==== 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 DNA-BINDING PROTEIN/DNA 31-OCT-05 2C5R . COMPND 2 MOLECULE: EARLY PROTEIN P16.7; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS PHAGE PHI29; . AUTHOR A.ALBERT,M.JIMENEZ,D.MUNOZ-ESPIN,J.L.ASENSIO,J.A.HERMOSO,M.S . 378 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 71.7 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 . 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 . 22 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 53.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 6 0 0 0 6 0 0 0 0 0 2 0 4 0 0 0 0 0 0 0 0 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 66 A N 0 0 218 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.1 30.9 6.5 38.7 2 67 A L - 0 0 63 1,-0.1 2,-0.1 2,-0.0 27,-0.0 -0.788 360.0 -61.7-144.0 172.2 33.6 7.3 36.1 3 68 A S > - 0 0 31 -2,-0.2 4,-1.8 1,-0.1 3,-0.4 -0.370 47.2-118.6 -63.9 144.5 36.9 8.9 35.1 4 69 A A H > S+ 0 0 85 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.765 113.0 48.1 -55.1 -34.1 37.4 12.7 35.6 5 70 A C H > S+ 0 0 21 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.818 107.9 56.0 -81.1 -29.3 38.0 13.5 31.9 6 71 A E H >> S+ 0 0 5 -3,-0.4 4,-2.4 2,-0.2 3,-1.5 0.998 110.1 45.1 -56.5 -69.2 34.9 11.4 31.0 7 72 A V H 3X S+ 0 0 57 -4,-1.8 4,-2.4 1,-0.3 5,-0.2 0.849 106.7 62.0 -30.3 -52.9 32.9 13.6 33.3 8 73 A A H 3X S+ 0 0 39 -4,-1.9 4,-0.9 1,-0.2 -1,-0.3 0.872 111.8 36.2 -53.3 -41.9 34.6 16.7 31.8 9 74 A V H XX S+ 0 0 4 -4,-1.8 4,-2.3 -3,-1.5 3,-0.6 0.931 109.8 60.1 -81.8 -47.6 33.2 15.9 28.4 10 75 A L H 3X S+ 0 0 26 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.850 105.5 53.4 -45.0 -33.7 29.8 14.6 29.5 11 76 A D H 3X S+ 0 0 78 -4,-2.4 4,-3.2 -5,-0.3 -1,-0.2 0.872 101.6 55.8 -76.9 -32.4 29.4 18.0 31.0 12 77 A L H <>S+ 0 0 2 -4,-2.3 5,-1.3 1,-0.2 3,-0.7 0.951 110.7 50.2 -67.0 -39.6 27.3 17.8 26.3 14 79 A E H ><5S+ 0 0 139 -4,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.912 106.2 53.8 -62.9 -47.1 25.1 18.8 29.2 15 80 A Q H 3<5S+ 0 0 117 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.777 111.2 46.5 -50.9 -32.2 25.9 22.4 28.8 16 81 A S T <<5S- 0 0 8 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.458 114.4-123.1 -91.2 4.8 24.8 22.1 25.1 17 82 A N T < 5 + 0 0 54 -3,-1.5 2,-0.5 -4,-0.4 -3,-0.2 0.948 59.5 145.6 51.6 60.7 21.7 20.2 26.2 18 83 A I < - 0 0 8 -5,-1.3 2,-0.4 100,-0.0 -1,-0.2 -0.994 44.3-138.0-122.3 120.0 22.3 17.0 24.2 19 84 A R - 0 0 88 -2,-0.5 -5,-0.0 -5,-0.0 3,-0.0 -0.694 14.1-143.1 -77.3 132.5 21.2 13.8 25.8 20 85 A I - 0 0 27 -2,-0.4 5,-0.1 -10,-0.1 23,-0.0 -0.858 22.7-116.7 -90.8 125.5 23.7 11.0 25.2 21 86 A P >> - 0 0 1 0, 0.0 4,-1.1 0, 0.0 3,-0.6 -0.316 23.2-124.5 -53.1 146.1 22.1 7.6 24.6 22 87 A S H 3> S+ 0 0 41 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.788 106.5 67.3 -74.1 -23.6 23.1 5.3 27.5 23 88 A D H 3> S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 99.7 53.8 -55.6 -40.1 24.5 2.6 