==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE/DNA 07-MAY-13 4KLF . COMPND 2 MOLECULE: 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*G . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.D.FREUDENTHAL,W.A.BEARD,D.D.SHOCK,S.H.WILSON . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 9.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 14 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 2 1 1 2 3 0 1 0 1 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 10 A T > 0 0 173 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 79.0 9.1 -15.6 11.5 2 11 A L T 3 + 0 0 99 1,-0.3 3,-0.2 36,-0.2 36,-0.1 0.769 360.0 29.6 -62.4 -32.3 11.4 -17.7 9.4 3 12 A N T 3> S+ 0 0 16 35,-0.1 4,-2.5 1,-0.1 3,-0.4 -0.065 74.7 134.0-125.8 33.5 14.4 -15.5 9.8 4 13 A G H <> S+ 0 0 20 -3,-1.1 4,-2.3 1,-0.2 5,-0.2 0.794 71.5 55.8 -54.1 -38.3 13.9 -14.0 13.2 5 14 A G H > S+ 0 0 35 2,-0.2 4,-1.8 -4,-0.2 -1,-0.2 0.928 112.2 42.9 -62.5 -44.3 17.5 -14.7 14.4 6 15 A I H > S+ 0 0 5 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.928 114.6 47.7 -68.0 -47.2 18.9 -12.8 11.4 7 16 A T H X S+ 0 0 22 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.905 111.1 52.4 -67.1 -34.9 16.5 -9.8 11.6 8 17 A D H X S+ 0 0 111 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.929 109.2 50.4 -60.7 -44.4 17.1 -9.5 15.3 9 18 A M H X S+ 0 0 7 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.945 112.1 46.7 -59.5 -47.4 20.9 -9.4 14.7 10 19 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.869 110.5 52.3 -66.5 -37.5 20.5 -6.7 12.1 11 20 A T H X S+ 0 0 57 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.907 109.1 50.5 -63.6 -40.9 18.1 -4.6 14.3 12 21 A E H X S+ 0 0 67 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.902 110.9 48.7 -63.5 -40.6 20.6 -4.8 17.1 13 22 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.920 110.2 52.2 -63.1 -42.8 23.4 -3.6 14.7 14 23 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.912 109.2 49.1 -58.8 -45.7 21.1 -0.8 13.5 15 24 A N H X S+ 0 0 66 -4,-2.5 4,-3.2 2,-0.2 5,-0.4 0.919 109.6 52.3 -63.4 -40.7 20.5 0.3 17.1 16 25 A F H X>S+ 0 0 24 -4,-2.2 4,-2.6 1,-0.2 5,-1.8 0.958 111.0 46.7 -56.9 -52.6 24.2 0.3 17.8 17 26 A E H <>S+ 0 0 10 -4,-2.7 6,-2.9 3,-0.2 5,-0.8 0.897 118.7 41.5 -59.4 -41.0 24.9 2.5 14.8 18 27 A K H <5S+ 0 0 70 -4,-2.6 -2,-0.2 4,-0.2 -1,-0.2 0.975 125.3 31.2 -69.4 -54.7 22.1 4.9 15.7 19 28 A N H <5S+ 0 0 12 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.867 134.9 18.5 -75.9 -39.4 22.6 5.1 19.4 20 29 A V T <5S+ 0 0 12 -4,-2.6 -3,-0.2 -5,-0.4 -4,-0.1 0.892 131.2 35.3-102.9 -54.6 26.4 4.7 19.9 21 30 A S T - 0 0 28 -6,-2.9 4,-2.3 1,-0.1 3,-0.4 -0.804 25.4-177.8-118.2 87.9 25.8 6.8 12.0 24 33 A I H > S+ 0 0 82 -2,-0.6 4,-2.4 1,-0.3 -1,-0.1 0.794 79.0 52.1 -63.9 -31.4 22.3 7.5 10.7 25 34 A H H > S+ 0 0 155 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.885 109.9 48.7 -75.3 -34.9 22.8 6.0 7.2 26 35 A K H > S+ 0 0 121 