==== 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 23-JAN-13 4IWK . COMPND 2 MOLECULE: FERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDO-NITZSCHIA MULTISERIES; . AUTHOR S.PFAFFEN,M.E.P.MURPHY . 949 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42174.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 796 83.9 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 . 2 0.2 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 . 18 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 681 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 0 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 6 1 11 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 . 1 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 A S > 0 0 79 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 113.2 2.6 -4.2 -66.8 2 2 A E H > + 0 0 119 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.867 360.0 58.1 -58.9 -43.3 2.0 -2.3 -63.7 3 3 A E H > S+ 0 0 105 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.934 106.6 45.8 -55.5 -46.3 -1.6 -3.2 -64.2 4 4 A L H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.951 114.1 47.7 -69.1 -45.7 -0.8 -6.9 -64.1 5 5 A L H X S+ 0 0 59 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.883 113.7 47.9 -60.9 -41.5 1.5 -6.7 -61.0 6 6 A D H X S+ 0 0 81 -4,-2.9 4,-3.2 1,-0.2 -1,-0.2 0.927 112.0 49.6 -64.0 -41.9 -1.1 -4.6 -59.1 7 7 A L H X S+ 0 0 20 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.851 109.7 51.5 -69.2 -32.0 -4.0 -7.0 -60.0 8 8 A F H >X S+ 0 0 0 -4,-2.3 4,-1.4 -5,-0.2 3,-0.5 0.967 112.1 45.7 -65.8 -48.8 -1.9 -10.0 -58.9 9 9 A N H 3X S+ 0 0 23 -4,-2.3 4,-1.9 1,-0.2 3,-0.4 0.926 111.9 52.7 -55.0 -48.0 -1.3 -8.2 -55.6 10 10 A R H 3X S+ 0 0 145 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.787 101.7 60.6 -58.2 -32.4 -5.0 -7.4 -55.4 11 11 A Q H S+ 0 0 0 -4,-2.9 5,-2.9 2,-0.2 3,-0.5 0.930 114.3 47.5 -60.0 -43.1 -23.9 -19.3 -37.8 30 30 A D H ><5S+ 0 0 37 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.905 110.3 52.8 -68.5 -38.4 -22.3 -20.5 -34.5 31 31 A Q H 3<5S+ 0 0 83 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.748 113.0 44.6 -64.2 -27.3 -23.9 -17.7 -32.5 32 32 A N T 3<5S- 0 0 62 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.217 120.5-107.2-106.5 20.1 -27.2 -18.6 -33.9 33 33 A D T < 5S+ 0 0 32 -3,-1.6 2,-0.6 1,-0.1 -3,-0.2 0.784 77.3 131.7 62.8 35.9 -26.8 -22.4 -33.4 34 34 A W >< + 0 0 11 -5,-2.9 4,-2.3 1,-0.2 5,-0.2 -0.691 22.6 164.0-106.8 72.7 -26.3 -23.4 -37.0 35 35 A E H > + 0 0 53 -2,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.798 69.1 54.5 -68.3 -28.7 -23.2 -25.5 -36.2 36 36 A G H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.955 112.0 42.5 -68.8 -46.5 -23.3 -27.4 -39.6 37 37 A M H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.877 112.8 56.3 -68.4 -33.5 -23.4 -24.2 -41.7 38 38 A A H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.918 106.2 48.4 -64.9 -43.1 -20.7 -22.7 -39.4 39 39 A A H X S+ 0 0 59 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.910 110.3 52.3 -67.2 -32.9 -18.4 -25.7 -40.0 40 40 A Y H X S+ 0 0 37 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.918 