==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/ELECTRON TRANSPORT15-MAR-12 4E6K . COMPND 2 MOLECULE: BACTERIOFERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.LOVELL,K.P.BATTAILE,H.YAO,Y.WANG,R.KUMAR,A.RUVINSKY,I.VASK . 1086 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 892 82.1 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 . 12 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 47 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 740 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.7 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 1 0 6 0 3 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 6 5 1 12 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 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 ANTIPARALLEL 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 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 M 0 0 137 0, 0.0 65,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 115.7 -39.6 -29.5 79.1 2 2 A K + 0 0 116 62,-0.2 2,-0.2 2,-0.1 64,-0.1 0.703 360.0 89.9 -77.0 -21.3 -40.5 -33.2 78.5 3 3 A G S S- 0 0 10 62,-1.6 2,-0.3 59,-0.1 3,-0.0 -0.493 81.4-112.8 -83.9 146.0 -39.1 -34.6 81.8 4 4 A D > - 0 0 59 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.591 26.3-135.4 -68.6 131.6 -41.0 -35.0 85.1 5 5 A K H > S+ 0 0 72 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.881 103.9 47.5 -62.4 -39.9 -39.4 -32.5 87.6 6 6 A K H > S+ 0 0 42 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.880 108.5 55.6 -71.3 -35.8 -39.2 -35.0 90.4 7 7 A V H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.964 108.6 48.5 -57.1 -47.6 -37.7 -37.7 88.1 8 8 A I H X S+ 0 0 15 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.887 110.0 51.5 -61.0 -37.2 -35.0 -35.2 87.3 9 9 A Q H X S+ 0 0 124 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.938 111.2 47.8 -64.7 -44.5 -34.5 -34.5 91.0 10 10 A H H X S+ 0 0 39 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.928 110.9 50.4 -59.7 -46.5 -34.1 -38.2 91.6 11 11 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.917 111.3 48.9 -60.8 -41.9 -31.7 -38.7 88.7 12 12 A N H X S+ 0 0 33 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.819 108.7 53.6 -64.8 -30.8 -29.6 -35.8 90.1 13 13 A K H X S+ 0 0 91 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.949 111.0 44.9 -69.1 -45.9 -29.7 -37.4 93.5 14 14 A I H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.906 112.2 53.7 -60.9 -42.8 -28.4 -40.7 92.0 15 15 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.942 105.6 53.0 -55.6 -46.8 -25.8 -38.7 90.1 16 16 A G H X S+ 0 0 18 -4,-2.4 4,-1.7 1,-0.2 59,-0.3 0.892 109.2 49.1 -58.6 -40.0 -24.6 -37.0 93.3 17 17 A N H X S+ 0 0 17 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.920 110.6 50.3 -64.2 -42.7 -24.2 -40.4 94.9 18 18 A E H X S+ 0 0 2 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.912 107.9 53.9 -62.0 -39.8 -22.2 -41.7 91.9 19 19 A L H X S+ 0 0 14 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.883 108.4 48.6 -65.6 -37.1 -20.0 -38.6 92.0 20 20 A I H X S+ 