25.1 24 89 A I H <> S+ 0 0 1 -3,-0.6 4,-2.8 1,-0.2 -1,-0.2 0.956 106.1 51.0 -61.6 -46.5 27.1 5.2 24.3 25 90 A I H X S+ 0 0 51 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.915 109.7 51.2 -55.1 -48.4 27.8 5.6 28.0 26 91 A E H X S+ 0 0 119 -4,-2.8 4,-1.6 2,-0.2 3,-0.4 0.972 112.4 44.2 -45.8 -63.7 28.2 1.8 28.3 27 92 A D H < S+ 0 0 24 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.892 109.7 58.3 -56.6 -42.3 30.6 1.5 25.4 28 93 A L H >< S+ 0 0 2 -4,-2.8 3,-0.5 -5,-0.2 5,-0.4 0.886 101.8 52.2 -53.1 -49.5 32.5 4.5 26.7 29 94 A V H >< S+ 0 0 54 -4,-2.1 2,-3.4 -3,-0.4 3,-1.6 0.963 99.2 67.1 -55.4 -48.1 33.3 2.9 30.2 30 95 A N T 3< S+ 0 0 111 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.1 -0.107 99.8 51.3 -68.8 49.5 34.7 -0.2 28.5 31 96 A Q T < S- 0 0 66 -2,-3.4 -1,-0.2 -3,-0.5 -2,-0.1 0.463 79.1-147.7-153.2 -3.5 37.7 1.8 27.0 32 97 A R < - 0 0 187 -3,-1.6 -3,-0.1 -4,-0.2 -2,-0.1 0.801 27.6-168.8 27.4 54.1 39.5 3.8 29.7 33 98 A L - 0 0 17 -5,-0.4 -28,-0.1 1,-0.1 -27,-0.1 -0.396 9.5-150.5 -65.1 150.3 40.4 6.5 27.2 34 99 A Q + 0 0 164 -29,-0.1 2,-0.2 -2,-0.0 -1,-0.1 0.830 63.6 50.5-101.0 -35.5 42.9 9.0 28.5 35 100 A S S > S- 0 0 49 1,-0.1 4,-1.7 -30,-0.0 5,-0.1 -0.611 75.7-123.4 -94.3 165.2 42.6 12.6 27.0 36 101 A E H > S+ 0 0 106 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.914 114.5 60.9 -70.3 -41.9 39.4 14.6 26.9 37 102 A Q H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.916 104.3 48.0 -37.8 -53.1 40.1 14.8 23.1 38 103 A E H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.948 110.3 50.3 -65.7 -48.5 39.9 11.0 22.9 39 104 A V H X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 5,-0.2 0.949 112.5 47.9 -50.0 -54.8 36.6 10.8 24.9 40 105 A L H X S+ 0 0 11 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.887 112.1 48.5 -54.1 -47.5 35.0 13.4 22.7 41 106 A N H X S+ 0 0 69 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.876 112.9 49.0 -60.4 -37.5 36.1 11.8 19.5 42 107 A Y H X S+ 0 0 4 -4,-2.4 4,-1.8 -5,-0.2 3,-0.4 0.964 112.6 46.1 -68.6 -49.1 34.9 8.5 20.7 43 108 A I H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.891 110.0 54.8 -57.7 -44.7 31.5 9.9 21.8 44 109 A E H X S+ 0 0 38 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.809 105.8 51.8 -62.2 -30.1 31.1 11.7 18.5 45 110 A T H X S+ 0 0 8 -4,-1.5 4,-2.1 -3,-0.4 268,-0.3 0.907 108.3 52.9 -66.8 -40.7 31.7 8.6 16.5 46 111 A Q H X S+ 0 0 4 -4,-1.8 4,-2.1 1,-0.3 -2,-0.2 0.869 103.4 55.0 -71.9 -36.3 29.0 6.9 18.6 47 112 A R H X S+ 0 0 4 -4,-1.9 4,-1.9 2,-0.2 -1,-0.3 0.869 108.7 48.8 -54.8 -42.0 26.5 9.6 17.9 48 113 A T H X S+ 0 0 39 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.902 107.5 58.2 -69.0 -36.7 27.0 9.1 14.2 49 114 A Y H X S+ 0 0 9 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.926 113.5 35.5 -55.6 -47.3 26.6 5.5 14.8 50 115 A W H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.660 109.5 61.6 -87.7 -20.5 23.2 5.9 16.3 51 116 A K H < S+ 0 0 56 -4,-1.9 4,-0.5 