==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 28-OCT-08 2ZUR . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR S.ABE,K.HIRATA,T.UENO,N.SHIMIZU,M.YAMAMOTO,M.TAKATA, . 172 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 75.6 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 1.7 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 . 113 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.5 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 1 0 1 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 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 1 X S 0 0 53 0, 0.0 72,-0.1 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0 154.0 -51.2 -20.8 -16.6 2 2 X S + 0 0 109 3,-0.1 72,-0.0 0, 0.0 0, 0.0 -0.954 360.0 79.1 -75.4 27.4 -52.7 -21.7 -18.7 3 3 X Q S S+ 0 0 175 1,-0.2 70,-0.0 70,-0.0 0, 0.0 0.673 107.0 23.9 -71.1 -20.0 -51.5 -18.1 -19.5 4 4 X I S S+ 0 0 94 69,-0.1 -1,-0.2 68,-0.0 69,-0.1 0.613 87.4 119.9-115.1 -19.9 -47.9 -19.0 -20.6 5 5 X R + 0 0 70 68,-0.2 2,-0.3 2,-0.0 68,-0.1 -0.238 33.1 163.2 -60.2 127.7 -48.1 -22.6 -21.6 6 6 X Q - 0 0 158 66,-0.5 3,-0.1 3,-0.0 -3,-0.0 -0.935 63.6 -9.9-151.4 124.5 -47.1 -23.1 -25.3 7 7 X N S S+ 0 0 94 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.805 92.7 130.8 60.3 30.9 -46.0 -26.3 -27.2 8 8 X Y - 0 0 10 64,-0.1 -1,-0.2 65,-0.0 114,-0.0 -0.888 47.0-148.9-122.3 100.1 -45.9 -28.2 -23.8 9 9 X S > - 0 0 20 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.239 21.6-124.5 -72.5 155.0 -47.8 -31.5 -24.0 10 10 X T H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.836 113.4 58.8 -61.7 -31.2 -49.5 -33.2 -21.1 11 11 X E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 108.0 42.7 -63.8 -46.9 -47.3 -36.2 -21.9 12 12 X V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.916 112.2 54.6 -66.0 -45.5 -44.1 -34.3 -21.4 13 13 X E H X S+ 0 0 28 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.928 111.4 45.0 -53.4 -47.4 -45.5 -32.6 -18.2 14 14 X A H X S+ 0 0 35 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.908 112.7 50.4 -63.8 -42.5 -46.3 -36.1 -16.7 15 15 X A H X S+ 0 0 16 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.849 107.9 53.8 -66.1 -35.2 -42.9 -37.5 -17.7 16 16 X V H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.934 108.2 49.8 -63.7 -44.4 -41.1 -34.5 -16.1 17 17 X N H X S+ 0 0 20 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.893 111.1 49.5 -60.5 -40.4 -43.0 -35.2 -12.8 18 18 X R H X S+ 0 0 153 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.909 109.5 51.5 -64.5 -39.8 -42.0 -38.8 -13.0 19 19 X L H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.870 105.8 55.2 -66.0 -36.6 -38.4 -37.8 -13.6 20 20 X V H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.929 108.1 49.1 -58.3 -47.3 -38.5 -35.5 -10.6 21 21 X N H X S+ 0 0 27 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.929 110.8 50.8 -59.8 -43.5 -39.6 -38.5 -8.5 22 22 X L H X S+ 0 0 50 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.895 111.5 46.9 -59.6 -44.0 -36.7 -40.6 -9.9 23 23 X Y H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.898 113.1 48.1 -67.6 -40.7 -34.1 -37.9 -9.1 24 24 X L H X S+ 0 0 39 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.894 111.2 51.7 -66.2 -38.7 -35.4 -37.4 -5.6 25 25 X R H X S+ 0 0 81 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.904 