==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 18-JAN-13 4ITW . COMPND 2 MOLECULE: FERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDO-NITZSCHIA MULTISERIES; . AUTHOR S.PFAFFEN,M.E.P.MURPHY . 1254 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52966.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1049 83.7 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 . 6 0.5 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 . 25 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 896 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.9 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 1 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 9 2 13 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 . 3 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 A E > 0 0 139 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 96.3 -63.0 -8.7 -94.4 2 3 A E H > + 0 0 122 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.957 360.0 54.5 -62.3 -46.6 -63.1 -6.2 -91.6 3 4 A L H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.904 109.8 45.2 -56.0 -47.2 -63.2 -9.1 -89.1 4 5 A L H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 114.0 49.0 -62.4 -42.1 -60.1 -10.7 -90.5 5 6 A D H X S+ 0 0 87 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.903 112.5 48.2 -62.5 -45.2 -58.2 -7.4 -90.6 6 7 A L H X S+ 0 0 21 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.825 108.2 54.5 -64.9 -35.7 -59.2 -6.5 -87.0 7 8 A F H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.910 111.0 45.7 -67.1 -38.8 -58.2 -10.0 -85.9 8 9 A N H X S+ 0 0 19 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.892 109.7 53.4 -70.5 -39.3 -54.7 -9.4 -87.4 9 10 A R H X S+ 0 0 143 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.834 104.2 58.3 -60.6 -31.5 -54.5 -6.0 -85.9 10 11 A Q H X S+ 0 0 2 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.938 104.4 50.0 -68.0 -41.8 -55.3 -7.6 -82.5 11 12 A V H X S+ 0 0 3 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.921 111.3 48.8 -55.6 -47.0 -52.2 -9.8 -82.7 12 13 A T H X S+ 0 0 21 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.901 109.8 52.5 -61.4 -41.0 -50.1 -6.8 -83.6 13 14 A Q H X S+ 0 0 43 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.873 107.7 51.1 -64.6 -39.6 -51.5 -4.9 -80.6 14 15 A E H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.949 114.5 42.7 -65.1 -46.4 -50.7 -7.7 -78.2 15 16 A F H X S+ 0 0 11 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.809 112.6 53.6 -70.7 -30.1 -47.1 -7.8 -79.3 16 17 A T H X S+ 0 0 26 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.937 110.3 47.3 -64.3 -45.0 -46.9 -4.0 -79.4 17 18 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.932 108.3 55.7 -64.6 -44.5 -48.1 -4.0 -75.8 18 19 A S H X S+ 0 0 4 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.909 111.0 44.7 -49.4 -47.1 -45.6 -6.7 -74.9 19 20 A Q H X S+ 0 0 13 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.884 111.1 52.4 -67.6 -39.2 -42.7 -4.5 -76.3 20 21 A V H X S+ 0 0 23 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.958 109.5 49.5 -65.2 -47.3 -44.0 -1.3 -74.6 21 22 A Y H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.909 110.7 51.2 -50.4 -47.1 -44.1 -3.2 -71.3 22 23 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.902 107.4 52.2 -57.4 -42.4 -40.5 -4.3 -72.1 23 24 A S H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.940 109.2 50.4 -62.3 -41.5 -39.5 -0.7 -72.7 24 25 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.913 108.1 52.9 -60.2 -44.5 -41.0 0.2 -69.3 25 26 A S H X S+ 0 0 3 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.907 109.3 49.7 -54.4 -43.3 -39.0 -2.6 -67.6 26 27 A I H X S+ 0 0 8 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.950 111.1 47.8 -67.0 -45.5 -35.8 -1.2 -69.2 27 28 A W H X S+ 0 0 26 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.955 113.3 48.9 -63.7 -46.5 -36.5 2.4 -68.0 28 29 A F H ><>S+ 0 0 0 -4,-3.1 5,-2.8 1,-0.2 3,-0.6 0.952 113.9 45.0 -57.4 -52.5 -37.3 1.1 -64.5 29 30 A D H ><5S+ 0 0 37 -4,-3.1 3,-1.4 1,-0.2 -2,-0.2 0.902 111.0 52.1 -56.6 -42.7 -34.1 -1.0 -64.4 30 31 A Q H 3<5S+ 0 0 71 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.782 114.0 45.8 -65.1 -26.3 -31.9 1.7 -65.8 31 32 A N T <<5S- 0 0 61 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.164 120.5-108.9-104.2 15.2 -33.3 4.1 -63.1 32 33 A D T < 5S+ 0 0 30 -3,-1.4 2,-0.7 1,-0.2 -3,-0.2 0.810 76.7 132.0 65.9 38.9 -32.9 1.5 -60.3 33 34 A W >< + 0 0 13 -5,-2.8 4,-2.2 1,-0.2 5,-0.2 -0.737 23.9 166.2-111.9 73.1 -36.6 0.7 -59.7 34 35 A E H > + 0 0 57 -2,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.831 69.3 53.1 -68.8 -28.8 -36.0 -3.1 -59.8 35 36 A G H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.942 113.0 43.1 -71.3 -46.1 -39.5 -4.0 -58.3 36 37 A M H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.887 112.3 55.6 -60.6 -35.8 -41.4 -2.0 -61.0 37 38 A A H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.918 107.9 48.2 -66.4 -40.1 -39.0 -3.4 -63.7 38 39 A A H X S+ 0 0 61 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.908 109.5 52.1 -68.3 -37.5 -39.9 -6.9 -62.7 39 40 A Y H X S+ 0 0 61 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.917 112.2 45.6 -60.2 -48.0 -43.6 -6.2 -62.7 40 41 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.876 110.5 54.8 -66.5 -36.2 -43.3 -4.7 -66.2 41 42 A L H X S+ 0 0 72 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.917 108.5 47.5 -63.2 -43.2 -41.2 -7.6 -67.4 42 43 A A H X S+ 0 0 63 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.893 111.8 50.7 -65.6 -38.0 -43.8 -10.1 -66.2 43 44 A E H X S+ 0 0 8 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.873 104.9 56.9 -67.2 -37.3 -46.5 -8.1 -67.9 44 45 A S H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.937 109.2 46.9 -54.5 -44.1 -44.4 -8.1 -71.2 45 46 A A H X S+ 0 0 39 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.905 110.7 51.6 -66.8 -38.6 -44.4 -12.0 -71.1 46 47 A E H X S+ 0 0 56 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.892 108.1 51.3 -69.0 -38.8 -48.1 -12.2 -70.4 47 48 A E H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.888 107.9 51.9 -63.3 -40.1 -49.0 -9.9 -73.3 48 49 A R H X S+ 0 0 13 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.930 107.1 54.5 -61.9 -40.4 -46.9 -12.0 -75.7 49 50 A E H X S+ 0 0 114 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.915 106.5 52.0 -61.5 -38.1 -48.9 -15.0 -74.4 50 51 A H H X S+ 0 0 20 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.919 108.9 48.9 -59.4 -45.7 -52.1 -13.2 -75.3 51 52 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.929 111.1 50.4 -59.4 -47.7 -50.8 -12.6 -78.8 52 53 A L