==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE 06-JAN-95 1ASH . COMPND 2 MOLECULE: HEMOGLOBIN (OXY); . SOURCE 2 ORGANISM_SCIENTIFIC: ASCARIS SUUM; . AUTHOR J.YANG,F.S.MATHEWS,A.P.KLOEK,D.E.GOLDBERG . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 83.7 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 . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 0 0 0 1 0 0 0 0 0 0 2 2 1 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 0 A A > 0 0 53 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-116.8 10.4 1.0 10.5 2 1 A N H > + 0 0 94 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.752 360.0 53.5 -62.2 -33.0 6.7 0.2 9.8 3 2 A K H > S+ 0 0 141 2,-0.2 4,-2.9 3,-0.2 5,-0.3 0.952 110.8 47.9 -69.4 -38.7 6.7 2.0 6.4 4 3 A T H > S+ 0 0 11 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.957 113.9 47.7 -56.9 -47.6 9.7 -0.2 5.4 5 4 A R H X S+ 0 0 68 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.925 112.8 48.6 -58.0 -44.0 7.8 -3.2 6.7 6 5 A E H X S+ 0 0 118 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.929 112.5 46.6 -68.4 -42.2 4.7 -2.1 4.8 7 6 A L H X S+ 0 0 29 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.932 116.0 46.2 -68.0 -41.5 6.5 -1.6 1.5 8 7 A C H X S+ 0 0 0 -4,-2.9 4,-1.9 -5,-0.3 -2,-0.2 0.937 108.6 55.4 -64.0 -44.4 8.3 -4.9 1.8 9 8 A M H < S+ 0 0 69 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.864 109.4 46.9 -57.9 -40.2 5.2 -6.9 2.8 10 9 A K H >< S+ 0 0 111 -4,-1.7 3,-2.1 2,-0.2 4,-0.4 0.895 105.4 55.1 -78.3 -33.1 3.3 -5.8 -0.3 11 10 A S H >< S+ 0 0 6 -4,-1.7 3,-1.5 1,-0.3 -1,-0.2 0.912 104.0 62.7 -64.2 -27.8 6.0 -6.4 -2.9 12 11 A L G >< S+ 0 0 6 -4,-1.9 3,-1.6 1,-0.3 -1,-0.3 0.551 76.8 81.8 -73.4 -0.5 5.9 -9.9 -1.3 13 12 A E G < S+ 0 0 149 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.799 87.9 62.4 -69.7 -16.6 2.3 -10.5 -2.3 14 13 A H G < S+ 0 0 83 -3,-1.5 2,-0.5 -4,-0.4 -1,-0.3 0.438 94.9 61.0 -86.8 1.9 4.0 -11.4 -5.6 15 14 A A S < S- 0 0 2 -3,-1.6 2,-0.3 55,-0.0 -1,-0.1 -0.977 83.6-144.6-130.9 110.1 6.0 -14.3 -4.3 16 15 A K + 0 0 67 -2,-0.5 11,-0.1 6,-0.1 10,-0.1 -0.568 26.5 176.8 -88.3 151.5 3.7 -17.0 -2.9 17 16 A V + 0 0 54 -2,-0.3 -1,-0.1 53,-0.1 2,-0.1 -0.081 52.6 100.5-136.0 22.3 4.4 -19.2 0.1 18 17 A D S S- 0 0 75 1,-0.0 -2,-0.0 2,-0.0 6,-0.0 -0.084 91.0 -83.0 -92.9-156.7 1.1 -21.1 0.2 19 18 A T S S+ 0 0 145 4,-0.1 5,-0.1 -2,-0.1 -3,-0.0 0.712 86.7 108.2 -89.0 -16.7 0.3 -24.5 -1.0 20 19 A S S > S- 0 0 41 1,-0.1 4,-1.4 3,-0.1 5,-0.1 0.169 80.7-109.1 -51.8 177.4 -0.4 -23.8 -4.8 21 20 A N H > S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.824 117.1 65.0 -76.2 -29.2 1.7 -24.8 -7.8 22 21 A E H > S+ 0 0 111 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.926 102.6 45.3 -52.5 -52.4 2.5 -21.1 -8.2 23 22 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.929 109.6 54.2 -62.3 -42.9 4.3 -21.0 -4.9 24 23 A R H X S+ 0 0 145 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.952 113.4 44.6 -57.4 -43.5 6.2 -24.2 -5.7 25 24 A Q H X S+ 0 0 60 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.847 