67,-0.2 -1,-0.2 0.875 114.7 40.4 -58.7 -39.8 22.1 8.7 14.0 52 117 A L H >X S+ 0 0 3 -4,-2.0 3,-1.1 -5,-0.2 4,-0.6 0.944 112.7 50.6 -80.2 -47.7 22.6 6.1 11.4 53 118 A E H >< S+ 0 0 2 -4,-2.7 3,-1.8 1,-0.3 -3,-0.2 0.944 110.3 51.0 -52.0 -47.1 21.2 3.2 13.1 54 119 A N T 3< S+ 0 0 6 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.617 102.9 61.5 -73.9 -12.4 18.0 5.1 13.9 55 120 A Q T <4 S+ 0 0 81 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.516 75.6 115.5 -87.2 -7.9 17.7 6.1 10.3 56 121 A K << - 0 0 3 -3,-1.8 2,-0.4 -4,-0.6 245,-0.0 -0.437 67.2-128.3 -70.2 131.5 17.3 2.5 9.1 57 122 A K - 0 0 141 244,-0.2 2,-0.2 -2,-0.2 248,-0.1 -0.680 15.7-128.9 -92.7 130.9 14.0 2.0 7.7 58 123 A L - 0 0 5 -2,-0.4 2,-0.7 1,-0.1 19,-0.1 -0.524 17.8-124.4 -77.8 140.4 11.9 -1.0 8.9 59 124 A Y - 0 0 45 -2,-0.2 2,-1.0 17,-0.1 -1,-0.1 -0.759 22.2-147.6 -86.3 112.7 10.4 -3.4 6.3 60 125 A R + 0 0 99 -2,-0.7 -1,-0.0 1,-0.2 -2,-0.0 -0.722 33.2 158.6 -91.8 105.3 6.6 -3.5 6.9 61 126 A G S S+ 0 0 65 -2,-1.0 -1,-0.2 1,-0.0 -2,-0.0 0.442 82.6 24.3 -96.2 -6.1 5.3 -7.0 6.0 62 127 A S 0 0 120 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.673 360.0 360.0-129.5 -31.8 2.1 -6.5 8.2 63 128 A L 0 0 153 38,-0.0 -3,-0.0 0, 0.0 38,-0.0 0.918 360.0 360.0 7.5 360.0 1.1 -2.8 8.7 64 !* 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 65 66 B N 0 0 219 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 84.6 10.5 -9.5 31.1 66 67 B L - 0 0 65 1,-0.2 27,-0.0 2,-0.1 0, 0.0 -0.504 360.0 -76.9-118.0 169.1 8.0 -7.8 28.8 67 68 B S > - 0 0 21 -2,-0.2 4,-2.3 1,-0.1 -1,-0.2 -0.085 45.3-113.3 -54.0 155.6 4.4 -7.9 27.3 68 69 B A H > S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.960 116.3 43.0 -59.9 -51.5 3.7 -10.3 24.4 69 70 B C H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.901 109.5 57.5 -66.5 -39.7 3.2 -7.6 21.7 70 71 B E H >> S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 3,-0.6 0.983 111.0 44.8 -45.6 -59.0 6.2 -5.7 23.0 71 72 B V H 3X S+ 0 0 59 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.864 107.4 59.6 -54.7 -38.6 8.1 -8.9 22.3 72 73 B A H 3X S+ 0 0 35 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.937 111.6 39.0 -54.5 -47.9 6.4 -9.3 18.9 73 74 B V H XX S+ 0 0 2 -4,-2.3 4,-2.0 -3,-0.6 3,-0.7 0.949 108.9 58.2 -74.5 -54.4 7.7 -5.9 17.6 74 75 B L H 3X S+ 0 0 26 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.762 106.1 51.8 -48.3 -25.4 11.2 -6.0 19.1 75 76 B D H 3X S+ 0 0 73 -4,-1.4 4,-3.4 -5,-0.3 -1,-0.2 0.839 101.9 59.7 -84.7 -27.9 11.8 -9.2 17.2 76 77 B L H S+ 0 0 2 -4,-2.0 5,-2.2 1,-0.2 3,-0.3 0.855 112.9 51.4 -67.3 -35.7 13.5 -5.1 14.6 78 79 B E H ><5S+ 0 0 144 -4,-1.5 3,-2.2 -5,-0.3 -1,-0.2 0.919 105.7 53.2 -66.8 -42.6 15.8 -7.9 15.4 79 80 B Q H 3<5S+ 0 0 145 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.688 110.3 49.8 -65.0 -17.7 14.9 -9.7 12.2 80 81 B S T 3<5S- 0 0 21 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.347 115.5-120.5 -94.3 11.1 15.7 -6.6 10.4 81 