==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE 27-FEB-92 1MYH . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR S.J.SMERDON,T.J.OLDFIELD,A.J.WILKINSON,Z.DAUTER,K.PETRATOS, . 306 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 2 0 0 0 0 0 0 2 1 2 1 1 2 1 0 0 0 0 2 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 1 A G 0 0 104 0, 0.0 2,-0.5 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0-113.3 49.4 -11.1 27.7 2 2 A L - 0 0 23 77,-0.1 128,-0.0 132,-0.0 0, 0.0 -0.980 360.0-122.0-121.1 136.7 52.9 -12.2 28.9 3 3 A S > - 0 0 67 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.018 30.7-101.6 -64.2 170.5 55.3 -13.1 26.1 4 4 A D H > S+ 0 0 149 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.862 127.1 51.2 -61.4 -30.5 56.7 -16.6 26.1 5 5 A G H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.845 104.8 52.7 -72.8 -47.2 59.9 -14.9 27.6 6 6 A E H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.815 109.3 52.5 -55.8 -57.0 58.0 -13.2 30.4 7 7 A W H X S+ 0 0 19 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.786 108.5 47.5 -52.9 -46.4 56.5 -16.6 31.3 8 8 A Q H X S+ 0 0 83 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.907 110.9 52.6 -66.8 -36.6 59.9 -18.4 31.5 9 9 A L H X S+ 0 0 56 -4,-1.7 4,-1.8 2,-0.2 3,-0.5 0.965 111.6 47.8 -56.4 -48.7 61.2 -15.4 33.7 10 10 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.3 5,-0.2 0.937 112.7 47.4 -55.5 -53.2 58.1 -16.0 35.9 11 11 A L H < S+ 0 0 29 -4,-2.7 4,-0.5 2,-0.2 -1,-0.3 0.716 108.0 57.2 -70.1 -23.2 58.8 -19.7 36.1 12 12 A N H >X S+ 0 0 92 -4,-1.7 3,-0.7 -3,-0.5 4,-0.6 0.940 109.7 41.7 -75.0 -50.4 62.4 -19.1 36.9 13 13 A V H >X S+ 0 0 4 -4,-1.8 4,-1.3 1,-0.2 3,-1.3 0.803 110.3 58.6 -53.0 -51.6 61.8 -17.0 40.0 14 14 A W H 3X S+ 0 0 8 -4,-2.5 4,-2.9 1,-0.3 -1,-0.2 0.733 92.4 67.4 -54.6 -26.7 59.0 -19.3 41.1 15 15 A G H <4 S+ 0 0 32 -3,-0.7 4,-0.5 -4,-0.5 -1,-0.3 0.922 101.6 51.1 -63.4 -33.0 61.7 -22.2 41.1 16 16 A K H XX S+ 0 0 81 -3,-1.3 3,-1.5 -4,-0.6 4,-0.8 0.940 107.7 49.1 -65.8 -48.4 63.1 -20.2 44.1 17 17 A V H >< S+ 0 0 1 -4,-1.3 3,-1.6 1,-0.3 7,-0.2 0.919 106.0 59.4 -59.8 -47.3 59.8 -20.1 45.9 18 18 A E T 3< S+ 0 0 108 -4,-2.9 3,-0.4 1,-0.3 -1,-0.3 0.578 95.3 60.9 -64.6 -14.3 59.4 -23.8 45.3 19 19 A A T <4 S+ 0 0 80 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.680 125.3 17.6 -81.1 -17.9 62.7 -24.7 47.2 20 20 A D S S+ 0 0 31 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.957 76.4 46.5 -68.2 -55.1 57.3 -22.7 50.1 22 22 A A H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.829 114.9 48.5 -54.8 -33.8 56.3 -22.5 53.8 23 23 A G H > S+ 0 0 5 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.935 115.3 42.3 -70.5 -45.3 59.0 -19.9 54.5 24 24 A H H X S+ 0 0 5 -4,-2.2 4,-2.1 -7,-0.2 -2,-0.2 0.923 114.4 54.1 -65.7 -44.3 58.1 -17.7 51.6 25 25 A G H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.875 107.9 49.8 -52.4 -51.2 54.4 -18.2 52.5 26 26 A Q H X S+ 0 0 27 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.925 110.8 48.7 -64.8 -43.4 54.9 -17.1 56.1 27 27 A E H X S+ 0 0 54 