==== 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 7ICN . 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) . 17919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 66.7 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 . 28 8.6 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 . 14 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 1 2 2 0 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 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 . 0 1 0 2 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 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -13.0 67.2 58.1 57.0 2 10 A T + 0 0 123 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.182 360.0 75.3-167.6 -8.8 67.2 59.3 60.6 3 11 A L S S+ 0 0 60 1,-0.1 4,-0.2 36,-0.1 42,-0.1 0.892 111.4 25.0 -82.6 -39.1 64.8 62.1 60.4 4 12 A N S > S+ 0 0 8 35,-0.2 4,-3.5 1,-0.1 5,-0.2 0.187 88.2 123.7-113.8 23.4 61.7 60.0 60.2 5 13 A G H > S+ 0 0 21 2,-0.2 4,-4.1 1,-0.2 5,-0.2 0.881 71.3 43.5 -41.1 -75.8 63.1 56.8 61.9 6 14 A G H > S+ 0 0 38 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.909 118.7 48.7 -43.8 -52.4 60.7 56.1 64.8 7 15 A I H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.934 114.4 42.6 -56.5 -56.7 57.8 56.9 62.5 8 16 A T H X S+ 0 0 21 -4,-3.5 4,-1.9 1,-0.2 -1,-0.2 0.845 116.7 49.1 -61.4 -35.4 59.0 54.7 59.8 9 17 A D H X S+ 0 0 99 -4,-4.1 4,-2.8 -5,-0.2 -2,-0.2 0.964 108.6 50.2 -67.3 -49.4 59.9 52.0 62.2 10 18 A M H X S+ 0 0 6 -4,-3.4 4,-3.6 1,-0.2 -2,-0.2 0.911 110.4 52.5 -50.2 -50.2 56.6 52.0 64.1 11 19 A L H X S+ 0 0 0 -4,-2.1 4,-5.0 2,-0.2 -1,-0.2 0.886 107.9 49.5 -52.7 -50.2 54.8 51.8 60.8 12 20 A T H X S+ 0 0 60 -4,-1.9 4,-3.8 2,-0.2 -1,-0.2 0.931 112.1 49.5 -57.3 -46.9 56.9 48.8 59.8 13 21 A E H X S+ 0 0 69 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.960 115.7 43.8 -52.9 -54.5 56.1 47.2 63.3 14 22 A L H X S+ 0 0 1 -4,-3.6 4,-2.0 1,-0.2 -2,-0.2 0.955 115.6 47.1 -56.4 -53.6 52.4 48.0 62.5 15 23 A A H X S+ 0 0 2 -4,-5.0 4,-1.4 1,-0.2 -2,-0.2 0.903 110.6 53.6 -57.2 -43.5 52.6 46.7 58.9 16 24 A N H X S+ 0 0 90 -4,-3.8 4,-2.0 1,-0.2 5,-0.2 0.904 107.9 48.4 -56.6 -48.1 54.4 43.6 60.0 17 25 A F H X>S+ 0 0 37 -4,-2.3 4,-2.9 -5,-0.2 5,-1.3 0.909 102.9 61.3 -60.7 -45.8 51.9 42.6 62.5 18 26 A E H <5S+ 0 0 10 -4,-2.0 6,-0.6 -5,-0.2 4,-0.2 0.890 113.0 36.0 -50.2 -45.0 48.9 43.1 60.2 19 27 A K H <5S+ 0 0 83 -4,-1.4 -1,-0.2 4,-0.2 -2,-0.2 0.950 121.7 42.4 -73.5 -52.1 50.1 40.5 57.7 20 28 A N H <5S+ 0 0 26 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.694 130.2 20.9 -66.2 -32.2 51.7 37.9 60.1 21 29 A V T <5S+ 0 0 29 -4,-2.9 -3,-0.2 -5,-0.2 2,-0.1 0.793 131.6 28.7-105.2 -54.5 49.0 37.9 62.8 22 30 A S S + 0 0 27 -6,-0.6 4,-3.4 1,-0.2 5,-0.2 -0.175 9.4 160.6 -51.1 75.4 45.4 42.2 56.7 25 33 A I H > S+ 0 0 97 -2,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.860 79.0 50.8 -63.5 -38.4 47.4 42.3 53.5 26 34 A H H > S+ 0 0 154 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.984 115.6 40.8 -63.3 -51.3 45.7 45.5 52.5 27 35 A K H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.892 116.1 51.7 -58.8 -46.9 46.5 47.2 55.9 28 36 A Y H X S+ 0 0 34 -4,-3.4 4,-1.7 1,-0.3 -1,-0.2 0.978 108.8 47.8 -53.1 -62.1 49.8 45.7 55.8 29 37 A N H X S+ 0 0 73 -4,-2.9 4,-1.7 1,-0.2 -1,-0.3 0.732 108.1 60.4 -51.2 -27.7 50.4 47.0 52.4 30 38 A A H X S+ 0 0 28 -4,-1.1 4,-2.3 2,-0.2 3,-0.3 0.993 102.8 47.0 -66.2 -62.9 49.2 50.3 53.7 31 39 A Y H X S+ 0 0 16 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.741 111.0 60.9 -47.4 -28.8 51.8 50.7 56.5 32 40 A R H X S+ 0 0 150 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.944 105.7 35.5 -68.8 -58.2 54.3 49.8 53.8 33 41 A K H X S+ 0 0 84 -4,-1.7 4,-2.5 -3,-0.3 5,-0.2 0.942 117.0 60.1 -62.8 -39.4 54.0 52.4 51.1 34 42 A A H >X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.3 3,-0.8 0.961 108.1 40.5 -50.7 -64.4 53.4 54.9 53.9 35 43 A A H 3X S+ 0 0 6 -4,-2.4 4,-1.6 1,-0.3 -1,-0.3 0.862 112.0 59.1 -57.2 -29.1 56.7 54.2 55.6 36 44 A S H 3X S+ 0 0 60 -4,-2.2 4,-1.0 2,-0.2 -1,-0.3 0.913 109.8 42.0 -64.1 -38.8 58.2 54.2 52.2 37 45 A V H XX S+ 0 0 35 -4,-2.5 4,-2.1 -3,-0.8 3,-0.8 0.939 114.1 47.5 -73.6 -47.6 57.1 57.7 51.6 38 46 A I H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.795 106.7 66.0 -61.4 -25.4 57.8 59.2 54.9 39 47 A A H 3< S+ 0 0 47 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.2 0.869 107.4 35.0 -61.3 -43.7 61.1 57.4 54.4 40 48 A K H << S+ 0 0 181 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.792 89.9 122.3 -81.3 -33.2 62.1 59.6 51.4 41 49 A Y < - 0 0 40 -4,-2.1 4,-0.1 1,-0.2 -37,-0.1 -0.116 56.8-146.7 -45.3 114.5 60.5 62.8 52.9 42 50 A P + 0 0 83 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.400 67.8 61.5 -60.0 -16.0 63.1 65.4 53.2 43 51 A H S S- 0 0 111 -5,-0.1 2,-0.8 -39,-0.0 -40,-0.0 -0.469 88.8 -91.4-114.3-173.0 61.8 67.1 56.4 44 52 A K - 0 0 122 -2,-0.1 2,-0.3 -40,-0.0 -40,-0.1 -0.858 40.5-132.1 -99.4 113.4 61.1 66.5 60.0 45 53 A I + 0 0 8 -2,-0.8 3,-0.1 1,-0.2 -38,-0.1 -0.476 30.8 174.4 -64.9 124.1 57.6 65.4 60.4 46 54 A K + 0 0 153 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.472 58.8 10.5-111.3 -2.7 56.3 67.4 63.2 47 55 A S > - 0 0 39 1,-0.2 4,-1.8 22,-0.0 -1,-0.3 -0.990 67.2-111.6-168.1 161.5 52.7 66.4 63.0 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-3.5 