==== 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 METAL BINDING PROTEIN 27-JUN-10 3NP2 . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR Z.WANG,T.UENO,S.ABE,Y.TAKEZAWA,H.AOYAGI,T.HIKAGE,Y.WATANABE, . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9777.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 76.2 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 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.9 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 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 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 2 X S 0 0 75 0, 0.0 71,-0.1 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 -98.1 -51.5 -21.1 -16.6 2 3 X Q + 0 0 197 2,-0.1 70,-0.0 70,-0.1 0, 0.0 0.045 360.0 60.7 100.7 -15.5 -51.6 -18.3 -19.4 3 4 X I + 0 0 94 69,-0.1 69,-0.1 2,-0.0 2,-0.0 0.575 67.3 122.5-112.2 -17.1 -48.0 -19.1 -20.5 4 5 X R + 0 0 89 68,-0.2 2,-0.3 2,-0.0 68,-0.1 -0.275 31.5 164.1 -62.7 128.5 -48.1 -22.7 -21.6 5 6 X Q - 0 0 160 66,-0.5 3,-0.1 3,-0.0 -1,-0.0 -0.948 63.7 -11.5-150.4 123.3 -47.0 -23.2 -25.3 6 7 X N S S+ 0 0 94 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.819 92.3 131.6 60.0 30.5 -46.0 -26.3 -27.2 7 8 X Y - 0 0 11 64,-0.1 -1,-0.2 65,-0.0 114,-0.0 -0.891 46.7-149.0-121.0 100.9 -45.8 -28.3 -23.9 8 9 X S > - 0 0 20 -2,-0.6 4,-2.4 1,-0.1 5,-0.1 -0.224 21.2-124.1 -71.9 155.8 -47.7 -31.6 -24.1 9 10 X T H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.821 113.2 60.0 -63.2 -28.1 -49.5 -33.3 -21.2 10 11 X E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 107.9 42.1 -67.0 -43.3 -47.3 -36.3 -22.0 11 12 X V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.940 112.3 54.4 -68.4 -48.7 -44.1 -34.4 -21.4 12 13 X E H X S+ 0 0 31 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.921 112.0 45.0 -49.0 -49.7 -45.5 -32.7 -18.3 13 14 X A H X S+ 0 0 38 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.892 112.6 50.3 -62.6 -43.7 -46.4 -36.2 -16.8 14 15 X A H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.822 108.2 53.8 -63.4 -35.7 -42.9 -37.6 -17.8 15 16 X V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.929 107.3 50.7 -66.9 -42.8 -41.2 -34.7 -16.1 16 17 X N H X S+ 0 0 19 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.898 111.6 48.5 -62.5 -36.4 -43.1 -35.3 -12.9 17 18 X R H X S+ 0 0 153 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.913 109.0 52.1 -68.2 -39.8 -42.1 -38.9 -13.0 18 19 X L H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.870 105.3 55.6 -67.5 -36.3 -38.5 -38.0 -13.6 19 20 X V H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.937 108.1 49.1 -54.5 -48.3 -38.6 -35.7 -10.6 20 21 X N H X S+ 0 0 28 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.933 110.7 50.6 -62.0 -43.2 -39.7 -38.7 -8.5 21 22 X L H X S+ 0 0 48 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.913 111.7 46.8 -57.5 -46.7 -36.9 -40.8 -10.0 22 23 X Y H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.903 112.4 49.1 -66.6 -43.2 -34.3 -38.2 -9.1 23 24 X L H X S+ 0 0 39 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.923 110.8 50.9 -60.3 -43.3 -35.6 -37.7 -5.6 24 25 X R H X S+ 0 0 80 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.895 110.1 50.3 -56.9 -42.7 -35.5 -41.5 -5.2 25 26 X A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.918 