1 40 52 A H H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.944 113.9 44.6 -57.5 -49.2 -18.0 -8.9 12.6 41 53 A L H X S+ 0 0 25 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.887 112.9 49.1 -69.9 -39.7 -18.0 -8.4 16.4 42 54 A A H <>S+ 0 0 0 -4,-2.9 5,-2.3 2,-0.2 4,-0.4 0.903 113.2 49.1 -64.6 -39.2 -15.2 -10.9 17.1 43 55 A A H ><5S+ 0 0 0 -4,-2.2 3,-0.9 -5,-0.2 -2,-0.2 0.921 111.3 47.4 -66.5 -43.9 -13.1 -9.3 14.4 44 56 A S H 3<5S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.809 114.4 47.8 -67.8 -30.2 -13.6 -5.7 15.6 45 57 A N T 3<5S- 0 0 68 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.410 112.6-116.8 -93.9 1.6 -12.8 -6.8 19.2 46 58 A G T < 5 + 0 0 26 -3,-0.9 2,-1.4 -4,-0.4 -3,-0.2 0.701 58.7 152.7 75.3 23.0 -9.6 -8.7 18.3 47 59 A H >< + 0 0 53 -5,-2.3 4,-2.2 -6,-0.2 -1,-0.2 -0.639 13.7 173.7 -90.0 86.0 -10.9 -12.1 19.4 48 60 A L H > S+ 0 0 47 -2,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.892 73.4 51.2 -63.0 -46.4 -8.9 -14.4 17.1 49 61 A E H > S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.889 111.8 48.9 -62.1 -38.0 -9.8 -17.8 18.6 50 62 A I H > S+ 0 0 4 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.905 108.0 54.1 -66.6 -41.7 -13.5 -16.9 18.3 51 63 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.950 111.6 46.1 -53.6 -48.4 -13.0 -15.7 14.7 52 64 A E H X S+ 0 0 71 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.913 112.5 49.4 -63.0 -43.4 -11.5 -19.2 14.0 53 65 A V H X S+ 0 0 14 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.914 110.8 49.7 -63.2 -44.0 -14.3 -21.0 15.8 54 66 A L H ><>S+ 0 0 0 -4,-3.0 5,-2.1 1,-0.2 3,-0.7 0.919 111.1 49.4 -61.1 -42.8 -17.0 -19.1 14.0 55 67 A L H ><5S+ 0 0 19 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.882 107.2 54.6 -65.4 -37.5 -15.4 -19.8 10.6 56 68 A K H 3<5S+ 0 0 163 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.707 109.3 51.2 -65.2 -20.1 -15.1 -23.5 11.5 57 69 A N T <<5S- 0 0 76 -4,-0.9 -1,-0.3 -3,-0.7 -29,-0.2 0.055 129.4 -87.3-111.8 23.5 -18.9 -23.4 12.1 58 70 A G T < 5 + 0 0 50 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.655 61.5 169.9 90.7 18.7 -20.0 -21.8 8.9 59 71 A A < - 0 0 12 -5,-2.1 2,-0.9 -8,-0.1 -1,-0.2 -0.353 44.0-110.4 -60.4 143.1 -19.8 -18.1 9.5 60 72 A D > - 0 0 76 1,-0.2 3,-1.6 -32,-0.1 -1,-0.1 -0.690 28.2-165.8 -76.4 104.0 -20.3 -15.9 6.4 61 73 A V T 3 S+ 0 0 16 -2,-0.9 11,-0.4 1,-0.3 -1,-0.2 0.694 88.6 46.3 -68.9 -18.3 -16.8 -14.5 5.9 62 74 A N T 3 S+ 0 0 63 30,-0.1 -1,-0.3 8,-0.1 -2,-0.1 0.113 79.7 147.7-110.3 21.4 -18.2 -12.0 3.4 63 75 A A < - 0 0 8 -3,-1.6 2,-0.4 1,-0.1 -26,-0.1 -0.284 34.3-149.5 -60.7 137.6 -21.2 -10.8 5.5 64 76 A S - 0 0 76 6,-0.1 6,-0.2 7,-0.1 -1,-0.1 -0.925 3.0-138.2-116.4 135.2 -22.2 -7.2 5.0 65 77 A S > - 0 0 9 4,-2.1 3,-1.8 -2,-0.4 -30,-0.2 -0.121 44.6 -84.3 -75.9-178.1 -23.7 -4.9 7.6 66 78 A L T 3 S+ 0 0 126 -32,-2.2 -31,-0.1 1,-0.3 -1,-0.1 0.736 134.9 44.9 -60.9 -21.8 -26.5 -2.4 6.8 67 79 A T T 3 S- 0 0 71 -33,-0.4 32,-3.0 2,-0.1 33,-0.3 0.323 124.9-101.0-104.2 6.3 -23.9 0.0 5.6 68 80 A G < + 0 0 10 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.570 69.8 151.5 89.3 11.4 -21.9 -2.6 3.6 69 81 A I - 0 0 15 29,-0.1 -4,-2.1 4,-0.0 -1,-0.3 -0.609 26.8-160.2 -80.7 132.6 -19.2 -3.1 6.2 70 82 A T > - 0 0 4 -2,-0.3 4,-1.8 -6,-0.2 3,-0.2 -0.622 33.6-105.3-105.7 165.7 -17.5 -6.6 6.2 71 83 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.894 122.5 55.1 -58.8 -35.5 -15.6 -8.4 8.9 72 84 A L H > S+ 0 0 1 -11,-0.4 4,-2.5 1,-0.2 5,-0.2 0.878 103.4 54.8 -63.9 -38.3 -12.4 -7.7 6.9 73 85 A H H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.949 111.9 44.9 -55.3 -48.2 -13.2 -4.0 6.9 74 86 A L H X S+ 0 0 25 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.905 112.8 48.3 -68.2 -42.5 -13.4 -4.1 10.7 75 87 A A H <>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 4,-0.4 0.894 114.6 47.6 -64.1 -38.6 -10.2 -6.2 11.2 76 88 A A H ><5S+ 0 0 0 -4,-2.5 3,-0.7 -5,-0.2 -2,-0.2 0.911 113.2 47.3 -67.2 -42.3 -8.3 -3.9 8.9 77 89 A A H 3<5S+ 0 0 17 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.813 114.0 47.0 -69.2 -31.0 -9.6 -0.7 10.6 78 90 A T T 3<5S- 0 0 51 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.357 111.5-115.6 -99.1 3.4 -8.9 -1.9 14.1 79 91 A G T < 5 + 0 0 28 -3,-0.7 2,-1.2 -4,-0.4 -3,-0.2 0.715 60.0 150.0 77.4 24.2 -5.4 -3.2 13.4 80 92 A H >< + 0 0 53 -5,-2.0 4,-2.2 -6,-0.2 -1,-0.2 -0.701 16.2 175.5 -94.3 90.7 -5.9 -6.9 14.0 81 93 A L H > S+ 0 0 18 -2,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.884 74.5 51.2 -64.5 -47.2 -3.3 -8.4 11.6 82 94 A E H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.896 112.5 48.9 -60.7 -38.8 -3.7 -12.1 12.5 83 95 A I H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.908 107.6 54.1 -68.3 -41.3 -7.5 -11.8 12.0 84 96 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.949 110.0 48.3 -53.9 -48.4 -7.0 -10.0 8.7 85 97 A E H X S+ 0 0 82 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.900 111.8 48.2 -60.6 -42.6 -4.8 -12.9 7.5 86 98 A V H X S+ 0 0 18 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.914 111.3 50.2 -66.9 -42.4 -7.3 -15.5 8.7 87 99 A L H <>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 -1,-0.2 0.915 111.7 48.0 -62.7 -42.4 -10.2 -13.8 7.0 88 100 A L H ><5S+ 0 0 21 -4,-2.4 3,-1.8 -5,-0.2 -1,-0.2 0.922 108.5 54.8 -63.1 -43.1 -8.3 -13.5 3.7 89 101 A K H 3<5S+ 0 0 174 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.866 107.4 51.2 -56.8 -37.6 -7.4 -17.2 4.0 90 102 A H T 3<5S- 0 0 94 -4,-1.8 -1,-0.3 -5,-0.1 -29,-0.2 0.314 130.9 -89.5 -88.8 8.5 -11.1 -18.1 4.3 91 103 A G T < 5 + 0 0 45 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.621 61.8 167.7 100.9 15.0 -12.1 -16.1 1.2 92 104 A A < - 0 0 10 -5,-2.4 2,-0.7 -6,-0.1 -1,-0.2 -0.382 45.8-110.3 -58.0 135.2 -12.8 -12.6 2.4 93 105 A D > - 0 0 80 1,-0.2 3,-1.6 -32,-0.1 -1,-0.1 -0.612 24.9-157.6 -72.4 111.5 -13.1 -10.2 -0.6 94 106 A V T 3 S+ 0 0 15 -2,-0.7 11,-0.4 1,-0.3 -1,-0.2 0.733 90.5 43.5 -64.8 -23.1 -10.0 -8.0 -0.2 95 107 A N T 3 S+ 0 0 51 8,-0.1 -1,-0.3 9,-0.1 -2,-0.1 0.071 77.5 143.7-114.1 22.9 -11.7 -5.2 -2.3 96 108 A A < - 0 0 9 -3,-1.6 2,-0.4 1,-0.0 -26,-0.1 -0.308 36.6-150.0 -56.3 144.3 -15.1 -5.2 -0.8 97 109 A Y - 0 0 175 6,-0.1 6,-0.2 7,-0.1 -2,-0.1 -0.961 1.5-141.9-124.0 140.5 -16.6 -1.7 -0.6 98 110 A D > - 0 0 17 4,-1.9 3,-2.2 -2,-0.4 -30,-0.3 -0.181 47.0 -78.8 -83.6-174.1 -19.0 -0.2 1.9 99 111 A N T 3 S+ 0 0 117 -32,-3.0 -31,-0.1 1,-0.3 -1,-0.1 0.647 133.7 48.9 -64.4 -15.3 -21.8 2.2 1.1 100 112 A D T 3 S- 0 0 62 -33,-0.3 32,-2.7 2,-0.1 33,-0.3 0.244 122.0-105.3-105.2 10.0 -19.3 5.1 1.0 101 113 A G < + 0 0 19 -3,-2.2 2,-0.4 30,-0.3 -2,-0.1 0.610 68.2 151.2 80.8 12.6 -17.0 3.2 -1.3 102 114 A H - 0 0 26 29,-0.1 -4,-1.9 4,-0.1 -1,-0.3 -0.652 26.0-163.8 -81.7 131.6 -14.4 2.4 1.4 103 115 A T > - 0 0 5 -2,-0.4 4,-2.0 -6,-0.2 5,-0.2 -0.554 38.8 -99.5 -99.8 169.9 -12.3 -0.7 1.0 104 116 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.896 125.8 55.8 -57.2 -36.7 -10.3 -2.5 3.6 105 117 A L H > S+ 0 0 0 -11,-0.4 4,-2.3 1,-0.2 5,-0.2 0.899 105.1 52.3 -61.0 -41.5 -7.2 -0.8 2.2 106 118 A H H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 112.6 44.7 -58.3 -44.8 -8.8 2.6 2.7 107 119 A L H X S+ 0 0 17 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.875 111.0 51.4 -73.3 -36.8 -9.6 1.8 6.3 108 120 A A H <>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 4,-0.4 0.911 113.5 47.4 -63.6 -39.0 -6.1 0.4 7.1 109 121 A A H ><5S+ 0 0 0 -4,-2.3 3,-0.7 -5,-0.2 -2,-0.2 0.878 109.6 53.0 -66.4 -38.7 -4.7 3.6 5.5 110 122 A K H 3<5S+ 0 0 72 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.892 114.4 40.5 -64.7 -40.4 -7.0 5.8 7.5 111 123 A Y T 3<5S- 0 0 124 