==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 10-SEP-09 3JSN . COMPND 2 MOLECULE: DNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR S.HAN,J.S.CHANG,M.GRIFFOR . 297 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 18.9 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 . 3 1.0 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 . 19 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 1 0 1 0 1 0 1 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 3 1 2 0 1 2 2 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 . 2 0 0 1 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 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 3 A D > 0 0 161 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 77.2 -1.0 48.7 -31.9 2 4 A L H > + 0 0 46 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.812 360.0 59.6 -66.3 -33.1 -3.9 47.0 -30.0 3 5 A S H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.953 110.0 41.1 -61.8 -49.1 -4.0 43.9 -32.1 4 6 A S H > S+ 0 0 73 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.909 117.6 48.5 -62.7 -42.4 -0.5 42.9 -31.4 5 7 A R H X S+ 0 0 68 -4,-2.1 4,-3.8 2,-0.2 5,-0.2 0.903 111.3 48.8 -68.5 -41.9 -0.8 43.9 -27.7 6 8 A V H X S+ 0 0 8 -4,-3.3 4,-2.9 2,-0.2 5,-0.2 0.947 113.9 46.9 -62.4 -44.4 -4.1 42.0 -27.2 7 9 A N H X S+ 0 0 103 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.932 114.9 47.6 -61.9 -44.7 -2.5 38.9 -28.8 8 10 A E H X S+ 0 0 99 -4,-2.9 4,-3.0 -5,-0.2 -2,-0.2 0.955 112.2 48.3 -57.6 -52.4 0.5 39.4 -26.6 9 11 A L H X S+ 0 0 0 -4,-3.8 4,-2.7 1,-0.2 5,-0.3 0.883 110.6 52.0 -57.5 -39.4 -1.6 39.9 -23.5 10 12 A H H X S+ 0 0 18 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.936 111.4 47.4 -64.2 -43.8 -3.6 36.7 -24.3 11 13 A D H X S+ 0 0 114 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.953 114.3 45.2 -62.1 -47.3 -0.4 34.7 -24.7 12 14 A L H X S+ 0 0 57 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.911 117.7 44.2 -61.4 -46.9 1.1 36.0 -21.5 13 15 A L H X S+ 0 0 1 -4,-2.7 4,-1.7 2,-0.2 3,-0.2 0.910 112.6 49.5 -65.7 -45.7 -2.2 35.5 -19.5 14 16 A N H X S+ 0 0 53 -4,-2.9 4,-2.5 1,-0.3 -1,-0.2 0.794 107.5 56.3 -68.2 -30.6 -3.0 32.0 -20.9 15 17 A Q H X S+ 0 0 110 -4,-1.7 4,-1.2 -5,-0.3 -1,-0.3 0.829 103.2 53.7 -65.9 -36.3 0.5 30.9 -20.1 16 18 A Y H X>S+ 0 0 64 -4,-1.2 5,-0.5 -3,-0.2 4,-0.5 0.928 111.0 48.2 -61.4 -38.1 -0.1 31.9 -16.5 17 19 A S H X5S+ 0 0 6 -4,-1.7 4,-0.6 1,-0.2 -2,-0.2 0.941 110.8 47.5 -68.1 -50.6 -3.1 29.7 -16.5 18 20 A Y H <5S+ 0 0 133 -4,-2.5 -1,-0.2 3,-0.1 -2,-0.2 0.672 115.0 55.3 -57.5 -23.5 -1.4 26.7 -18.1 19 21 A E H <5S+ 0 0 100 -4,-1.2 -2,-0.1 -3,-0.2 -3,-0.1 0.830 114.6 8.6 -76.9-102.5 1.4 27.1 -15.6 20 22 A Y H <5 0 0 200 -4,-0.5 -3,-0.1 1,-0.2 -2,-0.1 0.724 360.0 360.0 -55.2 -36.8 0.7 27.2 -11.8 21 23 A Y << 0 0 111 -4,-0.6 120,-0.3 -5,-0.5 -1,-0.2 0.679 360.0 360.0 -96.3 360.0 -2.9 26.2 -11.4 22 ! 