108.7 51.8 -65.6 -41.9 -31.9 -41.6 -6.4 26 27 X S H X S+ 0 0 20 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.914 110.4 49.0 -57.2 -44.4 -31.1 -38.8 -3.9 27 28 X Y H X S+ 0 0 103 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.897 109.3 51.9 -61.6 -45.7 -32.6 -40.8 -1.1 28 29 X T H X S+ 0 0 22 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.937 112.2 45.7 -56.9 -48.0 -30.7 -43.9 -2.1 29 30 X Y H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 25,-0.2 0.822 108.3 56.9 -66.8 -33.5 -27.4 -41.9 -2.1 30 31 X L H X S+ 0 0 67 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.944 109.8 46.1 -58.6 -47.3 -28.4 -40.4 1.3 31 32 X S H X S+ 0 0 33 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.924 113.2 48.6 -60.6 -47.0 -28.7 -44.0 2.6 32 33 X L H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.923 108.5 55.3 -58.0 -45.0 -25.4 -45.0 1.1 33 34 X G H < S+ 0 0 0 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.867 112.5 41.1 -58.5 -42.4 -23.7 -41.9 2.5 34 35 X F H >< S+ 0 0 98 -4,-2.0 3,-0.8 1,-0.2 4,-0.3 0.832 107.2 61.6 -77.5 -30.6 -24.7 -42.7 6.1 35 36 X Y H >< S+ 0 0 28 -4,-2.5 3,-1.6 1,-0.2 7,-0.3 0.927 104.0 49.6 -59.4 -41.4 -24.0 -46.4 5.7 36 37 X F T 3< S+ 0 0 0 -4,-1.9 7,-2.5 1,-0.3 11,-0.3 0.596 104.6 60.0 -79.4 -7.4 -20.3 -45.7 5.0 37 38 X D T < S+ 0 0 110 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.369 78.2 118.4 -91.9 -2.2 -20.2 -43.4 8.1 38 39 X R S X> S- 0 0 85 -3,-1.6 4,-2.4 -4,-0.3 3,-2.2 -0.408 75.6-124.0 -62.6 141.8 -21.2 -46.4 10.4 39 40 X D T 34 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.801 113.1 51.8 -63.0 -26.2 -18.4 -47.1 13.0 40 41 X D T 34 S+ 0 0 100 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.259 121.1 31.7 -90.9 10.4 -18.2 -50.7 11.7 41 42 X V T <4 S+ 0 0 32 -3,-2.2 -2,-0.2 -6,-0.1 -5,-0.1 0.555 78.5 169.0-127.4 -63.1 -17.8 -49.5 8.1 42 43 X A < + 0 0 66 -4,-2.4 2,-0.5 -7,-0.3 -5,-0.2 0.883 12.4 148.5 56.6 53.9 -15.9 -46.3 8.5 43 44 X L > - 0 0 16 -7,-2.5 4,-2.2 1,-0.2 3,-0.5 -0.804 22.7-174.4-119.5 90.0 -14.8 -45.4 5.0 44 45 X C H > S+ 0 0 38 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.895 79.4 49.1 -55.3 -52.0 -14.8 -41.5 5.0 45 46 X G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.850 111.3 50.0 -59.9 -34.7 -14.0 -40.9 1.4 46 47 X V H > S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.925 109.7 52.0 -69.7 -44.1 -16.8 -43.4 0.2 47 48 X A H X S+ 0 0 6 -4,-2.2 4,-2.6 -11,-0.3 -2,-0.2 0.915 111.3 46.6 -55.9 -49.3 -19.3 -41.6 2.5 48 49 X H H X S+ 0 0 73 -4,-2.4 4,-2.1 124,-0.2 -1,-0.2 0.882 107.3 57.1 -63.3 -36.9 -18.5 -38.2 1.1 49 50 X F H X S+ 0 0 19 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.935 113.9 39.1 -58.7 -49.2 -18.7 -39.5 -2.5 50 51 X F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.891 112.8 54.3 -74.2 -35.7 -22.3 -40.7 -1.9 51 52 X R H X S+ 0 0 107 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.909 107.5 52.3 -58.5 -43.0 -23.3 -37.7 0.2 52 53 X E H X S+ 0 0 66 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.885 109.4 49.8 -58.2 -43.6 -22.2 -35.5 -2.7 53 54 X L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.862 103.8 58.4 -66.4 -37.4 -24.3 -37.5 -5.1 54 55 X A H X S+ 0 0 7 -4,-2.3 4,-1.9 -25,-0.2 -1,-0.2 0.937 109.5 45.8 -57.7 -41.3 -27.4 -37.3 -2.9 55 56 X E