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.815 106.5 54.6 -66.3 -32.7 56.8 -13.9 55.1 28 28 A V H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.986 109.8 48.4 -67.9 -38.8 54.3 -12.8 52.6 29 29 A L H X S+ 0 0 2 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.918 112.3 46.5 -62.9 -47.7 51.5 -13.0 55.2 30 30 A I H X S+ 0 0 15 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.933 112.4 53.7 -56.7 -40.5 53.5 -11.1 57.9 31 31 A R H X S+ 0 0 86 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.2 0.922 111.4 44.7 -52.1 -48.2 54.3 -8.6 55.1 32 32 A L H X S+ 0 0 8 -4,-2.2 4,-2.3 1,-0.2 7,-0.2 0.929 115.4 47.3 -60.9 -53.7 50.6 -8.1 54.3 33 33 A F H < S+ 0 0 0 -4,-3.2 7,-0.2 1,-0.2 -2,-0.2 0.760 115.5 42.1 -66.6 -35.1 49.6 -7.9 57.9 34 34 A K H < S+ 0 0 92 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.728 118.6 46.8 -87.3 -16.8 52.1 -5.4 59.0 35 35 A G H < S+ 0 0 44 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.830 131.9 15.1 -87.4 -32.4 51.7 -3.3 55.8 36 36 A H >< - 0 0 28 -4,-2.3 3,-1.6 -5,-0.1 -1,-0.3 -0.685 69.1-175.5-150.9 76.4 47.9 -3.2 55.8 37 37 A P G >> S+ 0 0 65 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.616 75.5 74.5 -48.3 -31.1 46.7 -4.3 59.2 38 38 A E G 34 S+ 0 0 79 1,-0.3 4,-0.3 2,-0.2 3,-0.1 0.634 87.3 64.6 -54.1 -29.6 42.9 -4.2 58.2 39 39 A T G X4 S+ 0 0 5 -3,-1.6 3,-0.7 1,-0.2 -1,-0.3 0.735 90.4 65.9 -68.4 -29.0 43.6 -7.4 56.3 40 40 A L G X4 S+ 0 0 12 -3,-1.2 3,-3.6 1,-0.2 6,-0.3 0.915 90.4 62.6 -63.8 -41.0 44.3 -9.0 59.6 41 41 A E G 3< S+ 0 0 119 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.615 90.8 68.3 -62.5 -15.3 40.6 -8.5 60.6 42 42 A K G < S+ 0 0 82 -3,-0.7 2,-0.6 -4,-0.3 -1,-0.3 0.578 90.7 71.8 -79.4 -8.0 39.6 -10.8 57.8 43 43 A F X> + 0 0 53 -3,-3.6 3,-2.6 1,-0.1 4,-1.4 -0.860 52.3 179.8-115.3 102.8 41.3 -13.7 59.6 44 44 A D T 34 S+ 0 0 140 -2,-0.6 3,-0.4 1,-0.3 4,-0.4 0.917 88.6 58.4 -50.9 -42.1 39.4 -15.0 62.7 45 45 A R T 34 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.1 15,-0.1 0.576 115.8 29.1 -62.0 -24.9 42.2 -17.4 62.9 46 46 A F T X4 S+ 0 0 0 -3,-2.6 3,-1.6 -6,-0.3 -1,-0.2 0.244 86.9 96.9-126.6 2.9 45.0 -14.8 63.2 47 47 A K T 3< S+ 0 0 70 -4,-1.4 -2,-0.1 -3,-0.4 -3,-0.1 0.710 76.6 69.2 -64.4 -19.8 43.4 -11.8 64.8 48 48 A H T 3 S+ 0 0 112 -4,-0.4 2,-0.6 2,-0.0 -1,-0.3 0.664 78.4 101.3 -65.2 -23.4 44.8 -13.2 68.2 49 49 A L < + 0 0 10 -3,-1.6 -3,-0.1 1,-0.2 3,-0.1 -0.661 44.9 172.6 -77.9 115.9 48.3 -12.2 66.7 50 50 A K + 0 0 168 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.495 58.6 18.6-101.9 -5.3 49.4 -8.9 68.3 51 51 A S S > S- 0 0 38 1,-0.1 4,-3.3 0, 0.0 -1,-0.1 -0.987 76.9-103.1-154.0 169.1 52.9 -8.6 67.0 52 52 A E H > S+ 0 0 85 -2,-0.3 4,-5.7 1,-0.2 5,-0.3 0.889 121.8 51.6 -53.4 -45.7 55.4 -9.8 64.3 53 53 A D H > S+ 0 0 126 2,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.903 109.9 46.7 -57.5 -47.0 57.0 -12.0 66.9 54 54 A E H > S+ 0 0 82 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.943 115.3 50.0 -63.4 -40.3 53.7 -13.5 67.8 55 55 A M H >< S+ 0 0 0 -4,-3.3 3,-0.7 1,-0.2 -2,-0.3 