==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN, OXIDOREDUCTASE 26-JUL-06 2HTN . COMPND 2 MOLECULE: BACTERIOFERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.VAN EERDE,S.WOLTERINK-VAN LOO,J.VAN DER OOST,B.W.DIJKSTRA . 1264 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1066 84.3 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 . 56 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 906 71.7 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 0 6 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 8 0 16 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 A M 0 0 120 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.9 -14.9 135.4 -10.3 2 2 A K - 0 0 181 64,-0.1 2,-0.2 1,-0.1 64,-0.2 -0.348 360.0-163.1 -59.1 125.9 -13.9 139.1 -10.4 3 3 A G - 0 0 13 62,-1.6 2,-0.2 59,-0.1 -1,-0.1 -0.621 29.9 -77.5-109.6 169.1 -11.7 139.9 -7.4 4 4 A D > - 0 0 54 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.436 35.4-140.0 -64.6 130.7 -10.6 143.0 -5.7 5 5 A T H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.937 102.7 51.1 -58.1 -49.1 -7.9 144.8 -7.7 6 6 A K H > S+ 0 0 95 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.860 110.7 50.7 -58.0 -37.7 -5.9 145.7 -4.5 7 7 A V H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.964 107.6 50.9 -64.5 -52.8 -6.1 142.1 -3.4 8 8 A I H X S+ 0 0 20 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.836 108.7 54.6 -53.8 -34.9 -4.9 140.7 -6.7 9 9 A N H X S+ 0 0 88 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.913 107.6 47.7 -65.8 -45.2 -2.0 143.2 -6.4 10 10 A Y H X S+ 0 0 32 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.922 109.9 55.0 -60.2 -44.4 -1.0 141.9 -2.9 11 11 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.935 108.7 46.1 -54.4 -50.5 -1.3 138.4 -4.3 12 12 A N H X S+ 0 0 28 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.844 111.4 53.0 -62.0 -35.3 1.2 139.2 -7.1 13 13 A K H X S+ 0 0 97 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.928 112.1 44.7 -64.0 -46.1 3.5 140.8 -4.6 14 14 A L H X S+ 0 0 2 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.887 111.4 53.6 -65.1 -40.0 3.4 137.7 -2.5 15 15 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.914 105.8 53.8 -60.8 -42.7 3.9 135.6 -5.6 16 16 A G H X S+ 0 0 19 -4,-2.4 4,-1.6 1,-0.2 59,-0.4 0.894 105.4 54.1 -58.6 -40.5 6.9 137.7 -6.3 17 17 A N H X S+ 0 0 37 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.933 109.9 47.0 -57.9 -48.3 8.2 136.9 -2.8 18 18 A E H X S+ 0 0 5 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.900 106.2 57.1 -62.5 -43.7 7.9 133.2 -3.5 19 19 A L H X S+ 0 0 12 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.855 109.3 46.9 -56.4 -38.0 9.6 133.4 -6.9 20 20 A V H X S+ 0 0 8 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.921 112.0 49.6 -70.8 -44.1 12.6 134.9 -5.2 21 21 A A H X S+ 0 0 3 -4,-2.0 4,-2.9 2,-0.2 5,-0.4 0.904 106.2 57.3 -60.9 -43.5 12.6 132.3 -2.5 22 22 A I H X S+ 0 0 24 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.961 112.8 39.4 -51.6 -56.8 12.3 129.4 -5.0 23 23 A N H X S+ 0 0 25 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.885 118.9 45.8 -62.6 -45.8 15.5 130.5 -6.8 24 24 A Q H X S+ 0 0 4 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.970 115.8 45.4 -63.5 -54.3 17.5 131.4 -3.6 25 25 A Y H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.890 115.2 48.8 -56.5 -43.0 16.5 128.3 -1.7 26 26 A F H X S+ 0 0 26 -4,-2.3 4,-2.1 -5,-0.4 -1,-0.2 0.896 112.9 45.3 -66.8 -42.9 17.2 126.1 -4.8 27 27 A L H X S+ 0 0 7 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.941 113.1 50.3 -67.2 -46.7 20.6 127.6 -5.5 28 28 A H H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.917 108.7 54.6 -55.2 -44.9 21.6 127.5 -1.9 29 29 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.961 110.7 42.7 -53.7 -58.0 20.6 123.8 -1.8 30 30 A R H X S+ 0 0 16 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.777 111.6 56.1 -62.8 -27.6 22.7 122.8 -4.8 31 31 A M H X S+ 0 0 10 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.907 109.7 45.8 -68.5 -42.5 25.6 124.9 -3.3 32 32 A F H <>S+ 0 0 0 -4,-2.6 5,-3.0 2,-0.2 4,-0.4 0.915 114.0 49.2 -63.5 -43.2 25.3 122.9 -0.1 33 33 A K H ><5S+ 0 0 93 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.922 108.5 52.4 -61.8 -45.2 25.1 119.7 -2.2 34 34 A N H 3<5S+ 0 0 76 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.885 109.5 50.8 -58.7 -38.0 28.2 120.8 -4.2 35 35 A W T 3<5S- 0 0 105 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.498 