H X S+ 0 0 102 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.930 110.8 52.0 -69.0 -46.5 -27.1 -33.5 -3.2 56 57 X E H X S+ 0 0 82 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.879 110.6 47.8 -55.4 -41.4 -26.5 -33.6 -7.0 57 58 X K H X S+ 0 0 7 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.878 111.0 51.1 -72.3 -38.1 -29.7 -35.7 -7.6 58 59 X R H X S+ 0 0 95 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.922 109.5 50.4 -59.1 -46.3 -31.7 -33.4 -5.4 59 60 X E H X S+ 0 0 70 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.882 108.0 54.1 -60.6 -37.7 -30.5 -30.4 -7.4 60 61 X G H X S+ 0 0 8 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.918 108.0 49.1 -62.4 -48.1 -31.5 -32.3 -10.6 61 62 X A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.918 111.1 50.6 -54.9 -43.6 -35.0 -32.8 -9.3 62 63 X E H X S+ 0 0 91 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.868 107.9 52.1 -66.0 -36.7 -35.2 -29.1 -8.4 63 64 X R H X S+ 0 0 111 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.892 110.0 49.4 -65.2 -39.9 -34.0 -28.0 -11.8 64 65 X L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.883 110.6 50.2 -63.1 -40.8 -36.7 -30.1 -13.4 65 66 X L H X S+ 0 0 29 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.905 109.8 50.1 -65.9 -40.7 -39.4 -28.6 -11.1 66 67 X K H X S+ 0 0 137 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.920 112.0 48.3 -61.3 -43.7 -38.2 -25.1 -12.0 67 68 X M H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 6,-0.3 0.900 106.5 56.9 -62.9 -42.0 -38.4 -26.0 -15.7 68 69 X Q H X>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 4,-0.5 0.944 111.2 43.3 -55.4 -48.6 -41.9 -27.5 -15.2 69 70 X N H ><5S+ 0 0 95 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.889 109.1 58.0 -64.5 -39.1 -43.1 -24.1 -13.8 70 71 X Q H 3<5S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.848 110.3 44.0 -59.6 -34.1 -41.2 -22.2 -16.6 71 72 X R H 3<5S- 0 0 27 -4,-2.1 -66,-0.5 -3,-0.2 -1,-0.3 0.490 119.7-107.8 -87.4 -8.0 -43.3 -24.1 -19.2 72 73 X G T <<5S+ 0 0 2 -3,-1.0 -3,-0.2 -4,-0.5 -68,-0.2 0.595 74.2 137.3 89.5 9.6 -46.6 -23.7 -17.4 73 74 X G < - 0 0 0 -5,-2.6 2,-0.5 -6,-0.3 -1,-0.3 -0.306 53.1-118.0 -79.0 169.4 -46.7 -27.4 -16.3 74 75 X R - 0 0 120 -3,-0.1 -58,-0.1 -2,-0.1 2,-0.1 -0.960 16.9-126.8-122.8 120.8 -47.8 -28.3 -12.8 75 76 X A - 0 0 36 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.344 26.3-175.0 -57.4 132.6 -45.6 -30.2 -10.3 76 77 X L - 0 0 114 -63,-0.1 2,-0.3 -2,-0.1 -2,-0.0 -0.965 9.6-154.6-133.2 121.0 -47.2 -33.3 -8.9 77 78 X F - 0 0 130 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.701 8.1-165.5 -99.1 145.5 -45.4 -35.1 -6.1 78 79 X Q - 0 0 139 -2,-0.3 -2,-0.0 -62,-0.2 2,-0.0 -0.810 39.0 -72.4-122.2 165.8 -45.7 -38.9 -5.3 79 80 X D - 0 0 155 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.306 48.9-128.9 -57.4 135.5 -44.7 -41.0 -2.4 80 81 X L - 0 0 75 -57,-0.0 -1,-0.1 -3,-0.0 2,-0.1 -0.791 20.0-135.9 -93.3 112.6 -40.9 -41.6 -2.3 81 82 X Q - 0 0 114 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.383 22.7-110.4 -69.3 143.7 -40.0 -45.2 -2.0 82 83 X K - 0 0 145 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.255 48.2 -79.3 -64.0 158.5 -37.3 -46.1 0.4 83 84 X P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.165 38.8-112.0 -59.7 157.9 -34.0 -47.4 -1.0 84 85 X S S S+ 0 0 107 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.664 97.7 34.4 -66.7 -17.5 -33.6 -51.0 -2.2 85 86 X Q - 0 0 81 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.939 53.0-158.7-138.4 151.5 -31.3 -51.9 0.6 86 87 X D S S+ 0 0 128 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.664 93.6 33.9 -96.2 -31.3 -30.7 -51.0 4.3 87 88 X E - 0 0 119 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.989 68.2-159.5-125.1 142.9 -27.0 -52.1 4.2 88 89 X W - 0 0 4 -2,-0.4 2,-0.2 1,-0.3 9,-0.1 0.327 20.4-148.0-112.8 6.7 -24.8 -51.7 1.2 89 90 X G - 0 0 32 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.372 55.8 -0.2 68.6-132.2 -21.9 -54.2 1.6 90 91 X T S > S- 0 0 55 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.355 72.9-104.2 -88.8 171.1 -18.5 -53.3 0.2 91 92 X T H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.922 126.1 53.8 -55.9 -45.6 -17.4 -50.2 -1.6 92 93 X L H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 107.4 48.3 -51.1 -54.8 -17.5 -52.5 -4.7 93 94 X D H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 114.2 47.6 -52.4 -46.0 -21.1 -53.5 -4.0 94 95 X A H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.894 111.0 48.5 -66.8 -44.4 -22.1 -49.9 -3.5 95 96 X M H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.877 111.6 51.6 -66.2 -37.5 -20.3 -48.6 -6.7 96 97 X K H X S+ 0 0 99 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.939 111.7 46.3 -58.0 -47.9 -22.0 -51.4 -8.7 97 98 X A H X S+ 0 0 28 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.881 110.8 54.8 -65.1 -36.0 -25.4 -50.4 -7.3 98 99 X A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.896 106.8 48.9 -63.2 -44.0 -24.5 -46.7 -8.1 99 100 X I H X S+ 0 0 15 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.894 111.4 49.6 -66.9 -38.8 -23.8 -47.4 -11.8 100 101 X V H X S+ 0 0 100 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.955 110.8 49.8 -64.7 -43.8 -27.0 -49.3 -12.2 101 102 X L H X S+ 0 0 30 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.937 112.8 47.0 -54.1 -50.1 -28.9 -46.5 -10.6 102 103 X E H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.880 109.3 54.0 -62.9 -40.1 -27.2 -43.9 -12.9 103 104 X K H X S+ 0 0 121 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.882 107.1 51.7 -58.6 -40.2 -27.9 -46.0 -15.9 104 105 X S H X S+ 0 0 58 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.883 111.4 46.6 -66.1 -38.4 -31.5 -46.1 -15.0 105 106 X L H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.920 111.5 51.9 -66.0 -46.9 -31.7 -42.3 -14.7 106 107 X N H X S+ 0 0 30 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.903 108.9 50.0 -55.8 -44.5 -29.8 -41.9 -18.0 107 108 X Q H X S+ 0 0 99 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.878 109.2 51.9 -64.7 -37.4 -32.3 -44.2 -19.7 108 109 X A H X S+ 0 0 20 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.900 110.0 49.4 -62.8 -40.9 -35.2 -42.2 -18.3 109 110 X L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.887 111.4 49.2 -61.9 -42.9 -33.5 -39.0 -19.6 110 111 X L H X S+ 0 0 78 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.888 110.0 50.8 -63.4 -42.8 -33.2 -40.7 -23.1 111 112 X D H X S+ 0 0 97 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.901 111.3 48.8 -62.6 -40.1 -36.8 -41.8 -23.0 112 113 X L H