0.929 110.0 49.1 -63.6 -48.9 53.2 -13.8 63.9 56 56 A K H 3< S+ 0 0 115 -4,-5.7 -1,-0.2 1,-0.2 -2,-0.2 0.784 110.4 51.0 -61.4 -24.3 56.6 -15.4 63.5 57 57 A A H 3< S+ 0 0 80 -4,-1.9 2,-0.4 -5,-0.3 -1,-0.2 0.774 83.8 109.5 -81.8 -19.7 55.9 -18.0 66.3 58 58 A S S+ 0 0 142 -2,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.838 90.7 48.6 -65.6 -40.9 52.8 -22.6 63.4 60 60 A D H > S+ 0 0 72 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.797 103.6 57.6 -68.6 -32.3 49.3 -22.1 61.7 61 61 A L H > S+ 0 0 0 2,-0.2 4,-2.6 -6,-0.2 5,-0.3 0.936 111.0 48.8 -61.2 -42.2 50.2 -18.7 60.1 62 62 A K H X S+ 0 0 83 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.876 110.0 47.8 -65.4 -42.3 53.0 -20.8 58.5 63 63 A K H X S+ 0 0 110 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.882 112.5 48.8 -67.1 -39.0 50.8 -23.6 57.3 64 64 A H H X S+ 0 0 36 -4,-1.7 4,-2.2 2,-0.2 5,-0.3 0.830 107.8 55.9 -66.4 -42.6 48.3 -21.1 55.8 65 65 A G H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.938 106.6 50.3 -59.8 -43.7 51.3 -19.3 54.1 66 66 A N H X S+ 0 0 61 -4,-1.6 4,-2.7 -5,-0.3 5,-0.3 0.972 109.9 51.6 -63.5 -42.4 52.2 -22.6 52.5 67 67 A T H X S+ 0 0 83 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.871 108.1 50.4 -57.8 -52.0 48.5 -23.0 51.3 68 68 A V H X S+ 0 0 36 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.894 117.1 40.0 -56.6 -55.5 48.4 -19.5 49.7 69 69 A L H X S+ 0 0 3 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.862 110.6 55.5 -77.2 -28.5 51.6 -20.1 47.7 70 70 A T H X S+ 0 0 87 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.793 114.2 42.7 -60.8 -44.4 51.0 -23.7 46.8 71 71 A A H X S+ 0 0 45 -4,-1.2 4,-1.1 -5,-0.3 -2,-0.2 0.931 112.9 51.7 -68.9 -46.9 47.7 -22.6 45.2 72 72 A L H X S+ 0 0 14 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.902 109.4 52.1 -65.9 -31.7 49.2 -19.4 43.6 73 73 A G H X S+ 0 0 3 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.815 103.9 54.7 -74.1 -29.8 52.0 -21.6 42.0 74 74 A G H < S+ 0 0 32 -4,-1.3 4,-0.3 -3,-0.2 -1,-0.2 0.873 113.1 45.8 -72.6 -26.6 49.5 -24.1 40.4 75 75 A I H ><>S+ 0 0 3 -4,-1.1 3,-1.7 -3,-0.2 5,-0.5 0.937 111.2 49.6 -72.3 -53.8 47.9 -21.1 38.8 76 76 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.821 103.2 62.7 -54.3 -41.4 51.2 -19.5 37.7 77 77 A K T 3<5S+ 0 0 85 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.572 92.9 62.3 -55.2 -28.6 52.2 -22.8 36.2 78 78 A K T X 5S- 0 0 80 -3,-1.7 3,-1.6 -4,-0.3 -1,-0.3 0.463 99.3-139.0 -78.9 -13.9 49.3 -22.7 33.7 79 79 A K T < 5S- 0 0 77 -3,-1.9 -77,-0.1 1,-0.3 -3,-0.1 0.867 75.4 -32.0 42.9 59.3 50.8 -19.6 32.2 80 80 A G T 3 + 0 0 5 -2,-0.5 4,-2.9 1,-0.1 3,-0.4 -0.028 19.7 125.3-109.5 12.8 44.3 -21.2 34.8 83 83 A E H > S+ 0 0 118 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.955 78.6 43.2 -48.4 -58.3 40.5 -21.0 34.5 84 84 A A H 4 S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.756 115.5 49.0 -64.6 -28.9 39.9 -24.2 36.5 85 85 A E H > S+ 0 0 61 -3,-0.4 4,-0.6 1,-0.1 -2,-0.2 0.863 113.2 47.7 -79.4 -39.3 42.4 -23.3 39.2 86 86 A L