H X S+ 0 0 22 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.806 107.1 55.3 -58.0 -32.0 -49.8 -16.3 -79.1 53 54 A G H X S+ 0 0 25 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.892 109.3 45.8 -67.4 -45.4 -53.3 -17.2 -77.9 54 55 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.888 111.8 52.6 -64.1 -38.2 -54.9 -15.2 -80.7 55 56 A V H X S+ 0 0 6 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.938 110.2 47.8 -62.8 -44.6 -52.5 -16.6 -83.2 56 57 A D H X S+ 0 0 71 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.959 113.8 46.8 -63.4 -49.4 -53.4 -20.2 -82.1 57 58 A F H X S+ 0 0 7 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.897 111.4 51.3 -54.8 -49.0 -57.1 -19.5 -82.3 58 59 A A H <>S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 4,-0.3 0.936 109.3 50.3 -57.1 -49.5 -56.8 -17.9 -85.7 59 60 A N H ><5S+ 0 0 11 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.958 112.8 47.0 -55.6 -49.1 -54.8 -20.9 -87.1 60 61 A K H 3<5S+ 0 0 48 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.898 116.4 44.7 -60.9 -37.1 -57.6 -23.3 -85.8 61 62 A R T 3<5S- 0 0 68 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.321 113.0-116.2 -92.3 9.4 -60.3 -21.2 -87.2 62 63 A N T < 5 + 0 0 131 -3,-1.7 -3,-0.2 -4,-0.3 -4,-0.1 0.867 61.0 151.0 59.2 35.8 -58.6 -20.6 -90.6 63 64 A I < - 0 0 13 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.923 51.0-125.4 -95.6 111.7 -58.3 -16.8 -90.1 64 65 A P - 0 0 80 0, 0.0 2,-0.5 0, 0.0 -56,-0.1 -0.389 29.3-161.5 -65.9 128.2 -55.2 -16.1 -92.2 65 66 A I - 0 0 6 -2,-0.1 2,-0.4 594,-0.1 -61,-0.0 -0.957 14.3-177.5-107.8 134.3 -52.6 -14.4 -90.0 66 67 A E - 0 0 123 -2,-0.5 2,-0.2 593,-0.0 639,-0.0 -0.970 29.7-125.0-127.5 123.8 -49.7 -12.4 -91.3 67 68 A L - 0 0 11 -2,-0.4 2,-0.2 585,-0.1 3,-0.1 -0.403 26.7-156.8 -65.4 126.6 -47.3 -11.0 -88.7 68 69 A Q - 0 0 93 -60,-0.2 -1,-0.0 -2,-0.2 635,-0.0 -0.539 33.1 -77.0 -93.3 169.8 -46.8 -7.3 -89.0 69 70 A A - 0 0 47 -2,-0.2 -1,-0.2 636,-0.1 -53,-0.1 -0.310 37.7-132.3 -60.7 148.4 -43.9 -5.3 -87.7 70 71 A V B -A 703 0A 4 633,-2.4 633,-3.1 -55,-0.1 -1,-0.1 -0.939 32.0-128.9-101.5 112.1 -43.8 -4.5 -84.0 71 72 A P - 0 0 64 0, 0.0 3,-0.1 0, 0.0 -52,-0.1 -0.244 24.2 -96.5 -68.0 150.8 -43.1 -0.8 -83.8 72 73 A A - 0 0 39 1,-0.1 630,-0.1 2,-0.0 629,-0.1 -0.395 47.2-106.0 -59.9 135.9 -40.3 0.6 -81.6 73 74 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 627,-0.1 -0.415 39.5-175.5 -63.4 140.5 -41.8 1.8 -78.3 74 75 A V > + 0 0 110 2,-0.1 3,-2.2 -3,-0.1 4,-0.3 0.813 62.9 71.4-112.0 -34.5 -41.8 5.5 -78.3 75 76 A S G >> S+ 0 0 54 1,-0.3 3,-2.0 2,-0.2 4,-0.7 0.791 84.8 74.7 -54.3 -28.4 -43.0 6.9 -74.9 76 77 A X G 34 S+ 0 0 46 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.707 81.6 68.5 -64.2 -15.9 -39.7 5.8 -73.3 77 78 A A G <4 S+ 0 0 57 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.815 110.0 33.4 -75.7 -22.2 -37.8 8.6 -74.8 78 79 A E T <4 S+ 0 0 167 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.423 85.5 118.2-114.4 1.7 -39.6 11.2 -72.8 79 80 A W < + 0 0 17 -4,-0.7 4,-0.0 -3,-0.2 -3,-0.0 -0.487 24.7 164.0 -63.8 132.8 -40.3 9.3 -69.4 80 81 A S + 0 0 98 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.440 60.6 24.5-131.4 1.5 -38.6 11.1 -66.6 81 82 A S S >> S- 0 0 35 1,-0.1 4,-1.4 0, 0.0 3,-1.0 -0.981 83.2-103.4-153.6 159.8 -40.3 9.6 -63.4 82 83 A P H 3> S+ 0 0 10 