121.2-108.8 -78.4 -5.7 29.9 121.3 -0.8 36 36 A G T < 5S+ 0 0 31 -3,-1.4 2,-1.2 -4,-0.4 -3,-0.2 0.648 75.5 136.2 85.8 16.7 29.0 117.8 0.4 37 37 A L >< + 0 0 14 -5,-3.0 4,-2.2 1,-0.2 3,-0.4 -0.550 21.2 167.8 -96.9 68.7 26.4 119.0 3.0 38 38 A K H > S+ 0 0 96 -2,-1.2 4,-2.8 116,-0.8 5,-0.3 0.900 71.8 54.5 -47.2 -56.1 23.7 116.5 2.2 39 39 A R H > S+ 0 0 9 114,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.901 112.6 44.9 -47.7 -46.8 21.6 117.2 5.2 40 40 A L H > S+ 0 0 0 113,-0.6 4,-2.4 -3,-0.4 5,-0.3 0.846 110.4 54.2 -68.5 -36.0 21.5 120.8 4.3 41 41 A N H X S+ 0 0 14 -4,-2.2 4,-2.9 112,-0.3 5,-0.2 0.960 107.7 50.0 -62.2 -50.0 20.8 120.1 0.7 42 42 A D H X S+ 0 0 56 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.920 113.6 46.1 -53.8 -48.8 17.8 118.0 1.5 43 43 A V H X S+ 0 0 30 -4,-1.9 4,-2.9 -5,-0.3 5,-0.3 0.981 115.3 43.0 -59.8 -62.6 16.4 120.7 3.8 44 44 A E H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.892 114.0 53.5 -50.4 -45.8 16.9 123.6 1.4 45 45 A Y H X S+ 0 0 95 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.974 110.1 46.5 -53.6 -58.0 15.6 121.5 -1.5 46 46 A H H X S+ 0 0 109 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.913 113.1 48.9 -50.6 -50.3 12.4 120.7 0.4 47 47 A E H X S+ 0 0 6 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.905 108.6 54.9 -59.9 -40.0 11.9 124.3 1.5 48 48 A S H X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.2 0.907 107.5 49.2 -58.8 -43.4 12.5 125.3 -2.2 49 49 A I H X S+ 0 0 43 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.872 106.2 56.7 -64.6 -38.2 9.7 122.9 -3.3 50 50 A D H X S+ 0 0 32 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.913 106.1 50.5 -60.0 -43.5 7.4 124.3 -0.6 51 51 A E H X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.895 107.1 54.3 -59.4 -41.2 7.9 127.8 -2.1 52 52 A M H X S+ 0 0 45 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.893 110.3 46.6 -59.8 -41.3 7.1 126.4 -5.5 53 53 A K H X S+ 0 0 126 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.889 110.3 52.1 -68.6 -41.6 3.8 125.0 -4.2 54 54 A H H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.935 109.5 50.7 -59.2 -45.9 3.0 128.3 -2.4 55 55 A A H X S+ 0 0 4 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.902 107.4 52.8 -58.9 -42.1 3.5 130.0 -5.7 56 56 A D H X S+ 0 0 27 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.918 107.5 51.9 -60.8 -43.8 1.2 127.6 -7.5 57 57 A R H X S+ 0 0 90 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.937 112.2 46.8 -58.2 -45.0 -1.5 128.4 -5.0 58 58 A Y H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.947 111.2 50.0 -61.3 -51.2 -1.0 132.1 -5.7 59 59 A I H X S+ 0 0 4 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.924 112.5 46.8 -55.2 -49.2 -1.0 131.7 -9.4 60 60 A E H X S+ 0 0 59 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.887 112.2 50.6 -63.8 -38.5 -4.2 129.7 -9.4 61 61 A R H X S+ 0 0 29 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.922 111.1 47.4 -65.5 -45.6 -5.9 132.1 -7.0 62 62 A I H <>S+ 0 0 0 -4,-2.6 5,-3.1 2,-0.2 -2,-0.2 0.920 113.6 49.1 -61.1 -44.9 -5.1 135.2 -9.1 63 63 A L H ><5S+ 0 0 16 -4,-2.3 3,-1.6 -5,-0.3 -2,-0.2 0.910 110.4 49.4 -61.7 -45.1 -6.3 133.4 -12.2 64 64 A F H 3<5S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.952 107.8 55.0 -58.9 -46.3 -9.5 132.3 -10.5 65 65 A L T 3<5S- 0 0 2 -4,-2.7 -62,-1.6 -5,-0.2 -1,-0.3 0.336 121.1-114.0 -69.7 8.5 -9.9 136.0 -9.5 66 66 A E T < 5S+ 0 0 139 -3,-1.6 -3,-0.2 -64,-0.2 2,-0.2 0.844 75.7 127.7 58.8 38.1 -9.6 136.8 -13.1 67 67 A G < - 0 0 13 -5,-3.1 -1,-0.2 -6,-0.1 -62,-0.0 -0.431 63.7-101.5-108.0-174.2 -6.3 138.6 -12.5 68 68 A L - 0 0 120 -2,-0.2 -5,-0.0 -3,-0.1 -56,-0.0 -0.911 27.4-136.0-119.6 106.6 -2.9 138.3 -14.2 69 69 A P - 0 0 14 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.287 16.8-140.3 -58.2 140.2 -0.1 136.4 -12.4 70 70 A N + 0 0 57 1,-0.1 -11,-0.0 2,-0.1 -2,-0.0 -0.871 43.4 145.7-110.8 100.8 3.2 138.2 -12.5 71 71 A L + 0 0 8 -2,-0.7 -1,-0.1 1,-0.1 111,-0.1 0.385 61.4 76.7-107.9 -2.0 6.2 135.8 -13.1 72 72 A Q S S+ 0 0 57 -3,-0.1 2,-0.6 1,-0.1 161,-0.1 0.913 80.0 69.8 -75.1 -47.4 8.2 138.3 -15.2 73 73 A D - 0 0 107 1,-0.0 2,-0.5 0, 0.0 -1,-0.1 -0.676 66.1-169.5 -83.2 116.0 9.4 140.6 -12.4 74 74 A L - 0 0 37 -2,-0.6 159,-0.1 157,-0.1 3,-0.1 -0.928 13.3-136.4-111.6 123.9 12.0 138.9 -10.2 75 75 A G - 0 0 32 -2,-0.5 2,-0.2 -59,-0.4 -1,-0.0 -0.020 40.4 -70.0 -68.3 173.8 13.2 140.5 -7.0 76 76 A K - 0 0 172 1,-0.0 2,-0.4 2,-0.0 -1,-0.2 -0.456 44.7-146.7 -70.0 134.3 16.8 140.7 -5.8 77 77 A L - 0 