H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.724 95.2 71.0 -74.2 -27.4 41.0 -19.7 39.6 87 87 A T H X S+ 0 0 45 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.952 98.7 43.2 -57.4 -55.3 37.2 -20.3 39.9 88 88 A P H > S+ 0 0 63 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.852 114.1 54.2 -56.5 -34.5 36.9 -21.9 43.3 89 89 A L H X S+ 0 0 48 -4,-0.6 4,-2.5 2,-0.2 5,-0.2 0.940 110.5 45.5 -65.2 -47.6 39.4 -19.4 44.6 90 90 A A H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 5,-0.2 0.793 112.2 53.2 -67.8 -32.4 37.2 -16.6 43.3 91 91 A Q H X S+ 0 0 95 -4,-3.0 4,-3.5 2,-0.2 5,-0.4 0.890 112.8 41.1 -63.7 -54.0 34.2 -18.3 44.7 92 92 A S H X>S+ 0 0 23 -4,-3.0 5,-2.8 1,-0.2 4,-2.5 0.936 118.5 45.9 -65.1 -42.0 35.5 -18.7 48.3 93 93 A H H <5S+ 0 0 49 -4,-2.5 6,-4.5 -5,-0.3 -1,-0.2 0.811 120.6 37.4 -69.7 -31.6 37.1 -15.3 48.4 94 94 A A H <5S+ 0 0 12 -4,-1.1 -2,-0.2 4,-0.2 -3,-0.2 0.911 130.2 29.6 -82.7 -53.2 34.1 -13.5 47.0 95 95 A T H <5S+ 0 0 73 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.642 132.6 20.0 -93.1 -15.9 31.4 -15.6 48.7 96 96 A K T <5S+ 0 0 132 -4,-2.5 -3,-0.2 -5,-0.4 -4,-0.1 0.686 129.8 30.6-116.1 -40.9 32.8 -16.7 51.9 97 97 A H S > - 0 0 31 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.287 22.2-119.2 -61.9 149.8 37.9 -6.9 48.2 101 101 A V H >> S+ 0 0 44 51,-0.3 3,-2.8 1,-0.3 4,-1.6 0.888 112.1 66.7 -59.9 -40.1 40.1 -6.9 45.1 102 102 A K H 3> S+ 0 0 88 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.813 96.2 57.6 -51.0 -27.4 42.2 -4.1 46.5 103 103 A Y H <> S+ 0 0 39 -3,-1.7 4,-1.6 2,-0.2 -1,-0.3 0.756 101.7 55.3 -68.5 -28.5 43.2 -6.6 49.1 104 104 A L H < + 0 0 17 -4,-1.9 3,-0.6 -5,-0.2 4,-0.4 -0.257 56.9 148.3-135.7 53.9 66.4 -12.8 45.9 120 120 A P G > S+ 0 0 80 0, 0.0 3,-1.0 0, 0.0 -3,-0.1 0.894 82.5 52.7 -53.7 -38.0 67.8 -9.4 44.7 121 121 A G G 3 S+ 0 0 73 1,-0.3 3,-0.3 2,-0.1 -2,-0.1 0.912 114.6 38.2 -59.8 -46.2 70.2 -11.4 42.5 122 122 A D G < S+ 0 0 95 -3,-0.6 -1,-0.3 1,-0.2 -106,-0.1 0.233 112.1 62.4 -89.9 -1.5 67.6 -13.5 40.9 123 123 A F < + 0 0 1 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.1 -0.510 68.5 152.9-135.6 66.0 65.0 -10.8 40.6 124 124 A G > - 0 0 36 -3,-0.3 4,-3.0 1,-0.0 3,-0.2 0.135 64.6 -65.5 -81.1-166.8 66.3 -8.0 38.4 125 125 A A H > S+ 0 0 87 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.888 135.2 44.2 -51.5 -39.0 64.6 -5.3 36.2 126 126 A D H > S+ 0 0 130 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.919 113.1 45.2 -80.1 -39.5 63.3 -8.0 34.0 127 127 A A H > S+ 0 0 10 2,-0.2 4,-2.8 -3,-0.2 5,-0.3 0.833 113.1 54.5 -67.6 -46.8 62.0 -10.7 36.5 128 128 A Q H X S+ 0 0 75 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.906 110.9 45.3 -47.2 -57.3 60.4 -7.8 38.4 129 129 A G H X S+ 0 0 34 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.883 114.5 47.7 -52.3 -52.6 58.5 -6.8 35.1 130 130 A A H X S+ 0 0 1 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.899 114.5 45.7 -55.1 -60.2 57.5 -10.4 34.3 131 131 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.773 109.5 53.8 -59.7 -42.1 56.2 -11.1 37.9 132 132 A S H X S+ 0 0 44 