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.874 119.1 63.2 -54.9 -39.0 -42.1 6.4 -62.5 83 84 A E H 3> S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.888 100.4 51.2 -48.0 -42.7 -45.4 8.4 -62.7 84 85 A D H <> S+ 0 0 58 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.884 111.0 48.9 -64.1 -39.1 -44.8 9.1 -66.4 85 86 A V H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 3,-0.2 0.961 111.4 47.4 -65.3 -52.4 -44.2 5.3 -67.1 86 87 A W H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.835 109.5 54.7 -60.8 -35.8 -47.3 4.1 -65.3 87 88 A Q H X S+ 0 0 69 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.906 108.8 47.4 -61.7 -43.2 -49.4 6.7 -67.1 88 89 A S H X S+ 0 0 21 -4,-1.8 4,-2.3 -3,-0.2 -2,-0.2 0.891 111.2 52.6 -63.6 -39.1 -48.2 5.5 -70.5 89 90 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.888 107.1 51.3 -67.0 -39.8 -48.9 1.9 -69.4 90 91 A L H X S+ 0 0 22 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.936 111.4 48.1 -57.7 -48.2 -52.5 2.9 -68.3 91 92 A E H X S+ 0 0 93 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.864 109.2 53.5 -57.9 -40.1 -53.0 4.5 -71.8 92 93 A L H X S+ 0 0 18 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.908 110.2 47.6 -58.2 -47.1 -51.6 1.3 -73.4 93 94 A E H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.916 109.3 53.3 -67.7 -36.9 -54.2 -0.8 -71.5 94 95 A Q H X S+ 0 0 64 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.915 111.8 45.7 -62.3 -39.6 -57.0 1.6 -72.4 95 96 A A H X S+ 0 0 30 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.912 108.6 55.1 -68.2 -45.3 -56.0 1.1 -76.1 96 97 A N H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.908 110.4 49.3 -51.9 -42.1 -55.7 -2.7 -75.7 97 98 A T H X S+ 0 0 25 -4,-2.2 4,-2.5 2,-0.2 3,-0.3 0.926 111.0 45.6 -69.3 -44.5 -59.3 -2.6 -74.4 98 99 A R H X S+ 0 0 148 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.917 110.5 56.1 -64.3 -40.0 -60.7 -0.5 -77.2 99 100 A S H X S+ 0 0 19 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.756 110.7 44.2 -59.6 -30.8 -58.8 -2.8 -79.7 100 101 A L H X S+ 0 0 2 -4,-1.4 4,-2.6 -3,-0.3 -1,-0.2 0.831 112.7 50.9 -82.8 -37.8 -60.6 -5.8 -78.2 101 102 A L H X S+ 0 0 56 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.902 108.3 52.9 -69.3 -37.4 -64.0 -4.1 -78.1 102 103 A N H X S+ 0 0 94 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.924 111.1 46.5 -55.3 -54.2 -63.6 -3.1 -81.8 103 104 A L H X S+ 0 0 0 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.910 111.2 51.6 -54.2 -49.9 -62.9 -6.7 -82.6 104 105 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.897 108.4 52.4 -58.2 -40.2 -65.8 -7.9 -80.6 105 106 A E H X S+ 0 0 68 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.930 109.1 48.7 -60.9 -44.0 -68.1 -5.4 -82.4 106 107 A A H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.936 113.0 48.0 -59.9 -46.5 -67.0 -6.7 -85.8 107 108 A A H <>S+ 0 0 0 -4,-2.3 5,-3.2 2,-0.2 -2,-0.2 0.905 109.4 53.9 -60.3 -44.1 -67.6 -10.3 -84.7 108 109 A S H ><5S+ 0 0 37 -4,-2.7 3,-2.1 3,-0.2 -2,-0.2 0.951 108.1 48.7 -56.8 -52.5 -71.0 -9.3 -83.3 109 110 A T H 3<5S+ 0 0 104 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.915 113.5 47.4 -53.3 -46.9 -72.0 -7.8 -86.7 110 111 A C T 3<5S- 0 0 59 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 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