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 23 33 A S > 0 0 109 0, 0.0 4,-1.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 24.3 1.4 39.9 -9.9 24 34 A E H > + 0 0 132 2,-0.2 4,-2.9 3,-0.1 3,-0.4 0.799 360.0 63.4 -48.9 -47.5 2.9 41.0 -13.2 25 35 A Y H > S+ 0 0 42 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.897 96.5 51.2 -48.6 -52.2 -0.3 38.9 -13.7 26 36 A D H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.892 112.8 44.0 -47.0 -52.6 -2.4 41.5 -11.9 27 37 A K H X S+ 0 0 166 -4,-1.0 4,-2.0 -3,-0.4 -2,-0.2 0.888 114.1 50.2 -69.1 -42.5 -1.1 44.4 -14.0 28 38 A L H X S+ 0 0 19 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.962 111.9 48.1 -56.8 -51.0 -1.4 42.4 -17.3 29 39 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.3 -2,-0.2 0.915 111.7 50.0 -58.6 -42.6 -5.0 41.4 -16.5 30 40 A H H X S+ 0 0 110 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.3 0.848 107.7 53.8 -68.5 -33.9 -5.9 44.9 -15.6 31 41 A E H X S+ 0 0 68 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.936 110.5 45.7 -64.6 -43.8 -4.4 46.2 -18.8 32 42 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.929 110.4 54.8 -67.6 -41.0 -6.5 43.8 -21.0 33 43 A I H X S+ 0 0 39 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.915 109.4 47.0 -53.3 -43.6 -9.6 44.6 -19.0 34 44 A K H X S+ 0 0 127 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.871 109.6 52.8 -72.8 -34.2 -9.1 48.3 -19.7 35 45 A I H X S+ 0 0 17 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.965 109.4 50.0 -59.2 -47.6 -8.5 47.6 -23.4 36 46 A E H < S+ 0 0 6 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.795 108.0 54.4 -64.7 -28.1 -11.8 45.6 -23.6 37 47 A E H < S+ 0 0 143 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.884 116.4 35.5 -71.2 -41.0 -13.7 48.5 -21.9 38 48 A E H < S+ 0 0 122 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.756 133.9 30.0 -80.9 -24.0 -12.5 51.0 -24.5 39 49 A H >< + 0 0 66 -4,-2.8 3,-2.1 -5,-0.2 -1,-0.2 -0.626 64.4 172.1-135.2 78.5 -12.7 48.4 -27.3 40 50 A P G > S+ 0 0 87 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.733 76.5 68.7 -62.8 -23.3 -15.4 45.9 -26.5 41 51 A E G 3 S+ 0 0 133 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.691 89.1 63.8 -66.2 -18.5 -14.9 44.4 -30.0 42 52 A Y G < S+ 0 0 70 -3,-2.1 2,-0.9 -7,-0.2 -1,-0.3 0.451 77.9 102.5 -85.6 -2.2 -11.4 43.1 -29.0 43 53 A K < - 0 0 105 -3,-1.6 2,-0.1 -7,-0.2 -10,-0.0 -0.730 59.4-164.1 -82.3 110.2 -13.0 40.8 -26.4 44 54 