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.918 113.1 43.0 -65.6 -38.2 54.3 -7.9 38.3 133 133 A K H X S+ 0 0 71 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.853 109.2 57.7 -74.0 -36.9 52.4 -8.5 35.0 134 134 A A H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.911 112.9 43.0 -61.9 -38.3 51.9 -12.3 36.0 135 135 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.870 110.1 52.3 -75.8 -36.7 50.1 -10.9 39.2 136 136 A E H X S+ 0 0 82 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.861 108.7 52.8 -66.0 -37.1 48.1 -8.2 37.6 137 137 A L H X S+ 0 0 46 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.931 110.7 47.4 -55.4 -52.8 46.9 -10.9 35.2 138 138 A F H X S+ 0 0 19 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.864 113.8 47.4 -54.5 -47.9 45.9 -13.0 38.2 139 139 A R H X S+ 0 0 52 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.895 111.0 50.7 -60.6 -44.0 44.2 -9.9 39.8 140 140 A N H X S+ 0 0 97 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.900 112.1 47.3 -57.9 -48.5 42.3 -9.0 36.6 141 141 A D H X S+ 0 0 54 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.735 112.3 48.6 -67.6 -35.9 41.0 -12.5 36.2 142 142 A M H >X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 3,-0.9 0.961 110.9 52.2 -66.5 -54.1 39.9 -12.7 39.9 143 143 A A H 3X S+ 0 0 29 -4,-3.0 4,-2.2 1,-0.3 -2,-0.2 0.888 110.1 47.5 -42.7 -58.2 38.2 -9.3 39.6 144 144 A A H 3X S+ 0 0 42 -4,-2.3 4,-1.6 1,-0.2 -1,-0.3 0.786 110.0 51.2 -63.1 -25.7 36.2 -10.5 36.5 145 145 A K H <>S+ 0 0 1 -4,-2.1 5,-2.5 2,-0.2 3,-1.4 0.983 106.6 49.8 -50.9 -69.0 34.0 -11.5 41.0 147 147 A K H 3<5S+ 0 0 134 -4,-2.2 3,-0.4 1,-0.3 -2,-0.2 0.771 111.7 50.0 -42.9 -47.6 31.9 -9.3 38.6 148 148 A E H 3<5S+ 0 0 148 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.549 103.0 57.8 -68.8 -25.4 30.3 -12.5 37.1 149 149 A L T <<5S- 0 0 56 -3,-1.4 -1,-0.2 -4,-1.3 -2,-0.2 0.196 123.8-110.4 -88.4 8.2 29.4 -14.0 40.6 150 150 A G T 5S+ 0 0 66 -3,-0.4 -3,-0.2 1,-0.2 2,-0.2 0.616 73.7 148.2 66.9 16.5 27.6 -10.7 40.8 151 151 A F < - 0 0 86 -5,-2.5 -1,-0.2 -6,-0.3 -2,-0.2 -0.508 58.6 -42.5 -89.5 148.2 30.2 -9.7 43.4 152 152 A Q 0 0 109 1,-0.3 -51,-0.3 -2,-0.2 -1,-0.2 0.453 360.0 360.0 -6.2 81.8 31.7 -6.3 44.3 153 153 A G 0 0 81 -3,-0.2 -1,-0.3 -6,-0.1 -9,-0.1 -0.293 360.0 360.0 131.7 360.0 32.4 -4.6 41.0 154 !* 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 0.0 155 1 B G 0 0 104 0, 0.0 2,-0.4 0, 0.0 133,-0.1 0.000 360.0 360.0 360.0-127.1 50.2 20.3 17.5 156 2 B L - 0 0 23 77,-0.1 2,-0.0 1,-0.1 128,-0.0 -0.765 360.0-133.7 -93.8 134.8 53.5 21.9 16.8 157 3 B S > - 0 0 62 -2,-0.4 4,-2.6 1,-0.1 5,-0.3 -0.172 34.4 -99.7 -72.2 171.8 55.6 22.8 19.8 158 4 B D H > S+ 0 0 125 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.832 126.0 52.8 -66.7 -26.9 57.1 26.3 19.8 159 5 B G H > S+ 0 0 41 2,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.733 105.9 51.4 -80.3 -33.6 60.4 24.7 18.7 160 6 B E H >> S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 3,-0.7 0.944 108.6 53.0 -66.0 -50.5 58.8 22.9 15.8 161 7 B W H 3X S+ 0 0 14 -4,-2.6 4,-3.0 1,-0.3 5,-0.2 0.915 109.9 49.7 -45.5 -48.4 57.2 26.3 14.7 162 8 B Q H 3X S+ 0 0 82 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.3 0.925 108.1 48.8 -58.1 -47.5 60.7 27.8 14.8 163 9 B L H X S+ 0 0 119 -4,-2.2 3,-0.9 -5,-0.2 4,-0.6 0.925 110.0 39.7 -66.1 -52.5 63.7 28.9 9.8 167 13 B V H >X S+ 0 0 5 -4,-2.1 3,-1.4 1,-0.2 4,-1.1 0.855 108.1 62.2 -58.1 -49.5 63.6 26.8 6.6 168 14 B W H 3X S+ 0 0 10 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.709 91.9 67.3 -48.8 -25.8 60.8 29.0 5.1 169 15 B G H < S+ 0 0 4 -4,-1.1 3,-1.7 1,-0.3 7,-0.2 0.881 107.3 56.9 -63.5 -44.5 62.2 29.8 0.4 172 18 B E H 3< S+ 0 0 97 -4,-1.9 3,-0.4 1,-0.3 -1,-0.3 0.561 93.9 66.5 -69.4 -16.7 61.7 33.5 0.9 173 19 B A H << S+ 0 0 76 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.665 124.7 11.5 -78.7 -18.9 65.1 34.1 -0.5 174 20 B D S S+ 0 0 29 -3,-0.4 4,-2.9 1,-0.2 5,-0.2 0.984 77.5 45.8 -60.8 -53.8 60.0 32.5 -3.9 176 22 B A H > S+ 0 0 25 2,-0.2 4,-3.7 1,-0.2 5,-0.2 0.883 112.6 49.9 -58.4 -31.0 59.4 32.1 -7.7 177 23 B G H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.931 116.2 42.3 -70.5 -42.5 62.3 29.5 -8.3 178 24 B H H X S+ 0 0 5 -4,-1.6 4,-1.9 -7,-0.2 -1,-0.2 0.894 114.9 50.5 -59.7 -53.7 61.0 27.4 -5.4 179 25 B G H X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.892 111.1 50.5 -57.1 -50.3 57.3 27.9 -6.5 180 26 B Q H X S+ 0 0 37 -4,-3.7 4,-2.4 1,-0.2 -2,-0.2 0.888 110.9 47.1 -60.5 -48.2 58.3 26.9 -10.1 181 27 B E H X S+ 0 0 37 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.865 108.5 54.9 -64.9 -33.4 60.2 23.6 -9.1 182 28 B V H X S+ 0 0 4 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.979 109.9 47.3 -58.8 -49.0 57.3 22.5 -6.7 183 29 B L H >X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.3 3,-0.5 0.861 112.1 49.3 -57.1 -57.2 54.9 22.7 -9.6 184 30 B I H 3X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.3 -1,-0.3 0.856 112.6 48.2 -50.4 -49.2 57.2 20.9 -11.9 185 31 B R H 3X S+ 0 0 73 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.3 0.863 111.1 50.1 -57.1 -39.1 57.6 18.2 -9.3 186 32 B L H < - 0 0 28 -4,-2.3 3,-1.9 -5,-0.1 4,-0.3 -0.797 67.0-180.0-138.0 76.6 51.3 12.9 -10.6 191 37 B P G >> S+ 0 0 78 0, 0.0 3,-1.5 0, 0.0 4,-0.6 0.750 77.3 71.0 -55.9 -24.3 50.6 14.0 -14.2 192 38 B E G 34 S+ 0 0 64 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.717 88.1 62.9 -61.0 -31.7 46.8 13.7 -13.3 193 39 B T G X4 S+ 0 0 4 -3,-1.9 3,-0.6 -7,-0.2 -1,-0.3 0.721 93.6 64.2 -66.2 -22.6 47.2 16.9 -11.2 194 40 B L G X4 S+ 0 0 22 -3,-1.5 3,-2.8 -4,-0.3 6,-0.3 0.862 89.3 67.2 -65.9 -38.3 48.1 18.6 -14.5 195 41 B E G 3< S+ 0 0 135 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.718 90.2 64.2 -53.5 -34.7 44.6 17.9 -15.7 196 42 B K G < S+ 0 0 84 -3,-0.6 2,-0.6 -4,-0.5 -1,-0.3 0.554 89.7 73.1 -71.5 -11.9 43.3 20.3 -13.1 197 43 B F X> - 0 0 47 -3,-2.8 3,-1.6 1,-0.2 4,-1.2 -0.907 51.6-177.0-108.2 104.8 45.1 23.4 -14.7 198 44 B D G >4 S+ 0 0 131 -2,-0.6 3,-1.4 1,-0.3 4,-0.4 0.962 87.1 60.4 -57.4 -44.9 43.5 24.6 -17.9 199 45 B R G 34 S+ 0 0 113 1,-0.3 -1,-0.3 2,-0.1 15,-0.1 0.582 