111.0 47.3 -61.2 -48.8 -18.9 -25.3 -43.8 41 41 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.892 110.5 52.1 -62.9 -41.9 -18.0 -21.6 -43.5 42 42 A L H X S+ 0 0 69 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.908 108.2 51.0 -59.5 -39.8 -14.9 -22.4 -41.4 43 43 A A H X S+ 0 0 63 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.910 112.4 47.3 -66.0 -44.0 -13.6 -24.9 -44.0 44 44 A E H X S+ 0 0 18 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.849 105.2 58.0 -66.2 -33.5 -14.1 -22.3 -46.7 45 45 A S H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.912 110.8 44.4 -59.6 -39.8 -12.3 -19.6 -44.7 46 46 A A H X S+ 0 0 39 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.892 111.9 52.8 -70.4 -38.0 -9.3 -22.0 -44.6 47 47 A E H X S+ 0 0 59 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.908 108.2 49.9 -65.8 -42.7 -9.6 -22.9 -48.4 48 48 A E H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.901 108.5 52.4 -67.9 -35.3 -9.6 -19.2 -49.4 49 49 A R H X S+ 0 0 14 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.947 107.6 53.0 -62.2 -41.1 -6.5 -18.5 -47.3 50 50 A E H X S+ 0 0 111 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.896 107.1 52.4 -56.7 -38.9 -4.9 -21.5 -49.2 51 51 A H H X S+ 0 0 21 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.937 109.9 47.3 -58.9 -47.5 -5.9 -19.8 -52.5 52 52 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.910 111.7 51.0 -61.5 -43.1 -4.2 -16.6 -51.4 53 53 A L H X S+ 0 0 23 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.863 106.8 54.5 -60.1 -36.0 -1.1 -18.5 -50.3 54 54 A G H X S+ 0 0 26 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.893 109.3 47.8 -62.4 -43.8 -1.0 -20.3 -53.7 55 55 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.927 111.5 49.8 -64.7 -41.0 -0.9 -16.8 -55.4 56 56 A V H X S+ 0 0 5 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.944 110.8 50.2 -65.6 -42.0 1.9 -15.5 -53.0 57 57 A D H X S+ 0 0 77 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.935 113.7 44.4 -63.1 -45.7 4.0 -18.7 -53.7 58 58 A F H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.937 112.6 52.1 -67.5 -38.9 3.6 -18.3 -57.5 59 59 A A H <>S+ 0 0 0 -4,-2.7 5,-3.1 1,-0.2 -1,-0.2 0.936 109.1 50.6 -60.7 -42.9 4.3 -14.5 -57.3 60 60 A N H ><5S+ 0 0 13 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.937 113.0 45.5 -58.1 -46.0 7.5 -15.2 -55.3 61 61 A K H 3<5S+ 0 0 43 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.858 116.1 46.0 -68.1 -34.4 8.7 -17.7 -58.0 62 62 A R T 3<5S- 0 0 67 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.200 113.8-114.4 -92.7 8.6 7.8 -15.4 -60.9 63 63 A N T < 5 + 0 0 135 -3,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.835 64.4 149.1 58.2 39.8 9.4 -12.3 -59.3 64 64 A I < - 0 0 2 -5,-3.1 -1,-0.2 -6,-0.2 2,-0.1 -0.874 49.0-128.1 -97.9 116.9 6.1 -10.5 -58.9 65 65 A P - 0 0 77 0, 0.0 2,-0.5 0, 0.0 -56,-0.1 -0.391 20.3-151.1 -76.7 136.6 6.7 -8.5 -55.7 66 66 A I - 0 0 0 -2,-0.1 2,-0.5 276,-0.1 -60,-0.0 -0.937 14.5-175.4-106.8 127.0 3.9 -8.9 -53.1 67 67 A E - 0 0 124 -2,-0.5 2,-0.2 324,-0.0 324,-0.0 -0.990 28.4-132.7-116.0 112.4 3.1 -6.1 -50.7 68 