A T > - 0 0 62 -2,-0.9 3,-1.7 1,-0.1 -2,-0.1 -0.380 35.3-104.1 -86.7 171.2 -13.0 37.3 -27.9 45 55 A V T 3 S+ 0 0 94 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.904 124.4 45.7 -63.7 -36.5 -15.1 34.4 -26.6 46 56 A D T 3 S+ 0 0 18 3,-0.0 -1,-0.3 70,-0.0 98,-0.1 0.083 79.7 149.2 -91.1 29.9 -11.9 33.0 -25.0 47 57 A S X - 0 0 0 -3,-1.7 3,-1.4 1,-0.2 4,-0.1 -0.349 47.8-138.3 -62.9 134.8 -10.6 36.3 -23.5 48 58 A P G > S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.564 90.2 87.8 -72.0 -1.5 -8.7 35.6 -20.3 49 59 A T G > S+ 0 0 9 1,-0.3 3,-1.4 2,-0.2 4,-0.1 0.745 74.8 72.4 -69.1 -15.4 -10.3 38.6 -18.6 50 60 A V G X S+ 0 0 33 -3,-1.4 3,-2.2 1,-0.3 -1,-0.3 0.757 77.1 78.0 -68.6 -18.2 -13.1 36.2 -17.6 51 61 A R G < S+ 0 0 10 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.740 86.8 59.9 -61.1 -21.8 -10.7 34.6 -15.1 52 62 A V G < S- 0 0 48 -3,-1.4 -1,-0.3 1,-0.3 148,-0.2 0.609 114.1-116.6 -84.5 -2.6 -11.3 37.5 -12.8 53 63 A G < - 0 0 10 -3,-2.2 -1,-0.3 -4,-0.1 2,-0.3 -0.383 37.1-125.3 88.4 178.8 -15.0 36.7 -12.6 54 64 A G - 0 0 26 2,-0.3 143,-0.4 -2,-0.1 142,-0.4 -0.964 20.8 -93.1-158.4 174.6 -17.5 39.2 -13.9 55 65 A E S S+ 0 0 169 -2,-0.3 2,-0.3 141,-0.1 -1,-0.1 0.883 95.7 89.7 -61.2 -43.7 -20.5 41.4 -13.5 56 66 A A S S- 0 0 62 139,-0.1 140,-0.3 1,-0.1 2,-0.3 -0.417 74.7-141.9 -59.0 117.1 -22.8 38.7 -14.9 57 67 A Q - 0 0 117 -2,-0.3 138,-0.1 138,-0.1 137,-0.1 -0.651 27.8-108.7 -71.1 131.6 -24.1 36.5 -12.0 58 68 A A - 0 0 0 136,-0.5 74,-0.1 -2,-0.3 -1,-0.1 -0.321 26.8-131.3 -60.0 160.4 -24.3 32.8 -13.2 59 69 A S - 0 0 48 72,-0.2 73,-0.1 2,-0.1 -1,-0.1 0.904 6.4-147.1 -81.0 -39.5 -28.0 31.8 -13.6 60 70 A F + 0 0 25 71,-1.8 72,-0.1 1,-0.3 2,-0.1 0.720 42.8 163.2 60.5 25.5 -28.2 28.5 -11.7 61 71 A N - 0 0 102 70,-0.3 70,-2.4 69,-0.1 2,-0.5 -0.477 44.9-112.6 -60.1 149.0 -30.7 27.8 -14.4 62 72 A K E +A 130 0A 150 68,-0.2 2,-0.4 -3,-0.1 68,-0.2 -0.772 43.8 175.5 -88.6 125.5 -31.4 24.1 -14.6 63 73 A V E -A 129 0A 38 66,-2.5 66,-2.5 -2,-0.5 2,-0.3 -0.996 29.4-122.9-136.8 135.8 -30.1 22.7 -18.0 64 74 A N E -A 128 0A 101 -2,-0.4 64,-0.3 64,-0.2 63,-0.1 -0.562 32.0-114.8 -75.0 139.3 -30.0 19.1 -19.2 65 75 A H - 0 0 9 62,-2.4 -1,-0.1 -2,-0.3 58,-0.0 -0.430 25.1-116.8 -62.1 152.8 -26.6 17.8 -20.1 66 76 A D S S+ 0 0 92 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.0 0.930 109.7 17.4 -55.6 -45.4 -26.3 17.0 -23.9 67 77 A T S S- 0 0 55 -3,-0.0 -1,-0.3 146,-0.0 146,-0.0 -0.999 99.1-109.5-123.0 133.1 -25.8 13.4 -22.7 68 78 A P - 0 0 80 0, 0.0 59,-0.2 0, 0.0 3,-0.1 -0.263 40.6-110.6 -56.1 142.4 -26.8 12.3 -19.1 69 79 A M - 0 0 11 57,-2.8 40,-0.0 54,-0.2 -4,-0.0 -0.366 42.4 -86.7 -75.6 158.8 -23.8 11.6 -17.0 70 80 