==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 14-MAR-03 1ORN . COMPND 2 MOLECULE: 5'-D(*AP*AP*GP*AP*CP*GP*TP*GP*GP*AP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.C.FROMME,G.L.VERDINE . 214 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10409.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 68.7 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 . 8 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 48.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 2 0 0 1 2 1 0 3 0 0 0 1 0 0 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 1 A M 0 0 115 0, 0.0 150,-0.2 0, 0.0 149,-0.1 0.000 360.0 360.0 360.0 152.1 42.9 57.2 -1.1 2 2 A L - 0 0 27 148,-2.3 2,-0.1 150,-0.1 148,-0.1 -0.152 360.0-107.8 -63.6 160.6 46.7 57.5 -1.7 3 3 A T > - 0 0 67 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.471 31.7-107.2 -84.1 163.5 48.1 58.0 -5.1 4 4 A K H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.931 122.0 53.8 -56.6 -46.2 49.9 55.1 -6.9 5 5 A Q H > S+ 0 0 140 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.876 109.8 47.7 -56.4 -40.0 53.2 56.9 -6.3 6 6 A Q H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 109.1 52.0 -69.0 -43.1 52.5 57.1 -2.6 7 7 A I H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.907 109.6 50.1 -60.7 -40.9 51.4 53.5 -2.2 8 8 A R H X S+ 0 0 80 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.834 108.5 54.0 -65.7 -30.5 54.7 52.4 -3.9 9 9 A Y H X S+ 0 0 108 -4,-1.2 4,-1.6 -5,-0.2 -2,-0.2 0.896 107.9 49.6 -68.1 -41.9 56.5 54.7 -1.4 10 10 A C H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.909 111.7 47.6 -63.2 -45.2 54.8 52.9 1.5 11 11 A L H X S+ 0 0 15 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.857 108.3 55.5 -65.7 -36.3 55.7 49.5 0.1 12 12 A D H X S+ 0 0 57 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.861 109.3 47.7 -64.5 -35.6 59.3 50.6 -0.4 13 13 A E H X S+ 0 0 46 -4,-1.6 4,-1.9 2,-0.2 3,-0.4 0.897 106.5 55.2 -72.8 -41.9 59.5 51.6 3.2 14 14 A M H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.3 -1,-0.2 0.845 105.2 55.9 -58.9 -33.1 58.0 48.4 4.5 15 15 A A H < S+ 0 0 17 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.861 107.2 48.1 -67.1 -36.2 60.8 46.6 2.6 16 16 A K H < S+ 0 0 114 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.805 114.6 46.1 -73.7 -30.1 63.4 48.7 4.5 17 17 A M H < S+ 0 0 52 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.846 128.0 24.5 -80.6 -36.4 61.8 47.9 7.8 18 18 A F >< + 0 0 36 -4,-2.5 3,-1.4 -5,-0.2 -1,-0.2 -0.570 66.8 156.5-130.3 69.0 61.3 44.1 7.1 19 19 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.712 78.5 49.1 -66.2 -20.3 63.9 43.1 4.6 20 20 A D T 3 S+ 0 0 54 -3,-0.1 -5,-0.1 160,-0.1 -2,-0.0 0.144 76.2 147.8-107.4 20.6 63.8 39.5 5.7 21 21 A A < + 0 0 7 -3,-1.4 2,-0.3 -6,-0.1 159,-0.2 -0.295 19.2 151.1 -58.5 134.1 60.0 39.0 5.7 22 22 A H - 0 0 100 157,-0.2 2,-0.5 158,-0.1 -2,-0.0 -0.907 53.9 -68.5-152.7 176.7 59.0 35.4 4.9 23 23 A C - 0 0 29 -2,-0.3 156,-0.0 1,-0.1 102,-0.0 -0.646 40.7-161.4 -74.3 