68 A L - 0 0 15 -2,-0.5 2,-0.2 270,-0.1 3,-0.1 -0.481 23.9-155.1 -68.3 125.0 0.5 -7.5 -48.2 69 69 A Q - 0 0 85 -2,-0.2 -1,-0.1 -60,-0.2 320,-0.0 -0.525 30.4 -77.7 -93.2 165.4 -2.4 -5.1 -47.8 70 70 A A - 0 0 45 -2,-0.2 -1,-0.2 321,-0.1 -53,-0.1 -0.392 38.3-132.3 -53.9 143.6 -4.8 -4.7 -44.9 71 71 A V B -A 389 0A 5 318,-2.6 318,-2.3 -55,-0.1 -1,-0.1 -0.884 34.5-127.2 -98.4 109.7 -7.5 -7.4 -44.8 72 72 A P - 0 0 63 0, 0.0 -52,-0.1 0, 0.0 3,-0.0 -0.179 19.2-100.5 -64.9 150.4 -10.6 -5.3 -44.2 73 73 A A - 0 0 37 1,-0.1 315,-0.1 315,-0.0 314,-0.1 -0.480 43.2-112.2 -59.4 129.9 -13.1 -5.9 -41.5 74 74 A P - 0 0 16 0, 0.0 312,-0.1 0, 0.0 -1,-0.1 -0.476 33.9-176.2 -66.0 141.3 -16.1 -7.8 -42.8 75 75 A V > + 0 0 114 -2,-0.1 3,-1.3 2,-0.1 4,-0.3 0.603 62.5 77.6-114.7 -17.0 -19.2 -5.5 -42.7 76 76 A S G >> S+ 0 0 42 1,-0.3 3,-1.9 2,-0.2 4,-1.0 0.830 79.9 71.9 -67.6 -29.3 -22.1 -7.7 -43.9 77 77 A X G 34 S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.717 85.0 70.7 -56.8 -21.6 -22.5 -9.5 -40.5 78 78 A A G <4 S+ 0 0 80 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.846 110.5 30.8 -60.1 -33.3 -23.9 -6.1 -39.2 79 79 A E T <4 S+ 0 0 154 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.539 86.8 115.8-109.1 -12.0 -27.0 -6.7 -41.3 80 80 A W < + 0 0 16 -4,-1.0 4,-0.0 1,-0.2 -3,-0.0 -0.424 24.0 161.3 -66.2 130.3 -27.5 -10.5 -41.5 81 81 A S + 0 0 97 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.409 62.5 23.1-127.2 -3.1 -30.7 -11.6 -39.7 82 82 A S S > S- 0 0 27 1,-0.1 4,-1.5 0, 0.0 3,-0.4 -0.976 81.6-102.2-154.0 165.2 -31.2 -15.1 -41.2 83 83 A P H > S+ 0 0 8 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.874 119.5 59.9 -55.9 -38.5 -29.2 -18.0 -42.9 84 84 A E H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.908 103.3 50.2 -56.1 -39.3 -30.6 -16.8 -46.3 85 85 A D H > S+ 0 0 57 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.882 111.6 48.3 -64.1 -43.0 -28.9 -13.4 -45.8 86 86 A V H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.962 112.3 47.3 -65.0 -51.2 -25.6 -15.0 -45.0 87 87 A W H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.875 109.7 54.4 -59.4 -35.7 -25.6 -17.4 -48.0 88 88 A Q H X S+ 0 0 72 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.939 108.5 48.6 -64.8 -39.5 -26.6 -14.6 -50.3 89 89 A S H X S+ 0 0 20 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.889 110.0 51.6 -64.5 -36.2 -23.6 -12.6 -49.1 90 90 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.897 108.4 52.0 -70.4 -38.3 -21.3 -15.7 -49.6 91 91 A L H X S+ 0 0 22 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.969 111.6 46.7 -58.8 -47.5 -22.7 -16.1 -53.2 92 92 A E H X S+ 0 0 95 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.865 110.0 53.5 -58.7 -42.0 -21.9 -12.4 -53.9 93 93 A L H X S+ 0 0 18 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.908 110.0 47.4 -57.8 -50.4 -18.4 -12.9 -52.3 94 94 A E H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.890 109.1 53.9 -60.9 -38.1 -17.7 -15.8 -54.7 95 95 A Q H X S+ 0 0 69 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.896 110.0 49.0 -64.0 -39.0 -18.9 -13.8 -57.6 96 96 A A H X S+ 0 0 19 