A L - 0 0 59 1,-0.1 2,-0.6 -2,-0.0 -1,-0.1 -0.251 29.1-148.6 -67.7 147.9 -23.0 8.1 -16.0 71 81 A S - 0 0 68 217,-0.3 2,-0.2 -3,-0.1 -1,-0.1 -0.917 23.4-151.3-119.7 105.8 -24.5 6.5 -12.9 72 82 A L - 0 0 49 -2,-0.6 222,-0.1 217,-0.1 219,-0.1 -0.509 8.5-130.2 -87.6 139.2 -22.1 4.0 -11.6 73 83 A G - 0 0 30 220,-0.5 222,-2.7 217,-0.4 2,-0.3 -0.314 33.0-121.0 -64.6 164.1 -22.8 0.8 -9.6 74 84 A N E -b 295 0B 82 220,-0.2 2,-0.4 222,-0.0 222,-0.2 -0.873 18.0-161.4-112.8 151.5 -20.7 0.3 -6.4 75 85 A A E +b 296 0B 0 220,-2.2 222,-2.7 -2,-0.3 3,-0.1 -0.952 8.3 178.6-123.4 145.0 -18.3 -2.3 -5.1 76 86 A F + 0 0 120 -2,-0.4 2,-0.3 220,-0.2 -1,-0.1 0.440 62.9 12.3-125.6 -9.4 -17.4 -2.6 -1.5 77 87 A N S > S- 0 0 70 1,-0.1 4,-1.6 221,-0.0 3,-0.3 -0.957 83.9 -85.6-161.9 176.9 -15.0 -5.5 -1.4 78 88 A E H > S+ 0 0 102 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.842 122.9 55.4 -62.1 -34.0 -12.8 -8.0 -3.3 79 89 A D H > S+ 0 0 96 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 104.1 53.1 -65.1 -42.3 -15.8 -10.2 -3.9 80 90 A D H > S+ 0 0 32 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.865 112.1 47.1 -58.5 -37.0 -17.8 -7.4 -5.5 81 91 A L H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.835 108.4 52.6 -78.2 -32.4 -14.9 -6.7 -7.9 82 92 A R H X S+ 0 0 94 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.859 111.0 48.3 -73.2 -31.1 -14.4 -10.4 -8.8 83 93 A K H X S+ 0 0 93 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.890 109.9 52.5 -69.6 -42.6 -18.1 -10.7 -9.8 84 94 A F H X S+ 0 0 2 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.952 114.4 42.7 -55.9 -50.3 -17.9 -7.5 -11.8 85 95 A D H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.812 111.8 53.3 -73.3 -32.5 -14.9 -8.8 -13.7 86 96 A Q H X S+ 0 0 91 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.896 106.7 52.4 -66.0 -44.4 -16.4 -12.3 -14.1 87 97 A R H X S+ 0 0 107 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.921 114.2 45.1 -52.9 -46.7 -19.6 -10.8 -15.7 88 98 A I H X>S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 5,-0.6 0.937 113.4 47.4 -61.2 -51.6 -17.3 -9.0 -18.1 89 99 A R H X5S+ 0 0 115 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.906 112.8 49.2 -66.1 -40.5 -15.1 -11.9 -18.9 90 100 A E H <5S+ 0 0 140 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.920 116.0 43.4 -62.2 -39.6 -18.0 -14.2 -19.5 91 101 A Q H <5S+ 0 0 84 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.1 0.951 138.5 0.5 -72.3 -50.1 -19.8 -11.8 -21.8 92 102 A I H <5S- 0 0 25 -4,-2.5 -3,-0.2 1,-0.3 2,-0.2 0.349 93.2-130.1-130.1 4.6 -17.0 -10.5 -24.0 93 103 A G << + 0 0 29 -4,-1.6 -1,-0.3 -5,-0.6 -2,-0.1 -0.491 66.0 19.5 82.0-148.3 -13.7 -12.3 -22.9 94 104 A N + 0 0 116 -2,-0.2 2,-0.3 -4,-0.1 151,-0.1 -0.272 65.2 166.5 -70.0 137.2 -10.3 -10.7 -22.1 95 105 A V - 0 0 3 149,-0.2 2,-0.3 -10,-0.0 179,-0.0 -0.874 29.0-135.6-139.8 161.8 -10.3 -7.0 -21.2 96 106 A E - 0 0 46 -2,-0.3 179,-2.7 149,-0.1 2,-0.4 -0.841 26.8-133.8-111.7 166.2 -7.8 -4.6 -19.7 97 107 A Y E -CD 243 274B 0 146,-2.6 146,-3.2 -2,-0.3 2,-0.5 -0.947 5.6-145.5-122.1 140.1 -8.9 -2.1 -17.0 98 108 A M E -CD 242 273B 0 175,-3.0 175,-2.3 -2,-0.4 2,-0.4 -0.951 21.6-163.9 -95.4 129.7 -8.4 1.6 -16.4 99 109 A C E +CD 241 272B 0 142,-2.6 142,-2.5 -2,-0.5 2,-0.3 -0.905 14.1 168.6-114.0 138.4 -8.2 2.4 -12.7 100 110 A E E - D 0 271B 17 171,-1.9 171,-2.8 -2,-0.4 2,-0.3 -0.988 37.6-103.3-148.0 157.3 -8.5 6.0 -11.4 101 111 A L E - D 0 270B 10 -2,-0.3 2,-0.9 169,-0.2 169,-0.3 -0.577 30.9-132.2 -81.0 136.2 -8.9 7.8 -8.2 102 112 A K E - D 0 269B 48 167,-3.1 166,-2.2 -2,-0.3 167,-0.9 -0.814 26.3-139.4 -90.4 108.2 -12.5 9.1 -7.6 103 113 A I E - D 0 267B 9 -2,-0.9 2,-1.5 164,-0.2 164,-0.3 -0.467 5.1-132.7 -69.1 136.8 -11.9 12.8 -6.6 104 114 A D + 0 0 26 162,-2.4 162,-0.3 -2,-0.2 2,-0.2 -0.628 69.1 95.6 -85.9 84.8 -14.1 14.1 -3.7 105 115 A G S S- 0 0 1 -2,-1.5 2,-0.7 54,-0.1 54,-0.2 -0.633 85.8 -53.7-143.9-156.8 -15.2 17.4 -5.3 106 116 A L E -F 158 0C 26 52,-2.8 52,-3.2 -2,-0.2 2,-0.2 -0.875 52.2-139.4 -92.1 112.7 -18.0 19.0 -7.3 107 117 A A E +F 157 0C 16 -2,-0.7 16,-2.1 50,-0.3 17,-0.3 -0.525 32.3 170.7 -68.9 135.4 -18.7 16.9 -10.4 108 118 A V E -FG 156 122C 0 48,-2.4 48,-2.4 14,-0.3 2,-0.4 -0.954 29.3-138.6-139.7 161.0 -19.2 19.2 -13.5 109 119 A S E -FG 155 121C 1 12,-2.4 12,-2.4 -2,-0.3 2,-0.6 -0.994 15.8-154.4-124.7 134.6 -19.6 18.9 -17.3 110 120 A L E -FG 154 120C 0 44,-3.1 44,-3.0 -2,-0.4 2,-0.5 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145.1 -11.2 11.5 -30.7 218 228 A N + 0 0 128 -2,-0.3 -1,-0.1 6,-0.1 7,-0.1 0.688 65.4 119.0 -74.5 -18.6 -8.5 9.3 -32.2 219 229 A A - 0 0 10 1,-0.1 -2,-0.1 5,-0.1 3,-0.1 -0.126 42.8-175.2 -52.9 138.4 -8.5 7.3 -28.9 220 230 A R S S+ 0 0 180 1,-0.1 57,-2.3 57,-0.1 58,-0.5 0.421 70.3 35.6-107.8 -7.6 -9.4 3.6 -28.9 221 231 A S B > S-K 276 0D 18 55,-0.3 4,-2.3 56,-0.1 55,-0.3 -0.940 83.5-109.5-141.7 165.2 -9.3 3.1 -25.1 222 232 A Q H > S+ 0 0 2 53,-3.1 4,-2.3 -2,-0.3 5,-0.2 0.931 119.3 49.9 -61.0 -43.0 -10.1 5.0 -21.9 223 233 A S H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.946 112.4 47.5 -64.3 -42.7 -6.3 5.4 -21.1 224 234 A E H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 109.2 53.5 -65.9 -35.6 -5.6 6.7 -24.5 225 235 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.894 105.7 54.0 -68.0 -34.3 -8.5 9.1 -24.3 226 236 A L