82 B N T < 5 + 0 0 69 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.912 63.1 143.8 49.9 50.4 19.1 -6.3 12.3 82 83 B I < - 0 0 13 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.975 45.1-138.0-117.7 123.0 18.3 -2.9 13.9 83 84 B R - 0 0 83 -2,-0.5 -5,-0.0 -5,-0.0 3,-0.0 -0.648 10.7-147.3 -78.6 136.8 19.5 -2.1 17.4 84 85 B I - 0 0 26 -2,-0.3 5,-0.1 -10,-0.1 23,-0.0 -0.953 25.2-119.2 -98.7 119.1 16.9 -0.4 19.5 85 86 B P >> - 0 0 1 0, 0.0 4,-1.0 0, 0.0 3,-0.7 -0.194 21.3-121.0 -51.5 150.7 18.7 2.0 21.9 86 87 B S H 3> S+ 0 0 40 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.748 108.1 66.5 -79.6 -17.4 18.0 1.1 25.4 87 88 B D H 3> S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.847 100.7 54.2 -58.0 -37.1 16.5 4.4 26.4 88 89 B I H <> S+ 0 0 0 -3,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.908 106.1 50.0 -63.2 -41.2 13.8 3.5 24.0 89 90 B I H >X S+ 0 0 46 -4,-1.0 4,-2.3 2,-0.2 3,-0.9 0.995 110.0 50.7 -61.8 -60.9 13.2 0.2 25.8 90 91 B E H 3X S+ 0 0 113 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.879 112.4 47.9 -26.5 -61.3 13.0 2.0 29.1 91 92 B D H 3< S+ 0 0 27 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.758 109.8 52.7 -68.5 -23.6 10.5 4.4 27.6 92 93 B L H X< S+ 0 0 0 -4,-1.8 3,-1.1 -3,-0.9 4,-0.4 0.873 102.0 55.0 -79.5 -41.1 8.4 1.7 26.1 93 94 B V H >< S+ 0 0 54 -4,-2.3 2,-1.6 1,-0.3 3,-1.5 0.964 99.2 69.8 -54.0 -42.0 8.0 -0.3 29.4 94 95 B N T 3< S+ 0 0 119 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.1 0.102 101.4 41.2 -65.4 27.4 6.6 2.9 30.8 95 96 B Q T < S- 0 0 58 -2,-1.6 -1,-0.2 -3,-1.1 -2,-0.2 0.504 79.5-147.7-150.2 -3.2 3.3 2.9 28.7 96 97 B R < - 0 0 183 -3,-1.5 -3,-0.1 -4,-0.4 -2,-0.1 0.795 28.2-164.7 35.5 46.3 1.9 -0.7 28.6 97 98 B L - 0 0 21 -5,-0.4 -27,-0.2 1,-0.1 -1,-0.1 -0.228 10.2-143.7 -64.3 157.0 0.6 -0.0 25.1 98 99 B Q + 0 0 171 -3,-0.1 2,-0.3 -29,-0.1 -1,-0.1 0.726 68.0 44.8-106.2 -19.2 -1.9 -2.6 23.9 99 100 B S S > S- 0 0 50 1,-0.1 4,-1.9 -30,-0.0 3,-0.1 -0.815 75.7-122.1-107.2 162.4 -1.6 -3.4 20.2 100 101 B E H > S+ 0 0 109 -2,-0.3 4,-3.8 2,-0.2 5,-0.3 0.915 113.5 65.5 -55.8 -43.3 1.5 -4.1 18.2 101 102 B Q H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.850 105.0 41.6 -51.0 -40.8 0.3 -1.1 16.0 102 103 B E H > S+ 0 0 67 2,-0.2 4,-2.8 3,-0.1 -1,-0.2 0.914 114.0 51.0 -75.1 -46.3 0.8 1.3 19.0 103 104 B V H >X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 3,-0.5 0.990 111.6 49.2 -49.7 -58.5 4.1 -0.2 20.1 104 105 B L H 3X S+ 0 0 11 -4,-3.8 4,-3.1 1,-0.3 5,-0.2 0.909 113.1 45.7 -53.6 -46.9 5.4 0.1 16.6 105 106 B N H 3X S+ 0 0 61 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.3 0.855 112.1 52.1 -62.3 -35.6 4.3 3.7 16.3 106 107 B Y H < S+ 0 0 2 -4,-2.6 3,-2.0 1,-0.2 -1,-0.2 0.971 110.9 50.4 -59.1 -50.7 19.1 14.2 19.1 118 119 B N H 3< S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.641 104.9 58.3 -64.3 -19.4 22.3 12.5 17.8 119 120 B Q H 3< S+ 0 0 83 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.617 