0 22 -2,-0.2 2,-0.5 -3,-0.1 -56,-0.1 -0.838 4.6-158.9-100.7 139.9 18.4 137.5 -4.7 78 78 A N + 0 0 104 -2,-0.4 15,-0.1 1,-0.2 11,-0.1 -0.834 17.9 171.9-122.5 91.7 21.0 137.5 -1.9 79 79 A I - 0 0 37 -2,-0.5 10,-0.2 10,-0.1 -1,-0.2 0.996 17.0-156.7 -62.8 -82.2 23.1 134.4 -2.2 80 80 A G - 0 0 11 1,-0.1 6,-0.0 9,-0.1 -2,-0.0 0.074 20.3-123.6 103.6 138.1 26.0 134.4 0.2 81 81 A E S S+ 0 0 111 -2,-0.1 2,-0.3 5,-0.0 -1,-0.1 0.187 86.8 50.3-102.7 17.0 29.2 132.5 -0.1 82 82 A D S > S- 0 0 73 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.992 87.0-106.8-152.6 153.3 29.1 130.7 3.2 83 83 A V H > S+ 0 0 12 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.885 116.6 42.5 -45.4 -56.4 26.7 128.6 5.2 84 84 A E H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.903 113.7 52.0 -63.5 -41.8 25.8 131.1 7.8 85 85 A E H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 111.1 49.0 -60.3 -42.4 25.5 134.0 5.4 86 86 A M H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.936 111.5 47.4 -63.5 -47.6 23.2 131.9 3.3 87 87 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.872 112.1 51.2 -62.3 -37.4 21.0 130.9 6.2 88 88 A R H X S+ 0 0 108 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.865 108.5 52.0 -68.9 -35.0 20.9 134.5 7.3 89 89 A S H X S+ 0 0 9 -4,-2.0 4,-2.6 -10,-0.2 -2,-0.2 0.949 111.1 46.3 -63.3 -51.5 19.9 135.6 3.8 90 90 A D H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.959 111.3 52.9 -55.6 -51.6 17.0 133.1 3.7 91 91 A L H X S+ 0 0 27 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.932 110.0 47.3 -49.2 -53.8 16.0 134.2 7.2 92 92 A A H X S+ 0 0 51 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.910 112.3 50.6 -56.2 -44.1 15.9 137.9 6.1 93 93 A L H X S+ 0 0 35 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.918 111.8 47.6 -60.7 -43.6 13.9 136.9 3.0 94 94 A E H X S+ 0 0 6 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.905 108.8 53.6 -66.3 -43.7 11.4 134.9 5.1 95 95 A L H X S+ 0 0 63 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.891 110.6 47.2 -57.9 -43.0 10.9 137.7 7.6 96 96 A D H X S+ 0 0 78 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.912 110.3 52.1 -64.9 -45.6 10.1 140.2 4.9 97 97 A G H X S+ 0 0 13 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.938 109.5 49.4 -57.0 -47.8 7.7 137.8 3.2 98 98 A A H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.909 107.8 55.9 -56.6 -43.0 5.9 137.3 6.5 99 99 A K H X S+ 0 0 128 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.926 110.2 44.4 -56.7 -47.1 5.8 141.1 6.9 100 100 A N H X S+ 0 0 19 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.919 110.4 55.4 -64.5 -44.1 4.0 141.4 3.5 101 101 A L H X S+ 0 0 4 -4,-2.7 4,-3.5 1,-0.2 5,-0.2 0.931 105.3 51.1 -53.9 -51.7 1.6 138.5 4.3 102 102 A R H X S+ 0 0 45 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.871 112.3 47.9 -55.5 -40.1 0.4 140.1 7.5 103 103 A E H X S+ 0 0 102 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.926 114.1 45.9 -66.3 -46.5 -0.3 143.3 5.6 104 104 A A H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.906 112.3 51.4 -63.3 -43.7 -2.1 141.4 2.8 105 105 A I H X S+ 0 0 0 -4,-3.5 4,-2.1 2,-0.2 -2,-0.2 0.949 108.7 49.4 -60.0 -51.9 -4.1 139.3 5.2 106 106 A G H X S+ 0 0 19 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.877 113.5 49.0 -56.4 -37.4 -5.3 142.3 7.2 107 107 A Y H X S+ 0 0 62 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.936 106.7 52.5 -69.2 -48.2 -6.3 143.9 3.9 108 108 A A H <>S+ 0 0 1 -4,-2.8 5,-2.6 1,-0.2 -1,-0.2 0.877 107.2 56.5 -54.7 -38.3 -8.2 140.9 2.5 109 109 A D H ><5S+ 0 0 58 -4,-2.1 3,-1.1 3,-0.2 -1,-0.2 0.929 107.0 46.8 -58.2 -50.3 -10.2 140.9 5.8 110 110 A S H 3<5S+ 0 0 70 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.853 114.2 46.5 -63.7 -36.9 -11.3 144.5 5.3 111 111 A V T 3<5S- 0 0 48 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.379 114.6-120.0 -86.6 3.5 -12.3 143.9 1.7 112 112 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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 0.0 160 1 B M 0 0 123 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.6 37.0 121.4 -11.1 161 2 B K - 0 0 180 64,-0.1 2,-0.2 1,-0.1 64,-0.2 -0.351 360.0-163.2 -59.2 125.5 37.9 124.7 -12.8 162 3 B G - 0 0 12 62,-1.6 2,-0.2 59,-0.1 -1,-0.1 -0.621 29.9 -77.5-109.2 169.0 36.0 125.0 -16.1 163 4 B D > - 0 0 54 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.432 35.4-140.1 -64.4 130.7 36.3 127.1 -19.2 164 5 B T H > S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.937 102.7 51.2 -58.2 -48.9 