110.3 48.8 -61.1 -43.1 -35.4 -41.2 -5.1 26 26 X A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.917 109.2 52.6 -63.6 -41.8 -31.8 -41.3 -6.3 27 27 X S H X S+ 0 0 20 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.929 110.4 48.4 -57.5 -43.9 -30.9 -38.5 -3.9 28 28 X Y H X S+ 0 0 111 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.898 109.3 52.5 -64.5 -42.4 -32.5 -40.5 -1.0 29 29 X T H X S+ 0 0 21 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.927 110.4 47.8 -58.4 -44.6 -30.5 -43.6 -2.1 30 30 X Y H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.849 107.6 56.0 -69.2 -32.5 -27.3 -41.6 -2.0 31 31 X L H X S+ 0 0 66 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.925 110.4 45.3 -59.0 -46.5 -28.2 -40.2 1.4 32 32 X S H X S+ 0 0 34 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.915 112.7 50.7 -63.2 -45.7 -28.5 -43.8 2.7 33 33 X L H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.947 110.0 50.7 -57.6 -47.1 -25.2 -44.8 1.0 34 34 X G H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.934 112.1 45.0 -58.2 -50.3 -23.4 -41.8 2.5 35 35 X F H < S+ 0 0 105 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.822 106.9 59.8 -68.1 -27.0 -24.6 -42.6 6.1 36 36 X Y H >< S+ 0 0 30 -4,-2.2 3,-1.6 1,-0.2 7,-0.3 0.933 104.7 49.5 -62.5 -43.5 -23.9 -46.3 5.8 37 37 X F H 3< S+ 0 0 1 -4,-1.9 7,-2.5 1,-0.3 11,-0.3 0.652 104.4 60.8 -72.1 -12.5 -20.2 -45.5 5.1 38 38 X D T 3< S+ 0 0 80 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.478 78.0 117.7 -85.8 -10.1 -20.2 -43.2 8.2 39 39 X R S X> S- 0 0 82 -3,-1.6 4,-2.3 -4,-0.3 3,-2.1 -0.344 75.5-123.9 -59.0 143.1 -21.1 -46.2 10.4 40 40 X D T 34 S+ 0 0 153 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.762 112.9 52.0 -62.3 -24.3 -18.4 -46.9 13.0 41 41 X D T 34 S+ 0 0 98 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.244 120.8 32.1 -94.4 12.9 -18.1 -50.5 11.7 42 42 X V T <4 S+ 0 0 32 -3,-2.1 -2,-0.2 -5,-0.1 -5,-0.1 0.551 78.6 170.5-126.8 -63.4 -17.7 -49.3 8.1 43 43 X A < + 0 0 67 -4,-2.3 2,-0.4 -7,-0.3 -5,-0.2 0.906 14.3 146.4 55.4 61.2 -15.8 -46.0 8.5 44 44 X L >> - 0 0 15 -7,-2.5 4,-2.1 1,-0.1 3,-0.9 -0.775 21.4-177.6-126.1 88.9 -14.7 -45.0 5.0 45 45 X E H 3> S+ 0 0 71 -2,-0.4 4,-3.1 1,-0.3 5,-0.2 0.859 79.1 54.7 -60.2 -43.2 -14.9 -41.2 5.0 46 46 X G H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.824 110.5 46.3 -58.0 -34.9 -13.9 -40.7 1.4 47 47 X V H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 5,-0.2 0.870 110.5 52.3 -75.1 -45.8 -16.8 -43.0 0.3 48 48 X X H X S+ 0 0 50 -4,-2.1 4,-2.9 -11,-0.3 5,-0.2 0.978 114.0 48.1 -44.3 -46.0 -19.4 -41.1 2.8 49 49 X H H X S+ 0 0 99 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.935 109.2 50.6 -68.4 -42.3 -18.1 -37.9 0.9 50 50 X F H X S+ 0 0 25 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.941 116.7 40.0 -57.7 -50.4 -18.5 -39.3 -2.6 51 51 X F H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.859 111.7 54.8 -73.3 -34.3 -22.1 -40.4 -2.0 52 52 X R H X S+ 0 0 102 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.921 107.8 51.2 -64.0 -40.1 -23.1 -37.4 0.0 53 53 X E H X S+ 0 0 31 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.886 109.3 50.9 -61.6 -40.5 -22.0 -35.1 -2.9 54 54 X L H X S+ 0 0 4 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.871 104.3 57.0 -66.3 -37.0 -24.1 -37.3 -5.3 55 55 X A H X S+ 0 0 2 -4,-2.2 4,-2.0 -25,-0.2 -1,-0.2 0.932 109.4 46.9 -56.8 -42.6 -27.2 -36.9 -3.0 56 56 X E H X S+ 0 0 91 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.928 111.0 51.3 -65.1 -45.6 -26.8 -33.1 -3.4 57 57 X E H X S+ 0 0 93 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.889 110.3 48.5 -60.3 -42.7 -26.3 -33.4 -7.2 58 58 X K H X S+ 0 0 8 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.893 110.8 50.1 -67.3 -40.4 -29.5 -35.5 -7.6 59 59 X R H < S+ 0 0 126 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.919 110.3 51.2 -63.4 -40.3 -31.6 -33.1 -5.5 60 60 X E H < S+ 0 0 88 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.900 107.8 53.2 -60.6 -39.6 -30.2 -30.2 -7.6 61 61 X G H < 0 0 8 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.913 360.0 360.0 -61.0 -46.2 -31.3 -32.1 -10.7 62 62 X A < 0 0 6 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.921 360.0 360.0 -58.1 360.0 -34.8 -32.5 -9.4 63 ! 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 64 64 X R > 0 0 135 0, 0.0 4,-2.3 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -42.8 -33.8 -27.9 -12.1 65 65 X L H > + 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -3,-0.1 0.902 360.0 48.8 -59.9 -43.0 -36.6 -30.1 -13.5 66 66 X L H > S+ 0 0 42 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.906 110.3 50.6 -67.7 -40.4 -39.2 -28.5 -11.2 67 67 X K H > S+ 0 0 142 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.927 111.6 48.8 -60.9 -43.7 -38.0 -25.0 -12.2 68 68 X M H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 6,-0.2 0.904 106.4 56.6 -62.8 -43.5 -38.3 -26.0 -15.9 69 69 X Q H X>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-0.7 0.941 111.7 43.0 -51.7 -51.1 -41.8 -27.4 -15.3 70 70 X N H ><5S+ 0 0 94 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.883 109.0 57.4 -65.4 -38.5 -42.9 -24.0 -13.9 71 71 X Q H 3<5S+ 0 0 107 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.877 110.3 45.2 -60.8 -33.6 -41.2 -22.1 -16.7 72 72 X R H 3<5S- 0 0 28 -4,-2.1 -66,-0.5 -3,-0.2 -1,-0.2 0.555 119.9-108.1 -86.6 -8.4 -43.2 -24.0 -19.3 73 73 X G T <<5S+ 0 0 2 -3,-0.8 -3,-0.2 -4,-0.7 -68,-0.2 0.593 73.9 136.7 91.1 8.2 -46.5 -23.6 -17.4 74 74 X G < - 0 0 0 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.2 -0.241 53.7-116.5 -76.5 171.8 -46.7 -27.2 -16.3 75 75 X R - 0 0 111 -3,-0.1 2,-0.1 -2,-0.1 -58,-0.1 -0.960 17.8-128.7-124.0 120.0 -47.7 -28.2 -12.8 76 76 X A - 0 0 33 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.386 26.0-175.0 -62.0 133.3 -45.5 -30.0 -10.4 77 77 X L - 0 0 113 -2,-0.1 2,-0.3 -63,-0.1 -2,-0.0 -0.975 8.8-154.7-135.7 122.2 -47.0 -33.1 -8.8 78 78 X F - 0 0 128 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.711 8.7-168.7 -99.3 143.9 -45.2 -35.0 -6.1 79 79 X Q - 0 0 136 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.784 40.8 -68.7-121.3 169.2 -45.6 -38.6 -5.3 80 80 X D - 0 0 151 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.211 48.0-130.6 -51.5 146.5 -44.5 -40.8 -2.4 81 81 X L - 0 0 76 -57,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.912 20.6-135.0-107.2 112.9 -40.7 -41.3 -2.4 82 82 X Q - 0 0 108 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.359 23.8-107.1 -70.3 145.7 -39.9 -45.0 -2.1 83 83 X K - 0 0 142 1,-0.1 -1,-0.1 2,-0.1 -54,-0.1 -0.238 49.3 -80.4 -66.3 157.2 -37.1 -45.9 0.4 84 84 X P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 -0.170 40.6-109.9 -58.1 158.5 -33.8 -47.1 -1.1 85 85 X S S S+ 0 0 105 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.705 97.3 32.0 -67.0 -24.9 -33.4 -50.6 -2.3 86 86 X Q - 0 0 82 1,-0.1 3,-0.1 -57,-0.1 -54,-0.0 -0.934 53.3-156.4-132.9 156.0 -31.1 -51.7 0.6 87 87 X D S S+ 0 0 129 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.665 94.3 35.1 -94.9 -31.1 -30.5 -50.8 4.3 88 88 X E - 0 0 120 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.989 69.2-159.5-124.7 140.0 -26.9 -52.0 4.2 89 89 X W - 0 0 4 -2,-0.4 9,-0.2 1,-0.3 2,-0.1 0.304 21.4-145.8-112.0 9.3 -24.7 -51.5 1.2 90 90 X G - 0 0 31 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.390 55.6 -4.6 71.0-137.6 -21.9 -54.0 1.6 91 91 X T S > S- 0 0 57 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.359 73.2-102.4 -85.7 169.7 -18.4 -53.1 0.3 92 92 X T H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.912 126.9 54.2 -54.4 -41.8 -17.3 -50.0 -1.6 93 93 X L H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 108.4 47.0 -58.9 -49.2 -17.3 -52.3 -4.7 94 94 X D H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 114.4 48.1 -57.6 -45.4 -21.0 -53.3 -4.0 95 95 X A H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.898 110.5 49.6 -64.2 -43.0 -22.0 -49.7 -3.4 96 96 X M H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.900 110.6 51.2 -67.8 -38.0 -20.2 -48.4 -6.6 97 97 X K H X S+ 0 0 92 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.940 110.8 48.3 -60.2 -47.6 -22.0 -51.2 -8.6 98 98 X A H X S+ 0 0 26 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.878 110.5 53.2 -59.9 -37.8 -25.4 -50.2 -7.2 99 99 X A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.896 108.1 47.9 -66.9 -41.8 -24.6 -46.5 -8.0 100 100 X I H X S+ 0 0 22 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.902 111.3 51.4 -67.3 -37.7 -23.8 -47.2 -11.7 101 101 X V H X S+ 0 0 102 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.943 112.4 47.6 -58.8 -47.7 -27.0 -49.3 -12.0 102 102 X L H X S+ 0 0 30 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.936 112.7 46.9 -60.9 -47.8 -28.9 -46.3 -10.5 103 103 X E H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.875 109.4 54.1 -65.5 -38.1 -27.2 -43.8 -12.8 104 104 X K H X S+ 0 0 124 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.891 108.0 51.5 -60.6 -38.3 -27.8 -45.9 -15.9 105 105 X S H X S+ 0 0 63 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.885 110.9 46.7 -66.4 -38.2 -31.5 -46.0 -14.9 106 106 X L H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.935 111.8 51.9 -67.1 -45.3 -31.6 -42.2 -14.6 107 107 X N H X S+ 0 0 30 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.923 108.7 49.8 -56.2 -48.0 -29.8 -41.9 -18.0 108 108 X Q H X S+ 0 0 101 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.889 109.2 52.3 -60.4 -39.0 -32.3 -44.2 -19.7 109 109 X A H X S+ 0 0 20 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.891 109.7 49.4 -63.5 -37.9 -35.2 -42.1 -18.2 110 110 X L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.901 111.4 49.0 -64.7 -42.6 -33.5 -39.0 -19.7 111 111 X L H X S+ 0 0 74 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.905 110.5 50.7 -64.6 -41.6 -33.2 -40.6 -23.0 112 112 X D H X S+ 0 0 95 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.876 