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.844 107.4 52.4 -61.1 -43.2 -16.4 -11.1 -56.6 97 97 A N H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.886 111.0 48.6 -59.6 -42.6 -13.6 -13.6 -56.3 98 98 A T H X S+ 0 0 22 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.915 111.0 50.4 -67.3 -44.5 -14.4 -14.8 -59.9 99 99 A R H X S+ 0 0 148 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.902 109.1 50.9 -60.6 -38.6 -14.5 -11.2 -61.2 100 100 A S H X S+ 0 0 23 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.898 111.9 47.9 -64.3 -41.1 -11.2 -10.5 -59.6 101 101 A L H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.862 110.9 49.7 -67.7 -42.9 -9.7 -13.6 -61.3 102 102 A L H X S+ 0 0 53 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.907 110.0 52.7 -67.7 -32.5 -11.2 -12.7 -64.7 103 103 A N H X S+ 0 0 85 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.913 110.7 46.4 -64.1 -43.8 -9.7 -9.2 -64.3 104 104 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.922 112.1 50.3 -62.3 -47.0 -6.3 -10.6 -63.6 105 105 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.856 108.1 53.8 -60.2 -38.8 -6.6 -13.0 -66.6 106 106 A E H X S+ 0 0 66 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.924 110.4 46.9 -61.5 -40.5 -7.6 -10.1 -68.9 107 107 A A H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.889 113.8 48.2 -66.6 -40.7 -4.4 -8.2 -67.8 108 108 A A H <>S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 -1,-0.2 0.907 110.4 50.9 -67.0 -41.6 -2.3 -11.3 -68.4 109 109 A S H ><5S+ 0 0 45 -4,-2.7 3,-1.6 3,-0.2 -2,-0.2 0.930 109.6 50.4 -60.9 -47.0 -3.9 -12.0 -71.8 110 110 A T H 3<5S+ 0 0 102 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.864 113.9 45.2 -55.9 -36.7 -3.1 -8.3 -72.9 111 111 A C T 3<5S- 0 0 51 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.348 110.5-125.1 -86.0 1.0 0.5 -8.7 -71.7 112 112 A H T < 5 + 0 0 83 -3,-1.6 2,-1.5 1,-0.2 -3,-0.2 0.889 49.5 166.0 47.0 43.7 0.7 -12.2 -73.4 113 113 A D >< + 0 0 22 -5,-2.9 4,-2.5 1,-0.2 -1,-0.2 -0.656 9.7 176.2 -91.3 84.7 1.7 -13.6 -70.1 114 114 A F H > S+ 0 0 12 -2,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.833 74.7 54.1 -61.4 -37.0 1.2 -17.2 -70.9 115 115 A A H > S+ 0 0 6 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.919 108.9 47.1 -67.6 -44.7 2.6 -18.5 -67.6 116 116 A V H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.943 113.0 50.2 -61.4 -42.1 0.2 -16.3 -65.5 117 117 A M H X S+ 0 0 31 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.894 111.1 48.6 -64.3 -38.6 -2.8 -17.4 -67.7 118 118 A A H < S+ 0 0 5 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.922 109.5 52.6 -65.4 -38.2 -1.8 -21.1 -67.3 119 119 A F H < S+ 0 0 31 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.865 108.4 51.8 -60.6 -37.9 -1.5 -20.7 -63.6 120 120 A L H >X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-1.0 0.745 86.1 87.5 -72.2 -24.5 -5.0 -19.1 -63.4 121 121 A N H 3X S+ 0 0 27 -4,-1.1 4,-2.0 -3,-0.4 5,-0.2 0.879 87.6 46.4 -51.1 -45.5 -6.8 -21.9 -65.3 122 122 A P H 3> S+ 0 0 83 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.848 111.9 53.7 -69.5 -24.7 -7.5 -24.3 -62.4 123 123 A F H <> S+ 0 0 32 -3,-1.0 