35.0 130.6 -18.6 165 6 B K H > S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.860 110.7 50.6 -58.0 -37.5 33.3 130.9 -22.0 166 7 B V H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.960 107.6 51.0 -64.8 -52.7 31.7 127.5 -21.3 167 8 B I H X S+ 0 0 19 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.842 108.7 54.4 -53.5 -35.4 30.3 128.5 -18.0 168 9 B N H X S+ 0 0 87 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.912 107.6 47.8 -65.7 -45.7 28.9 131.6 -19.7 169 10 B Y H X S+ 0 0 27 -4,-1.9 4,-2.8 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57.8 -65.3 -42.8 -10.4 125.2 -32.8 306 147 B Q H > S+ 0 0 177 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 112.5 39.8 -61.4 -46.9 -13.8 124.2 -31.5 307 148 B N H X S+ 0 0 93 -4,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.925 114.7 54.7 -62.4 -47.3 -13.1 120.4 -32.0 308 149 B Y H < S+ 0 0 3 -4,-2.0 4,-0.4 2,-0.2 3,-0.3 0.917 110.3 44.7 -53.7 -48.5 -9.5 120.8 -30.7 309 150 B L H >X S+ 0 0 57 -4,-3.1 3,-1.8 1,-0.3 4,-0.7 0.893 107.8 57.8 -65.2 -42.7 -10.6 122.5 -27.5 310 151 B Q H >< S+ 0 0 130 -4,-2.0 3,-0.8 -5,-0.3 4,-0.3 0.857 103.3 56.6 -49.6 -38.3 -13.3 119.9 -27.1 311 152 B A T 3< S+ 0 0 53 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.593 103.6 53.6 -72.7 -11.4 -10.4 117.4 -27.2 312 153 B Q T <4 S+ 0 0 4 -3,-1.8 -114,-2.0 -4,-0.4 -113,-0.5 0.536 81.5 86.0-100.7 -11.2 -8.6 119.0 -24.3 313 154 B I S << S+ 0 0 75 -3,-0.8 -116,-0.7 -4,-0.7 2,-0.3 0.868 86.1 57.0 -61.7 -37.2 -11.3 119.0 -21.6 314 155 B R S S- 0 0 197 -4,-0.3 -116,-0.1 -117,-0.1 2,-0.1 -0.737 90.8-108.6-101.6 146.7 -10.6 115.5 -20.4 315 156 B E - 0 0 133 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51.0 -64.8 -52.6 50.5 69.5 25.7 326 8 C I H X S+ 0 0 22 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.836 108.7 54.5 -53.4 -35.1 47.7 69.4 28.3 327 9 C N H X S+ 0 0 85 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.914 107.5 47.7 -65.9 -45.3 49.8 71.7 30.4 328 10 C Y H X S+ 0 0 30 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.918 109.9 55.1 -60.5 -43.7 50.1 74.2 27.6 329 11 C L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.935 108.6 46.0 -55.2 -50.2 46.4 73.9 27.1 330 12 C N H X S+ 0 0 30 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.842 111.4 53.1 -62.2 -35.1 45.6 74.8 30.7 331 13 C K H X S+ 0 0 99 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.925 112.0 44.7 -64.0 -45.9 48.1 77.6 30.5 332 14 C L H X S+ 0 0 2 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.891 111.4 53.6 -65.1 -40.3 46.2 78.9 27.4 333 15 C L H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.916 105.8 53.9 -60.7 -42.6 42.9 78.3 29.2 334 16 C G H X S+ 0 0 16 -4,-2.4 4,-1.6 1,-0.2 59,-0.4 0.893 105.3 54.0 -58.4 -40.7 44.2 80.4 32.0 335 17 C N H X S+ 0 0 39 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.931 109.9 47.2 -58.0 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108.5 54.8 -60.0 -39.9 22.4 76.8 35.0 525 48 D S H X S+ 0 0 0 -4,-2.8 4,-1.6 -5,-0.3 -1,-0.2 0.911 107.5 49.3 -58.9 -43.4 26.0 78.0 34.2 526 49 D I H X S+ 0 0 43 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.873 105.6 57.4 -64.7 -37.9 24.6 80.7 31.9 527 50 D D H X S+ 0 0 29 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.912 106.1 50.1 -60.2 -39.4 22.1 81.8 34.5 528 51 D E H X S+ 0 0 2 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.843 107.0 54.7 -68.7 -33.4 25.0 82.4 36.9 529 52 D M H X S+ 0 0 47 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.901 110.4 46.0 -63.3 -41.1 26.7 84.4 34.2 530 53 D K H X S+ 0 0 124 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.892 110.7 51.6 -68.9 -45.8 23.6 86.6 33.9 531 54 D H H X S+ 0 0 7 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.950 109.8 51.3 -53.3 -48.9 23.3 87.0 37.6 532 55 D A H X S+ 0 0 5 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.870 107.4 52.6 -56.4 -41.7 26.9 88.1 37.7 533 56 D D H X S+ 0 0 29 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.918 107.5 51.8 -61.4 -44.1 26.2 90.6 35.0 534 57 D R H X S+ 0 0 79 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.934 112.3 46.9 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63.7-101.4-108.1-174.4 31.7 100.8 43.3 545 68 D L - 0 0 116 -2,-0.2 -5,-0.0 -3,-0.1 -56,-0.0 -0.911 27.3-136.0-119.7 106.4 34.3 98.4 42.0 546 69 D P - 0 0 14 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.275 16.8-140.4 -57.8 140.4 33.3 95.0 40.8 547 70 D N + 0 0 57 1,-0.1 -11,-0.0 2,-0.1 -2,-0.0 -0.871 43.4 145.5-111.2 