0 0 18 -4,-1.7 4,-2.6 -5,-0.2 5,-0.2 0.953 112.4 49.3 -62.6 -48.2 -19.2 -39.3 95.7 21 21 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.4 0.896 104.5 58.7 -62.1 -40.4 -18.3 -42.9 94.9 22 22 A I H X S+ 0 0 21 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.961 113.6 37.7 -50.2 -53.4 -16.1 -42.0 91.9 23 23 A N H X S+ 0 0 27 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.907 116.6 50.5 -72.4 -39.4 -13.8 -40.0 94.2 24 24 A Q H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.944 115.2 42.7 -63.8 -46.6 -14.0 -42.2 97.2 25 25 A Y H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 -1,-0.2 0.914 112.9 53.3 -68.6 -38.4 -13.1 -45.3 95.2 26 26 A F H X S+ 0 0 23 -4,-2.3 4,-2.2 -5,-0.4 -2,-0.2 0.946 112.5 43.8 -63.2 -44.7 -10.4 -43.5 93.2 27 27 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.932 113.5 50.5 -66.1 -43.5 -8.7 -42.3 96.4 28 28 A H H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.923 109.8 52.9 -58.6 -42.1 -9.1 -45.8 98.1 29 29 A S H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.949 111.1 44.3 -56.3 -51.3 -7.5 -47.3 94.9 30 30 A R H X S+ 0 0 25 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.816 110.8 54.7 -69.7 -28.4 -4.5 -45.1 95.0 31 31 A M H X S+ 0 0 7 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.927 108.6 48.7 -66.3 -45.9 -4.1 -45.5 98.7 32 32 A W H X>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 4,-0.5 0.913 111.4 50.0 -60.7 -41.7 -4.0 -49.3 98.3 33 33 A N H ><5S+ 0 0 29 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.918 107.5 53.9 -62.0 -42.3 -1.4 -48.9 95.5 34 34 A D H 3<5S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.898 109.9 48.3 -57.8 -39.1 0.7 -46.7 97.7 35 35 A W H 3<5S- 0 0 117 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.516 120.0-109.6 -81.1 -4.9 0.7 -49.4 100.3 36 36 A G T <<5S+ 0 0 29 -3,-1.3 2,-1.1 -4,-0.5 -3,-0.2 0.664 80.3 129.3 85.1 15.5 1.6 -52.1 97.8 37 37 A L >< + 0 0 18 -5,-2.8 4,-2.6 1,-0.2 3,-0.3 -0.579 27.4 164.2 -98.3 70.6 -1.8 -53.9 97.9 38 38 A K H > + 0 0 86 116,-1.4 4,-2.5 -2,-1.1 116,-0.2 0.755 64.6 57.2 -68.2 -28.2 -2.0 -53.8 94.1 39 39 A R H > S+ 0 0 101 114,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.920 112.1 42.7 -70.1 -40.6 -4.8 -56.3 93.6 40 40 A L H > S+ 0 0 0 113,-1.0 4,-2.7 -3,-0.3 5,-0.3 0.918 113.6 53.4 -66.0 -43.2 -7.1 -54.2 95.9 41 41 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 112,-0.3 -2,-0.2 0.925 111.3 45.4 -57.0 -44.6 -5.9 -51.0 94.1 42 42 A A H X S+ 0 0 18 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.926 113.2 48.8 -68.3 -44.1 -6.7 -52.5 90.7 43 43 A H H X S+ 0 0 62 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.943 113.4 47.2 -60.5 -42.9 -10.1 -53.8 91.7 44 44 A E H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.861 106.4 57.7 -70.8 -35.3 -11.0 -50.4 93.3 45 45 A Y H X S+ 0 0 78 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.946 107.4 49.0 -55.4 -46.9 -9.8 -48.5 90.3 46 46 A H H X S+ 0 0 111 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.853 107.1 54.4 -66.2 -34.3 -12.3 -50.5 88.2 47 47 A E