==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 06-DEC-06 2O5T . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR G.B.RICHTER-ADDO,Z.N.ZAHRAN,L.CHOOBACK,D.M.COPELAND,A.H.WEST . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 82.2 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 . 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 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 1 0 0 0 0 0 0 1 0 1 1 0 1 1 0 0 0 0 0 1 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 X G 0 0 94 0, 0.0 2,-0.3 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 173.8 15.8 6.0 1.5 2 2 X L - 0 0 23 77,-0.1 128,-0.0 1,-0.1 2,-0.0 -0.755 360.0-117.3 -95.8 147.9 17.1 7.8 4.5 3 3 X S > - 0 0 60 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.247 29.5-106.0 -69.9 165.6 20.5 9.5 4.7 4 4 X D H > S+ 0 0 133 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.933 125.5 51.1 -56.3 -44.0 23.2 8.4 7.1 5 5 X G H > S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.903 110.5 49.0 -59.3 -43.7 22.5 11.5 9.1 6 6 X E H > S+ 0 0 57 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.913 108.3 51.6 -64.4 -49.9 18.8 10.7 9.1 7 7 X W H X S+ 0 0 18 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.886 108.3 53.4 -52.8 -40.6 19.3 7.0 10.2 8 8 X Q H X S+ 0 0 153 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.899 109.4 47.9 -65.0 -41.1 21.5 8.3 13.1 9 9 X Q H X S+ 0 0 50 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.922 110.6 52.1 -58.8 -49.7 18.6 10.6 14.2 10 10 X V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.934 113.4 42.6 -52.0 -51.8 16.2 7.7 14.0 11 11 X L H X S+ 0 0 52 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.748 111.9 55.5 -74.7 -21.7 18.3 5.5 16.2 12 12 X N H >< S+ 0 0 104 -4,-1.5 3,-0.7 -5,-0.2 4,-0.4 0.953 110.1 44.9 -69.9 -52.1 19.0 8.4 18.6 13 13 X V H >X S+ 0 0 2 -4,-2.9 3,-2.2 1,-0.2 4,-0.9 0.907 106.9 60.3 -49.5 -47.3 15.2 8.9 19.0 14 14 X W H 3X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.782 89.2 71.6 -60.9 -28.4 14.8 5.2 19.4 15 15 X G H S+ 0 0 41 -3,-2.2 3,-0.6 -4,-0.4 4,-0.5 0.902 107.3 48.3 -69.5 -42.2 14.2 7.1 24.2 17 17 X V H >< S+ 0 0 4 -4,-0.9 3,-1.3 1,-0.2 7,-0.3 0.910 106.8 56.8 -66.5 -40.4 11.9 4.2 23.4 18 18 X E H 3< S+ 0 0 102 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.691 94.8 65.0 -65.9 -19.6 14.4 1.6 24.7 19 19 X A H << S+ 0 0 93 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.754 125.8 12.5 -75.8 -21.3 14.7 3.2 28.1 20 20 X D S S+ 0 0 44 -3,-0.5 4,-2.9 1,-0.2 48,-0.1 0.915 78.8 47.7 -67.3 -45.9 9.8 -0.1 25.9 22 22 X A H > S+ 0 0 18 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.871 113.4 47.5 -63.3 -41.5 6.7 -1.4 27.8 23 23 X G H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.933 116.3 43.5 -68.1 -46.7 5.5 2.2 28.7 24 24 X H H X S+ 0 0 8 -4,-2.5 4,-2.4 -7,-0.3 -2,-0.2 0.930 115.3 51.0 -60.7 -46.7 6.1 3.5 25.1 25 25 X G H X S+ 0 0 1 -4,-2.9 4,-2.3 -5,-0.3 -2,-0.2 0.935 111.3 45.8 -56.1 -52.7 4.4 0.3 23.8 26 26 X Q H X S+ 0 0 10 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.918 113.4 49.2 -57.0 -50.6 1.3 0.6 26.0 27 27 X E H X S+ 0 0 55 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.889 110.3 51.6 -60.4 -41.1 0.8 4.3 25.2 28 28 X V H X S+ 0 0 5 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.970 113.3 44.4 -56.9 -53.0 1.2 3.7 21.4 29 29 X L H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.935 114.4 47.9 -62.2 -47.2 -1.5 0.9 21.6 30 30 X I H X S+ 0 0 8 -4,-3.1 4,-2.7 1,-0.2 5,-0.3 0.886 110.9 52.3 -56.8 -42.7 -3.9 2.9 23.8 31 31 X R H X S+ 0 0 113 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.937 113.5 44.4 -58.9 -43.6 -3.4 6.0 21.5 32 32 X L H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 7,-0.3 0.948 116.5 45.7 -66.4 -48.2 -4.3 3.7 18.4 33 33 X F H < S+ 0 0 3 -4,-2.9 7,-0.3 1,-0.2 -2,-0.2 0.858 116.6 43.1 -64.4 -42.6 -7.3 2.0 20.2 34 34 X T H < S+ 0 0 60 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.868 119.4 42.5 -76.5 -37.4 -8.8 5.2 21.6 35 35 X G H < S+ 0 0 46 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.782 130.6 25.4 -76.3 -28.7 -8.3 7.3 18.4 36 36 X H >X + 0 0 55 -4,-2.1 3,-2.4 -5,-0.2 4,-0.6 -0.665 66.0 179.6-137.0 78.3 -9.5 4.4 16.1 37 37 X P H >> S+ 0 0 82 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.738 77.6 71.1 -58.9 -22.4 -11.8 2.0 18.0 38 38 X E H 34 S+ 0 0 83 1,-0.2 4,-0.3 2,-0.2 3,-0.3 0.807 91.1 61.7 -59.5 -27.5 -12.2 -0.1 14.9 39 39 X T H X4 S+ 0 0 2 -3,-2.4 3,-1.8 -7,-0.3 4,-0.3 0.865 93.8 61.3 -67.5 -39.1 -8.5 -1.2 15.4 40 40 X L H X< S+ 0 0 14 -4,-0.6 3,-2.0 -3,-0.5 6,-0.3 0.858 94.6 64.7 -55.4 -37.0 -9.4 -2.7 18.8 41 41 X E T 3< S+ 0 0 112 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.673 89.5 65.5 -63.7 -17.1 -11.8 -5.1 17.0 42 42 X K T < S+ 0 0 80 -3,-1.8 2,-0.7 -4,-0.3 -1,-0.3 0.604 93.1 70.1 -78.2 -10.4 -8.8 -6.8 15.2 43 43 X F X> - 0 0 47 -3,-2.0 3,-1.9 -4,-0.3 4,-1.5 -0.880 58.3-173.9-113.2 95.7 -7.5 -8.1 18.6 44 44 X D T 34 S+ 0 0 125 -2,-0.7 4,-0.3 1,-0.3 -1,-0.2 0.806 90.0 56.3 -52.5 -32.7 -9.7 -10.8 20.1 45 45 X K T 34 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 15,-0.1 0.509 116.1 33.3 -83.4 -3.3 -7.5 -10.6 23.1 46 46 X F T X4 S+ 0 0 0 -3,-1.9 3,-2.1 -6,-0.3 -2,-0.2 0.449 88.2 92.1-124.2 -4.7 -8.2 -6.9 23.7 47 47 X K T 3< S+ 0 0 77 -4,-1.5 -2,-0.1 1,-0.3 -3,-0.1 0.744 77.2 69.1 -68.4 -16.4 -11.7 -6.4 22.5 48 48 X H T 3 S+ 0 0 116 -4,-0.3 2,-0.8 2,-0.0 -1,-0.3 0.609 76.3 101.5 -65.4 -15.3 -12.9 -7.0 26.1 49 49 X L < + 0 0 6 -3,-2.1 3,-0.1 1,-0.2 -3,-0.0 -0.660 42.2 165.0 -79.4 107.7 -11.2 -3.6 26.9 50 50 X K + 0 0 162 -2,-0.8 2,-0.3 1,-0.1 -1,-0.2 0.802 58.6 36.1 -93.8 -32.2 -14.1 -1.1 27.1 51 51 X T S > S- 0 0 69 1,-0.1 4,-1.9 0, 0.0 -1,-0.1 -0.855 77.1-119.8-120.7 153.8 -12.5 1.9 28.8 52 52 X E H > S+ 0 0 111 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.808 116.3 59.7 -55.5 -33.5 -9.0 3.5 28.7 53 53 X A H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.946 