101.1 35.7 92.3 42.0 548 71 D L + 0 0 7 -2,-0.7 -1,-0.1 1,-0.1 -207,-0.1 0.383 61.4 76.8-108.1 -2.0 36.4 89.6 39.4 549 72 D Q S S+ 0 0 55 -3,-0.1 2,-0.6 1,-0.1 -157,-0.1 0.911 79.9 69.8 -75.0 -47.7 39.9 89.1 40.5 550 73 D D - 0 0 105 1,-0.0 2,-0.5 0, 0.0 -1,-0.1 -0.679 66.0-169.4 -83.0 115.9 39.4 87.0 43.6 551 74 D L - 0 0 39 -2,-0.6 -159,-0.1 -161,-0.1 3,-0.1 -0.929 13.2-136.6-111.4 123.5 38.0 83.5 42.8 552 75 D G - 0 0 34 -2,-0.5 2,-0.2 -59,-0.4 -1,-0.0 -0.023 40.4 -69.8 -68.5 173.8 36.7 81.2 45.5 553 76 D K - 0 0 177 1,-0.0 2,-0.4 2,-0.0 -1,-0.2 -0.449 44.7-146.9 -69.9 134.3 37.5 77.5 45.9 554 77 D L - 0 0 22 -2,-0.2 2,-0.6 -3,-0.1 -56,-0.1 -0.843 4.5-159.0-101.0 139.5 35.9 75.2 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4,-2.5 1,-0.2 5,-0.2 0.906 107.8 55.9 -56.0 -43.3 21.5 81.5 49.4 576 99 D K H X S+ 0 0 129 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.928 110.2 44.3 -56.8 -47.1 22.8 81.9 52.9 577 100 D N H X S+ 0 0 17 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.921 110.3 55.4 -64.3 -44.3 24.8 85.0 51.9 578 101 D L H X S+ 0 0 4 -4,-2.7 4,-3.5 1,-0.2 5,-0.2 0.932 105.3 51.0 -53.7 -51.9 21.9 86.4 49.8 579 102 D R H X S+ 0 0 41 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.874 112.2 48.0 -55.2 -40.4 19.5 86.4 52.8 580 103 D E H X S+ 0 0 102 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.927 114.1 45.8 -65.8 -46.6 22.1 88.2 54.9 581 104 D A H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.902 112.3 51.6 -63.5 -43.4 22.7 90.8 52.1 582 105 D I H X S+ 0 0 0 -4,-3.5 4,-2.1 2,-0.2 -2,-0.2 0.954 108.8 49.2 -60.0 -51.7 19.0 91.2 51.6 583 106 D G H X S+ 0 0 19 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.876 113.5 49.0 -56.5 -37.6 18.3 91.9 55.2 584 107 D Y H X S+ 0 0 59 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.936 106.6 52.6 -68.8 -48.5 21.1 94.4 55.3 585 108 D A H <>S+ 0 0 1 -4,-2.8 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50.6 -57.4 -38.0 -33.3 61.5 47.6 643 7 E V H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.961 107.6 50.9 -64.7 -53.0 -31.8 62.1 44.1 644 8 E I H X S+ 0 0 19 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.837 108.7 54.6 -53.3 -35.1 -30.3 65.5 45.1 645 9 E N H X S+ 0 0 87 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.915 107.5 47.8 -65.8 -45.6 -28.9 63.7 48.2 646 10 E Y H X S+ 0 0 27 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.920 109.9 55.0 -60.0 -44.1 -27.1 61.2 46.0 647 11 E L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.934 108.6 46.1 -54.7 -50.3 -25.8 64.0 43.9 648 12 E N H X S+ 0 0 28 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.843 111.4 53.1 -62.3 -35.2 -24.3 65.8 46.8 649 13 E K H X S+ 0 0 99 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.925 112.1 44.7 -64.0 -45.7 -22.8 62.5 48.0 650 14 E L H X S+ 0 0 2 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.888 111.4 53.5 -65.3 -39.9 -21.3 62.0 44.5 651 15 E L H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.914 105.8 53.8 -60.9 -42.6 -20.2 65.7 44.6 652 16 E G H X S+ 0 0 17 -4,-2.4 4,-1.6 1,-0.2 59,-0.4 0.896 105.4 53.9 -58.9 -40.6 -18.5 65.0 47.9 653 17 E N H X S+ 0 0 38 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.932 109.9 47.2 -57.6 -48.5 -16.6 62.1 46.3 654 18 E E H X S+ 0 0 6 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.900 106.2 57.0 -61.8 -43.9 -15.3 64.4 43.5 655 19 E L H X S+ 0 0 12 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.854 109.3 47.0 -56.0 -38.4 -14.3 67.1 46.0 656 20 E V H X S+ 0 0 8 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.923 112.0 49.5 -70.7 -44.1 -12.1 64.5 47.7 657 21 E A H X S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 5,-0.4 0.902 106.2 57.4 -60.8 -43.6 -10.6 63.2 44.4 658 22 E I H X S+ 0 0 25 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.960 112.8 39.4 -51.4 -56.6 -9.8 66.8 43.3 659 23 E N H X S+ 0 0 27 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.886 118.9 45.8 -62.8 -45.8 -7.7 67.4 46.4 660 24 E Q H X S+ 0 0 4 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.970 115.7 45.4 -63.6 -54.0 -6.0 64.0 46.5 661 25 E Y H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.888 115.2 48.7 -56.9 -42.8 -5.3 63.9 42.8 662 26 E F H X S+ 0 0 28 -4,-2.3 4,-2.1 -5,-0.4 -1,-0.2 0.893 113.0 45.4 -66.9 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-56,-0.1 -0.839 4.6-158.9-100.9 139.8 -8.0 62.2 52.1 714 78 E N + 0 0 106 -2,-0.4 15,-0.1 1,-0.2 11,-0.0 -0.834 17.9 171.9-122.5 91.5 -5.5 59.3 52.0 715 79 E I - 0 