X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.885 109.8 50.8 -67.0 -39.0 -37.8 -38.2 -22.2 113 114 X H H X S+ 0 0 61 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.902 109.7 51.4 -64.5 -39.9 -35.7 -36.8 -25.0 114 115 X A H X S+ 0 0 58 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.926 110.1 48.5 -60.3 -47.1 -37.3 -39.2 -27.4 115 116 X L H X S+ 0 0 49 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.944 109.5 52.7 -59.1 -47.0 -40.7 -38.1 -26.2 116 117 X G H <>S+ 0 0 1 -4,-2.8 5,-2.5 1,-0.2 4,-0.3 0.921 110.3 48.8 -52.3 -45.9 -39.6 -34.4 -26.7 117 118 X S H ><5S+ 0 0 88 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.939 112.3 47.1 -60.8 -48.9 -38.5 -35.3 -30.3 118 119 X A H 3<5S+ 0 0 86 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.809 115.3 46.7 -62.1 -31.6 -41.8 -37.1 -31.0 119 120 X Q T 3<5S- 0 0 67 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.403 110.8-123.8 -90.3 2.8 -43.7 -34.1 -29.5 120 121 X A T < 5 + 0 0 66 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.934 59.2 148.9 47.8 57.2 -41.6 -31.6 -31.5 121 122 X D >< + 0 0 3 -5,-2.5 4,-1.7 1,-0.1 3,-0.2 -0.798 17.5 171.4-118.9 82.2 -40.6 -29.8 -28.2 122 123 X P H > S+ 0 0 92 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.791 74.2 62.3 -69.1 -25.5 -37.1 -28.4 -28.8 123 124 X H H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.941 107.3 46.0 -63.4 -41.8 -36.9 -26.4 -25.6 124 125 X L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.948 110.0 53.5 -59.2 -50.6 -37.2 -29.6 -23.7 125 126 X C H X S+ 0 0 41 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.831 112.9 43.7 -58.8 -36.2 -34.6 -31.3 -25.8 126 127 X D H X S+ 0 0 99 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.910 109.1 55.6 -73.6 -46.5 -32.2 -28.6 -25.2 127 128 X F H X S+ 0 0 13 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.926 110.0 46.7 -50.3 -50.2 -32.9 -28.3 -21.5 128 129 X L H X>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 4,-1.7 0.847 110.2 55.4 -62.9 -36.1 -32.1 -32.1 -21.0 129 130 X E H <>S+ 0 0 37 -4,-1.1 5,-1.5 -5,-0.2 6,-0.3 0.984 112.9 37.5 -60.2 -61.4 -29.0 -31.8 -23.0 130 131 X S H <5S+ 0 0 57 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.828 127.6 31.1 -67.1 -37.6 -27.3 -29.0 -21.1 131 132 X H H <5S+ 0 0 68 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.626 132.9 10.6 -96.6 -16.0 -28.4 -30.0 -17.6 132 133 X F T X5S+ 0 0 5 -4,-1.7 4,-2.3 -5,-0.3 -3,-0.2 0.697 110.6 59.1-133.7 -50.7 -28.6 -33.8 -17.6 133 134 X L H > S+ 0 0 91 -6,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.909 108.3 48.0 -59.2 -43.1 -23.6 -34.8 -16.7 136 137 X E H X S+ 0 0 4 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.928 109.6 51.7 -65.2 -45.3 -24.8 -38.4 -16.7 137 138 X V H X S+ 0 0 88 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.933 112.7 45.5 -58.4 -46.7 -22.2 -39.5 -19.3 138 139 X K H X S+ 0 0 143 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.894 115.2 48.2 -61.5 -40.6 -19.3 -37.9 -17.3 139 140 X L H X S+ 0 0 19 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.930 110.6 48.7 -70.1 -43.3 -20.6 -39.4 -14.0 140 141 X I H X S+ 0 0 35 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.893 110.3 53.8 -64.1 -38.7 -21.1 -42.9 -15.4 141 142 X K H X S+ 0 0 129 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.934 