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.898 110.0 53.4 -67.1 -40.6 24.2 2.8 8.6 27 36 A Y H X S+ 0 0 35 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.958 112.0 44.4 -53.5 -53.4 21.2 2.6 11.0 28 37 A N H X S+ 0 0 38 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.837 111.4 54.2 -62.6 -35.1 18.9 3.0 8.0 29 38 A A H X S+ 0 0 49 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.929 109.6 46.8 -64.8 -46.6 20.9 0.5 5.9 30 39 A Y H X S+ 0 0 24 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.905 113.1 48.5 -63.3 -42.0 20.6 -2.2 8.6 31 40 A R H X S+ 0 0 54 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.835 109.2 53.2 -69.1 -33.0 16.8 -1.6 9.1 32 41 A K H X S+ 0 0 92 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.944 111.4 46.4 -64.3 -47.0 16.2 -1.7 5.4 33 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 22,-0.3 -2,-0.2 0.887 111.7 49.8 -62.1 -42.9 18.0 -5.1 5.2 34 43 A A H X S+ 0 0 8 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.913 112.1 50.2 -63.1 -39.4 16.1 -6.5 8.2 35 44 A S H X S+ 0 0 10 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.919 111.1 46.3 -66.1 -44.7 12.9 -5.4 6.7 36 45 A V H X S+ 0 0 14 -4,-2.3 4,-0.9 1,-0.2 3,-0.3 0.903 115.4 47.3 -67.5 -36.3 13.6 -7.0 3.3 37 46 A I H >< S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.886 105.0 60.8 -70.3 -37.7 14.7 -10.2 5.0 38 47 A A H 3< S+ 0 0 70 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.803 108.4 42.7 -58.4 -32.6 11.6 -10.2 7.3 39 48 A K H 3< S+ 0 0 124 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.641 84.7 113.3 -93.6 -12.6 9.3 -10.4 4.3 40 49 A Y << - 0 0 45 -4,-0.9 -38,-0.2 -3,-0.5 -37,-0.1 -0.406 63.6-144.8 -58.7 122.7 11.3 -13.0 2.4 41 50 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.182 70.2 73.7 -87.7 19.6 9.2 -16.1 2.4 42 51 A H S S- 0 0 109 -39,-0.0 2,-0.7 0, 0.0 -2,-0.0 -0.938 87.3-108.2-124.8 151.3 12.0 -18.7 2.7 43 52 A K - 0 0 156 -2,-0.3 -40,-0.1 1,-0.1 2,-0.1 -0.714 48.6-118.1 -74.7 115.9 14.2 -19.8 5.6 44 53 A I - 0 0 3 -2,-0.7 3,-0.1 1,-0.1 -1,-0.1 -0.329 30.8-174.6 -66.5 130.7 17.5 -18.3 4.6 45 54 A K - 0 0 184 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.557 62.4 -0.2-102.8 -13.9 20.3 -20.9 4.1 46 55 A S > - 0 0 38 1,-0.1 4,-1.5 22,-0.0 -1,-0.2 -0.986 68.1-102.8-165.7 167.7 23.3 -18.6 3.4 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.883 117.6 57.6 -64.2 -41.1 24.6 -15.1 3.0 48 57 A A H > S+ 0 0 64 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.914 104.1 51.6 -58.2 -45.2 24.7 -15.4 -0.8 49 58 A E H >4 S+ 0 0 38 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.913 112.9 45.9 -57.9 -43.5 21.0 -16.2 -0.8 50 59 A A H >< S+ 0 0 0 -4,-1.5 3,-2.6 1,-0.2 6,-0.2 0.882 100.7 67.0 -67.5 -38.1 20.3 -13.1 1.3 51 60 A K H 3< S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.685 87.3 70.1 -58.5 -16.7 22.6 -10.9 -0.9 52 61 A K T << S+ 0 0 172 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.694 83.6 89.9 -72.8 -16.7 20.1 -11.4 -3.7 