0 36 -2,-0.5 10,-0.2 10,-0.1 -1,-0.2 0.996 17.0-156.6 -62.7 -82.6 -2.3 60.7 50.6 716 80 E G - 0 0 11 1,-0.1 6,-0.0 9,-0.1 -2,-0.0 0.076 20.3-123.6 103.9 138.4 0.5 58.2 50.9 717 81 E E S S+ 0 0 109 -2,-0.1 2,-0.3 5,-0.0 -1,-0.1 0.189 86.8 50.2-103.0 17.1 4.3 58.9 51.0 718 82 E D S > S- 0 0 70 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.993 86.9-106.8-152.7 153.3 5.3 56.8 48.0 719 83 E V H > S+ 0 0 13 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.881 116.6 42.5 -44.9 -56.8 4.3 56.3 44.4 720 84 E E H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 113.6 52.0 -63.1 -42.2 2.6 52.9 44.7 721 85 E E H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 111.1 49.0 -59.9 -42.2 0.9 53.9 48.0 722 86 E M H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.937 111.5 47.4 -63.9 -47.7 -0.5 57.0 46.2 723 87 E L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.872 112.1 51.1 -62.2 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-16.9 56.4 44.0 734 98 E A H X S+ 0 0 7 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.910 107.8 55.9 -56.4 -43.4 -18.0 53.9 41.3 735 99 E K H X S+ 0 0 128 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.925 110.2 44.5 -56.3 -46.9 -19.7 51.9 44.0 736 100 E N H X S+ 0 0 15 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.918 110.3 55.3 -64.5 -44.3 -21.8 55.0 44.9 737 101 E L H X S+ 0 0 4 -4,-2.7 4,-3.5 1,-0.2 5,-0.2 0.932 105.3 51.1 -54.1 -51.7 -22.5 55.9 41.3 738 102 E R H X S+ 0 0 128 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.869 112.3 47.9 -55.6 -40.3 -24.0 52.5 40.5 739 103 E E H X S+ 0 0 104 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.925 114.1 45.9 -66.1 -46.3 -26.2 52.9 43.6 740 104 E A H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.905 112.3 51.5 -63.6 -43.7 -27.2 56.4 42.6 741 105 E I H X S+ 0 0 15 -4,-3.5 4,-2.1 1,-0.2 -2,-0.2 0.951 108.7 49.4 -59.8 -51.6 -27.9 55.4 39.0 742 106 E G H X S+ 0 0 41 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.874 113.5 49.0 -56.7 -37.3 -30.1 52.5 39.9 743 107 E Y H X S+ 0 0 59 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.937 106.7 52.5 -69.3 -48.3 -32.0 54.9 42.2 744 108 E A H <>S+ 0 0 1 -4,-2.8 5,-2.6 1,-0.2 -2,-0.2 0.874 107.2 56.5 -54.7 -38.1 -32.5 57.7 39.6 745 109 E D H ><5S+ 0 0 66 -4,-2.1 3,-1.1 3,-0.2 -1,-0.2 0.929 107.0 46.8 -58.4 -50.1 -33.9 55.0 37.3 746 110 E S H 3<5S+ 0 0 72 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.851 114.2 46.5 -63.7 -36.9 -36.6 54.0 39.7 747 111 E V T 3<5S- 0 0 46 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.376 114.5-119.9 -86.6 3.3 -37.6 57.6 40.5 748 112 E H T < 5 + 0 0 123 -3,-1.1 2,-1.8 -5,-0.2 3,-0.2 0.676 64.8 144.9 65.2 23.7 -37.6 58.3 36.7 749 113 E D >< + 0 0 22 -5,-2.6 4,-2.2 1,-0.2 3,-0.4 -0.491 15.7 161.9 -87.9 67.0 -34.8 61.0 36.8 750 114 E Y H > + 0 0 119 -2,-1.8 4,-2.6 1,-0.2 5,-0.2 0.815 65.3 56.6 -60.8 -35.0 -33.5 59.8 33.5 751 115 E V H > S+ 0 0 95 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.882 110.7 44.4 -68.1 -36.1 -31.5 63.0 32.8 752 116 E S H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.912 111.8 54.6 -70.1 -42.4 -29.6 62.7 36.0 753 117 E R H X S+ 0 0 68 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.944 108.9 46.9 -53.9 -52.8 -29.1 58.9 35.4 754 118 E D H X S+ 0 0 93 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.889 110.0 53.1 -60.8 -41.3 -27.5 59.6 32.0 755 119 E M H X S+ 0 0 18 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.958 110.5 47.6 -57.0 -51.4 -25.2 62.3 33.3 756 120 E M H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.831 107.7 55.0 -60.4 -36.8 -24.0 59.9 36.0 757 121 E I H X S+ 0 0 63 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.893 107.4 51.0 -66.2 -36.6 -23.4 57.1 33.5 758 122 E E H X S+ 0 0 85 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.953 112.3 45.6 -61.9 -49.2 -21.2 59.4 31.5 759 123 E I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.879 111.1 53.4 -60.7 -39.6 -19.2 60.3 34.6 760 124 E L H X S+ 0 0 19 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.913 103.5 56.8 -61.8 -42.7 -19.1 56.6 35.5 761 125 E R H X S+ 0 0 196 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.915 110.3 45.6 -53.8 -43.8 -17.7 55.9 32.0 762 126 E D H >X S+ 0 0 75 -4,-1.7 4,-1.7 2,-0.2 3,-0.9 0.941 109.4 53.1 -66.4 -50.1 -14.9 58.4 32.9 763 127 E E H 3X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.3 3,-0.2 0.920 104.1 55.4 -53.3 -46.6 -14.2 57.0 36.3 764 128 E E H 3X S+ 0 0 92 -4,-2.7 4,-2.3 1,-0.3 -1,-0.3 0.772 