==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 19-APR-96 7ICU . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR H.PELLETIER,M.R.SAWAYA . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 8.3 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 . 2 0.6 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 . 1 0.3 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 . 17 5.2 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 . 121 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 2 2 1 1 1 0 2 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 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 9 A E 0 0 223 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -20.6 67.3 58.2 57.0 2 10 A T + 0 0 122 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.262 360.0 70.3-161.1 -5.9 67.2 59.5 60.7 3 11 A L S S+ 0 0 53 36,-0.2 4,-0.1 1,-0.1 42,-0.1 0.795 111.3 29.2 -92.7 -31.9 64.8 62.4 60.7 4 12 A N S > S+ 0 0 7 35,-0.2 4,-3.3 1,-0.1 5,-0.3 0.118 89.6 126.8-114.5 26.9 61.6 60.5 60.2 5 13 A G H > + 0 0 22 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.911 69.0 40.1 -40.5 -78.2 63.1 57.5 62.0 6 14 A G H > S+ 0 0 37 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.819 115.9 53.8 -49.1 -40.6 60.5 56.6 64.7 7 15 A I H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.993 111.6 41.6 -63.6 -58.2 57.7 57.4 62.4 8 16 A T H X S+ 0 0 19 -4,-3.3 4,-2.6 1,-0.3 -2,-0.2 0.839 117.4 52.1 -53.9 -34.8 58.9 55.1 59.7 9 17 A D H X S+ 0 0 98 -4,-3.0 4,-2.5 -5,-0.3 -1,-0.3 0.890 108.4 45.4 -68.8 -43.9 59.7 52.6 62.3 10 18 A M H X S+ 0 0 4 -4,-3.4 4,-2.2 2,-0.2 -2,-0.2 0.940 113.5 53.8 -64.2 -41.3 56.5 52.6 64.1 11 19 A L H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.3 -2,-0.2 0.901 109.5 47.0 -52.8 -51.8 54.9 52.4 60.7 12 20 A T H X S+ 0 0 60 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.3 0.866 108.1 55.4 -62.4 -39.3 56.9 49.5 59.9 13 21 A E H X S+ 0 0 77 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.922 113.7 42.8 -54.9 -47.5 56.1 47.9 63.3 14 22 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.870 110.3 53.5 -61.3 -52.8 52.4 48.2 62.5 15 23 A A H X S+ 0 0 4 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.906 107.9 53.8 -54.4 -46.6 52.6 47.1 58.9 16 24 A N H X S+ 0 0 85 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.882 106.4 50.4 -55.2 -45.7 54.3 44.0 60.0 17 25 A F H X>S+ 0 0 39 -4,-1.3 4,-2.1 2,-0.2 5,-1.8 0.828 106.0 55.4 -65.2 -36.1 51.6 43.2 62.4 18 26 A E H <5S+ 0 0 7 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.944 114.4 