106.1 48.5 -62.2 -42.9 -8.7 2.7 32.5 54 54 X E H > S+ 0 0 88 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.915 111.9 48.4 -60.2 -45.0 -9.2 -0.9 31.5 55 55 X M H >< S+ 0 0 10 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.936 111.2 50.1 -57.1 -52.5 -6.5 -0.6 28.8 56 56 X K H 3< S+ 0 0 101 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.807 112.0 47.9 -56.3 -37.1 -4.1 1.1 31.1 57 57 X A H 3< S+ 0 0 76 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.3 0.474 86.2 107.6 -87.3 -5.1 -4.5 -1.6 33.8 58 58 X S S+ 0 0 128 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.838 88.4 55.8 -71.0 -31.0 -0.7 -6.1 31.8 60 60 X D H > S+ 0 0 61 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.842 103.3 54.4 -70.3 -32.2 -1.1 -8.2 28.6 61 61 X L H > S+ 0 0 0 2,-0.2 4,-2.3 -6,-0.2 -1,-0.2 0.898 110.7 46.6 -65.4 -43.0 -1.7 -4.9 26.6 62 62 X K H X S+ 0 0 71 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.927 110.5 52.4 -64.5 -45.8 1.7 -3.7 27.9 63 63 X K H X S+ 0 0 136 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.933 110.6 47.7 -53.7 -50.6 3.3 -7.1 27.1 64 64 X H H X S+ 0 0 41 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.902 107.1 56.8 -57.5 -41.6 2.0 -6.8 23.5 65 65 X G H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.910 107.6 49.7 -55.2 -43.3 3.3 -3.2 23.3 66 66 X T H X S+ 0 0 41 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.913 110.5 47.9 -61.5 -43.7 6.7 -4.7 24.2 67 67 X V H X S+ 0 0 87 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.966 114.3 48.6 -61.4 -48.2 6.4 -7.3 21.5 68 68 X V H X S+ 0 0 38 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.934 115.1 40.6 -55.0 -57.6 5.3 -4.6 18.9 69 69 X L H X S+ 0 0 5 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.824 111.9 56.4 -72.7 -31.6 8.1 -2.1 19.6 70 70 X T H X S+ 0 0 85 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.933 109.6 46.0 -60.7 -46.5 10.8 -4.7 20.0 71 71 X A H X S+ 0 0 40 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.934 115.1 47.4 -59.6 -45.8 9.9 -6.0 16.5 72 72 X L H X S+ 0 0 13 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.905 110.0 52.4 -63.2 -45.4 9.9 -2.4 15.1 73 73 X G H X S+ 0 0 3 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.903 107.7 52.5 -55.5 -45.3 13.2 -1.6 16.9 74 74 X G H X S+ 0 0 37 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.922 111.5 46.4 -54.8 -45.8 14.8 -4.7 15.2 75 75 X I H >< S+ 0 0 5 -4,-1.9 3,-1.2 1,-0.2 5,-0.5 0.935 111.0 51.7 -66.6 -46.9 13.6 -3.5 11.8 76 76 X L H >< S+ 0 0 4 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.870 102.2 59.4 -60.6 -39.2 14.8 0.1 12.4 77 77 X K H 3< S+ 0 0 95 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.692 94.6 65.2 -66.5 -17.9 18.3 -1.0 13.4 78 78 X K T X< S- 0 0 81 -3,-1.2 3,-1.9 -4,-0.7 -1,-0.3 0.560 99.5-140.9 -74.0 -13.1 18.7 -2.6 9.9 79 79 X K T < S- 0 0 90 -3,-2.0 -3,-0.1 -4,-0.3 -2,-0.1 0.912 73.1 -37.0 51.5 50.1 18.5 0.9 8.4 80 80 