110.7 52.6 -72.5 -37.7 7.4 -22.5 -9.0 26 25 A D H X S+ 0 0 11 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.911 109.8 49.7 -65.5 -37.1 8.2 -19.2 -7.2 27 26 A G H X S+ 0 0 0 -4,-2.8 4,-1.1 -5,-0.2 3,-0.4 0.971 114.2 45.7 -64.1 -45.3 10.4 -21.1 -4.8 28 27 A I H >X S+ 0 0 9 -4,-2.2 4,-2.3 -5,-0.2 3,-0.7 0.945 106.7 57.1 -62.1 -47.3 12.1 -22.9 -7.8 29 28 A D H 3X S+ 0 0 34 -4,-3.1 4,-2.4 1,-0.3 -1,-0.2 0.772 100.6 59.4 -58.3 -25.5 12.6 -19.7 -9.9 30 29 A L H 3X S+ 0 0 3 -4,-1.2 4,-2.2 -3,-0.4 -1,-0.3 0.940 108.1 43.4 -67.8 -44.3 14.6 -18.2 -7.1 31 30 A Y H X + 0 0 25 -4,-2.3 3,-2.4 -5,-0.2 4,-0.5 -0.351 64.0 170.2-130.0 64.3 25.7 -16.5 -9.2 39 38 A P G >4 S+ 0 0 59 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.741 70.8 65.8 -49.5 -29.7 27.6 -19.8 -10.0 40 39 A P G >4 S+ 0 0 81 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.774 95.0 58.7 -61.4 -23.7 29.9 -19.5 -6.9 41 40 A L G X4 S+ 0 0 24 -3,-2.4 3,-1.4 -7,-0.3 4,-0.3 0.754 88.6 74.1 -82.1 -15.9 27.0 -20.0 -4.6 42 41 A R G X< S+ 0 0 58 -3,-0.9 3,-1.9 -4,-0.5 6,-0.2 0.805 82.9 69.9 -65.1 -26.5 26.2 -23.4 -6.1 43 42 A K G < S+ 0 0 122 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.800 87.0 62.6 -67.6 -24.7 29.2 -24.9 -4.4 44 43 A Y G < S+ 0 0 57 -3,-1.4 2,-1.3 -4,-0.3 -1,-0.3 0.689 86.9 86.9 -74.9 -7.3 27.5 -24.6 -1.0 45 44 A F S X> S- 0 0 45 -3,-1.9 3,-2.3 -4,-0.3 4,-0.8 -0.680 84.3-139.0 -99.1 79.7 24.9 -27.0 -2.4 46 45 A K T 34 S- 0 0 166 -2,-1.3 3,-0.3 1,-0.2 -1,-0.2 0.451 80.6 -1.5 -3.8 -83.1 26.4 -30.4 -1.7 47 46 A S T 34 S+ 0 0 94 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.216 124.2 70.6-115.4 34.0 25.9 -32.8 -4.7 48 47 A R T X4 + 0 0 66 -3,-2.3 3,-2.2 -6,-0.2 -2,-0.2 0.239 63.2 121.2-114.8 5.0 24.0 -30.2 -6.9 49 48 A E T 3< S+ 0 0 90 -4,-0.8 -1,-0.1 -3,-0.3 -7,-0.1 0.556 73.5 41.3 -43.6 -30.4 27.1 -28.2 -7.4 50 49 A E T 3 S+ 0 0 158 -3,-0.1 -1,-0.3 -8,-0.1 2,-0.1 0.026 87.6 137.8-117.5 37.3 27.3 -28.3 -11.2 51 50 A Y < - 0 0 44 -3,-2.2 2,-0.2 -9,-0.1 -9,-0.1 -0.424 40.0-151.8 -74.6 149.9 23.6 -27.8 -11.7 52 51 A T > - 0 0 56 -2,-0.1 4,-3.0 1,-0.0 5,-0.2 -0.716 40.5 -94.1-108.3 171.0 22.1 -25.5 -14.3 53 52 A A H > S+ 0 0 14 -2,-0.2 4,-2.6 1,-0.2 -20,-0.1 0.878 129.0 56.7 -51.1 -36.2 18.7 -23.7 -14.1 54 53 A E H > S+ 0 0 153 2,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.912 106.3 44.0 -59.7 -54.8 17.4 -26.8 -15.9 55 54 A D H > S+ 0 0 70 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.918 112.9 55.0 -61.3 -39.1 18.6 -29.3 -13.4 56 55 A V H >< S+ 0 0 0 -4,-3.0 3,-1.0 1,-0.2 6,-0.3 0.944 102.4 57.2 -66.1 -39.4 17.3 -27.0 -10.7 57 56 A Q H 3< S+ 0 0 64 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.908 112.3 37.8 -61.5 -44.6 13.8 -27.0 -12.4 58 57 A N H 3< S+ 0 0 151 -4,-1.7 -1,-0.3 4,-0.0 -2,-0.2 0.485 90.8 95.9 -87.3 -1.2 13.2 -30.8 -12.3 59 58 A D XX - 0 0 34 -3,-1.0 3,-1.7 -4,-1.0 4,-0.6 -0.787 67.3-146.1 -88.3 121.6 14.8 -31.7 -8.9 60 59 A P H 3> S+ 0 0 101 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.659 90.1 75.8 -54.1 -16.2 12.1 -31.9 -6.2 61 60 A F H 3> S+ 0 0 71 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.873 90.8 51.0 -67.7 -36.6 14.6 -30.6 -3.7 62 61 A F H <> S+ 0 0 0 -3,-1.7 4,-2.6 -6,-0.3 -1,-0.2 0.808 102.1 61.1 -76.6 -21.4 14.5 -27.0 -4.9 63 62 A A H X S+ 0 0 21 -4,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.963 113.8 36.6 -65.3 -45.1 10.7 -26.9 -4.7 64 63 A K H X S+ 0 0 138 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.967 119.4 48.0 -71.6 -44.8 11.0 -27.6 -0.9 65 64 A Q H X S+ 0 0 40 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.904 107.2 56.8 -63.1 -37.7 14.1 -25.5 -0.4 66 65 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.896 107.1 49.4 -63.7 -38.8 12.6 -22.6 -2.3 67 66 A Q H X S+ 0 0 42 -4,-1.5 4,-2.6 -5,-0.2 -1,-0.2 0.916 107.9 54.1 -68.5 -36.9 9.7 -22.6 0.0 68 67 A K H X S+ 0 0 108 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.952 115.1 38.9 -61.3 -46.5 12.0 -22.7 3.0 69 68 A I H X S+ 0 0 34 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.886 113.4 53.9 -75.9 -32.5 13.9 -19.6 1.9 70 69 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.951 109.3 50.4 -68.8 -37.4 10.8 -17.7 0.5 71 70 A L H X S+ 0 0 90 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.939 106.6 55.0 -60.6 -44.8 9.1 -18.2 3.9 72 71 A A H X S+ 0 0 14 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.887 108.1 48.5 -60.1 -33.1 12.3 -16.8 5.7 73 72 A C H X S+ 0 0 3 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.901 111.9 49.5 -70.5 -37.6 12.2 -13.6 3.6 74 73 A H H X S+ 0 0 33 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.902 112.5 47.8 -67.4 -37.2 8.5 -13.2 4.4 75 74 A V H X S+ 0 0 38 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.910 107.0 56.8 -70.8 -37.0 9.2 -13.7 8.1 76 75 A L H < S+ 0 0 4 -4,-2.4 4,-0.2 1,-0.2 -2,-0.2 0.911 111.9 40.4 -69.0 -33.9 12.2 -11.2 8.2 77 76 A C H >< S+ 0 0 0 -4,-1.7 3,-0.6 1,-0.2 4,-0.3 0.823 111.5 54.7 -87.4 -18.2 10.2 -8.3 6.9 78 77 A A H 3< S+ 0 0 31 -4,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.771 114.4 44.4 -74.5 -22.9 6.9 -9.1 9.0 79 78 A T T >< S+ 0 0 24 -4,-1.7 3,-1.5 -5,-0.2 7,-0.6 0.445 86.2 97.9 -96.5 6.2 9.2 -9.0 12.1 80 79 A Y T < S+ 0 0 16 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.859 73.6 60.7 -65.3 -34.5 11.1 -5.9 11.1 81 80 A D T 3 S+ 0 0 87 -4,-0.3 2,-0.6 -3,-0.3 -1,-0.3 0.648 103.5 53.7 -73.9 -6.6 9.1 -3.5 13.2 82 81 A D S <> S- 0 0 84 -3,-1.5 4,-2.5 1,-0.1 3,-0.4 -0.877 72.6-169.1-122.6 96.7 10.1 -5.4 16.5 83 82 A R H > S+ 0 0 77 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.775 80.2 60.9 -60.6 -25.7 13.9 -5.4 16.3 84 83 A E H > S+ 0 0 164 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 111.3 39.9 -70.2 -39.3 14.3 -8.0 19.1 85 84 A T H > S+ 0 0 63 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.915 114.7 53.6 -69.5 -42.7 12.3 -10.6 17.2 86 85 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 -7,-0.6 -2,-0.2 0.932 112.5 43.3 -57.0 -48.2 14.0 -9.6 13.9 87 86 A N H X S+ 0 0 35 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.898 