125.6 56.3 32.8 5.4 24 24 A E + 0 0 53 -2,-0.5 2,-0.5 2,-0.1 -1,-0.1 0.390 54.1 109.0 -92.7 4.8 56.6 31.8 9.1 25 25 A L S S- 0 0 12 1,-0.0 2,-0.4 23,-0.0 -2,-0.1 -0.710 70.7-126.8 -84.5 125.5 54.7 28.5 8.9 26 26 A V + 0 0 94 -2,-0.5 2,-0.3 19,-0.2 -2,-0.1 -0.564 46.7 144.9 -75.1 126.2 57.1 25.5 9.3 27 27 A H - 0 0 59 -2,-0.4 22,-0.0 1,-0.1 -2,-0.0 -0.984 40.4-159.2-158.6 153.6 56.8 23.0 6.5 28 28 A R S S+ 0 0 154 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.546 79.5 10.6-112.3 -13.6 59.0 20.6 4.5 29 29 A N S > S- 0 0 62 1,-0.0 4,-2.2 0, 0.0 -1,-0.2 -0.956 84.5 -90.7-156.4 170.1 56.9 20.1 1.4 30 30 A P H > S+ 0 0 46 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.806 121.1 53.6 -56.9 -35.1 53.7 21.4 -0.5 31 31 A F H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.923 110.0 46.4 -68.6 -45.0 51.4 19.0 1.3 32 32 A E H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 112.6 52.0 -64.4 -36.0 52.6 20.0 4.7 33 33 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.950 107.8 51.5 -64.6 -47.3 52.3 23.7 3.6 34 34 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.928 112.8 44.4 -55.0 -49.0 48.7 23.1 2.5 35 35 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.938 113.6 51.4 -62.2 -45.3 47.7 21.5 5.8 36 36 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.896 110.5 47.1 -58.9 -42.6 49.5 24.2 7.8 37 37 A V H X S+ 0 0 0 -4,-2.8 4,-0.6 2,-0.2 -1,-0.2 0.883 109.8 53.5 -69.8 -36.6 47.8 27.1 5.9 38 38 A V H >< S+ 0 0 3 -4,-2.1 3,-1.0 -5,-0.3 -1,-0.2 0.931 112.1 45.3 -62.2 -43.1 44.4 25.6 6.2 39 39 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.797 102.1 70.2 -68.3 -28.4 45.0 25.3 10.0 40 40 A S H >< + 0 0 14 -4,-1.5 3,-1.9 -5,-0.2 -1,-0.2 0.641 67.2 115.0 -64.3 -20.1 46.3 28.9 10.0 41 41 A A T << S- 0 0 35 -3,-1.0 3,-0.1 -4,-0.6 -3,-0.0 -0.381 97.9 -9.6 -59.5 120.5 42.9 30.5 9.3 42 42 A Q T 3 S+ 0 0 174 -2,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.829 120.0 100.0 59.6 34.9 42.0 32.6 12.4 43 43 A C S < S- 0 0 29 -3,-1.9 -1,-0.2 38,-0.0 2,-0.2 -0.975 76.2-103.4-146.0 154.4 44.9 31.1 14.4 44 44 A T > - 0 0 84 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.524 23.3-127.1 -81.2 148.0 48.4 32.3 15.3 45 45 A D H > S+ 0 0 25 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.914 109.0 60.1 -57.6 -43.9 51.5 31.0 13.5 46 46 A A H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.905 108.3 42.7 -51.5 -47.9 53.1 30.1 16.8 47 47 A L H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.846 112.9 52.6 -70.3 -34.4 50.2 27.8 17.7 48 48 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.938 111.3 46.9 -66.5 -44.4 50.1 26.2 14.2 49 49 A N H X S+ 0 0 37 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.860 110.6 51.9 -65.5 -36.1 53.8 25.4 14.3 50 50 A K H X S+ 0 0 54 -4,-1.9 4,-0.7 -5,-0.3 -1,-0.2 0.913 115.5 42.7 -66.5 -40.7 53.6 24.0 17.8 51 51 A V H >X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 3,-0.8 0.938 113.2 48.4 -71.2 -49.2 50.7 21.7 16.7 52 52 A T H 3X S+ 0 0 4 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.751 