111.7 48.0 -61.8 -39.8 -36.8 -41.7 -22.9 113 113 X L H X S+ 0 0 7 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.902 110.0 51.6 -69.4 -41.3 -37.9 -38.2 -22.1 114 114 X H H X S+ 0 0 62 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.907 110.4 49.6 -58.8 -42.9 -35.7 -36.8 -24.9 115 115 X A H X S+ 0 0 58 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.883 110.7 49.8 -64.2 -40.3 -37.4 -39.2 -27.3 116 116 X L H X S+ 0 0 50 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.939 112.1 47.9 -62.2 -47.6 -40.8 -38.2 -26.1 117 117 X G H <>S+ 0 0 0 -4,-2.8 5,-2.8 2,-0.2 4,-0.3 0.881 111.2 50.2 -61.3 -42.1 -39.9 -34.5 -26.6 118 118 X S H ><5S+ 0 0 83 -4,-2.6 3,-1.2 3,-0.2 -1,-0.2 0.933 112.5 47.7 -60.3 -45.6 -38.6 -35.2 -30.0 119 119 X A H 3<5S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.842 112.9 48.5 -62.3 -35.3 -41.8 -37.0 -30.9 120 120 X Q T 3<5S- 0 0 69 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.399 114.1-119.0 -84.7 2.7 -43.9 -34.1 -29.4 121 121 X A T < 5 + 0 0 67 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.940 62.0 150.3 52.8 54.8 -41.8 -31.6 -31.4 122 122 X D >< + 0 0 2 -5,-2.8 4,-2.0 1,-0.1 3,-0.2 -0.751 17.1 170.4-117.2 80.2 -40.6 -29.9 -28.2 123 123 X P H > S+ 0 0 95 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.793 75.8 59.9 -66.5 -27.6 -37.1 -28.4 -29.0 124 124 X H H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.938 107.9 46.0 -62.2 -45.8 -37.0 -26.4 -25.7 125 125 X L H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.955 112.8 49.7 -58.2 -52.8 -37.3 -29.7 -23.8 126 126 X C H X S+ 0 0 20 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.904 113.6 46.1 -53.8 -48.6 -34.7 -31.4 -26.0 127 127 X D H X S+ 0 0 93 -4,-2.7 4,-3.6 1,-0.2 -1,-0.2 0.902 110.6 53.2 -59.0 -46.4 -32.2 -28.5 -25.5 128 128 X F H X S+ 0 0 16 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.883 111.4 45.1 -58.6 -43.7 -32.8 -28.4 -21.7 129 129 X L H X>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-1.7 0.896 116.1 47.1 -69.1 -41.0 -32.0 -32.1 -21.3 130 130 X E H <>S+ 0 0 47 -4,-2.2 5,-0.8 -5,-0.2 -2,-0.2 0.960 113.7 48.8 -60.4 -51.8 -29.0 -31.7 -23.5 131 131 X S H <5S+ 0 0 53 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.784 129.6 12.5 -61.9 -37.0 -27.8 -28.6 -21.7 132 132 X H H <5S+ 0 0 71 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.418 130.9 27.2-127.2 1.6 -28.0 -29.7 -18.1 133 133 X F T X5S+ 0 0 6 -4,-1.7 4,-2.2 -5,-0.2 5,-0.2 0.692 102.6 57.0-133.3 -50.7 -28.6 -33.5 -17.9 134 134 X L H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.913 110.3 47.1 -59.7 -41.9 -23.6 -34.6 -16.8 137 137 X E H X S+ 0 0 4 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.919 111.5 49.9 -67.6 -45.3 -24.9 -38.2 -16.7 138 138 X V H X S+ 0 0 82 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.934 112.7 47.2 -59.3 -45.4 -22.3 -39.4 -19.2 139 139 X K H X S+ 0 0 133 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.902 113.5 48.9 -62.1 -41.5 -19.4 -37.8 -17.3 140 140 X L H X S+ 0 0 18 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.931 110.3 49.1 -65.7 -46.6 -20.7 -39.2 -14.0 141 141 X I H X S+ 0 0 30 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.886 110.2 52.5 -62.9 -37.6 -21.1 -42.7 -15.4 142 142 X K H X S+ 0 0 128 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.928 