77.0 115.1 -82.0 -18.7 22.4 14.9 14.9 120 121 B K << - 0 0 2 -3,-2.0 2,-0.4 -4,-0.7 57,-0.1 -0.337 69.1-125.3 -58.5 131.7 22.6 17.9 17.2 121 122 B K - 0 0 119 52,-0.3 2,-0.3 1,-0.0 -1,-0.1 -0.653 16.6-130.1 -86.1 133.2 25.9 19.5 16.8 122 123 B L - 0 0 1 -2,-0.4 2,-0.6 1,-0.0 -109,-0.1 -0.586 13.1-132.3 -83.4 135.9 28.2 20.2 19.8 123 124 B Y - 0 0 28 -2,-0.3 2,-0.6 -111,-0.2 47,-0.1 -0.770 20.9-152.1 -81.7 124.9 29.7 23.6 20.3 124 125 B R + 0 0 89 -2,-0.6 46,-0.0 1,-0.1 -2,-0.0 -0.878 25.2 170.2-102.7 112.8 33.4 23.3 21.1 125 126 B G S S+ 0 0 63 -2,-0.6 -1,-0.1 2,-0.0 41,-0.0 0.577 83.4 25.6 -90.0 -9.5 35.0 26.0 23.3 126 127 B S 0 0 124 1,-0.1 -2,-0.1 0, 0.0 -1,-0.0 0.845 360.0 360.0-114.2 -65.7 38.3 24.0 23.7 127 128 B L 0 0 141 -90,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.153 360.0 360.0 35.6 360.0 39.3 21.4 20.9 128 !* 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 0.0 129 66 C N 0 0 220 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 95.0 22.0 44.5 28.7 130 67 C L - 0 0 66 1,-0.2 27,-0.0 2,-0.1 2,-0.0 -0.338 360.0 -70.0-116.9 171.9 24.8 42.7 26.8 131 68 C S > - 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0 0 12 -5,-1.7 2,-0.4 100,-0.0 -1,-0.2 -0.970 40.2-143.1-119.8 120.6 15.5 36.3 11.9 147 84 C R - 0 0 115 -2,-0.5 3,-0.0 -5,-0.0 -5,-0.0 -0.699 9.7-150.3 -82.2 129.1 14.0 35.8 15.3 148 85 C I - 0 0 27 -2,-0.4 5,-0.1 -10,-0.0 23,-0.0 -0.892 25.8-119.1 -94.1 120.3 16.4 34.2 17.8 149 86 C P >> - 0 0 2 0, 0.0 4,-1.1 0, 0.0 3,-0.9 -0.201 23.3-118.7 -53.8 155.0 14.3 32.2 20.3 150 87 C S H 3> S+ 0 0 44 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.727 107.5 67.9 -82.9 -10.4 14.8 33.5 23.7 151 88 C D H 3> S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.782 99.2 54.5 -66.5 -28.5 16.3 30.3 25.2 152 89 C I H <> S+ 0 0 0 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.972 104.6 51.8 -69.4 -50.7 19.3 30.9 22.9 153 90 C I H X S+ 0 0 49 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.928 110.4 51.2 -46.3 -53.0 19.7 34.4 24.3 154 91 C E H >X S+ 0 0 112 -4,-2.3 4,-1.4 1,-0.2 3,-0.8 0.973 111.4 44.4 -46.3 -65.0 19.7 32.8 27.8 155 92 C D H 3< S+ 0 0 31 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.759 110.1 59.7 -57.9 -24.9 22.4 30.2 26.9 156 93 C L H 3< S+ 0 0 0 -4,-2.6 3,-0.5 -3,-0.2 5,-0.4 0.897 98.8 53.7 -68.2 -45.5 24.3 32.9 25.3 157 94 C V H X< S+ 0 0 57 -4,-2.0 2,-1.8 -3,-0.8 3,-1.1 0.891 98.6 66.7 -62.1 -36.9 24.7 35.2 28.3 158 95 C N T 3< S+ 0 0 111 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.1 -0.215 102.1 45.9 -76.6 50.9 26.2 32.2 30.3 159 96 C Q T 3 S- 0 0 66 -2,-1.8 -1,-0.2 -3,-0.5 -2,-0.1 0.449 77.8-149.2-159.5 -2.4 29.4 32.0 28.2 160 97 C R < - 0 0 182 -3,-1.1 -3,-0.1 -4,-0.2 -2,-0.1 0.740 25.2-162.0 16.5 56.1 30.9 35.5 27.7 161 98 C L - 0 0 20 -5,-0.4 -27,-0.1 1,-0.1 -28,-0.1 -0.266 6.4-144.8 -55.8 149.4 32.3 34.4 24.3 162 99 C Q + 0 0 169 -29,-0.1 2,-0.2 -28,-0.0 -29,-0.1 0.923 67.6 42.7 -91.6 -49.6 35.1 