H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.931 108.1 48.7 -66.8 -37.8 -7.2 10.5 -21.1 227 237 A D H X S+ 0 0 86 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.892 110.4 52.7 -61.1 -40.6 -3.8 11.2 -22.8 228 238 A E H X S+ 0 0 30 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.887 105.6 53.7 -62.1 -40.5 -5.7 12.9 -25.7 229 239 A L H X>S+ 0 0 1 -4,-2.3 5,-2.3 2,-0.2 4,-0.7 0.931 107.5 51.5 -60.5 -44.0 -7.5 15.1 -23.2 230 240 A D H ><5S+ 0 0 31 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.955 110.0 48.6 -55.5 -50.5 -4.1 16.2 -21.8 231 241 A K H 3<5S+ 0 0 162 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.857 106.0 58.3 -58.3 -38.5 -2.9 17.0 -25.4 232 242 A L H 3<5S- 0 0 8 -4,-2.3 -85,-1.8 -5,-0.1 -1,-0.3 0.612 129.4 -91.7 -69.6 -10.5 -6.1 19.1 -26.0 233 243 A G T <<5S+ 0 0 11 -3,-1.3 -3,-0.2 -4,-0.7 2,-0.2 0.459 81.6 129.7 118.6 -0.3 -5.3 21.3 -23.1 234 244 A F < - 0 0 6 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.3 -0.484 56.4-119.6 -93.6 162.9 -7.1 19.7 -20.0 235 245 A T + 0 0 46 -94,-0.5 -27,-2.9 -2,-0.2 2,-0.3 -0.849 37.0 176.7 -98.6 117.3 -5.8 18.8 -16.6 236 246 A T - 0 0 5 -2,-0.6 2,-0.6 -29,-0.2 -27,-0.1 -0.779 33.9-106.3-119.0 169.5 -6.1 15.1 -15.8 237 247 A N > - 0 0 18 -29,-0.4 3,-1.1 -2,-0.3 -136,-0.1 -0.840 20.5-159.7-102.1 123.8 -5.0 13.1 -12.8 238 248 A K T 3 S+ 0 0 123 -2,-0.6 -1,-0.1 1,-0.3 -138,-0.0 0.404 76.8 88.2 -91.3 7.3 -1.9 11.0 -13.4 239 249 A N T 3 + 0 0 50 -138,-0.1 -1,-0.3 2,-0.0 -140,-0.0 0.567 68.2 109.4 -72.7 -0.5 -2.5 8.6 -10.5 240 250 A R < - 0 0 33 -3,-1.1 2,-0.3 -140,-0.1 -140,-0.2 -0.322 51.6-171.0 -68.4 156.2 -4.6 6.7 -13.1 241 251 A A E -C 99 0B 35 -142,-2.5 -142,-2.6 2,-0.0 2,-0.5 -0.967 23.2-136.1-150.3 136.7 -3.2 3.3 -14.3 242 252 A R E -C 98 0B 131 -2,-0.3 2,-0.3 -144,-0.2 -144,-0.2 -0.778 31.5-172.8 -84.9 129.2 -4.1 0.8 -17.0 243 253 A V E -C 97 0B 19 -146,-3.2 -146,-2.6 -2,-0.5 32,-0.1 -0.835 27.8-130.3-124.0 163.5 -3.8 -2.7 -15.6 244 254 A N S S- 0 0 95 -2,-0.3 2,-0.3 -148,-0.2 -149,-0.2 0.708 76.6 -13.5 -86.2 -23.1 -4.1 -6.1 -17.3 245 255 A N S > S- 0 0 78 -148,-0.1 4,-1.5 -149,-0.1 3,-0.3 -0.935 81.1 -72.9-166.0-176.7 -6.6 -7.9 -15.2 246 256 A I H > S+ 0 0 10 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.813 124.0 58.7 -70.5 -30.3 -8.5 -8.0 -11.9 247 257 A D H > S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.909 106.4 50.5 -60.6 -39.3 -5.4 -9.0 -9.9 248 258 A G H > S+ 0 0 8 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.858 109.1 50.6 -65.2 -39.1 -4.0 -5.7 -11.2 249 259 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.942 110.4 49.4 -57.8 -50.4 -7.1 -3.8 -10.1 250 260 A L H X S+ 0 0 20 