X G T 3 S+ 0 0 28 -5,-0.5 2,-1.2 1,-0.1 -1,-0.3 0.243 119.3 103.6 90.3 -14.5 16.3 -0.1 5.4 81 81 X H < + 0 0 146 -3,-1.9 3,-0.2 1,-0.2 4,-0.1 -0.458 47.1 118.4 -91.9 60.5 18.0 -3.5 4.9 82 82 X H > + 0 0 7 -2,-1.2 4,-3.1 1,-0.1 5,-0.3 0.080 18.6 121.2-117.1 17.7 15.0 -5.2 6.6 83 83 X E H > S+ 0 0 99 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.937 80.9 46.1 -52.4 -49.8 13.6 -7.5 3.9 84 84 X A H 4 S+ 0 0 76 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.878 119.4 41.5 -61.1 -39.3 14.0 -10.7 6.0 85 85 X E H > S+ 0 0 68 2,-0.1 4,-0.7 1,-0.1 -1,-0.2 0.853 119.5 42.7 -74.3 -36.8 12.5 -9.0 9.1 86 86 X L H X S+ 0 0 0 -4,-3.1 4,-3.2 2,-0.2 5,-0.3 0.896 100.5 66.8 -85.1 -38.3 9.7 -7.1 7.3 87 87 X K H X S+ 0 0 86 -4,-2.6 4,-2.9 -5,-0.3 5,-0.2 0.910 103.4 44.1 -51.6 -54.8 8.4 -9.8 4.9 88 88 X P H > S+ 0 0 78 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.864 115.0 51.0 -60.3 -35.5 7.0 -12.2 7.6 89 89 X L H X S+ 0 0 51 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.946 110.4 48.3 -64.1 -49.5 5.5 -9.3 9.5 90 90 X A H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.936 114.8 46.8 -52.3 -48.7 3.8 -8.0 6.3 91 91 X Q H X>S+ 0 0 64 -4,-2.9 4,-2.3 -5,-0.3 5,-0.7 0.882 111.3 47.8 -70.2 -36.9 2.5 -11.5 5.6 92 92 X S H X>S+ 0 0 36 -4,-2.6 5,-2.4 3,-0.2 4,-1.2 0.905 113.8 49.8 -71.3 -35.1 1.1 -12.3 9.1 93 93 X H H <5S+ 0 0 59 -4,-2.3 6,-3.1 -5,-0.2 -2,-0.2 0.911 118.3 36.5 -73.2 -37.2 -0.6 -8.9 9.2 94 94 X A H <5S+ 0 0 0 -4,-2.3 4,-0.5 4,-0.2 -2,-0.2 0.986 129.9 28.8 -69.4 -58.2 -2.3 -9.2 5.8 95 95 X T H <5S+ 0 0 85 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.857 132.7 25.7 -83.2 -40.8 -3.2 -12.9 5.8 96 96 X K T <> - 0 0 22 0, 0.0 3,-2.2 0, 0.0 4,-0.9 -0.310 22.7-115.8 -60.7 147.2 -5.5 -2.8 6.5 101 101 X I H >> S+ 0 0 58 1,-0.3 4,-1.9 2,-0.2 3,-0.6 0.827 114.3 68.2 -51.3 -32.1 -2.5 -0.6 5.5 102 102 X K H 3> S+ 0 0 105 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.827 94.3 56.9 -52.6 -36.1 -4.6 2.4 7.0 103 103 X Y H <> S+ 0 0 42 -3,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.854 103.9 52.2 -71.2 -30.7 -4.1 0.9 10.4 104 104 X L H < S- 0 0 37 -4,-1.6 3,-2.5 -5,-0.3 -1,-0.2 -0.329 76.4-177.1-137.4 53.3 9.3 13.9 25.5 120 120 X P T 3 S+ 0 0 103 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.293 78.2 6.6 -63.5 132.6 7.9 17.4 25.0 121 121 X G T 3 S+ 0 0 87 2,-0.2 3,-0.1 1,-0.1 -5,-0.1 0.452 117.1 81.8 76.9 -0.0 10.6 19.8 23.7 122 122 X D S < S+ 0 0 94 -3,-2.5 2,-0.3 -7,-0.2 -1,-0.1 0.018 73.2 72.5-124.7 26.2 13.0 16.9 23.3 123 123 X F S S- 0 0 8 -4,-0.1 -2,-0.2 -7,-0.1 -1,-0.1 -0.771 79.3-159.7-139.2 83.6 11.8 15.5 19.9 124 124 X G > - 0 0 35 -2,-0.3 4,-3.0 -3,-0.1 5,-0.2 0.035 30.9-100.2 -71.2 170.8 13.1 18.2 17.6 125 125 X A H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.888 124.4 48.9 -56.0 -42.9 12.0 19.1 14.0 126 126 X D H > S+ 0 0 103 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.939 112.4 48.5 -65.2 -47.1 15.0 17.2 12.5 127 127 X A