H X S+ 0 0 22 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.902 109.0 49.7 -60.3 -42.4 -15.1 -49.8 90.6 48 48 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.949 110.4 49.2 -61.4 -50.3 -14.3 -46.1 90.2 49 49 A I H X S+ 0 0 40 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.883 108.2 54.0 -55.0 -42.2 -14.4 -46.4 86.5 50 50 A D H X S+ 0 0 68 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.884 107.5 50.3 -63.9 -37.4 -17.7 -48.2 86.6 51 51 A E H X S+ 0 0 3 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.861 106.8 56.1 -65.9 -36.4 -19.2 -45.4 88.7 52 52 A M H X S+ 0 0 44 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.901 106.4 49.7 -59.4 -43.4 -17.9 -42.9 86.1 53 53 A K H X S+ 0 0 130 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.894 110.1 49.9 -65.8 -39.2 -19.8 -44.8 83.4 54 54 A H H X S+ 0 0 23 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.930 109.8 51.9 -61.2 -45.5 -23.1 -44.7 85.4 55 55 A A H X S+ 0 0 5 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.918 107.5 53.0 -58.2 -43.3 -22.6 -41.0 86.0 56 56 A D H X S+ 0 0 29 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.949 109.0 47.7 -56.1 -51.1 -22.2 -40.5 82.2 57 57 A K H X S+ 0 0 69 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.873 112.6 50.4 -61.5 -36.0 -25.5 -42.4 81.5 58 58 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.940 109.5 49.3 -64.9 -47.9 -27.2 -40.3 84.1 59 59 A I H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.900 112.1 50.1 -58.6 -40.5 -26.0 -37.0 82.7 60 60 A E H X S+ 0 0 86 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.910 111.3 47.2 -66.7 -42.7 -27.1 -38.1 79.3 61 61 A R H X S+ 0 0 40 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.909 110.2 52.3 -66.3 -38.9 -30.6 -39.0 80.5 62 62 A I H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 4,-0.3 0.945 110.4 49.2 -64.9 -45.1 -31.0 -35.8 82.4 63 63 A L H ><5S+ 0 0 16 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.891 108.7 52.1 -59.3 -41.9 -30.1 -33.8 79.3 64 64 A F H 3<5S+ 0 0 97 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.895 109.0 49.9 -60.7 -41.3 -32.5 -35.7 77.2 65 65 A L T 3<5S- 0 0 7 -4,-2.1 -62,-1.6 -5,-0.1 -1,-0.3 0.473 119.9-115.4 -77.0 -2.6 -35.3 -35.0 79.7 66 66 A E T < 5S+ 0 0 98 -3,-1.2 -3,-0.2 -4,-0.3 2,-0.1 0.647 71.9 129.8 75.5 22.3 -34.2 -31.3 79.5 67 67 A G < - 0 0 8 -5,-2.4 -1,-0.2 -6,-0.2 -65,-0.0 -0.394 64.3-101.8 -91.9 177.9 -33.1 -31.0 83.1 68 68 A L - 0 0 144 -2,-0.1 2,-0.1 -3,-0.1 -5,-0.0 -0.897 29.8-134.8-104.9 111.3 -29.8 -29.6 84.3 69 69 A P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.442 18.2-139.0 -66.6 135.2 -27.3 -32.3 85.4 70 70 A N + 0 0 55 -2,-0.1 -11,-0.0 1,-0.1 -2,-0.0 -0.824 42.2 150.2-100.4 101.0 -25.7 -31.3 88.7 71 71 A L + 0 0 7 -2,-0.8 -1,-0.1 1,-0.1 110,-0.1 0.284 62.5 76.6-102.8 6.2 -22.0 -31.9 88.8 72 72 A Q S S+ 0 0 59 -3,-0.1 2,-0.6 109,-0.1 160,-0.1 0.831 76.5 74.8 -88.5 -34.6 -21.3 -29.1 91.3 73 73 A D + 0 0 102 1,-0.0 2,-0.5 0, 0.0 -54,-0.1 -0.707 56.8 179.2 -89.8 120.1 -22.5 -30.6 94.5 74 74 A L - 0 0 13 -2,-0.6 158,-0.2 158,-0.1 3,-0.1 -0.961 14.0-154.4-121.4 109.7 -20.1 -33.2 95.9 75 75 A G - 0 0 34 -2,-0.5 2,-0.2 -59,-0.3 911,-0.1 0.028 40.8 -53.5 -71.7-172.9 -21.2 -34.7 99.2 76 76 A K - 0 0 84 910,-0.1 2,-0.2 1,-0.1 -1,-0.2 -0.447 47.1-141.1 -75.4 129.5 -19.0 -36.2 101.9 77 77 A L - 0 0 11 -2,-0.2 2,-0.7 -3,-0.1 874,-0.1 -0.604 9.0-140.1 -76.9 143.8 -16.5 -38.9 101.0 78 78 A L - 0 0 43 -2,-0.2 2,-0.6 -58,-0.1 15,-0.1 -0.872 27.2-178.2-105.3 94.9 -16.1 -41.8 103.5 79 79 A I - 0 0 2 -2,-0.7 869,-2.5 869,-0.5 7,-0.1 -0.854 11.4-150.7-101.6 117.7 -12.3 -42.4 103.5 80 80 A G - 0 0 0 -2,-0.6 3,-0.1 867,-0.2 6,-0.0 -0.318 13.0-140.4 -79.7 168.6 -11.0 -45.2 105.7 81 81 A E S S+ 0 0 64 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.514 82.9 21.3-107.4 -12.4 -7.6 -45.5 107.4 82 82 A N S > S- 0 0 82 1,-0.1 4,-2.6 0, 0.0 5,-0.2 -0.936 91.3 -92.2-149.6 170.6 -6.9 -49.2 106.8 83 83 A T H > S+ 0 0 9 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.891 121.7 48.2 -59.2 -45.7 -8.2 -51.9 104.5 84 84 A Q H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.931 114.6 46.0 -62.8 -42.3 -11.0 -53.2 106.7 85 85 A E H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.895 111.0 53.2 -68.2 -34.4 -12.3 -49.7 107.3 86 86 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.917 108.9 48.3 -68.5 -42.2 -12.0 -48.7 103.7 87 87 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.909 112.8 48.5 -62.0 -43.4 -14.1 -51.7 102.6 88 88 A Q H X S+ 0 0 77 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.856 108.9 53.8 -65.6 -38.3 -16.7 -50.9 105.2 89 89 A C H X S+ 0 0 5 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.892 108.8 48.4 -60.5 -43.7 -16.8 -47.3 104.1 90 90 A D H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.908 112.2 50.1 -61.1 -42.5 -17.5 -48.4 100.5 91 91 A L H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.920 108.8 51.1 -65.7 -42.6 -20.2 -50.7 101.8 92 92 A N H X S+ 0 0 76 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.930 111.4 48.6 -57.9 -44.3 -21.8 -47.9 103.9 93 93 A L H X S+ 0 0 18 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.936 110.6 50.8 -60.8 -45.9 -21.8 -45.7 100.8 94 94 A E H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.810 105.2 55.2 -66.6 -32.3 -23.4 -48.5 98.6 95 95 A L H X S+ 0 0 86 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.904 110.6 46.1 -67.7 -40.5 -26.2 -49.2 101.1 96 96 A K H X S+ 0 0 90 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.920 111.6 53.5 -62.4 -41.1 -27.2 -45.6 100.9 97 97 A A H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.917 108.8 47.4 -63.4 -42.4 -26.9 -45.6 97.1 98 98 A T H X S+ 0 0 9 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.871 108.0 55.2 -71.9 -33.0 -29.2 -48.6 96.7 99 99 A K H X S+ 0 0 96 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.932 110.5 46.4 -61.4 -44.2 -31.9 -47.1 99.0 100 100 A D H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.886 109.8 54.1 -66.4 -35.8 -31.9 -44.0 96.9 101 101 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.920 107.0 50.6 -65.3 -42.9 -32.1 -46.0 93.7 102 102 A R H X S+ 0 0 118 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.918 111.4 48.7 -60.4 -42.1 -35.2 -48.0 94.9 103 103 A E H X S+ 0 0 90 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.871 110.5 51.0 -66.3 -35.8 -36.9 -44.7 95.8 104 104 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.933 109.0 51.2 -66.8 -42.6 -36.1 -43.2 92.3 105 105 A I H X S+ 0 0 21 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.922 105.6 55.6 -61.5 -45.3 -37.5 -46.3 90.6 106 106 A V H X S+ 0 0 94 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.929 110.2 45.7 -49.9 -48.5 -40.7 -46.1 92.5 107 107 A H H X S+ 0 0 25 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.921 109.6 53.8 -69.5 -41.3 -41.2 -42.6 91.3 108 108 A C H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-0.4 0.919 109.5 48.8 -52.9 -46.4 -40.4 -43.4 87.7 109 109 A E H ><5S+ 0 0 75 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.937 108.0 55.1 -60.2 -42.7 -42.9 -46.1 87.7 110 110 A Q H 3<5S+ 0 0 132 -4,-2.0 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-4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.911 108.1 53.0 -59.6 -40.1 -5.4 -22.6 75.8 290 132 B D H X S+ 0 0 51 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.961 110.2 47.3 -60.2 -48.9 -4.1 -22.6 72.2 291 133 B Y H X S+ 0 0 38 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.934 113.3 48.3 -54.7 -48.9 -7.0 -24.8 71.1 292 134 B L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.919 111.9 47.4 -63.2 -45.2 -9.5 -22.5 72.9 293 135 B E H X S+ 0 0 62 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.868 111.6 53.3 -63.9 -35.1 -8.1 -19.3 71.5 294 136 B T H X S+ 0 0 13 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.945 108.2 48.2 -64.3 -47.2 -8.1 -20.9 68.0 295 137 B Q H X S+ 0 0 15 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.913 112.2 49.2 -61.7 -42.3 -11.8 -21.9 68.2 296 138 B L H X S+ 0 0 26 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.909 111.8 49.6 -66.4 -39.0 -12.8 -18.4 69.4 297 139 B G H X S+ 0 0 19 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.903 108.7 52.9 -61.9 -40.3 -10.8 -16.9 66.5 298 140 B L H X>S+ 0 0 3 -4,-2.6 4,-3.0 1,-0.2 5,-0.6 0.886 101.1 59.7 -66.2 -37.4 -12.5 -19.3 64.0 299 141 B I H X5S+ 0 0 5 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.934 110.6 43.3 -55.1 -42.0 -15.9 -18.2 65.2 300 142 B Q H <5S+ 0 0 135 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.893 117.2 45.6 -70.1 -37.7 -14.9 -14.7 64.1 301 143 B K H <5S+ 0 0 69 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.892 127.3 23.2 -77.0 -41.1 -13.3 -15.8 60.8 302 144 B V H <5S- 0 0 0 -4,-3.0 4,-0.4 -5,-0.1 -1,-0.2 0.541 112.8-110.6-103.7 -7.8 -15.9 -18.2 59.4 303 145 B G X< - 0 0 13 -4,-1.2 4,-2.5 -5,-0.6 5,-0.2 0.159 28.8 -89.1 86.1 151.0 -18.9 -16.9 61.3 304 146 B L H > S+ 0 0 79 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.895 122.8 53.1 -65.5 -44.1 -20.8 -18.7 64.1 305 147 B E H > S+ 0 0 172 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 114.0 42.5 -61.9 -42.6 -23.2 -20.6 61.9 306 148 B N H > S+ 0 0 20 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.904 112.4 54.8 -65.8 -43.3 -20.4 -22.1 59.8 307 149 B Y H < S+ 0 0 0 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.925 111.8 43.4 -57.2 -43.9 -18.3 -22.8 62.8 308 150 B L H >< S+ 0 0 46 -4,-2.7 3,-2.3 1,-0.2 -2,-0.2 0.939 110.7 55.0 -68.7 -45.9 -21.2 -24.7 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53.8 -65.5 -35.2 -9.2 -40.4 116.7 959 13 G Q H > S+ 0 0 89 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.847 106.8 52.4 -68.9 -30.5 -7.3 -37.2 116.3 960 14 G I H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.943 111.2 46.8 -66.9 -47.0 -10.4 -35.3 117.3 961 15 G R H X S+ 0 0 65 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.941 110.4 53.5 -56.2 -47.1 -10.7 -37.4 120.5 962 16 G D H X S+ 0 0 73 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.901 105.6 52.7 -55.7 -43.2 -7.0 -36.9 121.2 963 17 G A H <>S+ 0 0 6 -4,-1.9 5,-2.5 2,-0.2 -1,-0.2 0.881 111.5 47.2 -64.1 -35.5 -7.3 -33.1 121.0 964 18 G I H ><5S+ 0 0 8 -4,-1.6 3,-2.5 3,-0.2 -2,-0.2 0.968 111.0 49.6 -67.4 -53.4 -10.1 -33.3 123.5 965 19 G Y H 3<5S+ 0 0 134 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.827 108.3 56.7 -53.7 -31.9 -8.2 -35.6 125.9 966 20 G E T 3<5S- 0 0 162 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.443 137.0 -77.4 -84.8 0.2 -5.2 -33.2 125.5 967 21 G G T < 5S+ 0 0 50 -3,-2.5 2,-0.2 1,-0.3 -3,-0.2 0.393 80.7 139.2 125.7 -3.2 -7.3 -30.2 126.7 968 22 G C < - 0 0 19 -5,-2.5 -1,-0.3 -6,-0.1 3,-0.1 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1013 0B 2 5,-2.3 5,-1.9 1,-0.1 4,-0.5 -0.969 61.5 179.5-122.5 115.0 32.0 -12.6 51.2 1009 5 H L T 45S+ 0 0 11 -2,-0.5 -1,-0.1 3,-0.2 -625,-0.1 0.855 82.4 60.9 -80.7 -37.6 29.6 -15.3 49.9 1010 6 H C T 45S+ 0 0 21 1,-0.2 -1,-0.2 2,-0.1 -626,-0.1 0.855 122.8 22.0 -53.8 -40.3 27.9 -13.0 47.4 1011 7 H Q T 45S- 0 0 95 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.389 105.7-119.9-111.6 -0.8 31.2 -12.4 45.6 1012 8 H G T <5 + 0 0 18 -4,-0.5 2,-0.6 1,-0.2 -3,-0.2 0.893 52.4 161.6 62.3 45.1 33.2 -15.5 46.7 1013 9 H V E < -B 1008 0B 24 -5,-1.9 -6,-2.9 4,-0.0 -5,-2.3 -0.865 22.4-157.9-103.2 120.4 36.0 -13.6 48.5 1014 10 H T E > -B 1006 0B 4 -2,-0.6 4,-1.6 -8,-0.3 3,-0.4 -0.488 31.6-110.8 -89.3 162.6 38.1 -15.5 50.9 1015 11 H D H > S+ 0 0 52 -10,-1.9 4,-1.5 1,-0.2 -9,-0.1 0.801 120.7 55.1 -62.8 -27.3 40.1 -14.0 53.8 1016 12 H N H 4 S+ 0 0 117 2,-0.2 -1,-0.2 -11,-0.2 -10,-0.1 0.779 102.4 54.7 -76.0 -29.8 43.3 -15.0 51.8 1017 13 H Q H 4 S+ 0 0 122 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.834 107.7 50.3 -70.6 -33.1 42.1 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4,-2.6 2,-0.1 3,-0.3 0.477 79.3 99.0 -96.5 -7.4 30.0 -9.2 55.3 1029 42 H A H <> S+ 0 0 47 -3,-1.4 4,-3.3 1,-0.3 5,-0.3 0.901 81.3 50.1 -52.6 -53.4 31.2 -5.5 55.3 1030 43 H S H > S+ 0 0 99 -4,-0.4 4,-1.3 1,-0.2 -1,-0.3 0.890 114.3 46.4 -51.3 -43.6 32.1 -5.3 59.0 1031 44 H L H > S+ 0 0 43 -3,-0.3 4,-2.6 -4,-0.2 -1,-0.2 0.895 113.9 46.2 -69.8 -42.3 34.1 -8.6 58.7 