36.8 23.1 163 100 C S S > S- 0 0 53 1,-0.1 4,-1.3 -30,-0.0 5,-0.0 -0.488 78.9-118.2 -88.0 168.3 35.1 37.4 19.3 164 101 C E H > S+ 0 0 101 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.909 113.4 63.7 -63.5 -47.5 32.1 37.9 17.1 165 102 C Q H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.845 103.6 45.8 -40.8 -47.4 33.1 34.7 15.2 166 103 C E H > S+ 0 0 60 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.903 111.6 51.9 -71.1 -45.2 32.5 32.6 18.4 167 104 C V H >X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 3,-0.6 0.993 112.6 44.4 -48.6 -65.6 29.2 34.3 19.1 168 105 C L H 3X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.3 -2,-0.2 0.840 114.5 52.2 -48.9 -38.7 27.9 33.6 15.6 169 106 C N H 3X S+ 0 0 60 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.3 0.886 111.1 44.6 -68.1 -38.3 29.3 30.1 15.9 170 107 C Y H - 0 0 29 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.229 48.8-117.5 -56.9 145.1 -4.4 26.0 33.3 196 69 D A H > S+ 0 0 83 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.899 114.6 48.4 -59.0 -43.8 -4.9 22.3 33.9 197 70 D C H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.932 109.1 53.4 -63.3 -43.4 -5.3 21.4 30.2 198 71 D E H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.969 112.8 45.6 -46.3 -60.9 -2.2 23.5 29.3 199 72 D V H X S+ 0 0 57 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.862 108.2 56.6 -48.0 -46.5 -0.4 21.4 31.9 200 73 D A H X S+ 0 0 39 -4,-2.9 4,-1.3 -5,-0.2 -1,-0.2 0.951 112.6 41.0 -55.0 -46.5 -2.0 18.1 30.6 201 74 D V H X S+ 0 0 1 -4,-2.7 4,-1.5 -3,-0.3 3,-0.2 0.922 109.4 58.2 -72.3 -42.2 -0.5 18.8 27.1 202 75 D L H >X S+ 0 0 29 -4,-2.8 4,-1.9 -5,-0.2 3,-0.7 0.915 104.6 52.5 -53.2 -41.3 2.8 20.1 28.4 203 76 D D H 3X S+ 0 0 78 -4,-2.4 4,-3.0 1,-0.3 5,-0.2 0.839 100.7 61.0 -70.1 -26.5 3.3 16.7 30.1 204 77 D L H 3X S+ 0 0 47 -4,-1.3 4,-0.9 -3,-0.2 -1,-0.3 0.886 105.4 49.2 -47.2 -43.9 2.6 15.0 26.8 205 78 D Y H <<>S+ 0 0 2 -4,-1.5 5,-1.9 -3,-0.7 4,-0.3 0.907 111.0 49.8 -77.5 -33.4 5.6 16.8 25.5 206 79 D E H ><5S+ 0 0 141 -4,-1.9 3,-2.5 1,-0.3 -2,-0.2 0.944 105.4 53.2 -68.9 -48.0 7.6 15.7 28.4 207 80 D Q H 3<5S+ 0 0 122 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.749 111.6 49.7 -56.3 -22.1 6.7 12.0 28.2 208 81 D S T 3<5S- 0 0 6 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.581 115.1-123.6 -90.1 4.5 7.9 12.4 24.7 209 82 D N T < 5 + 0 0 48 -3,-2.5 2,-0.5 -4,-0.3 -3,-0.2 0.908 61.1 144.0 59.1 47.7 11.2 14.1 25.9 210 83 D I < - 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0 0 2 -4,-0.8 2,-0.4 -3,-0.4 -266,-0.1 -0.257 69.5-124.7 -50.8 128.5 29.3 4.0 10.3 313 122 E K - 0 0 118 -268,-0.3 2,-0.5 1,-0.0 -1,-0.1 -0.625 15.8-129.2 -80.5 130.7 32.6 5.4 11.3 314 123 E L - 0 0 2 -2,-0.4 2,-0.4 1,-0.1 19,-0.1 -0.621 15.5-133.8 -81.4 123.5 35.3 3.1 12.9 315 124 E Y - 0 0 27 -2,-0.5 2,-0.7 17,-0.1 3,-0.2 -0.566 19.4-151.3 -70.3 127.7 36.8 4.2 16.2 316 125 E R + 0 0 87 -2,-0.4 -1,-0.0 1,-0.2 -274,-0.0 -0.869 35.2 156.9-112.2 114.4 40.6 3.8 16.1 317 126 E G S S+ 0 0 67 -2,-0.7 -1,-0.2 -284,-0.0 -2,-0.0 0.562 92.1 31.3 -95.0 -22.9 42.4 3.2 19.4 318 127 E S 0 0 90 -3,-0.2 -2,-0.1 0, 0.0 -3,-0.0 0.851 360.0 360.0 -93.1 -72.4 45.3 1.6 17.3 319 128 E L 0 0 137 -4,-0.1 38,-0.1 38,-0.0 -3,-0.0 0.890 360.0 360.0 45.2 360.0 45.4 3.4 13.7 320 !