93.9 79.3 -66.0 -20.5 52.1 20.6 13.3 53 53 A K H 3< S+ 0 0 86 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.950 112.7 20.7 -49.1 -52.0 55.4 19.8 15.0 54 54 A R H XX S+ 0 0 140 -3,-0.8 4,-1.7 -4,-0.7 3,-1.4 0.813 119.9 63.4 -87.0 -33.1 53.8 16.6 16.2 55 55 A L H 3X S+ 0 0 5 -4,-2.3 4,-2.8 1,-0.3 -3,-0.2 0.907 100.9 52.0 -58.6 -43.5 51.0 16.4 13.6 56 56 A F H 3< S+ 0 0 7 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.1 0.517 107.5 53.4 -74.2 -3.2 53.5 16.1 10.7 57 57 A E H <4 S+ 0 0 100 -3,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.764 114.4 40.4 -95.2 -33.5 55.2 13.2 12.5 58 58 A K H < S+ 0 0 91 -4,-1.7 2,-0.4 1,-0.2 -2,-0.2 0.872 124.2 36.4 -79.9 -40.9 52.0 11.3 12.9 59 59 A Y < + 0 0 3 -4,-2.8 -1,-0.2 -5,-0.2 0, 0.0 -0.959 55.8 156.0-117.6 131.0 50.5 12.1 9.5 60 60 A R + 0 0 160 -2,-0.4 -1,-0.1 1,-0.2 -28,-0.1 0.545 65.0 31.5-126.5 -17.7 52.7 12.4 6.4 61 61 A T S >> S- 0 0 54 -30,-0.1 3,-1.2 1,-0.0 4,-1.1 -0.913 84.6-103.2-139.0 164.3 50.4 11.7 3.4 62 62 A P H 3> S+ 0 0 10 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.804 118.4 61.9 -60.4 -26.0 46.7 12.2 2.6 63 63 A H H 3> S+ 0 0 99 1,-0.2 4,-0.5 2,-0.2 32,-0.0 0.807 98.2 56.7 -69.3 -28.6 46.1 8.5 3.3 64 64 A D H X4 S+ 0 0 50 -3,-1.2 3,-0.5 1,-0.2 4,-0.5 0.896 105.7 49.8 -69.4 -39.5 47.2 8.9 6.9 65 65 A Y H 3< S+ 0 0 2 -4,-1.1 3,-0.5 1,-0.2 -2,-0.2 0.851 113.6 44.2 -68.2 -36.0 44.6 11.6 7.5 66 66 A I H 3< S+ 0 0 74 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.487 102.3 69.2 -88.0 -2.4 41.7 9.7 6.1 67 67 A A S << S+ 0 0 82 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.604 90.9 69.0 -89.7 -13.8 42.7 6.4 7.8 68 68 A V S S- 0 0 27 -3,-0.5 2,-0.0 -4,-0.5 5,-0.0 -0.686 94.9 -94.8-104.3 158.1 41.9 7.7 11.3 69 69 A P >> - 0 0 71 0, 0.0 4,-1.6 0, 0.0 3,-1.0 -0.401 34.3-117.9 -67.8 149.7 38.4 8.4 12.8 70 70 A L H 3> S+ 0 0 47 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.896 114.8 58.4 -53.8 -41.8 37.3 12.0 12.5 71 71 A E H 3> S+ 0 0 121 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.813 103.9 52.3 -58.7 -32.9 37.2 12.2 16.4 72 72 A E H <> S+ 0 0 76 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.917 109.8 45.8 -71.7 -45.0 40.9 11.2 16.6 73 73 A L H X S+ 0 0 0 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.880 107.0 61.2 -65.7 -36.4 42.1 13.9 14.1 74 74 A E H >< S+ 0 0 32 -4,-2.4 3,-0.5 1,-0.2 4,-0.3 0.925 106.5 45.0 -55.1 -46.6 39.9 16.4 16.0 75 75 A Q H >< S+ 0 0 113 -4,-1.4 3,-1.0 1,-0.2 4,-0.3 0.884 106.5 60.1 -65.9 -38.1 41.9 15.9 19.2 76 76 A D H 3< S+ 0 0 43 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.762 119.4 27.9 -61.7 -26.6 45.2 16.0 17.4 77 77 A I T XX S+ 0 0 0 -4,-1.4 3,-2.1 -3,-0.5 4,-0.6 0.184 84.8 117.9-119.4 14.6 44.5 19.6 16.2 78 78 A R G X4 + 0 0 131 -3,-1.0 3,-1.1 -4,-0.3 5,-0.3 0.831 68.4 62.3 -50.9 -39.5 42.2 20.7 19.1 79 79 A S G 34 S+ 0 0 68 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.591 92.0 67.1 -66.4 -11.1 44.6 23.4 20.2 80 80 A I G <4 S- 0 0 9 