114.1 30.7 -53.4 -21.2 46.2 27.2 -18.0 200 46 B F G X4 S+ 0 0 1 -3,-1.6 3,-1.9 -6,-0.3 -1,-0.3 0.366 82.3 103.7-127.2 4.5 49.1 24.6 -18.1 201 47 B K T << S+ 0 0 88 -3,-1.4 -2,-0.1 -4,-1.2 -3,-0.1 0.760 75.8 67.0 -62.4 -19.8 47.5 21.6 -20.0 202 48 B H T 3 S+ 0 0 107 -4,-0.4 2,-0.5 6,-0.0 -1,-0.3 0.717 76.5 101.7 -61.0 -28.8 49.5 22.8 -23.1 203 49 B L < + 0 0 12 -3,-1.9 3,-0.1 1,-0.1 -3,-0.1 -0.553 42.3 172.2 -71.1 111.9 53.0 21.9 -21.3 204 50 B K + 0 0 174 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.516 58.5 31.5-102.1 -5.5 54.2 18.6 -22.7 205 51 B S S > S- 0 0 46 1,-0.1 4,-3.6 0, 0.0 5,-0.2 -0.974 75.6-114.1-151.5 157.5 57.5 18.5 -21.1 206 52 B E H > S+ 0 0 71 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.874 121.3 54.1 -52.1 -44.9 59.6 19.4 -18.1 207 53 B D H > S+ 0 0 126 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.920 108.5 45.8 -53.7 -49.3 61.4 21.7 -20.6 208 54 B E H > S+ 0 0 81 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.945 112.1 54.3 -63.1 -39.5 58.2 23.4 -21.7 209 55 B M H < S+ 0 0 13 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.907 109.2 47.4 -58.5 -42.1 57.4 23.6 -18.0 210 56 B K H < S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 110.4 51.5 -70.1 -32.0 60.8 25.4 -17.4 211 57 B A H < S+ 0 0 83 -4,-2.5 2,-0.4 -5,-0.2 -1,-0.2 0.792 85.2 106.7 -73.1 -27.2 60.3 27.8 -20.3 212 58 B S X - 0 0 17 -4,-1.8 4,-1.3 -5,-0.2 3,-0.3 -0.397 48.8-170.2 -62.2 105.8 56.8 28.9 -19.0 213 59 B E H > S+ 0 0 160 -2,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.744 88.9 50.6 -66.8 -34.2 56.9 32.3 -17.5 214 60 B D H > S+ 0 0 71 2,-0.2 4,-1.6 3,-0.2 -1,-0.2 0.770 102.5 57.5 -80.8 -22.8 53.3 31.9 -16.2 215 61 B L H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.906 110.4 48.6 -66.4 -35.4 54.0 28.5 -14.5 216 62 B K H X S+ 0 0 76 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.935 109.2 50.0 -67.1 -53.9 56.7 30.5 -12.6 217 63 B K H X S+ 0 0 129 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.923 113.1 46.5 -60.0 -38.3 54.3 33.3 -11.7 218 64 B H H X S+ 0 0 36 -4,-1.6 4,-2.7 2,-0.3 -2,-0.2 0.872 108.2 53.5 -70.5 -50.0 51.7 30.8 -10.4 219 65 B G H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 5,-0.3 0.943 107.6 56.6 -58.2 -37.4 54.4 28.7 -8.3 220 66 B N H X S+ 0 0 60 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.967 109.7 43.3 -54.7 -51.7 55.1 32.4 -6.9 221 67 B T H X S+ 0 0 70 -4,-1.6 4,-1.4 1,-0.3 -1,-0.2 0.831 110.4 56.1 -61.0 -49.5 51.4 32.7 -5.8 222 68 B V H X S+ 0 0 39 -4,-2.7 4,-2.0 1,-0.2 -1,-0.3 0.899 115.1 33.9 -55.3 -62.5 51.2 29.3 -4.4 223 69 B L H X S+ 0 0 5 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.810 112.6 60.2 -74.5 -31.6 54.2 29.7 -1.9 224 70 B T H X S+ 0 0 88 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.865 113.3 40.2 -57.0 -37.0 53.6 33.4 -1.1 225 71 B A H X S+ 0 0 47 -4,-1.4 4,-1.4 -5,-0.3 -2,-0.2 0.906 113.9 50.5 -77.6 -43.7 50.1 32.2 0.2 226 72 B L H X S+ 0 0 13 -4,-2.0 4,-2.2 1,-0.2 3,-0.3 0.910 108.8 55.8 -58.5 -43.8 51.4 29.1 1.9 227 73 B G H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.925 