* 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 0.0 321 66 F N 0 0 213 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.9 38.7 -19.8 8.9 322 67 F L - 0 0 61 1,-0.1 27,-0.0 2,-0.0 0, 0.0 -0.880 360.0 -82.9-141.3 157.3 41.1 -16.8 8.7 323 68 F S > - 0 0 32 -2,-0.3 4,-2.7 1,-0.1 3,-0.5 -0.132 42.8-116.6 -54.0 144.8 44.6 -15.2 9.3 324 69 F A H > S+ 0 0 90 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.912 115.2 45.1 -58.5 -48.8 45.5 -13.9 12.8 325 70 F C H > S+ 0 0 24 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.761 111.6 55.1 -70.2 -22.8 45.9 -10.2 11.8 326 71 F E H > S+ 0 0 6 -3,-0.5 4,-2.3 2,-0.2 3,-0.4 0.974 108.5 46.9 -68.4 -56.1 42.6 -10.5 9.8 327 72 F V H X S+ 0 0 55 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.845 106.5 61.6 -54.0 -33.7 40.7 -11.8 12.9 328 73 F A H X S+ 0 0 35 -4,-1.9 4,-1.0 -5,-0.3 -1,-0.2 0.957 110.2 37.9 -55.6 -51.7 42.4 -8.9 14.8 329 74 F V H X S+ 0 0 2 -4,-1.5 4,-2.2 -3,-0.4 3,-0.5 0.924 110.8 57.2 -72.4 -46.7 40.7 -6.2 12.6 330 75 F L H X S+ 0 0 24 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.923 105.9 53.8 -48.2 -40.2 37.3 -7.9 12.2 331 76 F D H X S+ 0 0 77 -4,-1.8 4,-3.1 -5,-0.3 -1,-0.2 0.820 101.1 58.9 -73.3 -24.4 37.1 -8.0 16.0 332 77 F L H X S+ 0 0 31 -4,-1.0 4,-2.8 -3,-0.5 -1,-0.2 0.927 105.9 48.6 -54.4 -49.4 37.7 -4.2 16.0 333 78 F Y H <>S+ 0 0 1 -4,-2.2 5,-1.9 2,-0.2 -2,-0.2 0.929 110.6 51.5 -64.8 -39.2 34.6 -3.9 13.9 334 79 F E H ><5S+ 0 0 136 -4,-1.9 3,-4.1 2,-0.2 -2,-0.2 0.978 106.9 52.2 -56.4 -59.7 32.7 -6.1 16.3 335 80 F Q H 3<5S+ 0 0 133 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.920 112.2 46.6 -45.6 -45.3 33.8 -4.1 19.3 336 81 F S T 3<5S- 0 0 12 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.429 116.2-119.4 -78.0 12.5 32.5 -1.1 17.4 337 82 F N T < 5 + 0 0 56 -3,-4.1 2,-0.5 1,-0.2 -3,-0.2 0.953 61.4 148.4 51.0 54.2 29.2 -3.0 16.5 338 83 F I < - 0 0 10 -5,-1.9 2,-0.5 -6,-0.1 -1,-0.2 -0.979 42.6-141.0-119.6 128.4 29.7 -2.8 12.7 339 84 F R - 0 0 83 -2,-0.5 3,-0.0 -30,-0.1 -5,-0.0 -0.794 12.6-148.8 -83.5 127.2 28.6 -5.5 10.3 340 85 F I - 0 0 29 -2,-0.5 5,-0.1 -10,-0.0 -30,-0.0 -0.877 24.0-119.6 -92.5 121.6 31.1 -6.1 7.5 341 86 F P > - 0 0 2 0, 0.0 4,-1.2 0, 0.0 3,-0.4 -0.098 22.0-121.1 -55.7 163.9 29.2 -7.2 4.3 342 87 F S H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.799 106.9 66.1 -91.3 -15.0 30.2 -10.6 3.2 343 88 F D H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.792 101.5 53.3 -60.8 -32.8 31.4 -9.6 -0.2 344 89 F I H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.967 106.7 48.5 -72.6 -49.9 34.1 -7.7 1.6 345 90 F I H X S+ 0 0 47 