40.2 -64.4 -42.7 48.9 43.5 59.9 19 27 A K H <5S+ 0 0 87 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.968 124.0 35.3 -70.6 -52.6 50.4 41.1 57.7 20 28 A N H <5S+ 0 0 23 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.914 133.7 21.4 -71.4 -45.8 51.7 38.6 60.2 21 29 A V T <5S+ 0 0 32 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.938 126.6 41.7 -84.4 -67.7 48.9 38.7 62.7 22 30 A S S + 0 0 29 1,-0.2 4,-4.1 -7,-0.1 5,-0.2 0.014 11.9 157.5 -19.8 48.5 45.6 42.5 56.7 25 33 A I H > S+ 0 0 106 -2,-1.3 4,-2.8 1,-0.2 -1,-0.2 0.804 75.0 48.4 -50.1 -41.1 47.5 42.5 53.5 26 34 A H H > S+ 0 0 155 2,-0.2 4,-1.2 3,-0.2 -1,-0.2 0.966 117.4 37.8 -66.6 -54.9 45.8 45.8 52.5 27 35 A K H >> S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 3,-1.4 0.961 119.3 50.8 -57.8 -54.5 46.3 47.7 55.7 28 36 A Y H 3X S+ 0 0 39 -4,-4.1 4,-1.2 1,-0.3 3,-0.4 0.903 108.5 50.5 -44.5 -57.3 49.7 46.0 55.9 29 37 A N H 3X S+ 0 0 81 -4,-2.8 4,-0.6 1,-0.2 -1,-0.3 0.647 108.6 57.2 -54.8 -28.1 50.5 47.1 52.4 30 38 A A H XX S+ 0 0 30 -3,-1.4 4,-1.6 -4,-1.2 3,-0.7 0.886 98.8 53.3 -73.5 -50.5 49.4 50.6 53.4 31 39 A Y H 3X S+ 0 0 17 -4,-1.8 4,-2.4 -3,-0.4 5,-0.2 0.829 106.8 60.9 -55.9 -32.6 51.8 51.2 56.3 32 40 A R H 3X S+ 0 0 146 -4,-1.2 4,-1.0 -5,-0.2 -1,-0.2 0.800 102.5 43.0 -67.9 -37.3 54.4 50.3 53.9 33 41 A K H - 0 0 34 1,-0.1 4,-2.4 22,-0.0 -1,-0.2 -0.983 67.6-109.1-169.6 168.1 52.5 66.8 63.0 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.4 2,-0.2 5,-0.3 0.958 118.6 53.3 -67.2 -54.0 50.0 64.4 61.5 49 57 A A H > S+ 0 0 68 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.819 109.7 51.7 -48.3 -37.6 48.4 67.1 59.6 50 58 A E H >4 S+ 0 0 43 2,-0.2 3,-0.6 1,-0.2 -1,-0.3 0.962 114.1 40.6 -65.9 -54.3 51.8 67.8 58.2 51 59 A A H >< S+ 0 0 1 -4,-2.4 3,-2.6 1,-0.2 -2,-0.2 0.938 103.7 66.5 -56.3 -55.4 52.4 64.3 57.2 52 60 A K H 3< S+ 0 0 86 -4,-3.4 -1,-0.2 1,-0.3 5,-0.2 0.657 81.7 79.6 -38.5 -30.5 48.8 63.6 55.9 53 61 A K T << S+ 0 0 169 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.625 83.8 94.8 -56.5 -14.7 49.7 66.1 53.2 54 62 A L S X S- 0 0 36 -3,-2.6 3,-0.9 4,-0.1 2,-0.5 -0.482 87.3-109.2 -86.3 151.0 51.5 63.1 51.9 55 63 A P T 3 S+ 0 0 100 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.714 113.0 29.7 -81.4 126.1 50.4 60.5 49.4 56 64 A G T 3 S+ 0 0 24 -2,-0.5 2,-1.4 -4,-0.1 -22,-0.2 -0.066 98.1 119.2 106.9 -19.2 49.8 57.3 51.2 57 65 A V < + 0 0 9 -3,-0.9 -1,-0.1 -6,-0.2 -3,-0.0 -0.553 37.6 168.0 -87.3 92.9 49.0 59.5 54.0 58 66 A G > - 0 0 26 -2,-1.4 4,-1.2 -3,-0.1 -4,-0.1 -0.015 50.5 -96.4 -83.6-168.6 