==== 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 24-FEB-10 3AF9 . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR S.ABE,T.HIKAGE,Y.WATANABE,S.KITAGAWA,T.UENO . 171 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 76.6 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 1.8 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 . 115 67.3 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 0 0 1 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 89 0, 0.0 72,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.5 -51.3 -20.8 -16.6 2 3 X Q + 0 0 192 1,-0.1 70,-0.0 3,-0.0 0, 0.0 0.261 360.0 59.2-109.7 10.0 -51.2 -18.0 -19.2 3 4 X I + 0 0 93 69,-0.1 -1,-0.1 2,-0.0 69,-0.1 0.614 66.6 121.4-113.2 -17.8 -47.7 -19.0 -20.4 4 5 X R + 0 0 85 68,-0.2 2,-0.3 2,-0.0 68,-0.1 -0.260 30.3 161.0 -62.5 131.7 -47.9 -22.6 -21.6 5 6 X Q - 0 0 157 66,-0.5 3,-0.1 3,-0.0 -3,-0.0 -0.921 64.7 -8.4-155.3 122.5 -46.8 -23.1 -25.2 6 7 X N S S+ 0 0 92 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.793 92.2 129.8 62.8 29.9 -45.7 -26.2 -27.0 7 8 X Y - 0 0 11 64,-0.1 -1,-0.2 117,-0.0 114,-0.0 -0.904 48.1-148.8-122.0 101.8 -45.6 -28.1 -23.7 8 9 X S > - 0 0 19 -2,-0.6 4,-2.3 1,-0.1 5,-0.1 -0.224 21.4-123.8 -74.3 156.0 -47.5 -31.4 -24.0 9 10 X T H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.852 113.4 58.8 -63.8 -29.4 -49.4 -33.1 -21.2 10 11 X E H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.930 108.3 43.0 -65.3 -46.0 -47.2 -36.2 -21.9 11 12 X V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.906 111.6 54.7 -64.1 -44.5 -44.0 -34.3 -21.3 12 13 X E H X S+ 0 0 31 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.932 111.8 44.2 -56.7 -47.2 -45.4 -32.5 -18.2 13 14 X A H X S+ 0 0 37 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.907 113.2 50.7 -63.3 -43.7 -46.3 -36.0 -16.7 14 15 X A H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.842 107.7 53.6 -64.4 -35.8 -42.9 -37.4 -17.7 15 16 X V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.934 107.8 50.6 -64.5 -43.9 -41.1 -34.4 -16.0 16 17 X N H X S+ 0 0 18 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.901 111.0 49.1 -59.8 -41.0 -43.0 -35.1 -12.8 17 18 X R H X S+ 0 0 151 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.912 109.1 52.1 -64.6 -40.0 -41.9 -38.8 -12.9 18 19 X L H X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.879 105.3 55.5 -65.6 -37.4 -38.3 -37.8 -13.5 19 20 X V H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.927 108.2 48.8 -56.5 -44.8 -38.5 -35.5 -10.5 20 21 X N H X S+ 0 0 26 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.927 110.4 50.8 -63.6 -41.8 -39.5 -38.5 -8.5 21 22 X L H X S+ 0 0 51 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.899 111.7 47.6 -61.8 -43.3 -36.7 -40.6 -9.9 22 23 X Y H X S+ 0 0 5 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.906 112.5 48.2 -63.8 -43.7 -34.2 -37.9 -9.0 23 24 X L H X S+ 0 0 41 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.892 111.7 50.6 -64.8 -39.0 -35.5 -37.5 -5.5 24 25 X R H X S+ 0 0 89 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.885 110.3 49.9 -60.6 -42.7 -35.4 -41.3 -5.1 25 26 X A H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.923 109.0 51.5 -64.9 -43.3 -31.8 -41.3 -6.3 26 27 X S H X S+ 0 0 17 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.922 110.7 49.5 -56.3 -44.0 -30.9 -38.5 -3.8 27 28 X Y H X S+ 0 0 104 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.909 109.6 51.3 -64.2 -42.2 -32.5 -40.7 -1.0 28 29 X T H X S+ 0 0 23 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.932 111.4 46.7 -58.8 -47.4 -30.6 -43.7 -2.1 29 30 X Y H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 25,-0.2 0.831 107.7 57.2 -65.7 -33.2 -27.3 -41.7 -2.0 30 31 X L H X S+ 0 0 64 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.934 109.6 45.7 -59.4 -46.0 -28.2 -40.3 1.4 31 32 X S H X S+ 0 0 33 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.918 113.8 48.3 -63.3 -45.6 -28.5 -43.9 2.6 32 33 X L H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.919 110.0 53.7 -58.1 -44.8 -25.2 -44.9 1.0 33 34 X G H < S+ 0 0 0 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.910 112.6 41.8 -60.2 -46.4 -23.5 -41.8 2.4 34 35 X F H < S+ 0 0 93 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.823 107.8 60.8 -74.5 -29.7 -24.6 -42.6 6.0 35 36 X Y H >< S+ 0 0 30 -4,-2.3 3,-1.4 1,-0.2 7,-0.3 0.919 104.6 49.0 -57.9 -45.4 -23.8 -46.4 5.7 36 37 X F T 3< S+ 0 0 0 -4,-1.9 7,-2.6 1,-0.3 11,-0.3 0.630 105.5 59.4 -75.5 -10.0 -20.1 -45.6 4.9 37 38 X D T 3 S+ 0 0 105 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.436 78.4 119.1 -89.6 -7.8 -20.1 -43.3 8.0 38 39 X R S X> S- 0 0 79 -3,-1.4 4,-2.7 -4,-0.3 3,-2.1 -0.367 75.0-124.5 -56.8 141.4 -21.0 -46.2 10.3 39 40 X D T 34 S+ 0 0 157 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.774 113.0 52.3 -62.9 -25.6 -18.3 -46.9 12.9 40 41 X D T 34 S+ 0 0 100 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.256 120.5 32.2 -93.1 11.3 -18.1 -50.5 11.7 41 42 X V T <4 S+ 0 0 33 -3,-2.1 -2,-0.2 -5,-0.1 -5,-0.1 0.561 78.3 171.4-125.4 -62.3 -17.7 -49.4 8.1 42 43 X A < + 0 0 66 -4,-2.7 2,-0.4 -7,-0.3 -5,-0.2 0.896 16.2 145.0 57.3 56.1 -15.7 -46.1 8.5 43 44 X L >> - 0 0 16 -7,-2.6 4,-2.5 1,-0.1 3,-0.6 -0.757 21.6-179.2-123.3 84.3 -14.7 -45.2 4.9 44 45 X E H 3> S+ 0 0 141 -2,-0.4 4,-2.8 1,-0.3 5,-0.2 0.832 77.6 53.3 -57.1 -42.5 -14.9 -41.4 5.0 45 46 X G H 3> S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 126,-0.5 0.870 111.9 47.0 -63.0 -35.1 -13.9 -40.9 1.3 46 47 X V H <> S+ 0 0 0 -3,-0.6 4,-2.2 2,-0.2 5,-0.2 0.928 111.9 49.8 -70.4 -47.6 -16.7 -43.3 0.2 47 48 X A H X S+ 0 0 9 -4,-2.5 4,-2.7 -11,-0.3 -2,-0.2 0.934 111.9 48.8 -53.7 -48.3 -19.3 -41.6 2.5 48 49 X H H X S+ 0 0 115 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.895 107.1 55.5 -62.8 -41.3 -18.3 -38.2 1.1 49 50 X F H X S+ 0 0 29 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.942 114.1 39.9 -55.0 -50.6 -18.6 -39.4 -2.5 50 51 X F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.866 112.1 55.2 -72.3 -33.3 -22.2 -40.6 -1.9 51 52 X R H X S+ 0 0 95 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.914 108.1 49.9 -64.7 -40.3 -23.2 -37.6 0.2 52 53 X E H X S+ 0 0 38 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.917 110.0 51.4 -61.6 -42.8 -22.1 -35.3 -2.6 53 54 X L H X S+ 0 0 5 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.889 104.5 57.2 -62.9 -37.8 -24.1 -37.4 -5.1 54 55 X A H X S+ 0 0 0 -4,-2.5 4,-1.9 -25,-0.2 -1,-0.2 0.925 109.7 44.8 -57.4 -44.7 -27.2 -37.1 -2.8 55 56 X E H X S+ 0 0 75 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.910 111.0 53.3 -68.5 -40.7 -26.9 -33.3 -3.0 56 57 X E H X S+ 0 