53 62 A L S X S- 0 0 26 -3,-2.6 3,-1.7 -4,-0.2 2,-0.3 -0.606 92.0-104.9 -85.6 141.3 17.7 -9.2 -1.8 54 63 A P T 3 S+ 0 0 99 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.493 108.0 26.4 -65.9 122.2 17.7 -5.4 -2.3 55 64 A G T 3 S+ 0 0 38 -2,-0.3 2,-0.6 1,-0.3 -22,-0.3 0.105 97.1 101.5 108.6 -20.0 19.4 -3.7 0.7 56 65 A V < + 0 0 8 -3,-1.7 -1,-0.3 -6,-0.2 2,-0.1 -0.894 50.6 167.9 -98.1 120.9 21.5 -6.7 1.6 57 66 A G > - 0 0 31 -2,-0.6 4,-2.2 -3,-0.1 5,-0.2 -0.269 49.7 -66.0-116.9-157.7 25.1 -6.3 0.4 58 67 A T H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.906 126.1 46.9 -65.7 -44.8 28.5 -7.9 1.0 59 68 A K H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 114.1 46.4 -68.3 -44.2 29.0 -7.1 4.6 60 69 A I H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.922 109.9 55.3 -66.0 -39.2 25.6 -8.2 5.7 61 70 A A H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.926 107.9 49.5 -54.4 -44.6 25.9 -11.4 3.7 62 71 A E H X S+ 0 0 114 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.893 110.3 49.5 -64.2 -39.4 29.2 -12.1 5.6 63 72 A K H X S+ 0 0 29 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.899 108.5 53.9 -67.2 -39.5 27.5 -11.5 9.0 64 73 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.911 106.9 51.4 -59.5 -42.0 24.6 -13.8 8.0 65 74 A D H X S+ 0 0 75 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.943 111.8 46.6 -62.3 -46.1 27.1 -16.5 7.2 66 75 A E H X S+ 0 0 37 -4,-2.2 4,-2.5 1,-0.2 6,-0.5 0.927 114.5 48.2 -56.7 -44.8 28.7 -16.1 10.6 67 76 A F H X S+ 0 0 44 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.879 112.3 47.2 -68.9 -38.4 25.3 -16.1 12.3 68 77 A L H < S+ 0 0 71 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.907 116.0 46.6 -65.3 -40.9 24.1 -19.1 10.5 69 78 A A H < S+ 0 0 84 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.880 131.5 14.4 -68.7 -40.4 27.3 -21.0 11.3 70 79 A T H < S- 0 0 75 -4,-2.5 -3,-0.2 2,-0.3 -2,-0.2 0.583 92.2-119.0-118.4 -16.3 27.5 -20.1 15.0 71 80 A G S < S+ 0 0 49 -4,-2.1 2,-0.3 -5,-0.4 -4,-0.2 0.459 88.1 57.1 85.0 1.2 24.2 -18.7 16.1 72 81 A K S S- 0 0 89 -6,-0.5 2,-0.5 -5,-0.0 -2,-0.3 -0.933 75.6-119.3-152.4 175.1 25.8 -15.5 17.0 73 82 A L >> - 0 0 3 -2,-0.3 4,-2.4 1,-0.1 3,-0.6 -0.972 11.1-152.8-126.8 116.7 27.9 -12.5 15.9 74 83 A R H 3> S+ 0 0 169 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.910 97.9 58.8 -51.4 -47.1 31.2 -11.8 17.5 75 84 A K H 3> S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 110.7 42.2 -49.0 -44.2 30.9 -8.1 16.7 76 85 A L H <> S+ 0 0 2 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.854 107.5 60.3 -74.3 -35.6 27.7 -8.0 18.7 77 86 A E H X S+ 0 0 68 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.930 110.0 43.6 -55.5 -44.5 29.1 -10.1 21.5 78 87 A K H >X S+ 0 0 156 -4,-2.4 4,-1.2 2,-0.2 3,-0.8 0.923 110.9 52.4 -68.5 -46.0 31.7 -7.5 22.1 79 88 A I H >< S+ 0 0 17 -4,-1.9 3,-0.7 1,-0.3 7,-0.2 0.909 107.5 54.5 -55.7 -41.5 29.3 -4.5 21.8 80 89 A R H 3< S+ 0 0 109 