108.9 48.7 -58.4 -46.0 -17.5 -42.7 -16.9 142 143 X K H X S+ 0 0 93 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.914 110.6 49.1 -61.3 -45.1 -16.1 -41.8 -13.5 143 144 X M H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.878 109.6 52.3 -64.1 -38.1 -18.0 -44.7 -11.8 144 145 X G H X S+ 0 0 27 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.927 109.3 50.5 -59.6 -45.9 -16.7 -47.1 -14.4 145 146 X D H X S+ 0 0 61 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.921 112.4 47.5 -55.9 -47.0 -13.1 -45.8 -13.7 146 147 X H H X S+ 0 0 20 -4,-2.3 4,-3.4 1,-0.2 -2,-0.2 0.911 109.2 52.5 -61.5 -45.9 -13.7 -46.4 -10.0 147 148 X L H X S+ 0 0 24 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.870 108.5 51.5 -56.7 -42.1 -15.1 -49.9 -10.5 148 149 X T H X S+ 0 0 70 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.916 114.0 43.3 -63.0 -43.4 -12.1 -50.8 -12.5 149 150 X N H X S+ 0 0 55 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.891 112.6 51.4 -71.8 -41.4 -9.7 -49.6 -9.8 150 151 X I H >< S+ 0 0 14 -4,-3.4 3,-0.9 1,-0.2 4,-0.5 0.959 111.7 49.0 -54.1 -50.8 -11.7 -51.1 -7.0 151 152 X Q H >X S+ 0 0 94 -4,-2.5 3,-1.0 1,-0.3 4,-0.6 0.850 106.9 54.0 -62.1 -38.8 -11.7 -54.5 -8.8 152 153 X R H 3< S+ 0 0 171 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.767 108.4 52.7 -65.8 -21.7 -7.9 -54.3 -9.4 153 154 X L T << S+ 0 0 57 -4,-1.1 8,-0.3 -3,-0.9 -1,-0.2 0.533 85.7 83.4 -91.6 -7.0 -7.4 -53.8 -5.7 154 155 X V T <4 + 0 0 61 -3,-1.0 3,-0.4 -4,-0.5 7,-0.2 0.953 58.0 136.3 -64.8 -50.2 -9.5 -56.9 -4.6 155 156 X G S < S- 0 0 71 -4,-0.6 3,-0.1 1,-0.2 -1,-0.1 -0.086 85.5 -48.0 48.8-134.5 -6.6 -59.3 -5.0 156 157 X S S S+ 0 0 136 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.447 135.3 60.5-107.3 -12.7 -6.3 -61.8 -2.1 157 158 X Q > + 0 0 49 -3,-0.4 4,-1.8 -4,-0.2 -1,-0.2 -0.821 59.1 173.0-120.8 85.5 -6.5 -59.1 0.6 158 159 X A H > S+ 0 0 60 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.887 77.0 54.5 -63.3 -43.9 -9.9 -57.3 0.2 159 160 X G H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 108.0 50.2 -55.2 -45.5 -9.6 -55.2 3.4 160 161 X L H > S+ 0 0 106 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 112.2 47.1 -60.2 -45.4 -6.3 -53.7 2.3 161 162 X G H X S+ 0 0 5 -4,-1.8 4,-2.6 -8,-0.3 5,-0.2 0.906 110.8 51.1 -67.6 -38.8 -7.7 -52.8 -1.2 162 163 X E H X S+ 0 0 54 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.914 113.1 46.4 -65.2 -39.4 -10.8 -51.2 0.2 163 164 X Y H X S+ 0 0 135 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.944 113.3 48.0 -65.4 -47.5 -8.7 -49.1 2.6 164 165 X L H X S+ 0 0 59 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.904 110.0 51.4 -65.1 -40.9 -6.2 -48.1 -0.1 165 166 X F H X>S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 5,-1.7 0.944 112.4 46.2 -60.3 -46.1 -8.9 -47.1 -2.6 166 167 X E H <5S+ 0 0 4 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.900 118.8 42.4 -63.5 -40.1 -10.7 -44.9 -0.0 167 168 X R H <5S+ 0 0 116 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.854 125.5 29.8 -72.2 -36.6 -7.4 -43.3 1.1 168 169 X L H <5S+ 0 0 117 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.646 130.8 26.2-108.7 -21.2 -5.8 -42.8 -2.3 169 170 X T T <5S+ 0 0 60 -4,-2.4 -3,-0.2 -5,-0.4 -4,-0.1 0.772 126.8 38.5-106.7 -46.6 -8.6 -42.3 -4.8 170 171 X L S