H > S+ 0 0 8 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.925 111.1 49.8 -57.0 -49.2 14.2 14.1 14.7 128 128 X Q H X S+ 0 0 74 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.941 111.3 49.6 -54.9 -51.4 10.5 14.1 13.8 129 129 X G H X S+ 0 0 37 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.949 114.2 45.3 -49.5 -53.5 11.4 14.4 10.1 130 130 X A H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.949 114.9 45.9 -58.1 -56.3 13.9 11.4 10.4 131 131 X M H X S+ 0 0 1 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.887 111.4 53.6 -53.9 -42.4 11.5 9.2 12.4 132 132 X T H X S+ 0 0 44 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.925 109.6 48.0 -60.6 -44.7 8.6 10.0 10.0 133 133 X K H X S+ 0 0 73 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.886 110.7 50.8 -60.6 -42.6 10.7 8.9 7.0 134 134 X A H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.909 112.7 46.7 -62.9 -41.4 11.8 5.7 8.7 135 135 X L H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.820 111.4 50.6 -70.9 -38.3 8.1 4.9 9.5 136 136 X E H X S+ 0 0 91 -4,-2.2 4,-3.5 2,-0.2 5,-0.2 0.904 109.4 51.8 -62.3 -46.1 7.0 5.7 6.0 137 137 X L H X S+ 0 0 38 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.939 112.3 46.0 -51.1 -51.3 9.7 3.4 4.7 138 138 X F H X S+ 0 0 19 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.959 116.3 45.0 -54.4 -56.9 8.4 0.7 7.0 139 139 X R H X S+ 0 0 49 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.881 113.9 49.1 -55.5 -47.0 4.8 1.3 5.9 140 140 X N H X S+ 0 0 111 -4,-3.5 4,-1.8 2,-0.2 -1,-0.2 0.853 110.0 50.1 -66.3 -35.8 5.7 1.6 2.2 141 141 X D H X S+ 0 0 48 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.895 112.0 49.0 -73.2 -34.8 7.7 -1.7 2.2 142 142 X I H X S+ 0 0 5 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.929 107.2 55.8 -64.9 -47.6 4.8 -3.4 3.9 143 143 X A H X S+ 0 0 34 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.873 102.7 55.6 -53.8 -39.1 2.4 -1.9 1.3 144 144 X A H X S+ 0 0 59 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.928 109.7 46.7 -60.8 -41.4 4.5 -3.5 -1.5 145 145 X K H X S+ 0 0 29 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.888 110.2 52.9 -64.7 -36.9 4.0 -7.0 0.3 146 146 X Y H X>S+ 0 0 8 -4,-2.5 5,-2.6 1,-0.2 4,-0.9 0.914 107.8 50.5 -66.3 -43.0 0.3 -6.3 0.7 147 147 X K H ><5S+ 0 0 181 -4,-2.5 3,-0.7 2,-0.2 -1,-0.2 0.888 107.0 55.2 -59.5 -43.1 -0.0 -5.5 -3.1 148 148 X E H 3<5S+ 0 0 126 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.937 113.7 41.2 -52.7 -46.7 1.8 -8.8 -3.8 149 149 X L H 3<5S- 0 0 71 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.580 108.2-126.9 -76.8 -12.6 -0.9 -10.6 -1.8 150 150 X G T <<5 + 0 0 61 -4,-0.9 2,-0.5 -3,-0.7 -3,-0.2 0.780 50.9 165.1 64.1 30.1 -3.7 -8.4 -3.2 151 151 X F < 0 0 39 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.719 360.0 360.0 -88.9 126.5 -4.7 -7.6 0.3 152 152 X Q 0 0 146 -2,-0.5 -53,-0.0 -3,-0.1 -58,-0.0 -0.371 360.0 360.0 71.7 360.0 -7.2 -4.7 0.8