112.8 51.8 -69.4 -45.2 17.5 -10.0 15.4 88 87 A A H X S+ 0 0 35 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.892 110.3 49.0 -55.6 -41.9 16.7 -13.2 17.1 89 88 A Y H X S+ 0 0 41 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.920 108.8 52.7 -65.0 -44.0 15.3 -14.7 13.9 90 89 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.922 108.7 51.0 -57.2 -42.2 18.4 -13.7 11.9 91 90 A R H X S+ 0 0 132 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.943 110.0 49.8 -62.9 -40.5 20.6 -15.4 14.5 92 91 A E H X S+ 0 0 95 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.921 106.3 54.9 -67.2 -36.8 18.5 -18.6 14.2 93 92 A L H X S+ 0 0 16 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.900 111.4 46.4 -58.8 -40.3 18.8 -18.4 10.4 94 93 A L H >X S+ 0 0 54 -4,-2.1 4,-2.5 1,-0.2 3,-1.0 0.945 111.5 50.6 -68.0 -41.9 22.6 -18.4 11.0 95 94 A D H 3X S+ 0 0 99 -4,-2.9 4,-1.8 1,-0.3 -2,-0.2 0.860 105.4 57.1 -64.9 -35.1 22.4 -21.2 13.4 96 95 A R H 3X S+ 0 0 128 -4,-2.6 4,-0.5 2,-0.2 -1,-0.3 0.697 110.1 43.3 -72.5 -20.6 20.3 -23.3 11.0 97 96 A H H X<>S+ 0 0 57 -3,-1.0 5,-2.5 -4,-0.8 3,-0.8 0.866 113.5 50.7 -87.2 -43.6 23.0 -23.1 8.3 98 97 A A H ><5S+ 0 0 32 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.831 99.7 68.2 -57.9 -27.2 25.7 -23.7 10.8 99 98 A R H 3<5S+ 0 0 184 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.916 111.8 31.5 -52.6 -49.4 23.7 -26.8 12.0 100 99 A D T <<5S- 0 0 111 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 -0.089 119.9-107.4-104.0 21.8 24.4 -28.4 8.7 101 100 A H T < 5 + 0 0 150 -3,-1.6 2,-1.5 1,-0.2 -3,-0.2 0.759 65.9 148.9 54.9 32.9 27.8 -26.8 8.2 102 101 A V < + 0 0 41 -5,-2.5 2,-0.5 -6,-0.1 -1,-0.2 -0.777 26.6 180.0 -87.9 89.8 26.8 -24.5 5.5 103 102 A H - 0 0 113 -2,-1.5 -9,-0.0 -3,-0.1 -5,-0.0 -0.897 1.8-175.4 -97.5 135.4 29.4 -21.9 6.6 104 103 A M - 0 0 42 -2,-0.5 5,-0.1 -60,-0.0 -2,-0.0 -0.997 30.5-108.6-134.2 133.0 29.4 -18.8 4.4 105 104 A P >> - 0 0 65 0, 0.0 3,-2.8 0, 0.0 4,-0.6 -0.267 39.5-114.1 -54.2 141.9 31.7 -15.6 4.3 106 105 A P H >> S+ 0 0 57 0, 0.0 4,-1.0 0, 0.0 3,-0.7 0.812 112.9 66.8 -61.7 -23.3 29.7 -12.7 5.7 107 106 A E H 3> S+ 0 0 140 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.656 89.4 65.0 -76.0 -3.1 29.7 -11.0 2.2 108 107 A V H <> S+ 0 0 21 -3,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.866 97.3 55.2 -80.7 -29.3 27.5 -13.8 0.7 109 108 A W H X S+ 0 0 79 -4,-1.0 4,-1.1 1,-0.2 3,-0.6 0.937 109.7 53.6 -63.6 -46.1 25.0 -9.1 1.5 111 110 A D H 3X S+ 0 0 66 -4,-1.9 4,-2.3 1,-0.2 3,-0.5 0.882 98.2 66.4 -59.9 -30.1 25.1 -10.6 -2.1 112 111 A F H 3X S+ 0 0 30 -4,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.914 96.2 51.9 -56.2 -49.5 21.9 -12.4 -1.3 113 112 A W H X S+ 0 0 5 -4,-2.2 3,-0.6 1,-0.2 4,-0.5 0.878 112.7 45.6 -50.6 -47.1 14.4 -12.1 -8.5 120 119 A L H >X S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 4,-1.6 0.912 103.1 65.6 -68.5 -33.9 11.5 -10.0 -7.2 121 120 A G H 3< S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.751 99.8 51.8 -58.9 -26.4 12.0 -7.5 -10.1 122 121 A K H << S+ 0 0 173 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.675 111.4 48.4 -77.9 -19.8 11.1 -10.3 -12.4 123 122 A K H << S- 0 0 65 -3,-1.7 2,-0.3 -4,-0.5 -2,-0.2 0.745 129.6 -12.8 -91.4 -25.0 7.9 -10.9 -10.4 124 123 A T S < S- 0 0 37 -4,-1.6 2,-0.7 2,-0.0 -1,-0.3 -0.958 77.6 -91.3-165.5 166.1 6.7 -7.2 -10.1 125 124 A T - 0 0 136 -2,-0.3 2,-0.4 -3,-0.1 -4,-0.1 -0.779 38.6-149.6 -95.9 120.5 8.1 -3.8 -10.8 126 125 A L - 0 0 12 -2,-0.7 2,-0.2 -9,-0.1 -5,-0.0 -0.727 8.8-145.4 -86.9 133.9 9.6 -2.4 -7.7 127 126 A D > - 0 0 84 -2,-0.4 4,-2.5 1,-0.1 5,-0.3 -0.594 32.1 -97.2 -93.1 171.1 9.5 1.3 -7.4 128 127 A E H > S+ 0 0 120 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.835 122.7 52.5 -60.0 -39.6 12.3 3.3 -5.8 129 128 A P H > S+ 0 0 65 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.957 112.8 45.2 -56.7 -47.7 10.6 3.5 -2.3 130 129 A T H > S+ 0 0 5 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.888 114.0 48.6 -65.7 -38.3 10.2 -0.3 -2.3 131 130 A K H X S+ 0 0 72 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.928 110.2 53.0 -65.8 -40.9 13.7 -0.8 -3.5 132 131 A Q H X S+ 0 0 109 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.955 108.0 50.6 -56.2 -49.1 14.8 1.6 -0.9 133 132 A A H X S+ 0 0 3 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.883 108.6 50.4 -61.9 -39.1 13.0 -0.5 1.8 134 133 A W H X S+ 0 0 5 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.909 107.8 55.2 -66.5 -34.9 14.5 -3.8 0.8 135 134 A H H X S+ 0 0 71 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.928 107.2 49.7 -63.1 -43.7 18.0 -2.2 0.9 136 135 A E H X S+ 0 0 51 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.824 112.7 45.3 -64.4 -37.7 17.3 -1.1 4.5 137 136 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.939 114.5 50.8 -71.6 -41.7 16.2 -4.7 5.6 138 137 A G H X S+ 0 0 6 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.911 110.5 48.7 -57.3 -46.5 19.2 -6.1 3.8 139 138 A R H X S+ 0 0 122 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.924 113.4 45.2 -63.1 -46.1 21.5 -3.7 5.5 140 139 A E H X S+ 0 0 30 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.846 112.4 51.3 -68.8 -36.1 20.2 -4.4 9.0 141 140 A F H X S+ 0 0 7 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.902 109.0 52.6 -64.1 -43.2 20.2 -8.2 8.4 142 141 A A H X S+ 0 0 20 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.913 107.8 49.3 -62.5 -44.5 23.8 -8.0 7.3 143 142 A K H < S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.931 114.7 46.2 -62.0 -41.3 25.0 -6.1 10.3 144 143 A E H >< S+ 0 0 24 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.840 109.7 51.2 -66.6 -40.7 23.2 -8.7 12.6 145 144 A I H 3< S+ 0 0 11 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.898 97.7 72.2 -63.6 -33.9 24.5 -11.6 10.8 146 145 A N T 3< 0 0 109 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.284 360.0 360.0 -69.7 10.0 27.8 -10.0 11.2 147 146 A K < 0 0 173 -3,-1.4 -2,-0.1 0, 0.0 -3,-0.1 -0.028 360.0 360.0-133.5 360.0 27.7 -10.9 14.9