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.858 110.6 50.0 -61.5 -39.1 -6.9 -5.4 -6.6 251 261 A E H X S+ 0 0 146 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.843 109.7 50.8 -68.8 -33.8 -3.3 -4.4 -6.3 252 262 A Y H X S+ 0 0 15 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.932 110.9 49.5 -66.8 -41.9 -4.0 -0.8 -7.4 253 263 A I H X S+ 0 0 9 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.915 108.4 53.0 -60.8 -43.9 -6.8 -0.6 -4.8 254 264 A E H X S+ 0 0 146 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.948 111.2 46.7 -57.7 -51.7 -4.4 -2.0 -2.0 255 265 A K H X S+ 0 0 112 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.960 117.5 41.0 -55.2 -52.9 -1.9 0.6 -2.8 256 266 A W H < S+ 0 0 16 -4,-2.6 3,-0.4 1,-0.2 4,-0.3 0.852 102.3 68.4 -73.7 -30.1 -4.3 3.6 -2.9 257 267 A T H >< S+ 0 0 40 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.908 104.5 42.8 -48.6 -58.6 -6.4 2.6 0.1 258 268 A S H 3< S+ 0 0 111 -4,-1.2 3,-0.4 1,-0.2 -1,-0.3 0.723 116.7 50.7 -59.9 -25.8 -3.6 3.2 2.5 259 269 A Q T >< S+ 0 0 78 -4,-0.8 3,-1.8 -3,-0.4 4,-0.3 0.355 73.9 109.0 -95.8 11.3 -2.7 6.4 0.7 260 270 A R T < S+ 0 0 99 -3,-1.4 7,-0.6 -4,-0.3 3,-0.2 0.653 82.5 43.6 -71.5 -14.6 -6.2 8.0 0.6 261 271 A E T 3 S+ 0 0 130 -3,-0.4 -1,-0.3 -4,-0.1 -2,-0.1 0.443 99.0 76.9 -94.0 -9.8 -5.4 10.7 3.1 262 272 A S S < S+ 0 0 73 -3,-1.8 -2,-0.1 -4,-0.0 -1,-0.1 0.473 72.3 85.8 -89.2 -0.9 -2.0 11.6 1.6 263 273 A L S S- 0 0 20 2,-0.3 -101,-0.1 -4,-0.3 4,-0.0 -0.531 87.2-107.6-100.5 172.0 -2.8 13.7 -1.5 264 274 A P S S+ 0 0 82 0, 0.0 -102,-3.0 0, 0.0 -101,-0.4 0.642 105.8 40.4 -71.9 -11.0 -3.4 17.3 -1.7 265 275 A Y S S- 0 0 15 -104,-0.2 -2,-0.3 -103,-0.1 2,-0.2 -0.868 91.6-105.2-128.8 155.8 -7.2 16.7 -2.4 266 276 A D - 0 0 30 -162,-0.3 -162,-2.4 -2,-0.3 2,-0.3 -0.556 30.5-162.7 -80.2 158.3 -9.6 14.1 -0.8 267 277 A I E -D 103 0B 15 -7,-0.6 -164,-0.2 -164,-0.3 3,-0.1 -0.945 13.6-160.6-135.9 150.0 -10.8 11.0 -2.7 268 278 A D E - 0 0 44 -166,-2.2 30,-1.4 -2,-0.3 2,-0.3 0.561 65.5 -43.3-114.9 -2.2 -13.8 8.8 -2.0 269 279 A G E -DE 102 297B 0 -167,-0.9 -167,-3.1 28,-0.2 2,-0.4 -0.958 64.4 -76.5 177.5-150.3 -12.9 5.6 -3.9 270 280 A I E -DE 101 296B 0 26,-2.3 26,-3.0 -2,-0.3 2,-0.5 -0.982 29.7-144.8-136.0 134.9 -11.5 4.3 -7.1 271 281 A V E -DE 100 295B 15 -171,-2.8 -171,-1.9 -2,-0.4 2,-0.4 -0.898 14.5-164.8-103.3 133.0 -13.4 4.0 -10.5 272 282 A I E +DE 99 294B 0 22,-2.6 22,-2.0 -2,-0.5 2,-0.4 -0.975 10.6 178.1-117.6 128.5 -12.5 0.9 -12.6 273 283 A K E -DE 98 293B 7 -175,-2.3 -175,-3.0 -2,-0.4 20,-0.2 -0.998 40.3-103.6-128.4 141.6 -13.6 0.8 -16.3 274 284 A V E -D 97 0B 0 18,-2.6 -177,-0.2 -2,-0.4 -52,-0.2 -0.399 39.8-143.5 -46.9 126.1 -13.1 -1.6 -19.2 275 