4,-2.4 -4,-0.4 -2,-0.2 0.872 104.8 54.2 -72.8 -35.5 -8.8 -21.3 -60.4 124 124 A H H X S+ 0 0 7 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.943 113.6 42.0 -58.4 -43.7 -11.2 -20.4 -63.2 125 125 A L H X S+ 0 0 49 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.890 110.5 55.9 -73.7 -34.0 -12.6 -23.9 -63.1 126 126 A Q H X S+ 0 0 67 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.923 105.9 52.8 -64.4 -38.9 -12.7 -24.0 -59.3 127 127 A Q H X S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.845 104.5 54.6 -67.5 -35.9 -14.8 -20.8 -59.3 128 128 A V H X S+ 0 0 13 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E H X S+ 0 0 68 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.917 109.2 47.0 -64.3 -44.0 -12.7 -19.4 -80.9 903 107 F A H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.897 113.3 49.1 -62.7 -43.5 -16.1 -18.1 -79.6 904 108 F A H <>S+ 0 0 0 -4,-2.7 5,-3.0 -5,-0.2 -2,-0.2 0.907 110.3 51.3 -62.2 -36.3 -14.8 -18.4 -76.0 905 109 F S H ><5S+ 0 0 42 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.934 108.9 50.1 -66.1 -43.5 -11.6 -16.6 -76.9 906 110 F T H 3<5S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.887 113.0 47.2 -62.1 -40.4 -13.6 -13.7 -78.5 907 111 F C T 3<5S- 0 0 51 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.330 109.2-125.1 -76.6 -1.0 -15.8 -13.5 -75.4 908 112 F H T < 5 + 0 0 88 -3,-1.9 2,-1.6 1,-0.2 -3,-0.2 0.869 51.8 163.2 51.4 40.3 -12.6 -13.6 -73.1 909 113 F D >< + 0 0 19 -5,-3.0 4,-2.6 1,-0.2 -1,-0.2 -0.627 10.7 174.0 -92.7 84.9 -14.4 -16.6 -71.5 910 114 F F H > S+ 0 0 12 -2,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.850 72.5 56.7 -64.0 -32.6 -11.3 -17.9 -69.7 911 115 F A H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.942 108.8 45.9 -66.6 -39.9 -13.2 -20.6 -67.8 912 116 F V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.939 112.1 52.8 -68.2 -40.7 -14.6 -22.1 -71.0 913 117 F M H X S+ 0 0 34 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.939 111.2 46.6 -56.4 -43.1 -11.1 -22.0 -72.6 914 118 F A H < S+ 0 0 7 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.878 109.4 53.3 -64.0 -41.6 -9.7 -23.8 -69.6 915 119 F F H < S+ 0 0 35 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.878 108.6 51.2 -61.1 -35.2 -12.4 -26.4 -69.7 916 120 F L H >X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-0.7 0.728 86.4 87.0 -77.0 -20.0 -11.7 -27.1 -73.4 917 121 F N H 3X S+ 0 0 27 -4,-1.1 4,-2.1 -3,-0.4 5,-0.2 0.887 87.6 47.1 -53.2 -44.7 -7.9 -27.7 -73.1 918 122 F P H 3> S+ 0 0 86 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.842 111.6 53.7 -67.7 -26.3 -7.9 -31.4 -72.2 919 123 F F H <> S+ 0 0 26 -3,-0.7 4,-2.4 -4,-0.4 -2,-0.2 0.898 105.7 52.4 -72.6 -37.5 -10.4 -32.0 -75.0 920 124 F H H X S+ 0 0 3 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.935 114.5 42.8 -59.9 -39.8 -8.1 -30.2 -77.6 921 125 F L H X S+ 0 0 50 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.885 110.7 55.3 -78.5 -34.9 -5.3 -32.4 -76.5 922 126 F Q H X S+ 0 0 58 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.906 107.6 52.4 -54.1 -45.6 -7.6 -35.6 -76.4 923 127 F Q H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.885 