0 101 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.887 110.5 46.8 -59.2 -43.0 -26.4 -33.3 -6.8 57 58 X K H X S+ 0 0 7 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.884 110.9 51.6 -70.6 -37.0 -29.5 -35.4 -7.4 58 59 X R H X S+ 0 0 73 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.927 110.1 50.2 -61.0 -44.7 -31.6 -33.2 -5.1 59 60 X E H X S+ 0 0 97 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.872 107.5 54.4 -59.4 -38.1 -30.3 -30.2 -7.1 60 61 X G H X S+ 0 0 8 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.911 107.3 49.8 -62.5 -47.4 -31.3 -32.0 -10.3 61 62 X A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.914 110.5 50.5 -56.8 -44.3 -34.9 -32.5 -9.1 62 63 X E H X S+ 0 0 101 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.875 109.1 51.4 -63.7 -36.7 -35.1 -28.8 -8.1 63 64 X R H X S+ 0 0 117 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.897 109.9 49.6 -65.5 -40.1 -33.9 -27.8 -11.6 64 65 X L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.895 111.1 49.8 -64.4 -40.5 -36.5 -30.0 -13.2 65 66 X L H X S+ 0 0 33 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.895 109.3 50.9 -66.6 -40.8 -39.2 -28.4 -10.9 66 67 X K H X S+ 0 0 137 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.933 111.7 48.4 -60.4 -45.4 -38.1 -24.9 -11.8 67 68 X M H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 6,-0.2 0.891 105.9 57.1 -61.6 -42.3 -38.3 -25.8 -15.5 68 69 X Q H X>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 4,-0.6 0.944 111.5 43.0 -53.9 -48.8 -41.8 -27.3 -15.0 69 70 X N H ><5S+ 0 0 95 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.877 108.9 57.7 -65.4 -38.6 -42.9 -23.9 -13.7 70 71 X Q H 3<5S+ 0 0 106 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.847 110.7 44.8 -60.5 -33.5 -41.1 -22.0 -16.4 71 72 X R H 3<5S- 0 0 27 -4,-2.0 -66,-0.5 -3,-0.2 -1,-0.2 0.536 119.0-109.6 -87.8 -8.7 -43.1 -24.0 -19.0 72 73 X G T <<5S+ 0 0 2 -3,-0.8 -3,-0.2 -4,-0.6 -68,-0.2 0.581 73.8 135.4 89.8 9.8 -46.4 -23.6 -17.2 73 74 X G < - 0 0 0 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.3 -0.308 53.9-117.3 -80.7 172.5 -46.6 -27.2 -16.2 74 75 X R - 0 0 118 -3,-0.1 2,-0.1 -2,-0.1 -58,-0.1 -0.968 17.2-125.9-124.0 122.8 -47.7 -28.2 -12.7 75 76 X A - 0 0 35 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.384 26.8-176.0 -59.9 132.2 -45.5 -30.1 -10.2 76 77 X L - 0 0 115 -2,-0.1 2,-0.3 -63,-0.1 -2,-0.0 -0.977 10.6-153.8-134.1 120.5 -47.2 -33.2 -8.8 77 78 X F - 0 0 125 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.675 8.4-167.4 -96.8 148.4 -45.3 -35.1 -6.2 78 79 X Q - 0 0 137 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.834 39.6 -72.8-122.6 167.8 -45.6 -38.8 -5.3 79 80 X D - 0 0 147 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.203 46.5-125.4 -54.7 146.7 -44.3 -40.9 -2.4 80 81 X L - 0 0 70 -57,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.910 21.7-132.8 -99.1 114.8 -40.6 -41.5 -2.4 81 82 X Q - 0 0 119 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.411 26.1-111.9 -61.3 136.3 -39.8 -45.2 -2.2 82 83 X K - 0 0 139 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.292 49.8 -79.3 -63.4 156.0 -37.2 -46.0 0.4 83 84 X P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 -0.193 40.2-111.8 -60.2 155.7 -33.9 -47.2 -1.0 84 85 X S S S+ 0 0 105 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.669 