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.814 99.9-136.2 -77.7 -31.5 44.2 25.2 16.8 81 81 A G S << S+ 0 0 28 -3,-1.1 -1,-0.1 -4,-0.6 5,-0.1 -0.196 85.2 60.4 92.0 167.5 40.5 26.0 17.5 82 82 A L S > S+ 0 0 99 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 0.803 72.1 150.3 45.1 29.4 37.8 25.7 14.9 83 83 A Y H > + 0 0 42 -5,-0.3 4,-2.0 1,-0.2 5,-0.2 0.704 54.5 57.5 -67.2 -25.6 39.0 22.1 15.1 84 84 A R H > S+ 0 0 151 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.964 113.5 37.9 -72.0 -50.0 35.8 20.3 14.2 85 85 A N H > S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.906 118.5 50.1 -66.8 -40.5 35.3 22.0 10.9 86 86 A K H X S+ 0 0 11 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.935 109.8 49.2 -65.3 -44.8 39.1 21.9 10.1 87 87 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.928 114.4 46.4 -60.0 -44.0 39.4 18.2 10.9 88 88 A R H X S+ 0 0 40 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.927 113.7 48.2 -64.6 -43.9 36.4 17.4 8.7 89 89 A N H X S+ 0 0 53 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.900 109.2 53.8 -63.2 -40.9 37.7 19.7 5.9 90 90 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.930 108.8 47.6 -61.8 -44.5 41.2 18.1 6.1 91 91 A Q H X S+ 0 0 37 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.918 115.7 45.1 -63.6 -40.4 39.8 14.5 5.7 92 92 A K H X S+ 0 0 55 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.878 112.4 52.3 -68.9 -36.8 37.6 15.6 2.7 93 93 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.917 109.9 48.2 -64.6 -43.9 40.6 17.6 1.2 94 94 A C H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.879 109.3 52.7 -66.0 -37.1 42.9 14.6 1.4 95 95 A A H X S+ 0 0 32 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.887 109.6 50.3 -65.4 -36.3 40.2 12.3 -0.2 96 96 A M H X>S+ 0 0 43 -4,-1.8 4,-3.2 2,-0.2 5,-1.0 0.855 104.6 55.9 -71.4 -35.8 39.9 14.8 -3.0 97 97 A L H X5S+ 0 0 1 -4,-1.9 6,-2.5 3,-0.2 4,-1.0 0.930 113.4 43.1 -61.0 -42.9 43.7 15.0 -3.6 98 98 A I H <5S+ 0 0 50 -4,-1.7 4,-0.3 4,-0.2 -2,-0.2 0.939 122.1 37.2 -67.1 -49.1 43.6 11.2 -4.1 99 99 A D H <5S+ 0 0 125 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.841 133.6 19.0 -76.0 -34.8 40.5 11.0 -6.2 100 100 A K H <5S+ 0 0 82 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.724 125.8 41.0-110.8 -26.7 40.9 14.2 -8.3 101 101 A Y S >< - 0 0 80 1,-0.1 4,-2.3 2,-0.0 5,-0.2 -0.754 66.5-146.4 -92.0 131.4 46.7 25.7 -9.9 109 109 A R H > S+ 0 0 54 -2,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.927 99.8 47.4 -60.6 -48.7 45.1 28.4 -7.6 110 110 A D H 4 S+ 0 0 90 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.819 111.7 51.5 -65.5 -29.8 41.5 27.8 -8.9 111 111 A E H >4 S+ 0 0 67 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.898 106.8 53.6 -73.0 -38.7 41.9 24.0 -8.5 112 112 A L H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.883 100.8 61.5 -61.1 -37.9 43.2 24.4 -4.9 113 113 A M T 3< S+ 0 0 72 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.643 90.0 69.1 -64.7 -13.1 40.1 26.4 -4.1 114 114 A K T < S+ 0 0 