285 A N S S+ 0 0 3 -179,-2.7 -53,-3.1 -32,-0.1 2,-0.2 0.955 73.7 76.4 -72.9 -52.8 -10.3 0.1 -21.1 276 286 A D B > S-K 221 0D 45 -180,-0.3 4,-1.7 -55,-0.3 -55,-0.3 -0.430 71.5-145.2 -63.6 129.4 -11.1 -0.6 -24.8 277 287 A L H > S+ 0 0 16 -57,-2.3 4,-1.8 1,-0.2 5,-0.2 0.882 97.7 54.1 -69.8 -37.6 -13.9 1.7 -26.0 278 288 A D H > S+ 0 0 109 -58,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.898 108.1 52.4 -58.8 -39.3 -15.4 -0.9 -28.4 279 289 A Q H > S+ 0 0 29 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.843 104.9 53.7 -67.9 -35.5 -15.6 -3.3 -25.4 280 290 A Q H X S+ 0 0 9 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.894 111.6 46.8 -55.4 -44.9 -17.4 -0.7 -23.3 281 291 A D H < S+ 0 0 127 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.944 110.9 52.9 -68.3 -42.1 -20.0 -0.4 -26.1 282 292 A E H < S+ 0 0 112 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.847 105.4 53.1 -59.6 -34.4 -20.1 -4.1 -26.3 283 293 A M H < S- 0 0 3 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.854 91.1-174.8 -79.9 -32.5 -20.9 -4.6 -22.6 284 294 A G < - 0 0 23 -4,-1.6 7,-2.5 -3,-0.1 8,-0.4 -0.208 23.1 -62.9 82.6-166.9 -23.8 -2.2 -22.6 285 295 A F E -L 290 0E 119 5,-0.3 2,-0.3 6,-0.1 -4,-0.0 -0.883 31.3-163.8-124.1 152.7 -26.0 -0.9 -19.7 286 296 A T E > S-L 289 0E 63 3,-2.8 3,-1.2 -2,-0.3 -2,-0.0 -0.986 80.1 -5.0-135.4 128.0 -28.3 -2.6 -17.2 287 297 A Q T 3 S- 0 0 177 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 0.820 130.3 -59.0 54.8 34.9 -30.9 -0.6 -15.1 288 298 A K T 3 S+ 0 0 184 1,-0.2 -217,-0.3 -218,-0.0 -1,-0.3 0.720 118.5 103.9 72.5 26.1 -29.5 2.6 -16.6 289 299 A S E < S-L 286 0E 28 -3,-1.2 -3,-2.8 -219,-0.1 -1,-0.2 -0.987 77.9-101.5-139.6 143.3 -25.9 2.0 -15.3 290 300 A P E > -L 285 0E 5 0, 0.0 3,-0.6 0, 0.0 -217,-0.4 -0.384 15.7-153.5 -69.8 137.6 -22.9 0.7 -17.3 291 301 A R T 3 S+ 0 0 55 -7,-2.5 -6,-0.1 -11,-0.2 -203,-0.1 0.446 94.3 58.0 -83.2 -8.0 -21.9 -3.0 -17.0 292 302 A W T 3 S+ 0 0 21 -8,-0.4 -18,-2.6 -12,-0.1 2,-0.3 0.257 102.5 54.3-106.6 7.9 -18.3 -2.1 -17.9 293 303 A A E < + E 0 273B 3 -3,-0.6 -220,-0.5 -20,-0.2 2,-0.3 -0.980 56.3 173.9-140.4 152.9 -17.6 0.5 -15.1 294 304 A I E - E 0 272B 11 -22,-2.0 -22,-2.6 -2,-0.3 2,-0.6 -0.969 26.4-131.9-158.0 144.9 -17.9 0.4 -11.3 295 305 A A E -bE 74 271B 0 -222,-2.7 -220,-2.2 -2,-0.3 2,-0.5 -0.912 17.7-150.4-101.5 113.5 -17.0 2.6 -8.4 296 306 A Y E -bE 75 270B 33 -26,-3.0 -26,-2.3 -2,-0.6 2,-0.4 -0.763 15.0-149.8 -80.8 122.8 -15.1 0.9 -5.5 297 307 A K E E 0 269B 39 -222,-2.7 -28,-0.2 -2,-0.5 -29,-0.0 -0.828 360.0 360.0-100.5 130.3 -15.9 2.7 -2.2 298 308 A F 0 0 75 -30,-1.4 -221,-0.0 -2,-0.4 -1,-0.0 -0.424 360.0 360.0 -67.2 360.0 -13.3 2.8 0.6