45.5 59.0 55.3 59 67 A T H > S+ 0 0 81 2,-0.2 4,-3.1 3,-0.2 5,-0.2 0.907 117.7 58.6 -77.3 -42.1 43.9 60.2 58.3 60 68 A K H > S+ 0 0 129 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.931 109.9 41.6 -53.3 -51.7 44.4 57.0 60.2 61 69 A I H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.854 111.6 57.0 -64.6 -37.6 48.1 57.1 59.9 62 70 A A H X S+ 0 0 7 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.940 105.4 52.9 -59.6 -42.1 48.0 60.8 60.5 63 71 A E H X S+ 0 0 124 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.858 109.2 47.6 -61.2 -38.8 46.3 60.1 63.8 64 72 A K H X S+ 0 0 46 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.872 109.2 52.6 -73.1 -37.9 48.9 57.6 64.9 65 73 A I H X S+ 0 0 0 -4,-2.5 4,-4.2 1,-0.2 5,-0.3 0.919 107.6 55.1 -64.8 -37.9 51.8 59.8 64.0 66 74 A D H X S+ 0 0 69 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.946 108.9 44.3 -58.3 -48.9 50.1 62.4 66.1 67 75 A E H X S+ 0 0 71 -4,-1.8 4,-3.6 2,-0.2 6,-0.3 0.878 118.2 45.3 -61.0 -43.1 49.9 60.3 69.2 68 76 A F H < S+ 0 0 52 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.976 110.7 51.8 -65.3 -53.4 53.3 59.1 68.7 69 77 A L H < S+ 0 0 56 -4,-4.2 -2,-0.2 1,-0.2 -1,-0.2 0.860 116.4 43.8 -46.9 -42.7 54.6 62.6 68.0 70 78 A A H < S+ 0 0 82 -4,-2.7 2,-0.4 -5,-0.3 -1,-0.2 0.936 125.3 27.4 -68.1 -54.8 52.9 63.6 71.2 71 79 A T S < S- 0 0 70 -4,-3.6 -1,-0.2 2,-0.3 0, 0.0 -0.916 79.2-121.0-116.7 139.1 54.0 60.6 73.3 72 80 A G S S+ 0 0 77 -2,-0.4 2,-0.2 -3,-0.1 -4,-0.1 0.436 96.5 47.1 -56.7 9.5 57.2 58.5 72.9 73 81 A K - 0 0 82 -6,-0.3 -2,-0.3 -5,-0.2 2,-0.3 -0.742 68.4-138.1-138.2-174.3 54.7 55.6 72.5 74 82 A L > - 0 0 5 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.950 15.8-144.1-148.7 125.7 51.6 54.3 70.8 75 83 A R H > S+ 0 0 178 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.910 101.0 52.4 -63.9 -42.9 49.0 52.2 72.8 76 84 A K H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 111.3 47.3 -59.9 -34.2 48.1 49.9 70.0 77 85 A L H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 113.2 52.3 -70.9 -37.2 51.8 49.2 69.6 78 86 A E H < S+ 0 0 75 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.806 107.2 48.5 -63.7 -37.3 51.8 48.8 73.3 79 87 A K H >X S+ 0 0 125 -4,-2.7 4,-2.0 1,-0.2 3,-1.0 0.889 111.4 51.9 -67.9 -46.1 48.9 46.3 73.3 80 88 A I H 3< S+ 0 0 19 -4,-1.8 7,-0.3 1,-0.2 -2,-0.2 0.879 99.2 62.4 -57.6 -49.3 50.6 44.2 70.5 81 89 A R T 3< S+ 0 0 125 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.386 112.8 39.6 -63.3 1.1 54.0 43.9 72.4 82 90 A Q T <4 S+ 0 0 136 -3,-1.0 -2,-0.2 5,-0.0 -1,-0.2 0.777 80.9 106.8-111.5 -57.5 52.2 42.0 75.1 83 91 A D X - 0 0 63 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.011 56.1-155.2 -33.3 101.1 49.7 39.8 73.4 84 92 A D H > S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.762 96.3 58.3 -55.9 -22.8 51.1 36.4 73.8 85 93 A T H 4 S+ 0 0 53 2,-0.2 4,-0.5 1,-0.1 -1,-0.2 0.921 107.0 41.9 -70.7 -51.2 49.1 35.7 70.7 86 94 A S H >> S+ 0 0 4 1,-0.2 3,-1.7 2,-0.2 4,-1.1 0.978 117.8 50.2 -59.6 -51.8 50.7 38.3 68.6 87 95 A S H 3X S+ 0 0 46 -4,-3.0 4,-1.9 -7,-0.3 3,-0.2 0.856 102.2 59.6 -50.7 -46.7 54.1 37.2 70.1 88 96 A S H 3X S+ 0 0 11 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.3 0.601 102.9 54.4 -63.4 -13.6 53.6 33.5 69.4 89 97 A I H <> S+ 0 0 7 -3,-1.7 4,-2.0 -4,-0.5 -1,-0.2 0.872 106.6 48.4 -86.5 -40.9 53.3 34.3 65.8 90 98 A N H X S+ 0 0 75 -4,-1.1 4,-0.6 -3,-0.2 -2,-0.2 0.813 115.7 46.6 -64.3 -35.3 56.5 36.1 65.5 91 99 A F H >< S+ 0 0 61 -4,-1.9 3,-1.0 2,-0.2 4,-0.4 0.961 111.4 46.6 -72.9 -56.6 58.2 33.4 67.3 92 100 A L H >< S+ 0 0 0 -4,-1.3 3,-4.1 1,-0.3 6,-0.2 0.953 104.8 61.7 -49.3 -58.8 56.8 30.4 65.5 93 101 A T H 3< S+ 0 0 36 -4,-2.0 5,-0.4 1,-0.3 -1,-0.3 0.723 85.6 75.1 -38.8 -38.3 57.4 31.9 62.1 94 102 A R T << S+ 0 0 114 -3,-1.0 -1,-0.3 -4,-0.6 2,-0.3 0.782 76.6 99.3 -51.9 -26.9 61.1 32.0 62.8 95 103 A V S X S- 0 0 2 -3,-4.1 3,-3.3 -4,-0.4 2,-0.2 -0.477 91.4-108.0 -67.5 126.1 60.9 28.3 62.2 96 104 A S T 3 S+ 0 0 40 35,-0.6 35,-0.3 -2,-0.3 -1,-0.1 -0.390 106.6 17.4 -61.3 124.2 62.0 27.4 58.8 97 105 A G T 3 S+ 0 0 30 1,-0.4 2,-0.7 -4,-0.2 -1,-0.3 0.244 97.3 114.1 94.9 -2.8 59.0 26.4 56.9 98 106 A I < - 0 0 11 -3,-3.3 -1,-0.4 -5,-0.4 0, 0.0 -0.895 44.4-179.7 -99.6 129.2 56.7 28.0 59.3 99 107 A G > - 0 0 28 -2,-0.7 4,-1.3 -3,-0.1 -4,-0.1 -0.526 43.4 -95.5-110.7-179.1 55.0 30.8 57.6 100 108 A P H > S+ 0 0 40 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.738 120.3 60.7 -66.4 -38.8 52.4 33.1 59.3 101 109 A S H > S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.926 114.0 37.9 -54.1 -47.4 49.4 31.2 58.1 102 110 A A H > S+ 0 0 18 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.845 104.0 67.7 -73.3 -39.3 50.7 28.3 59.9 103 111 A A H X S+ 0 0 0 -4,-1.3 4,-1.4 1,-0.2 -2,-0.2 0.853 107.2 44.2 -51.6 -35.5 51.9 30.4 62.8 104 112 A R H X S+ 0 0 48 -4,-2.1 4,-3.0 2,-0.2 5,-0.4 0.958 110.6 49.7 -73.1 -56.1 48.2 31.0 63.4 105 113 A K H X S+ 0 0 102 -4,-1.6 4,-1.3 1,-0.2 6,-0.2 0.927 112.3 51.3 -49.1 -48.6 46.8 27.4 63.0 106 114 A F H <>S+ 0 0 0 -4,-3.1 5,-2.8 1,-0.2 -1,-0.2 0.934 112.6 44.3 -54.6 -51.0 49.6 26.3 65.3 107 