104.6 56.5 -59.1 -25.5 -13.7 53.5 35.0 765 129 E G H S+ 0 0 80 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.865 121.4 57.2 -69.0 -37.7 10.1 50.2 40.8 783 147 E Q H > S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 111.5 40.9 -63.3 -45.4 13.5 51.5 39.7 784 148 E N H > S+ 0 0 74 -4,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.918 115.3 53.5 -66.5 -41.3 12.7 51.0 36.0 785 149 E Y H < S+ 0 0 2 -4,-1.8 4,-0.4 1,-0.2 3,-0.4 0.946 109.7 45.7 -59.6 -50.9 9.2 52.3 36.5 786 150 E L H >X S+ 0 0 8 -4,-3.1 3,-2.3 1,-0.2 4,-0.8 0.923 107.5 58.0 -57.9 -46.2 10.4 55.5 38.1 787 151 E Q H >< S+ 0 0 27 -4,-2.0 3,-0.6 1,-0.3 4,-0.4 0.846 103.6 55.4 -52.2 -35.7 13.0 56.0 35.5 788 152 E A T 3< S+ 0 0 53 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.591 101.7 57.7 -74.4 -11.4 10.1 55.9 33.0 789 153 E Q T <4 S+ 0 0 4 -3,-2.3 -114,-2.1 -4,-0.4 -113,-0.6 0.594 82.7 83.1 -94.7 -14.5 8.2 58.8 34.8 790 154 E I S << S+ 0 0 10 -4,-0.8 -116,-0.8 -3,-0.6 2,-0.3 0.908 85.3 56.9 -56.7 -48.1 10.9 61.5 34.6 791 155 E R S S- 0 0 65 -4,-0.4 -116,-0.1 -117,-0.2 2,-0.0 -0.664 90.8-109.7 -95.9 142.8 10.1 62.7 31.0 792 156 E E - 0 0 125 -2,-0.3 2,-0.9 -118,-0.1 -117,-0.1 -0.407 36.3-114.9 -64.0 141.8 6.8 64.0 29.9 793 157 E E 0 0 138 1,-0.2 -1,-0.1 -118,-0.1 -4,-0.0 -0.739 360.0 360.0 -85.0 107.5 5.1 61.6 27.5 794 158 E G 0 0 143 -2,-0.9 -1,-0.2 0, 0.0 -2,-0.0 0.990 360.0 360.0 -72.2 360.0 4.9 63.3 24.1 795 !* 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 0.0 796 1 F M 0 0 27 0, 0.0 2,-0.1 0, 0.0 -187,-0.0 0.000 360.0 360.0 360.0 122.8 15.1 72.5 51.2 797 2 F K - 0 0 176 64,-0.1 2,-0.2 1,-0.1 64,-0.2 -0.351 360.0-163.1 -59.0 125.9 14.1 72.4 54.9 798 3 F G - 0 0 13 62,-1.6 2,-0.2 59,-0.1 -1,-0.1 -0.627 29.9 -77.5-109.8 168.7 12.0 75.4 55.7 799 4 F D > - 0 0 54 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.430 35.4-140.0 -64.4 131.0 11.0 77.2 58.9 800 5 F T H > S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.937 102.7 51.1 -58.1 -49.1 8.2 75.3 60.7 801 6 F K H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.860 110.7 50.6 -57.9 -37.8 6.3 78.4 61.7 802 7 F V H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.961 107.6 51.0 -64.7 -52.6 6.5 79.6 58.1 803 8 F I H X S+ 0 0 20 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.839 108.7 54.5 -53.9 -35.0 5.2 76.3 56.7 804 9 F N H X S+ 0 0 86 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.914 107.6 47.7 -65.8 -45.2 2.3 76.6 59.2 805 10 F Y H X S+ 0 0 27 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.920 109.9 55.0 -60.2 -44.1 1.4 80.1 57.9 806 11 F L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.932 108.7 46.0 -54.9 -50.3 1.6 78.7 54.4 807 12 F N H X S+ 0 0 27 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.845 111.4 53.1 -62.0 -35.6 -0.9 76.0 55.2 808 13 F K H X S+ 0 0 99 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.926 112.1 44.7 -63.7 -45.9 -3.1 78.5 57.0 809 14 F L H X S+ 0 0 1 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.888 111.4 53.5 -65.0 -40.0 -3.0 80.7 53.8 810 15 F L H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.915 105.8 53.9 -61.0 -42.5 -3.6 77.6 51.7 811 16 F G H X S+ 0 0 17 -4,-2.4 4,-1.6 1,-0.2 59,-0.4 0.893 105.3 54.0 -58.3 -40.8 -6.7 76.9 53.9 812 17 F N H X S+ 0 0 41 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.932 109.9 47.0 -57.8 -48.2 -7.9 80.4 53.1 813 18 F E H X S+ 0 0 6 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.904 106.1 57.1 -61.9 -44.7 -7.6 79.7 49.4 814 19 F L H X S+ 0 0 12 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.854 109.3 47.0 -55.5 -38.1 -9.4 76.3 49.6 815 20 F V H X S+ 0 0 8 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.921 112.0 49.5 -71.0 -44.0 -12.4 78.1 51.1 816 21 F A H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 5,-0.4 0.902 106.2 57.4 -60.8 -43.5 -12.3 80.9 48.5 817 22 F I H X S+ 0 0 24 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.962 112.8 39.4 -51.7 -56.5 -12.2 78.3 45.7 818 23 F N H X S+ 0 0 26 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.887 118.9 45.7 -62.7 -45.9 -15.3 76.6 46.8 819 24 F Q H X S+ 0 0 5 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.972 115.8 45.4 -63.7 -54.1 -17.2 79.8 47.8 820 25 F Y H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.888 115.2 48.7 -56.6 -42.9 -16.3 81.7 44.6 821 26 F F H X S+ 0 0 29 -4,-2.3 4,-2.1 -5,-0.4 -1,-0.2 0.897 113.0 45.4 -67.0 -42.9 -17.1 78.6 42.5 822 27 F L H X S+ 0 0 9 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.941 