109.6 49.2 -60.4 -46.5 -17.5 -42.6 -16.8 143 143 X K H X S+ 0 0 104 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.915 112.2 48.0 -60.9 -44.6 -16.2 -41.5 -13.4 144 144 X M H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.880 110.5 51.1 -64.8 -38.6 -18.0 -44.4 -11.7 145 145 X G H X S+ 0 0 22 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.916 109.9 50.6 -63.7 -41.9 -16.8 -46.9 -14.3 146 146 X D H X S+ 0 0 67 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.935 112.0 47.7 -57.4 -48.5 -13.2 -45.6 -13.7 147 147 X H H X S+ 0 0 22 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.930 109.5 52.5 -59.0 -48.6 -13.7 -46.1 -9.9 148 148 X L H X S+ 0 0 28 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.907 108.7 50.4 -53.2 -48.4 -15.1 -49.6 -10.4 149 149 X T H X S+ 0 0 68 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.916 113.0 46.0 -57.9 -42.1 -12.1 -50.6 -12.5 150 150 X N H X S+ 0 0 60 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.916 113.1 48.9 -70.7 -40.8 -9.7 -49.3 -9.8 151 151 X I H X S+ 0 0 15 -4,-3.0 4,-0.7 1,-0.2 3,-0.4 0.939 111.7 50.4 -60.1 -45.6 -11.6 -50.9 -7.0 152 152 X Q H >X S+ 0 0 95 -4,-2.9 3,-1.0 1,-0.2 4,-0.5 0.898 108.2 51.7 -62.6 -40.6 -11.7 -54.2 -8.9 153 153 X R H 3< S+ 0 0 168 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.793 108.7 54.0 -64.7 -29.1 -7.9 -54.1 -9.5 154 154 X L H 3< S+ 0 0 61 -4,-1.3 8,-0.3 -3,-0.4 -1,-0.2 0.580 84.3 82.2 -84.8 -11.3 -7.4 -53.6 -5.8 155 155 X V H X< + 0 0 58 -3,-1.0 3,-0.7 -4,-0.7 7,-0.2 0.938 58.4 139.6 -61.6 -47.2 -9.3 -56.6 -4.5 156 156 X G T 3< S- 0 0 68 -4,-0.5 3,-0.1 1,-0.3 -1,-0.1 -0.084 86.5 -52.9 45.6-135.3 -6.3 -58.9 -5.1 157 157 X S T 3 S+ 0 0 119 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.243 137.2 64.8-111.2 5.4 -6.1 -61.4 -2.2 158 158 X Q <> + 0 0 125 -3,-0.7 4,-2.3 -4,-0.2 5,-0.2 -0.665 58.5 164.8-128.6 72.9 -6.1 -58.6 0.3 159 159 X A H > S+ 0 0 56 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.852 74.8 52.2 -63.3 -40.6 -9.6 -57.0 -0.1 160 160 X G H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.944 111.0 48.3 -60.1 -48.2 -9.5 -55.0 3.2 161 161 X L H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.923 112.6 49.0 -55.2 -49.1 -6.1 -53.5 2.3 162 162 X G H X S+ 0 0 5 -4,-2.3 4,-2.3 -8,-0.3 -1,-0.2 0.885 109.6 51.2 -60.7 -39.9 -7.5 -52.6 -1.2 163 163 X E H X S+ 0 0 54 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.910 112.0 47.0 -66.6 -42.6 -10.6 -51.0 0.2 164 164 X Y H X S+ 0 0 134 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.940 112.4 49.3 -59.0 -51.4 -8.6 -48.8 2.5 165 165 X L H X S+ 0 0 61 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.890 109.5 50.9 -61.0 -40.6 -6.1 -47.7 -0.1 166 166 X F H X>S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 5,-1.8 0.936 112.6 46.9 -64.0 -42.6 -8.8 -46.8 -2.7 167 167 X E H <>S+ 0 0 4 -4,-1.9 5,-2.4 -5,-0.2 -2,-0.2 0.920 118.5 41.3 -64.3 -41.0 -10.6 -44.6 -0.1 168 168 X R H <5S+ 0 0 102 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.883 125.7 31.0 -72.6 -40.9 -7.4 -42.9 1.1 169 169 X L H <5S+ 0 0 139 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.643 131.9 23.0-103.6 -19.0 -5.7 -42.4 -2.3 170 170 X T T <5S+ 0 0 68 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.769 127.4 31.8-108.1 -50.4 -8.6 -41.9 -4.8 171 171 X L T