115 A V H ><5S+ 0 0 6 -4,-1.4 3,-1.2 3,-0.3 -2,-0.2 0.870 111.3 53.1 -60.2 -44.9 48.6 28.9 68.0 108 116 A D H 3<5S+ 0 0 128 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.760 107.6 51.2 -67.0 -21.1 45.0 28.2 67.6 109 117 A E T 3<5S- 0 0 106 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.3 0.619 127.4-109.6 -89.8 -7.0 45.8 24.8 68.2 110 118 A G T < 5S+ 0 0 38 -3,-1.2 2,-0.7 1,-0.3 -3,-0.3 0.562 72.7 136.9 94.2 14.5 47.8 26.0 71.3 111 119 A I < + 0 0 6 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.2 -0.827 10.3 144.0 -93.5 115.3 51.3 25.4 70.1 112 120 A K + 0 0 69 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.2 0.452 49.1 61.4-132.5 -4.3 53.3 28.3 71.0 113 121 A T S > S- 0 0 55 1,-0.1 4,-4.3 -22,-0.0 5,-0.1 -0.852 79.4-117.3-129.3 162.6 56.7 27.1 71.9 114 122 A L H > S+ 0 0 33 -2,-0.3 4,-2.1 2,-0.3 5,-0.2 0.859 126.3 49.7 -60.3 -33.6 59.5 25.3 70.5 115 123 A E H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.945 105.4 55.3 -70.4 -43.7 58.6 22.8 73.1 116 124 A D H > S+ 0 0 46 1,-0.2 4,-1.3 2,-0.2 -2,-0.3 0.915 109.9 50.1 -51.5 -45.0 55.1 23.0 71.9 117 125 A L H >< S+ 0 0 2 -4,-4.3 3,-1.8 2,-0.2 -2,-0.2 0.976 107.3 45.9 -59.6 -66.0 56.4 22.1 68.6 118 126 A R H >< S+ 0 0 121 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.822 109.1 63.8 -45.4 -35.2 58.6 19.0 69.3 119 127 A K H 3< S+ 0 0 158 -4,-2.3 -1,-0.3 1,-0.3 3,-0.2 0.899 113.1 29.8 -56.6 -44.8 55.7 17.9 71.3 120 128 A N T X< S+ 0 0 50 -3,-1.8 3,-1.3 -4,-1.3 -1,-0.3 -0.276 72.6 143.7-113.2 45.8 53.7 17.8 68.2 121 129 A E G X + 0 0 92 -3,-1.6 3,-0.9 1,-0.3 -1,-0.2 0.855 65.2 71.5 -52.0 -38.1 56.2 17.0 65.7 122 130 A D G 3 S+ 0 0 106 1,-0.3 2,-1.0 -3,-0.2 -1,-0.3 0.847 90.3 57.8 -45.0 -45.5 53.7 14.8 63.9 123 131 A K G < S+ 0 0 81 -3,-1.3 2,-0.3 -6,-0.2 -1,-0.3 -0.214 94.6 81.5 -84.4 46.3 51.7 17.8 62.7 124 132 A L S < S- 0 0 7 -2,-1.0 5,-0.1 -3,-0.9 0, 0.0 -0.945 76.3-122.5-149.2 127.8 54.6 19.3 60.9 125 133 A N > - 0 0 94 -2,-0.3 4,-3.3 1,-0.1 3,-0.5 -0.217 40.2 -93.3 -69.5 163.6 55.9 18.5 57.4 126 134 A H H > S+ 0 0 103 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.770 125.9 53.3 -41.5 -40.3 59.5 17.5 56.8 127 135 A H H > S+ 0 0 39 2,-0.2 4,-3.5 1,-0.2 -1,-0.3 0.978 113.4 43.3 -63.0 -52.3 60.6 21.0 56.1 128 136 A Q H > S+ 0 0 18 -3,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.836 113.2 52.8 -59.3 -38.7 59.1 22.2 59.4 129 137 A R H >X S+ 0 0 100 -4,-3.3 4,-2.4 2,-0.2 3,-1.4 0.985 112.8 40.4 -65.3 -54.4 60.4 19.3 61.1 130 138 A I H 3X S+ 0 0 13 -4,-2.7 4,-1.8 1,-0.3 -2,-0.2 0.914 112.0 61.5 -55.4 -40.7 64.0 19.8 59.8 131 139 A G H 3< S+ 0 0 3 -4,-3.5 -35,-0.6 -35,-0.3 -1,-0.3 0.729 110.4 37.6 -54.7 -32.5 63.3 23.5 60.5 132 140 A L H X< S+ 0 0 10 -3,-1.4 3,-1.3 -4,-1.3 4,-0.2 0.754 108.2 62.6 -91.4 -32.8 62.7 22.7 64.2 133 141 A K H 3< S+ 0 0 130 -4,-2.4 -2,-0.2 1,-0.3 4,-0.2 0.792 117.4 30.0 -63.6 -31.0 65.4 20.1 64.6 134 142 A Y T 3X S+ 0 0 21 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.3 -0.270 77.3 131.3-123.3 45.4 68.0 22.7 63.7 135 143 A F H <> S+ 0 0 20 -3,-1.3 4,-0.5 2,-0.2 -1,-0.1 0.926 81.1 42.0 -60.1 -47.5 66.4 25.8 65.0 136 144 A G H >> S+ 0 0 39 -4,-0.2 3,-2.8 1,-0.2 4,-1.1 0.995 112.9 50.4 -59.5 -70.1 69.5 26.8 66.8 137 145 A D H 34 S+ 0 0 33 1,-0.3 3,-0.2 2,-0.2 -1,-0.2 0.736 107.9 57.2 -37.8 -41.8 72.0 25.9 64.1 138 146 A F H 3< S+ 0 0 47 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.617 102.2 52.0 -71.7 -17.7 69.9 27.9 61.5 139 147 A E H << S+ 0 0 105 -3,-2.8 -1,-0.2 -4,-0.5 -2,-0.2 0.762 88.3 100.2 -90.1 -22.2 70.0 31.2 63.3 140 148 A K S < S- 0 0 112 -4,-1.1 -4,-0.0 -3,-0.2 -3,-0.0 -0.334 74.7-124.9 -64.3 138.3 73.7 31.0 63.6 141 149 A R - 0 0 142 1,-0.1 40,-0.2 104,-0.0 -1,-0.1 -0.134 23.6-112.4 -72.0 177.7 75.6 33.1 61.1 142 150 A I E -A 180 0A 0 38,-1.4 38,-2.8 40,-0.1 40,-0.1 -0.932 22.1-140.5-123.5 111.5 78.3 31.6 58.8 143 151 A P E >> -A 179 0A 34 0, 0.0 4,-2.9 0, 0.0 3,-1.1 -0.328 16.6-129.8 -65.3 140.7 81.9 32.6 59.3 144 152 A R H 3> S+ 0 0 66 34,-3.1 4,-2.4 1,-0.3 5,-0.3 0.814 109.3 69.0 -60.8 -22.6 83.8 33.0 56.1 145 153 A E H 3> S+ 0 0 119 33,-0.4 4,-0.8 1,-0.2 -1,-0.3 0.917 109.7 33.2 -58.1 -42.5 86.3 30.8 57.7 146 154 A E H <> S+ 0 0 29 -3,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.773 112.3 65.3 -80.7 -33.0 83.8 28.0 57.3 147 155 A M H X S+ 0 0 2 -4,-2.9 4,-3.9 1,-0.2 -2,-0.2 0.961 102.9 45.3 -52.2 -57.8 82.4 29.5 54.1 148 156 A L H X S+ 0 0 71 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.820 112.6 51.0 -55.5 -39.8 85.7 28.9 52.3 149 157 A Q H X S+ 0 0 65 -4,-0.8 4,-1.1 -5,-0.3 -1,-0.2 0.932 114.4 45.8 -64.5 -43.3 86.0 25.4 53.7 150 158 A M H X S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 3,-0.4 0.952 113.7 47.3 -58.9 -58.9 82.4 24.8 52.4 151 159 A Q H >X S+ 0 0 53 -4,-3.9 4,-1.9 1,-0.3 3,-0.8 0.957 109.6 53.5 -47.2 -66.4 83.1 26.4 49.1 152 160 A D H 3X S+ 0 0 85 -4,-2.6 4,-1.2 1,-0.3 -1,-0.3 0.753 108.4 52.7 -43.4 -31.2 86.2 24.4 48.6 153 161 A I H 3X S+ 0 0 42 -4,-1.1 4,-1.3 -3,-0.4 -1,-0.3 0.968 109.9 43.7 -73.9 -46.1 84.3 21.3 49.3 154 162 A V H < - 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