113.2 50.3 -67.1 -46.6 -20.5 77.9 44.0 823 28 F H H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.919 108.7 54.6 -55.2 -45.0 -21.5 81.6 43.9 824 29 F A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.960 110.7 42.8 -53.7 -58.3 -20.4 81.7 40.2 825 30 F R H X S+ 0 0 19 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.777 111.5 56.1 -62.3 -28.0 -22.7 78.8 39.2 826 31 F M H X S+ 0 0 11 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.908 109.7 45.8 -68.7 -42.3 -25.5 80.2 41.4 827 32 F F H <>S+ 0 0 1 -4,-2.6 5,-3.0 2,-0.2 4,-0.4 0.915 114.0 49.1 -63.5 -43.6 -25.1 83.4 39.4 828 33 F K H ><5S+ 0 0 92 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.924 108.6 52.4 -61.7 -45.2 -25.1 81.4 36.2 829 34 F N H 3<5S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.885 109.5 50.7 -58.6 -37.9 -28.1 79.4 37.3 830 35 F W T 3<5S- 0 0 106 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.499 121.3-108.8 -78.5 -5.6 -29.8 82.8 37.9 831 36 F G T < 5S+ 0 0 32 -3,-1.4 2,-1.2 -4,-0.4 -3,-0.2 0.650 75.5 136.4 85.7 16.6 -28.9 84.0 34.4 832 37 F L >< + 0 0 15 -5,-3.0 4,-2.2 1,-0.2 3,-0.4 -0.553 21.1 167.8 -96.7 68.6 -26.3 86.6 35.5 833 38 F K H > S+ 0 0 96 -2,-1.2 4,-2.8 116,-0.8 5,-0.3 0.897 71.7 54.5 -47.1 -56.0 -23.6 85.7 33.0 834 39 F R H > S+ 0 0 9 114,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.902 112.7 44.9 -48.0 -46.6 -21.5 88.8 33.6 835 40 F L H > S+ 0 0 0 113,-0.6 4,-2.4 -3,-0.4 5,-0.3 0.850 110.4 54.2 -68.8 -35.8 -21.3 87.8 37.3 836 41 F N H X S+ 0 0 13 -4,-2.2 4,-2.9 112,-0.3 5,-0.2 0.960 107.7 50.0 -62.3 -50.2 -20.7 84.2 36.5 837 42 F D H X S+ 0 0 58 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.921 113.6 46.1 -53.3 -48.9 -17.7 85.0 34.4 838 43 F V H X S+ 0 0 29 -4,-1.9 4,-2.8 -5,-0.3 5,-0.3 0.982 115.3 43.1 -60.0 -62.7 -16.2 87.2 37.1 839 44 F E H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.892 114.0 53.5 -50.3 -46.2 -16.7 84.8 40.0 840 45 F Y H X S+ 0 0 96 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.973 110.1 46.5 -53.4 -57.8 -15.5 82.0 37.9 841 46 F H H X S+ 0 0 108 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4,-2.6 2,-0.2 5,-0.3 0.920 107.5 51.9 -60.9 -43.9 -1.1 75.6 43.7 852 57 F R H X S+ 0 0 79 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.937 112.2 46.8 -58.0 -44.9 1.6 78.1 44.4 853 58 F Y H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.947 111.2 50.0 -61.4 -51.3 1.2 77.4 48.1 854 59 F I H X S+ 0 0 3 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.923 112.5 46.7 -55.2 -49.0 1.2 73.7 47.8 855 60 F E H X S+ 0 0 60 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.892 112.3 50.7 -64.0 -38.4 4.3 73.7 45.7 856 61 F R H X S+ 0 0 22 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.920 111.0 47.3 -65.4 -45.7 6.1 76.0 48.1 857 62 F I H <>S+ 0 0 0 -4,-2.6 5,-3.1 2,-0.2 -2,-0.2 0.919 113.6 49.2 -61.1 -45.0 5.3 73.9 51.1 858 63 F L H ><5S+ 0 0 16 -4,-2.3 3,-1.6 -5,-0.2 -2,-0.2 0.908 110.4 49.3 -61.7 -45.0 6.4 70.8 49.3 859 64 F F H 3<5S+ 0 0 15 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.952 107.8 55.0 -59.1 -46.5 9.6 72.4 48.2 860 65 F L T 3<5S- 0 0 1 -4,-2.7 -62,-1.6 -5,-0.2 -1,-0.3 0.335 121.0-114.1 -69.6 8.5 10.1 73.5 51.8 861 66 F E T < 5S+ 0 0 130 -3,-1.6 -3,-0.2 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H T < 5 + 0 0 75 -3,-1.1 2,-1.8 -5,-0.2 3,-0.2 0.678 64.8 144.9 65.3 23.5 2.3 96.3 56.7 1226 113 H D >< + 0 0 11 -5,-2.6 4,-2.2 1,-0.2 3,-0.4 -0.492 15.7 161.9 -88.1 67.3 1.1 98.0 53.5 1227 114 H Y H > + 0 0 5 -2,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.813 65.2 56.6 -61.3 -34.8 3.1 95.6 51.4 1228 115 H V H > S+ 0 0 10 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.884 110.8 44.4 -68.1 -36.5 1.2 96.2 48.1 1229 116 H S H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.913 111.8 54.7 -69.9 -42.2 2.0 99.9 48.3 1230 117 H R H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.941 108.9 46.8 -54.0 -52.6 5.6 99.1 49.3 1231 118 H D H X S+ 0 0 31 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.889 110.0 53.2 -61.2 -41.2 6.1 96.9 46.2 1232 119 H M H X S+ 0 0 11 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.957 110.5 47.4 -56.7 -51.8 4.5 99.5 43.9 1233 120 H M H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.840 107.7 55.3 -60.0 -37.4 6.9 102.1 45.2 1234 121 H I H X S+ 0 0 12 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.895 107.4 50.9 -65.3 -36.9 9.9 99.8 44.9 1235 122 H E H X S+ 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17.7 105.5 16.0