1032 45 H A H X S+ 0 0 11 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.903 110.5 53.7 -66.3 -42.0 36.0 -7.6 55.5 1033 46 H K H X S+ 0 0 61 -4,-3.3 4,-2.1 -5,-0.2 -1,-0.2 0.810 111.8 47.5 -60.5 -31.7 36.7 -4.1 57.0 1034 47 H Q H < S+ 0 0 100 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.935 106.9 52.4 -74.5 -51.4 38.2 -6.0 59.9 1035 48 H V H < S+ 0 0 30 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.891 113.9 48.2 -50.8 -38.7 40.3 -8.4 57.9 1036 49 H V H < S+ 0 0 101 -4,-2.2 2,-3.1 1,-0.2 -2,-0.2 0.958 100.5 62.9 -66.1 -52.3 41.6 -5.3 56.2 1037 50 H R < 0 0 81 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.174 360.0 360.0 -69.7 49.8 42.3 -3.4 59.5 1038 51 H E 0 0 174 -2,-3.1 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24,-0.1 -5,-2.4 -0.866 22.8-160.9-106.0 123.5 -20.0 -40.6 -1.0 1049 10 I T E > -C 1041 0C 6 -2,-0.5 4,-1.8 -8,-0.3 3,-0.3 -0.560 32.7-111.7 -94.9 163.1 -16.6 -41.7 -2.2 1050 11 I D H > S+ 0 0 32 -10,-1.9 4,-2.2 1,-0.2 5,-0.2 0.889 120.7 54.7 -62.0 -33.9 -14.3 -40.1 -4.7 1051 12 I N H > S+ 0 0 88 -11,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.865 105.2 53.1 -63.7 -35.8 -14.9 -43.0 -7.0 1052 13 I Q H > S+ 0 0 91 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.866 107.1 50.7 -70.6 -34.9 -18.6 -42.4 -6.8 1053 14 I I H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.934 111.2 48.9 -64.3 -47.7 -18.2 -38.8 -7.8 1054 15 I R H X S+ 0 0 65 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.938 109.4 53.1 -54.5 -48.0 -16.1 -39.9 -10.8 1055 16 I D H X S+ 0 0 77 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.848 106.2 52.1 -57.1 -39.1 -18.8 -42.4 -11.7 1056 17 I A H <>S+ 0 0 7 -4,-1.6 5,-2.3 2,-0.2 4,-0.2 0.884 110.2 48.9 -68.7 -36.8 -21.6 -39.8 -11.6 1057 18 I I H ><5S+ 0 0 9 -4,-1.8 3,-1.4 3,-0.2 -2,-0.2 0.943 111.8 48.6 -66.6 -45.3 -19.6 -37.6 -14.0 1058 19 I Y H 3<5S+ 0 0 143 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.832 108.6 54.9 -61.2 -33.8 -19.0 -40.5 -16.3 1059 20 I E T 3<5S- 0 0 160 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.425 137.4 -71.3 -83.0 0.7 -22.7 -41.4 -16.3 1060 21 I G T < 5S+ 0 0 55 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.076 83.9 133.7 142.1 -34.2 -23.7 -37.9 -17.4 1061 22 I C < - 0 0 20 -5,-2.3 -1,-0.3 1,-0.1 3,-0.1 -0.255 24.9-178.1 -59.8 134.9 -23.2 -35.2 -14.7 1062 23 I C + 0 0 81 1,-0.1 2,-0.3 -4,-0.0 -1,-0.1 0.316 60.3 27.5-116.7 7.2 -21.5 -32.1 -16.1 1063 24 I S S > S- 0 0 39 1,-0.1 4,-2.1 29,-0.0 5,-0.2 -0.986 83.2 -99.6-160.5 163.4 -21.2 -29.9 -13.1 1064 25 I Y H > S+ 0 0 43 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.909 120.5 54.4 -54.8 -44.9 -20.9 -29.9 -9.3 1065 26 I R H > S+ 0 0 152 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.915 107.7 49.5 -61.0 -41.3 -24.6 -29.2 -8.9 1066 27 I E H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.895 111.2 49.1 -65.8 -35.9 -25.5 -32.2 -11.0 1067 28 I V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.4 0.934 110.5 51.8 -67.3 -41.5 -23.2 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