103.0 55.5 -64.7 -36.4 -8.4 -34.9 -80.0 924 128 F V H X S+ 0 0 12 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.940 112.9 43.2 -60.9 -45.9 -4.8 -34.7 -81.1 925 129 F N H X S+ 0 0 71 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.892 114.4 50.5 -67.0 -36.7 -4.3 -38.2 -79.6 926 130 F E H X S+ 0 0 17 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.925 110.4 47.1 -70.5 -44.4 -7.6 -39.5 -81.1 927 131 F E H X S+ 0 0 49 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.894 114.2 50.1 -64.3 -34.6 -6.9 -38.3 -84.7 928 132 F D H X S+ 0 0 61 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.952 112.0 46.3 -66.4 -44.7 -3.4 -39.7 -84.4 929 133 F K H X S+ 0 0 109 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.926 116.4 44.1 -65.9 -45.2 -4.6 -43.1 -83.2 930 134 F I H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.939 111.6 53.6 -70.5 -40.4 -7.4 -43.4 -85.9 931 135 F G H X S+ 0 0 28 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.892 111.1 47.3 -53.9 -45.1 -5.1 -42.1 -88.6 932 136 F S H X S+ 0 0 45 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.908 111.1 48.8 -68.0 -42.4 -2.6 -44.9 -87.7 933 137 F I H X S+ 0 0 16 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.919 110.5 52.9 -62.1 -46.5 -5.2 -47.7 -87.6 934 138 F L H X S+ 0 0 19 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.907 109.7 49.1 -55.5 -41.7 -6.5 -46.5 -91.0 935 139 F A H X S+ 0 0 58 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.912 112.4 46.9 -64.9 -47.0 -3.0 -46.8 -92.4 936 140 F K H X S+ 0 0 116 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.895 113.7 47.9 -58.4 -46.1 -2.5 -50.2 -91.0 937 141 F V H X S+ 0 0 5 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.929 111.6 50.1 -64.8 -42.5 -5.9 -51.4 -92.3 938 142 F T H < S+ 0 0 60 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.948 114.8 44.1 -66.6 -38.7 -5.2 -50.0 -95.8 939 143 F D H >< S+ 0 0 97 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.923 113.6 48.6 -70.5 -46.3 -1.9 -51.6 -96.0 940 144 F E H >< S+ 0 0 44 -4,-2.7 3,-1.7 1,-0.3 7,-0.4 0.832 102.5 64.3 -62.6 -33.6 -3.0 -55.1 -94.6 941 145 F N T 3< S+ 0 0 56 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.502 77.9 83.8 -77.0 4.1 -5.9 -55.2 -97.0 942 146 F R T < S+ 0 0 200 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.600 90.5 55.8 -72.1 -15.5 -3.6 -55.3 -100.0 943 147 F T S X> S- 0 0 81 -3,-1.7 3,-2.0 -4,-0.1 4,-0.6 -0.981 100.9-107.8-121.2 127.0 -3.4 -59.1 -99.5 944 148 F P T 34 S+ 0 0 126 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.202 99.0 3.1 -54.9 127.3 -6.6 -61.2 -99.4 945 149 F G T 3> S+ 0 0 53 -4,-0.1 4,-1.4 1,-0.1 3,-0.4 0.227 99.6 105.4 93.1 -27.7 -7.5 -62.4 -95.9 946 150 F L H <> S+ 0 0 69 -3,-2.0 4,-0.8 -6,-0.3 -5,-0.2 0.881 73.3 57.5 -65.0 -38.1 -4.6 -60.6 -94.2 947 151 F L H >X S+ 0 0 4 -4,-0.6 4,-1.0 -7,-0.4 3,-0.8 0.873 104.9 54.8 -59.2 -33.9 -6.7 -57.8 -92.6 948 152 F R H >> S+ 0 0 105 -3,-0.4 4,-1.8 1,-0.3 3,-0.8 0.926 97.3 62.4 -65.8 -37.9 -8.8 -60.6 -90.8 949 153 F S H 3X S+ 0 0 57 -4,-1.4 4,-1.0 1,-0.3 -1,-0.3 0.796 107.1 45.7 -69.4 -15.3 -5.8 -62.1 -89.4 950 154 F L H