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.286 113.4-114.4-100.1 9.5 -6.1 4.3 10.9 112 124 A G T < 5 + 0 0 31 -3,-0.7 2,-1.2 -4,-0.4 -3,-0.2 0.743 56.5 155.4 76.0 29.8 -2.4 4.0 10.1 113 125 A H >< + 0 0 53 -5,-2.3 4,-2.2 1,-0.2 -1,-0.2 -0.702 12.1 175.2 -95.6 90.5 -1.9 0.3 10.1 114 126 A L H > S+ 0 0 73 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.885 76.8 50.1 -64.7 -43.1 1.2 -0.2 7.9 115 127 A E H > S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.885 111.2 50.3 -67.1 -35.1 1.6 -3.9 8.4 116 128 A I H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.907 108.0 52.9 -68.9 -39.8 -2.1 -4.5 7.5 117 129 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.936 108.4 51.3 -55.7 -46.3 -1.6 -2.3 4.4 118 130 A E H X S+ 0 0 123 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.900 111.5 47.2 -59.0 -42.1 1.4 -4.5 3.4 119 131 A V H < S+ 0 0 2 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.921 111.1 49.5 -67.7 -44.5 -0.7 -7.7 3.8 120 132 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 3,-1.5 0.909 109.6 53.7 -62.3 -38.1 -3.7 -6.4 1.9 121 133 A L H ><5S+ 0 0 42 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.848 104.4 54.0 -65.9 -33.4 -1.4 -5.3 -1.0 122 134 A K T 3<5S+ 0 0 131 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.387 107.4 53.7 -85.5 8.5 0.1 -8.8 -1.2 123 135 A H T < 5S- 0 0 98 -3,-1.5 -1,-0.2 -4,-0.2 -29,-0.2 0.062 129.5 -85.7-125.1 23.9 -3.4 -10.2 -1.6 124 136 A G T < 5 + 0 0 50 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.671 61.6 171.9 89.1 18.1 -4.5 -8.0 -4.5 125 137 A A < - 0 0 12 -5,-2.0 2,-0.8 -6,-0.1 -1,-0.2 -0.361 36.9-119.4 -57.1 139.0 -5.8 -4.9 -2.8 126 138 A D > - 0 0 72 1,-0.2 3,-1.1 -32,-0.1 11,-0.2 -0.752 23.8-170.8 -89.6 104.6 -6.6 -2.2 -5.4 127 139 A V T 3 S+ 0 0 24 -2,-0.8 11,-0.4 1,-0.2 10,-0.3 0.668 86.6 56.2 -65.9 -15.7 -4.5 0.9 -4.9 128 140 A N T 3 S+ 0 0 101 8,-0.1 -1,-0.2 9,-0.1 2,-0.1 0.533 75.3 120.2 -96.2 -7.0 -6.6 2.7 -7.5 129 141 A A < - 0 0 19 -3,-1.1 2,-0.4 1,-0.1 8,-0.4 -0.375 50.0-153.6 -61.8 131.0 -10.0 2.2 -5.9 130 142 A Q - 0 0 127 6,-0.1 6,-0.2 -2,-0.1 -2,-0.1 -0.863 4.2-138.0-109.7 140.7 -11.7 5.5 -5.1 131 143 A D > - 0 0 9 4,-2.2 3,-2.2 -2,-0.4 -30,-0.3 -0.145 47.4 -80.6 -80.3-172.8 -14.3 6.1 -2.4 132 144 A K T 3 S+ 0 0 138 -32,-2.7 -31,-0.1 1,-0.3 -1,-0.1 0.699 132.7 58.3 -67.4 -14.6 -17.4 8.2 -2.9 133 145 A F T 3 S- 0 0 128 -33,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.422 121.1-107.9 -90.9 -0.2 -15.2 11.3 -2.3 134 146 A G S < S+ 0 0 30 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.606 73.7 143.3 82.7 15.1 -12.9 10.3 -5.2 135 147 A K - 0 0 66 4,-0.1 -4,-2.2 3,-0.0 -1,-0.3 -0.722 38.8-153.1 -99.7 136.9 -10.1 9.3 -2.8 136 148 A T > - 0 0 16 -2,-0.4 4,-2.2 -6,-0.2 5,-0.2 -0.444 40.3 -98.3 -90.2 170.4 -7.7 6.5 -3.0 137 149 A A H > S+ 0 0 2 -8,-0.4 4,-2.2 -10,-0.3 5,-0.2 0.888 128.1 54.1 -57.3 -38.0 -6.0 4.8 -0.0 138 150 A F H > S+ 0 0 43 -11,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.948 107.3 49.4 -58.9 -48.4 -3.0 7.0 -0.7 139 151 A D H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.878 111.4 50.2 -58.3 -38.7 -5.2 10.1 -0.6 140 152 A I H X S+ 0 0 15 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.868 106.3 54.3 -68.9 -36.6 -6.7 8.9 2.7 141 153 A S H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 -1,-0.2 0.873 111.1 47.1 -66.3 -33.9 -3.3 8.3 4.2 142 154 A I H ><5S+ 0 0 83 -4,-1.9 3,-1.4 3,-0.2 -2,-0.2 0.913 108.9 53.3 -72.2 -42.9 -2.4 11.9 3.4 143 155 A D H 3<5S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.791 113.1 44.8 -61.5 -29.3 -5.7 13.3 4.8 144 156 A N T 3<5S- 0 0 73 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.277 113.8-114.8-102.8 9.6 -5.0 11.5 8.1 145 157 A G T < 5 + 0 0 50 -3,-1.4 2,-1.5 1,-0.2 3,-0.2 0.696 63.8 147.4 69.8 22.0 -1.4 12.5 8.4 146 158 A N >< + 0 0 41 -5,-2.5 4,-2.0 -6,-0.2 -1,-0.2 -0.592 12.4 163.1 -91.2 78.0 -0.1 8.9 8.0 147 159 A E H > + 0 0 143 -2,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.858 67.9 54.2 -68.4 -42.3 3.2 9.8 6.2 148 160 A D H > S+ 0 0 110 1,-0.2 4,-0.8 -3,-0.2 -1,-0.2 0.869 114.3 44.5 -60.7 -36.0 5.1 6.6 6.8 149 161 A L H > S+ 0 0 5 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.874 107.5 57.8 -74.1 -40.0 2.2 4.7 5.3 150 162 A A H X S+ 0 0 6 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.846 97.3 63.9 -61.2 -35.6 1.8 7.2 2.4 151 163 A E H X S+ 0 0 106 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.924 103.8 45.9 -51.3 -53.4 5.4 6.5 1.3 152 164 A I H >< S+ 0 0 64 -4,-0.8 3,-0.5 -3,-0.3 4,-0.3 0.923 115.3 45.6 -58.5 -48.8 4.7 2.9 0.5 153 165 A L H >< S+ 0 0 2 -4,-1.6 3,-1.7 1,-0.2 4,-0.2 0.827 102.7 65.4 -67.7 -32.3 1.4 3.6 -1.4 154 166 A Q H >< S+ 0 0 103 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.854 93.6 60.0 -60.7 -35.7 2.9 6.5 -3.4 155 167 A K T << S+ 0 0 170 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.615 102.4 54.4 -69.9 -10.5 5.3 4.2 -5.2 156 168 A L T < 0 0 82 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.379 360.0 360.0-102.7 0.5 2.3 2.3 -6.5 157 169 A N < 0 0 124 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.788 360.0 360.0 -68.8 360.0 0.7 5.4 -8.0