127 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.683 81.5 94.6 -78.1 -15.7 37.9 23.4 -5.0 115 115 A L S X S- 0 0 3 -3,-1.9 3,-1.6 -4,-0.4 2,-0.2 -0.525 90.0-105.1 -76.5 140.5 39.3 21.7 -1.9 116 116 A P T 3 S+ 0 0 33 0, 0.0 -23,-0.2 0, 0.0 -1,-0.1 -0.473 106.4 22.0 -67.2 132.2 37.2 22.1 1.3 117 117 A G T 3 S+ 0 0 39 -2,-0.2 2,-0.6 1,-0.2 5,-0.1 0.310 100.2 108.8 93.9 -8.8 38.6 24.6 3.8 118 118 A V < + 0 0 9 -3,-1.6 -1,-0.2 -6,-0.2 2,-0.1 -0.901 39.7 166.3-108.3 114.3 40.6 26.3 1.1 119 119 A G > - 0 0 36 -2,-0.6 4,-2.5 -3,-0.1 5,-0.2 -0.347 56.7 -74.7-107.2-166.0 39.5 29.8 -0.0 120 120 A R H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.899 129.2 51.3 -62.4 -40.4 41.3 32.4 -2.1 121 121 A K H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.953 113.0 45.1 -61.2 -48.9 43.7 33.4 0.7 122 122 A T H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.933 113.8 49.1 -61.0 -47.1 44.8 29.8 1.4 123 123 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.896 110.2 51.6 -61.3 -41.6 45.2 29.0 -2.3 124 124 A N H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 5,-0.2 0.889 108.7 50.3 -63.7 -40.6 47.3 32.1 -2.9 125 125 A V H X S+ 0 0 13 -4,-2.1 4,-3.0 -5,-0.2 5,-0.5 0.950 112.6 48.1 -62.5 -46.6 49.7 31.4 -0.1 126 126 A V H X>S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-0.9 0.939 113.1 44.1 -61.3 -50.4 50.2 27.8 -1.3 127 127 A V H X5S+ 0 0 2 -4,-2.5 6,-2.7 3,-0.2 4,-0.6 0.869 119.3 45.4 -65.1 -32.0 50.9 28.6 -5.0 128 128 A S H X5S+ 0 0 10 -4,-1.9 4,-0.9 -5,-0.3 -2,-0.2 0.955 122.3 31.5 -74.1 -53.7 53.1 31.5 -4.0 129 129 A V H <5S+ 0 0 43 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.930 129.6 34.7 -73.6 -47.2 55.2 29.8 -1.3 130 130 A A H <5S+ 0 0 31 -4,-2.1 -3,-0.2 -5,-0.5 -2,-0.1 0.886 133.5 21.8 -76.7 -40.8 55.2 26.3 -2.6 131 131 A F H < - 0 0 28 -2,-0.8 4,-2.4 -18,-0.1 5,-0.3 -0.337 61.9 -70.6-110.9-166.7 44.6 38.1 5.2 140 140 A T H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.902 130.7 46.4 -59.3 -42.8 43.7 40.2 8.3 141 141 A H H > S+ 0 0 33 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.944 113.0 46.8 -67.6 -49.0 47.1 42.0 8.3 142 142 A V H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.932 115.9 46.6 -60.1 -44.5 47.2 42.8 4.6 143 143 A E H X S+ 0 0 57 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.946 114.0 46.7 -62.9 -50.0 43.6 44.1 4.7 144 144 A R H X S+ 0 0 29 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.923 114.2 47.0 -58.5 -47.6 44.1 46.1 7.9 145 145 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 6,-0.2 0.922 112.2 51.1 -61.8 -43.2 47.3 47.7 6.7 146 146 A S H X>S+ 0 0 0 -4,-2.4 5,-2.7 -5,-0.3 4,-1.2 0.912 114.2 42.8 -60.7 -45.1 45.8 48.5 3.3 147 147 A K H <5S+ 0 0 17 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.859 113.6 50.1 -72.9 -36.1 42.8 50.2 4.7 148 148 A R H <5S+ 0 0 15 -4,-2.5 59,-1.3 -5,-0.2 58,-0.4 0.933 114.3 44.5 -67.7 -44.2 44.6 52.1 7.4 149 149 A L H <5S- 0 0 8 -4,-2.3 57,-0.3 -5,-0.2 -1,-0.2 0.719 115.5-113.2 -72.5 -22.8 47.2 53.5 5.0 150 150 A G T <5S+ 0 0 16 -4,-1.2 -148,-2.3 -5,-0.2 -3,-0.2 0.728 71.8 137.6 95.7 23.5 44.6 54.4 2.4 151 151 A F S - 0 0 94 -2,-0.2 3,-1.9 1,-0.1 -5,-0.1 -0.548 39.7-118.3 -84.7 150.3 38.6 52.2 0.8 154 154 A W T 3 S+ 0 0 150 1,-0.3 -1,-0.1 -2,-0.2 -7,-0.1 0.742 113.5 52.5 -57.6 -25.3 37.5 50.9 4.2 155 155 A D T 3 S+ 0 0 110 -8,-0.1 -1,-0.3 2,-0.0 -8,-0.0 0.467 82.3 121.4 -91.7 -1.8 34.5 49.1 2.7 156 156 A D < - 0 0 44 -3,-1.9 2,-0.1 1,-0.1 -9,-0.1 -0.267 63.4-119.5 -63.8 147.6 36.4 47.3 -0.0 157 157 A S > - 0 0 68 1,-0.1 4,-1.9 4,-0.0 5,-0.1 -0.300 28.0-106.5 -77.7 169.0 36.3 43.5 -0.1 158 158 A V H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.834 123.8 55.4 -68.2 -28.7 39.4 41.4 0.2 159 159 A L H > S+ 0 0 65 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.896 106.0 51.6 -67.8 -38.8 39.3 40.7 -3.5 160 160 A E H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.898 108.6 50.6 -62.9 -42.0 39.2 44.4 -4.1 161 161 A V H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.942 111.0 49.6 -60.8 -47.0 42.3 44.8 -1.9 162 162 A E H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.916 110.7 48.0 -58.6 -47.2 44.0 42.1 -3.9 163 163 A K H X S+ 0 0 99 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.885 108.9 54.9 -64.2 -37.0 43.2 43.6 -7.3 164 164 A T H X S+ 0 0 42 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.930 111.2 44.4 -61.5 -46.3 44.4 47.0 -6.2 165 165 A L H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 3,-0.4 0.883 108.3 57.2 -66.9 -39.2 47.8 45.6 -5.1 166 166 A M H < S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.833 108.7 47.3 -61.8 -31.9 48.2 43.5 -8.3 167 167 A K H < S+ 0 0 168 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.721 116.7 42.3 -81.7 -23.1 47.8 46.7 -10.4 168 168 A I H < S+ 0 0 42 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.1 0.764 109.4 61.8 -93.4 -28.9 50.3 48.8 -8.4 169 169 A I S < S- 0 0 11 -4,-2.6 5,-0.1 -5,-0.1 2,-0.1 -0.829 88.4-111.0-106.5 136.7 53.0 46.1 -7.9 170 170 A P > - 0 0 62 0, 0.0 3,-3.2 0, 0.0 4,-0.5 -0.403 30.1-121.6 -62.1 133.4 55.0 44.4 -10.6 171 171 A K G > S+ 0 0 109 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.806 112.2 63.6 -44.8 -35.9 54.0 40.7 -10.8 172 172 A E G 3 S+ 0 0 149 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.705 107.4 42.3 -65.0 -19.9 57.6 39.8 -10.1 173 173 A E G <> S+ 0 0 95 -3,-3.2 4,-2.1 1,-0.1 -1,-0.2 0.346 84.3 99.7-108.9 4.1 57.3 41.5 -6.7 174 174 A W H <> S+ 0 0 36 -3,-1.2 4,-2.0 -4,-0.5 5,-0.2 0.936 82.2 47.5 -55.9 -53.3 53.9 40.2 -5.6 175 175 A S H > S+ 0 0 29 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.917 115.7 41.6 -58.4 -48.8 55.1 37.4 -3.3 176 176 A I H > S+ 0 0 56 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.860 112.6 54.0 -70.9 -33.3 57.7 39.3 -1.3 177 177 A T H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.902 106.1 54.7 -65.6 -38.2 55.5 42.5 -1.0 178 178 A H H X S+ 0 0 8 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.944 110.4 44.9 -57.7 -50.4 52.8 40.3 0.5 179 179 A H H X S+ 0 0 23 -4,-1.7 