96.5 35.6 -64.3 -22.5 -33.6 -50.8 -2.2 85 86 X Q - 0 0 79 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.942 53.1-158.4-132.0 154.5 -31.1 -51.8 0.6 86 87 X D S S+ 0 0 129 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.686 93.5 34.0 -95.2 -29.2 -30.6 -50.9 4.3 87 88 X E - 0 0 120 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.991 69.2-158.1-129.8 138.2 -26.9 -52.0 4.2 88 89 X W - 0 0 4 -2,-0.4 9,-0.2 1,-0.3 2,-0.1 0.316 22.2-144.6-110.6 7.3 -24.7 -51.6 1.1 89 90 X G - 0 0 30 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.408 56.1 -4.3 73.0-139.2 -21.9 -54.2 1.4 90 91 X T S > S- 0 0 58 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.320 73.5-102.7 -85.4 170.1 -18.4 -53.3 0.2 91 92 X T H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.896 127.1 53.3 -55.5 -40.2 -17.3 -50.2 -1.7 92 93 X L H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.940 108.1 48.1 -61.1 -47.3 -17.4 -52.4 -4.7 93 94 X D H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.907 114.2 47.8 -57.6 -44.5 -21.0 -53.5 -4.1 94 95 X A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.903 110.7 49.1 -65.9 -44.9 -21.9 -49.8 -3.5 95 96 X M H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.878 110.7 51.8 -64.8 -38.4 -20.2 -48.5 -6.7 96 97 X K H X S+ 0 0 95 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.927 111.5 47.1 -60.1 -46.2 -21.9 -51.3 -8.7 97 98 X A H X S+ 0 0 29 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.872 110.9 52.7 -62.3 -37.3 -25.3 -50.2 -7.3 98 99 X A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.903 108.6 49.0 -67.8 -39.8 -24.5 -46.6 -8.0 99 100 X I H X S+ 0 0 16 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.903 110.7 50.8 -65.5 -40.3 -23.7 -47.3 -11.7 100 101 X V H X S+ 0 0 103 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.932 111.5 48.6 -60.2 -45.6 -26.9 -49.3 -12.0 101 102 X L H X S+ 0 0 31 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.925 111.7 48.6 -61.1 -46.4 -28.8 -46.3 -10.5 102 103 X E H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.895 108.5 53.3 -64.8 -39.6 -27.1 -43.8 -12.9 103 104 X K H X S+ 0 0 126 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.876 108.3 51.5 -62.0 -36.8 -27.8 -45.9 -15.9 104 105 X S H X S+ 0 0 61 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.902 112.0 45.5 -67.2 -39.0 -31.5 -46.0 -14.9 105 106 X L H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.925 112.4 51.7 -67.4 -44.3 -31.6 -42.2 -14.6 106 107 X N H X S+ 0 0 29 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.914 110.1 49.0 -57.9 -44.2 -29.7 -41.8 -17.9 107 108 X Q H X S+ 0 0 100 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.897 109.6 51.7 -65.0 -38.9 -32.2 -44.1 -19.6 108 109 X A H X S+ 0 0 19 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.908 110.8 48.5 -62.9 -41.9 -35.1 -42.1 -18.1 109 110 X L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.914 112.3 48.5 -61.3 -44.9 -33.5 -38.9 -19.5 110 111 X L H X S+ 0 0 76 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.910 110.4 51.4 -62.8 -42.0 -33.0 -40.5 -22.9 111 112 X D H X S+ 0 0 96 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.917 112.2 46.7 -60.6 -43.7 -36.7 -41.7 -22.9 112 113 X L H X S+ 0 0 7 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.888 110.1 52.2 -66.2 -39.9 -37.8 -38.1 -22.1 113 114 X H H X S+ 0 0 55 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.912 108.8 51.6 -60.9 -40.5 -35.6 -36.6 -24.8 114 115 X A H X S+ 0 0 59 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.906 109.4 49.3 -62.7 -42.8 -37.1 -39.0 -27.3 115 116 X L H X S+ 0 0 50 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.901 110.4 51.1 -61.7 -43.6 -40.6 -37.9 -26.2 116 117 X G H <>S+ 0 0 0 -4,-2.6 5,-3.1 2,-0.2 4,-0.3 0.893 110.8 48.1 -60.0 -40.8 -39.5 -34.3 -26.6 117 118 X S H ><5S+ 0 0 88 -4,-2.6 3,-1.2 3,-0.2 -2,-0.2 0.940 112.4 48.7 -65.3 -46.3 -38.2 -35.1 -30.1 118 119 X A H 3<5S+ 0 0 85 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.846 115.3 44.5 -58.3 -37.4 -41.5 -36.9 -30.9 119 120 X Q T 3<5S- 0 0 70 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.386 111.9-120.6 -88.8 2.0 -43.5 -33.9 -29.6 120 121 X A T < 5 + 0 0 66 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.942 60.4 150.7 51.7 53.8 -41.3 -31.3 -31.4 121 122 X D >< + 0 0 3 -5,-3.1 4,-2.0 -8,-0.2 -1,-0.2 -0.762 14.9 169.5-113.6 80.6 -40.3 -29.7 -28.0 122 123 X P H > S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.806 74.0 59.0 -67.9 -28.6 -36.8 -28.3 -28.6 123 124 X H H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.945 110.1 44.6 -62.5 -43.4 -36.7 -26.3 -25.3 124 125 X L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.947 112.6 49.7 -63.5 -48.6 -37.2 -29.5 -23.4 125 126 X C H X S+ 0 0 32 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.911 114.2 44.9 -62.7 -41.1 -34.7 -31.6 -25.3 126 127 X D H X S+ 0 0 101 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.855 109.9 55.0 -68.8 -37.9 -32.0 -29.0 -25.0 127 128 X F H X S+ 0 0 13 -4,-2.1 4,-2.4 -5,-0.2 5,-0.3 0.928 109.4 47.9 -59.8 -44.5 -32.7 -28.4 -21.3 128 129 X L H X>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 4,-1.5 0.881 113.2 47.6 -65.4 -39.6 -32.2 -32.1 -20.6 129 130 X E H <>S+ 0 0 70 -4,-1.8 5,-1.9 -5,-0.2 6,-0.3 0.963 115.1 44.6 -65.5 -49.9 -29.0 -32.3 -22.6 130 131 X S H <5S+ 0 0 58 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.879 125.8 26.8 -63.9 -46.4 -27.5 -29.2 -21.0 131 132 X H H <5S+ 0 0 80 -4,-2.4 -1,-0.2 -5,-0.2 -3,-0.2 0.657 136.9 11.2 -94.6 -14.4 -28.3 -29.9 -17.3 132 133 X F T X5S+ 0 0 5 -4,-1.5 4,-2.6 -5,-0.3 -3,-0.2 0.727 113.7 54.8-133.3 -58.3 -28.6 -33.7 -17.2 133 134 X L H > S+ 0 0 48 -6,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.893 109.1 53.3 -63.0 -40.7 -23.5 -34.7 -16.5 136 137 X E H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.925 107.0 50.5 -60.9 -46.5 -24.7 -38.3 -16.6 137 138 X V H X S+ 0 0 97 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.942 113.8 45.7 -58.6 -45.4 -22.1 -39.3 -19.2 138 139 X K H X S+ 0 0 145 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.906 114.7 47.1 -62.8 -42.6 -19.3 -37.7 -17.1 139 140 X L H X S+ 0 0 19 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.924 111.5 49.8 -68.1 -43.5 -20.5 -39.3 -13.8 140 141 X I H X S+ 0 0 34 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.893 109.8 51.6 -63.2 -39.5 -20.9 -42.7 -15.3 141 142 X K H X S+ 0 0 130 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.934 110.2 49.4 -61.2 -46.1 -17.4 -42.6 -16.8 142 143 X K H X S+ 0 0 114 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.911 112.0 48.0 -58.8 -46.5 -16.0 -41.6 -13.3 143 144 X M