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.781 108.7 48.7 -61.7 -28.5 27.2 -6.3 24.4 81 90 A Q H << S+ 0 0 139 -4,-0.9 2,-0.6 -3,-0.8 -1,-0.2 0.627 86.8 100.3 -87.7 -17.2 30.2 -6.4 26.8 82 91 A D S+ 0 0 123 -2,-0.6 4,-3.0 1,-0.2 5,-0.2 0.909 90.3 49.0 -63.6 -45.3 29.9 -0.8 29.3 84 93 A T H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 114.5 45.1 -63.3 -44.6 29.8 2.5 27.6 85 94 A S H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.922 114.5 49.8 -62.0 -43.8 27.9 1.2 24.6 86 95 A S H X S+ 0 0 46 -4,-2.6 4,-2.3 -7,-0.2 -2,-0.2 0.918 111.6 48.0 -61.0 -45.7 25.6 -0.7 26.9 87 96 A S H X S+ 0 0 18 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.920 113.1 47.7 -60.8 -46.6 24.9 2.4 29.0 88 97 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.922 110.4 51.4 -65.5 -43.2 24.3 4.5 26.0 89 98 A N H < S+ 0 0 40 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 0.931 112.2 48.0 -58.8 -43.5 22.0 2.0 24.4 90 99 A F H >< S+ 0 0 48 -4,-2.3 3,-2.1 1,-0.2 4,-0.3 0.955 108.9 51.2 -61.4 -52.7 20.0 1.8 27.7 91 100 A L H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.851 101.4 61.9 -56.1 -37.5 19.6 5.6 28.2 92 101 A T T 3< S+ 0 0 25 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.587 86.1 75.9 -68.8 -7.9 18.3 6.1 24.7 93 102 A R T < S+ 0 0 122 -3,-2.1 2,-0.5 -4,-0.3 -1,-0.3 0.637 78.0 90.1 -76.6 -12.5 15.3 3.8 25.6 94 103 A V S X S- 0 0 2 -3,-2.0 3,-2.3 -4,-0.3 37,-0.1 -0.737 92.1-114.2 -82.1 125.8 14.0 6.8 27.6 95 104 A S T 3 S+ 0 0 37 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.407 104.4 25.2 -61.2 130.7 11.8 9.0 25.4 96 105 A G T 3 S+ 0 0 31 1,-0.2 2,-0.8 -4,-0.1 -1,-0.3 0.146 98.3 102.6 96.0 -19.9 13.5 12.4 24.9 97 106 A I < + 0 0 6 -3,-2.3 -1,-0.2 -6,-0.2 -3,-0.1 -0.877 51.0 174.7 -97.9 110.9 17.0 10.9 25.5 98 107 A G > - 0 0 27 -2,-0.8 4,-2.7 -3,-0.1 5,-0.2 -0.315 50.0 -76.7 -99.6-170.6 18.8 10.5 22.2 99 108 A P H > S+ 0 0 29 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.863 129.3 47.3 -53.9 -42.3 22.3 9.5 21.2 100 109 A S H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.962 114.5 42.9 -69.3 -52.1 23.7 12.9 22.2 101 110 A A H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.883 111.8 56.0 -61.3 -39.5 22.1 13.2 25.6 102 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.931 109.2 45.8 -60.7 -43.8 22.8 9.6 26.4 103 112 A R H X S+ 0 0 89 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.909 112.9 50.3 -66.7 -41.8 26.5 10.1 25.8 104 113 A K H X S+ 0 0 120 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.901 111.1 49.2 -61.4 -41.9 26.5 13.4 27.8 105 114 A F H ><>S+ 0 0 12 -4,-2.7 5,-2.8 2,-0.2 3,-0.6 0.946 109.0 51.6 -63.6 -48.4 24.7 11.7 30.7 106 115 A V H ><5S+ 0 0 13 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.890 107.1 54.7 -55.0 -41.1 27.2 8.8 30.8 107 116 A D H 3<5S+ 0 0 131 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.844 108.0 49.6 -57.3 -36.7 30.0 11.3 30.9 108 117 A E T <<5S- 0 0 83 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.388 