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.895 111.4 54.1 -48.5 -50.9 35.2 -10.7 3.7 346 91 F E H >X S+ 0 0 108 -4,-2.4 4,-1.4 1,-0.2 3,-0.9 0.971 110.9 42.1 -45.4 -67.0 35.3 -12.7 0.4 347 92 F D H 3< S+ 0 0 44 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.847 110.8 61.1 -55.4 -32.0 37.5 -10.2 -1.4 348 93 F L H >< S+ 0 0 1 -4,-2.4 3,-0.7 1,-0.2 5,-0.5 0.851 100.8 50.7 -61.8 -41.3 39.6 -9.9 1.8 349 94 F V H X< S+ 0 0 49 -4,-1.7 2,-3.5 -3,-0.9 3,-1.8 0.987 100.4 62.6 -68.2 -55.7 40.6 -13.6 1.9 350 95 F N T 3< S+ 0 0 119 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.1 -0.061 103.2 53.8 -60.9 43.3 41.8 -13.6 -1.7 351 96 F Q T < S- 0 0 97 -2,-3.5 -1,-0.2 -3,-0.7 -2,-0.2 0.466 79.1-154.0-140.1 -13.3 44.5 -11.1 -0.8 352 97 F R < - 0 0 200 -3,-1.8 -3,-0.1 -4,-0.4 -2,-0.1 0.815 22.7-162.2 33.3 48.0 46.5 -12.5 2.2 353 98 F L - 0 0 37 -5,-0.5 -1,-0.1 1,-0.1 -28,-0.1 -0.252 8.4-143.5 -59.0 149.1 47.4 -9.0 3.4 354 99 F Q + 0 0 166 -29,-0.1 2,-0.2 -28,-0.0 -29,-0.1 0.865 69.3 37.4 -88.5 -40.6 50.4 -9.1 5.8 355 100 F S S > S- 0 0 47 1,-0.1 4,-1.5 -30,-0.0 5,-0.1 -0.635 77.4-118.1-101.8 167.0 49.9 -6.4 8.6 356 101 F E H > S+ 0 0 101 -2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.931 113.6 63.0 -65.0 -46.6 46.7 -5.2 10.4 357 102 F Q H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.857 105.7 45.1 -36.1 -46.7 47.3 -1.7 9.0 358 103 F E H > S+ 0 0 74 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.925 111.1 51.3 -76.0 -42.9 46.8 -3.1 5.5 359 104 F V H >X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 3,-0.7 0.948 110.9 48.8 -53.8 -56.0 43.8 -5.2 6.2 360 105 F L H 3X S+ 0 0 7 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.848 109.5 52.4 -53.1 -42.8 42.0 -2.3 7.8 361 106 F N H 3X S+ 0 0 82 -4,-1.6 4,-1.3 -5,-0.3 -1,-0.2 0.763 111.1 48.8 -62.2 -28.4 42.8 -0.0 4.8 362 107 F Y H < S+ 0 0 8 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.898 109.8 47.5 -68.3 -42.9 27.1 1.3 -4.4 374 119 F N H 3< S+ 0 0 5 -4,-3.1 -1,-0.2 1,-0.2 -67,-0.2 0.619 110.3 56.8 -72.0 -14.9 24.1 1.0 -2.1 375 120 F Q H 3< S+ 0 0 103 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.595 76.8 113.8 -85.6 -17.3 23.5 4.7 -2.7 376 121 F K S << S- 0 0 83 -3,-0.9 2,-0.5 -4,-0.5 -104,-0.0 -0.310 71.3-119.8 -64.9 145.5 23.2 4.5 -6.4 377 122 F K - 0 0 178 -105,-0.0 2,-0.1 1,-0.0 -1,-0.1 -0.801 19.7-129.8-101.4 124.9 19.7 5.3 -7.5 378 123 F L - 0 0 1 -2,-0.5 2,-0.8 1,-0.1 -109,-0.1 -0.400 8.8-137.3 -73.3 137.1 17.6 2.8 -9.3 379 124 F Y - 0 0 189 -111,-0.2 2,-0.6 -2,-0.1 -1,-0.1 -0.844 27.2-154.1 -87.9 109.4 15.8 3.8 -12.5 380 125 F R - 0 0 74 -2,-0.8 3,-0.0 1,-0.1 -2,-0.0 -0.728 31.2-177.7 -93.0 122.5 12.2 2.2 -12.3 381 126 F G S S+ 0 0 77 -2,-0.6 2,-0.2 1,-0.0 -1,-0.1 0.570 89.9 21.9 -75.0 -12.5 10.0 1.2 -15.2 382 127 F S 0 0 54 -3,-0.0 -1,-0.0 1,-0.0 0, 0.0 -0.918 360.0 360.0-142.8 164.6 7.5 0.3 -12.3 383 128 F L 0 0 131 -2,-0.2 -3,-0.0 -3,-0.0 -1,-0.0 0.139 360.0 360.0-173.7 360.0 6.9 1.2 -8.5