H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.873 110.7 50.9 -62.5 -38.0 -17.9 -44.5 -11.7 144 145 X G H X S+ 0 0 25 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.912 110.2 49.9 -63.9 -42.9 -16.7 -46.9 -14.3 145 146 X D H X S+ 0 0 68 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.916 112.5 48.3 -58.2 -47.2 -13.1 -45.7 -13.7 146 147 X H H X S+ 0 0 23 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.934 108.8 52.5 -59.8 -47.9 -13.7 -46.2 -9.9 147 148 X L H X S+ 0 0 24 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.896 108.6 51.5 -54.8 -44.1 -15.1 -49.7 -10.4 148 149 X T H X S+ 0 0 65 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.919 112.8 44.1 -60.4 -45.0 -12.0 -50.7 -12.4 149 150 X N H X S+ 0 0 59 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.909 113.5 50.4 -68.7 -41.6 -9.6 -49.4 -9.8 150 151 X I H >X S+ 0 0 14 -4,-3.1 4,-0.6 1,-0.2 3,-0.5 0.949 111.7 49.6 -56.5 -48.6 -11.7 -51.0 -7.0 151 152 X Q H >X S+ 0 0 95 -4,-2.8 3,-1.0 1,-0.2 4,-0.6 0.886 108.3 51.5 -61.8 -40.6 -11.7 -54.3 -8.9 152 153 X R H 3< S+ 0 0 165 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.803 107.9 55.2 -69.1 -22.9 -7.9 -54.3 -9.5 153 154 X L H << S+ 0 0 59 -4,-1.4 8,-0.3 -3,-0.5 -1,-0.2 0.534 85.1 81.5 -86.2 -8.6 -7.4 -53.7 -5.7 154 155 X V H << + 0 0 59 -3,-1.0 3,-0.5 -4,-0.6 7,-0.3 0.976 57.9 136.0 -62.2 -54.5 -9.3 -56.8 -4.5 155 156 X G S < S- 0 0 69 -4,-0.6 3,-0.2 1,-0.2 -1,-0.1 -0.150 87.5 -46.2 49.1-133.5 -6.4 -59.2 -5.1 156 157 X S S S+ 0 0 116 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.493 137.3 59.7-102.3 -11.6 -6.1 -61.6 -2.1 157 158 X Q > + 0 0 110 -3,-0.5 4,-2.2 -4,-0.2 5,-0.2 -0.749 57.3 169.8-122.9 82.7 -6.4 -58.8 0.5 158 159 X A H > S+ 0 0 56 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.872 77.7 54.9 -61.0 -42.1 -9.8 -57.1 -0.0 159 160 X G H > S+ 0 0 55 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.935 109.1 47.0 -57.4 -50.4 -9.5 -55.1 3.2 160 161 X L H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.921 113.8 48.2 -56.2 -47.7 -6.2 -53.6 2.2 161 162 X G H X S+ 0 0 5 -4,-2.2 4,-2.2 -8,-0.3 5,-0.2 0.891 110.7 51.1 -63.3 -39.8 -7.5 -52.7 -1.3 162 163 X E H X S+ 0 0 52 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.918 112.0 46.3 -65.1 -42.5 -10.6 -51.1 0.1 163 164 X Y H X S+ 0 0 136 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.938 112.8 50.1 -62.3 -48.2 -8.7 -48.9 2.6 164 165 X L H X S+ 0 0 61 -4,-2.6 4,-3.1 1,-0.2 5,-0.4 0.882 109.1 50.5 -62.9 -39.3 -6.2 -47.9 -0.1 165 166 X F H X>S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 5,-1.6 0.938 112.9 46.3 -63.9 -46.9 -8.8 -46.9 -2.7 166 167 X E H <5S+ 0 0 6 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.914 119.2 41.8 -61.0 -40.6 -10.6 -44.8 -0.1 167 168 X R H <5S+ 0 0 120 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.892 125.5 30.2 -72.5 -42.6 -7.4 -43.2 1.0 168 169 X L H <5S+ 0 0 138 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.652 130.1 27.0-101.8 -19.0 -5.7 -42.6 -2.4 169 170 X T T <5S+ 0 0 70 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.787 110.4 61.1-107.1 -46.7 -8.5 -42.1 -4.8 170 171 X L < 0 0 10 -5,-1.6 -125,-0.1 -4,-0.0 -124,-0.1 -0.302 360.0 360.0 -90.2 164.8 -11.4 -40.6 -2.8 171 172 X K 0 0 99 -126,-0.5 -126,-0.1 -127,-0.1 -125,-0.0 0.504 360.0 360.0 18.8 360.0 -12.0 -37.4 -0.7