124.6-104.0 -86.7 2.7 28.4 12.9 34.0 109 118 A G T < 5S+ 0 0 43 -3,-1.4 2,-0.8 -4,-0.3 -3,-0.2 0.619 81.5 130.6 82.5 14.0 28.1 9.5 35.6 110 119 A I < + 0 0 6 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.874 20.0 129.4 -99.6 106.0 24.4 9.2 35.0 111 120 A K + 0 0 77 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.1 0.403 48.6 58.6-144.8 1.8 23.9 5.7 33.5 112 121 A T S > S- 0 0 62 1,-0.1 4,-2.3 -22,-0.1 5,-0.2 -0.857 83.5-105.6-128.9 171.1 21.2 3.6 35.2 113 122 A L H > S+ 0 0 43 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.894 122.8 52.7 -61.5 -39.1 17.5 3.9 35.9 114 123 A E H > S+ 0 0 151 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.902 106.9 52.3 -61.4 -42.2 18.4 4.7 39.5 115 124 A D H >> S+ 0 0 25 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.934 111.1 46.5 -59.5 -48.5 20.8 7.5 38.5 116 125 A L H >< S+ 0 0 2 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.937 107.4 58.0 -57.9 -45.6 18.1 9.0 36.3 117 126 A R H 3< S+ 0 0 151 -4,-2.5 -1,-0.2 1,-0.3 3,-0.2 0.624 110.5 42.7 -65.9 -14.0 15.5 8.8 39.1 118 127 A K H << S+ 0 0 147 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.390 112.8 54.4-109.6 0.4 17.7 10.8 41.5 119 128 A N X< + 0 0 29 -3,-1.8 3,-2.5 -4,-0.5 4,-0.3 -0.094 59.0 134.4-122.7 36.2 18.7 13.4 38.8 120 129 A E G > + 0 0 81 1,-0.3 3,-2.0 -3,-0.2 -1,-0.1 0.819 68.6 65.9 -54.2 -33.0 15.3 14.6 37.6 121 130 A D G 3 S+ 0 0 128 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.669 95.5 58.2 -67.1 -13.9 16.5 18.1 37.8 122 131 A K G < S+ 0 0 103 -3,-2.5 2,-0.3 -6,-0.2 -1,-0.3 0.456 94.4 86.7 -90.1 -1.8 19.0 17.3 35.0 123 132 A L S < S- 0 0 18 -3,-2.0 2,-0.1 -4,-0.3 -26,-0.0 -0.750 74.2-130.6 -99.8 143.8 16.2 16.3 32.7 124 133 A N > - 0 0 87 -2,-0.3 4,-2.3 -28,-0.1 5,-0.2 -0.257 42.7 -90.5 -76.7 178.2 14.2 18.5 30.3 125 134 A H H > S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.914 125.9 47.9 -60.1 -48.1 10.4 18.2 30.4 126 135 A H H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.924 113.5 47.5 -58.5 -48.3 10.1 15.5 27.7 127 136 A Q H > S+ 0 0 16 -31,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.862 107.4 57.2 -63.1 -38.5 12.8 13.4 29.3 128 137 A R H X S+ 0 0 98 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.904 111.0 42.6 -59.2 -43.5 11.2 13.7 32.8 129 138 A I H X S+ 0 0 10 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.892 110.6 55.9 -72.9 -39.5 8.0 12.3 31.5 130 139 A G H < S+ 0 0 1 -4,-2.4 -35,-0.2 -35,-0.4 -2,-0.2 0.881 111.5 45.0 -57.1 -37.0 9.8 9.6 29.5 131 140 A L H >< S+ 0 0 7 -4,-2.2 3,-1.9 2,-0.2 4,-0.3 0.941 107.0 58.5 -72.2 -44.6 11.4 8.5 32.7 132 141 A K H 3< S+ 0 0 125 -4,-2.2 3,-0.2 1,-0.3 -2,-0.2 0.874 120.5 28.4 -50.5 -42.8 8.1 8.7 34.6 133 142 A Y T 3X S+ 0 0 17 -4,-2.1 4,-2.9 1,-0.2 -1,-0.3 0.036 80.6 130.5-112.0 26.2 6.6 6.1 32.3 134 143 A F H <> S+ 0 0 24 -3,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.882 79.3 40.0 -47.5 -51.5 9.7 4.2 31.2 135 144 A G H >> S+ 0 0 42 -4,-0.3 