102.6 54.0 -48.2 -49.5 54.0 31.4 3.5 228 74 B G H X S+ 0 0 31 -4,-1.6 4,-1.0 1,-0.3 -1,-0.2 0.872 112.1 45.0 -60.8 -37.9 51.3 33.7 5.0 229 75 B I H <>S+ 0 0 6 -4,-1.4 5,-0.5 -3,-0.3 3,-0.4 0.869 109.9 52.7 -75.8 -38.8 49.6 30.8 6.6 230 76 B L H ><5S+ 0 0 3 -4,-2.2 3,-2.8 1,-0.3 -2,-0.2 0.844 103.0 59.7 -60.5 -44.0 52.7 29.2 8.0 231 77 B K H 3<5S+ 0 0 100 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.832 93.6 65.2 -53.9 -42.1 53.7 32.4 9.6 232 78 B K T ><5S- 0 0 83 -4,-1.0 3,-1.6 -3,-0.4 -1,-0.3 0.410 95.6-143.2 -60.6 -8.1 50.4 32.3 11.6 233 79 B K T < 5S- 0 0 57 -3,-2.8 -3,-0.1 1,-0.3 -2,-0.1 0.851 73.6 -34.0 47.2 49.3 51.7 29.2 13.4 234 80 B G T 3 + 0 0 5 1,-0.1 4,-3.1 2,-0.1 5,-0.3 0.102 21.3 126.4-110.0 10.1 45.5 30.8 10.3 237 83 B E H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.929 78.6 47.5 -38.4 -49.6 41.7 30.3 10.3 238 84 B A H 4 S+ 0 0 73 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.950 114.9 42.2 -66.8 -46.3 41.3 33.6 8.2 239 85 B E H > S+ 0 0 68 -3,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.830 117.8 49.4 -69.2 -39.7 44.0 33.0 5.6 240 86 B L H X S+ 0 0 3 -4,-3.1 4,-2.2 2,-0.2 3,-0.2 0.771 95.9 71.9 -76.9 -26.1 42.8 29.4 5.3 241 87 B T H X S+ 0 0 47 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.956 101.2 39.4 -58.6 -46.2 39.1 30.1 4.9 242 88 B P H > S+ 0 0 66 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.803 111.8 56.6 -68.3 -28.1 39.1 31.5 1.4 243 89 B L H X S+ 0 0 49 -4,-0.7 4,-2.7 -3,-0.2 5,-0.3 0.859 108.3 49.5 -72.1 -35.0 41.7 29.0 0.1 244 90 B A H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 5,-0.2 0.885 110.4 51.5 -64.7 -36.9 39.4 26.2 1.3 245 91 B Q H X>S+ 0 0 97 -4,-2.2 4,-3.4 2,-0.2 5,-0.5 0.919 113.7 41.2 -63.1 -51.8 36.4 27.9 -0.5 246 92 B S H X>S+ 0 0 30 -4,-2.3 5,-3.2 1,-0.2 4,-1.9 0.933 118.1 45.5 -65.3 -50.3 38.1 28.3 -3.9 247 93 B H H <5S+ 0 0 45 -4,-2.7 6,-4.3 3,-0.2 -1,-0.2 0.731 121.7 37.5 -65.1 -26.3 39.9 24.8 -3.9 248 94 B A H <5S+ 0 0 1 -4,-1.3 -2,-0.2 -5,-0.3 -3,-0.2 0.955 131.7 24.3 -90.8 -43.0 36.8 23.0 -2.8 249 95 B T H <5S+ 0 0 85 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.613 134.4 23.0 -99.4 -20.8 34.2 24.9 -4.6 250 96 B K T < - 0 0 28 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.219 21.2-117.7 -59.5 158.4 40.7 16.5 -3.7 255 101 B V T >> S+ 0 0 25 1,-0.3 3,-2.1 2,-0.2 4,-1.4 0.881 113.7 62.2 -70.5 -40.5 42.6 16.4 -0.4 256 102 B K H 3> S+ 0 0 110 1,-0.3 4,-0.9 2,-0.3 -1,-0.3 0.623 98.2 57.3 -59.2 -19.0 45.0 13.7 -1.6 257 103 B Y H <> S+ 0 0 40 -3,-1.2 4,-1.2 2,-0.2 -1,-0.3 0.721 103.0 54.9 -75.4 -31.9 46.1 16.3 -4.2 258 104 B L H <> S+ 0 0 10 -3,-2.1 4,-1.5 -4,-0.4 3,-0.3 0.792 107.5 48.1 -65.3 -43.4 46.9 18.3 -1.1 259 105 B E H X S+ 0 0 99 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.746 108.6 56.7 -62.1 -38.5 49.0 15.4 0.1 260 106 B F H X S+ 0 0 33 -4,-0.9 4,-2.0 -5,-0.2 -1,-0.2 0.883 110.0 40.9 -59.6 -45.4 50.7 15.3 -3.3 261 107 B I H X S+ 0 0 29 -4,-1.2 4,-2.1 -3,-0.3 -1,-0.2 0.777 110.1 58.8 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