4,-2.3 1,-0.2 -157,-0.2 0.889 111.5 52.8 -63.3 -39.1 55.2 39.0 3.1 180 180 A R H X S+ 0 0 63 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.889 109.6 49.3 -64.3 -38.3 56.5 42.5 3.8 181 181 A M H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.890 109.6 51.4 -67.9 -38.7 52.9 43.7 4.4 182 182 A I H X S+ 0 0 18 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.913 112.0 46.2 -64.5 -42.9 52.1 40.8 6.7 183 183 A F H X>S+ 0 0 20 -4,-2.3 4,-3.0 2,-0.2 5,-0.5 0.916 109.6 55.0 -65.5 -41.8 55.2 41.5 8.8 184 184 A F H X>S+ 0 0 2 -4,-2.3 5,-3.2 1,-0.2 4,-1.7 0.930 116.0 37.8 -57.4 -46.0 54.4 45.3 8.8 185 185 A G H <5S+ 0 0 0 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.878 118.2 48.9 -74.2 -37.1 51.0 44.5 10.2 186 186 A R H <5S+ 0 0 61 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.918 128.5 19.7 -69.4 -42.1 52.0 41.7 12.5 187 187 A Y H <5S+ 0 0 118 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.577 139.0 14.5-106.9 -12.3 55.0 43.5 14.1 188 188 A H T < + 0 0 34 -7,-1.8 3,-1.0 1,-0.2 4,-0.2 -0.289 51.0 148.4 -88.8 50.3 53.5 51.9 16.5 196 196 A C G > + 0 0 16 -2,-1.0 3,-2.6 1,-0.2 6,-0.2 0.891 60.0 64.3 -50.6 -51.7 52.4 55.2 14.9 197 197 A P G 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.806 115.7 30.6 -44.5 -37.4 54.7 57.5 17.0 198 198 A S G < S+ 0 0 88 -3,-1.0 -2,-0.2 4,-0.0 -3,-0.1 0.170 91.8 128.6-110.1 16.9 57.7 55.9 15.4 199 199 A C X - 0 0 23 -3,-2.6 3,-1.5 -4,-0.2 4,-0.3 -0.617 52.6-149.6 -82.4 127.6 56.2 55.0 12.0 200 200 A P T 3 S+ 0 0 50 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.555 100.5 50.6 -67.1 -9.4 58.0 56.1 8.8 201 201 A L T >> S+ 0 0 0 1,-0.1 3,-2.2 2,-0.1 4,-0.8 0.349 75.1 102.6-110.5 2.7 54.6 56.4 7.1 202 202 A L G X4 S+ 0 0 39 -3,-1.5 3,-0.8 1,-0.3 7,-0.2 0.857 71.1 69.8 -53.2 -36.6 52.9 58.5 9.7 203 203 A H G 34 S+ 0 0 104 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.545 114.6 23.3 -62.0 -8.9 53.4 61.5 7.4 204 204 A L G <4 S+ 0 0 21 -3,-2.2 2,-0.6 -198,-0.0 -1,-0.2 0.318 95.5 112.0-137.5 5.1 50.9 60.2 5.0 205 205 A C S+ 0 0 74 -2,-0.6 4,-1.3 -58,-0.4 -1,-0.2 0.877 94.7 46.5 -64.2 -39.6 45.1 58.9 7.7 207 207 A E H > S+ 0 0 39 -59,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.910 112.3 49.5 -69.9 -45.2 44.8 56.3 10.5 208 208 A G H > S+ 0 0 4 1,-0.2 4,-2.9 2,-0.2 3,-0.3 0.941 111.7 46.6 -60.6 -50.2 48.1 57.2 12.1 209 209 A K H X S+ 0 0 103 -4,-2.4 4,-1.9 -7,-0.2 -1,-0.2 0.853 111.4 54.3 -61.1 -33.9 47.4 61.0 12.2 210 210 A K H < S+ 0 0 99 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.836 112.7 42.3 -68.9 -34.3 43.9 60.2 13.6 211 211 A R H >< S+ 0 0 94 -4,-1.8 3,-1.2 -3,-0.3 -2,-0.2 0.879 111.5 53.5 -79.5 -40.7 45.4 58.2 16.4 212 212 A M H 3< S+ 0 0 91 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.885 102.9 58.0 -61.2 -38.9 48.2 60.6 17.2 213 213 A R T 3< 0 0 94 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.688 360.0 360.0 -64.4 -16.6 45.6 63.4 17.5 214 214 A K < 0 0 99 -3,-1.2 -2,-0.2 -4,-0.2 -3,-0.2 0.709 360.0 360.0-119.1 360.0 44.1 61.2 20.2