3,-1.1 -3,-0.2 4,-0.5 0.934 115.3 50.9 -66.6 -46.1 8.2 0.8 31.9 136 145 A D H >4 S+ 0 0 35 1,-0.3 3,-1.4 2,-0.2 -2,-0.2 0.886 104.4 57.9 -58.9 -41.9 4.8 1.6 30.5 137 146 A F H 3< S+ 0 0 44 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.652 100.7 57.7 -69.5 -14.8 6.2 3.0 27.2 138 147 A E H << S+ 0 0 95 -3,-1.1 -1,-0.3 -4,-0.5 2,-0.2 0.618 89.2 90.2 -89.0 -11.2 7.9 -0.3 26.5 139 148 A K S << S- 0 0 109 -3,-1.4 2,-0.1 -4,-0.5 -3,-0.0 -0.563 75.9-127.0 -81.6 147.4 4.7 -2.3 26.7 140 149 A R - 0 0 139 -2,-0.2 40,-0.2 104,-0.1 -2,-0.1 -0.489 19.0-117.4 -88.8 166.1 2.6 -2.8 23.5 141 150 A I E -A 179 0A 0 38,-3.2 38,-2.4 -2,-0.1 40,-0.1 -0.904 22.2-129.5-108.9 116.8 -1.1 -2.0 23.1 142 151 A P E >> -A 178 0A 57 0, 0.0 4,-2.1 0, 0.0 3,-0.9 -0.353 23.1-120.4 -60.3 144.3 -3.5 -4.8 22.4 143 152 A R H 3> S+ 0 0 57 34,-2.3 4,-2.6 1,-0.3 5,-0.2 0.865 113.9 62.5 -57.1 -34.3 -5.8 -4.0 19.4 144 153 A E H 3> S+ 0 0 143 33,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.892 106.5 44.4 -57.7 -39.4 -8.8 -4.4 21.8 145 154 A E H <> S+ 0 0 28 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.867 109.0 56.0 -71.2 -37.1 -7.4 -1.5 23.8 146 155 A M H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.890 106.0 52.7 -60.2 -37.6 -6.7 0.5 20.7 147 156 A L H X S+ 0 0 76 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.928 109.2 48.5 -63.7 -43.1 -10.3 0.0 19.8 148 157 A Q H X S+ 0 0 60 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.881 112.8 47.8 -62.0 -40.1 -11.4 1.4 23.2 149 158 A M H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.913 108.6 54.8 -68.9 -41.1 -9.0 4.4 22.8 150 159 A Q H X S+ 0 0 47 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.937 106.3 52.2 -53.9 -50.6 -10.3 5.0 19.3 151 160 A D H X S+ 0 0 97 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.940 111.4 46.2 -51.7 -53.2 -13.9 5.2 20.7 152 161 A I H X S+ 0 0 37 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.919 115.7 44.3 -58.8 -49.1 -12.9 7.8 23.3 153 162 A V H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.952 115.8 46.5 -65.5 -47.6 -10.9 10.0 20.9 154 163 A L H X S+ 0 0 61 -4,-3.2 4,-2.0 -5,-0.2 -2,-0.2 0.933 116.1 45.6 -61.6 -42.6 -13.5 9.9 18.1 155 164 A N H X S+ 0 0 72 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.885 114.3 46.8 -70.3 -36.5 -16.4 10.6 20.5 156 165 A E H X S+ 0 0 20 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.2 0.884 110.5 52.7 -72.2 -38.5 -14.7 13.4 22.4 157 166 A V H >X S+ 0 0 5 -4,-2.5 4,-2.2 -5,-0.3 3,-0.5 0.932 107.3 52.8 -61.2 -43.4 -13.5 15.0 19.2 158 167 A K H 3< S+ 0 0 129 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.888 104.3 56.5 -56.8 -42.0 -17.1 15.0 17.9 159 168 A K H 3< S+ 0 0 139 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.821 107.7 48.9 -61.1 -32.1 -18.3 16.7 21.2 160 169 A V H << S- 0 0 41 -4,-1.3 2,-0.3 -3,-0.5 -2,-0.2 0.961 137.9 -17.7 -71.8 -52.3 -15.9 19.5 20.4 161 170 A D >< - 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