1,-0.2 3,-1.1 0.981 116.8 55.5 -59.2 -57.1 50.2 64.0 61.7 49 57 A A H 3> S+ 0 0 65 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.809 106.5 53.6 -42.9 -36.5 48.5 66.7 59.6 50 58 A E H 34 S+ 0 0 45 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.877 113.8 40.2 -67.8 -41.5 51.9 67.3 58.1 51 59 A A H X< S+ 0 0 0 -4,-1.8 3,-5.8 -3,-1.1 -2,-0.2 0.928 101.1 68.2 -71.2 -50.4 52.3 63.8 57.2 52 60 A K H 3< S+ 0 0 97 -4,-3.5 -1,-0.2 1,-0.3 5,-0.2 0.707 88.8 72.1 -39.1 -30.8 48.7 63.2 56.1 53 61 A K T 3< S+ 0 0 170 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.716 84.6 86.6 -60.3 -27.7 49.7 65.6 53.3 54 62 A L S X S- 0 0 34 -3,-5.8 3,-0.7 1,-0.1 2,-0.2 -0.395 91.4-103.3 -77.1 160.7 51.8 62.8 52.0 55 63 A P T 3 S+ 0 0 93 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.433 111.5 30.6 -78.4 148.5 50.4 60.2 49.6 56 64 A G T 3 S+ 0 0 27 1,-0.3 2,-1.1 -2,-0.2 -22,-0.2 0.366 98.7 126.1 81.8 -13.2 49.6 56.8 51.2 57 65 A V < + 0 0 11 -3,-0.7 -1,-0.3 -5,-0.2 2,-0.1 -0.637 37.3 172.5 -84.0 95.3 49.0 59.1 54.1 58 66 A G > - 0 0 25 -2,-1.1 4,-1.7 -3,-0.1 -4,-0.1 -0.342 45.9-101.9 -97.0-175.2 45.8 58.6 55.5 59 67 A T H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.788 117.1 53.8 -73.7 -32.5 44.0 59.8 58.5 60 68 A K H > S+ 0 0 126 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.900 110.2 45.4 -73.2 -38.3 44.5 56.7 60.4 61 69 A I H > S+ 0 0 13 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.907 112.4 51.9 -67.1 -43.3 48.1 56.7 60.0 62 70 A A H X S+ 0 0 6 -4,-1.7 4,-3.2 1,-0.2 -2,-0.2 0.972 105.7 55.2 -50.7 -58.6 48.2 60.3 60.8 63 71 A E H X S+ 0 0 130 -4,-2.5 4,-1.6 1,-0.3 -1,-0.2 0.801 111.0 46.9 -38.3 -49.1 46.2 59.6 63.9 64 72 A K H X S+ 0 0 35 -4,-1.6 4,-1.9 2,-0.2 -1,-0.3 0.914 107.9 51.7 -65.7 -51.8 49.0 57.2 64.8 65 73 A I H X S+ 0 0 0 -4,-3.3 4,-3.5 1,-0.2 5,-0.4 0.873 105.7 60.2 -57.8 -35.5 51.9 59.4 64.1 66 74 A D H X S+ 0 0 67 -4,-3.2 4,-5.8 -5,-0.2 -2,-0.2 0.966 106.1 43.3 -54.6 -58.4 50.2 61.9 66.3 67 75 A E H X S+ 0 0 73 -4,-1.6 4,-2.8 1,-0.2 6,-0.5 0.725 116.8 49.3 -56.8 -32.6 50.2 59.7 69.4 68 76 A F H < S+ 0 0 52 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.963 118.2 36.0 -74.2 -53.5 53.7 58.7 68.7 69 77 A L H < S+ 0 0 57 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.971 120.8 51.3 -61.3 -48.6 55.0 62.1 68.1 70 78 A A H < S+ 0 0 84 -4,-5.8 2,-0.3 -5,-0.4 -3,-0.2 0.944 128.3 12.4 -49.3 -61.4 52.7 63.2 70.9 71 79 A T S < S- 0 0 67 -4,-2.8 2,-0.1 2,-0.4 -1,-0.1 -0.905 85.6-110.3-117.3 145.3 53.9 60.5 73.5 72 80 A G S S+ 0 0 75 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.356 96.9 46.7 -60.8 13.0 57.0 58.3 73.0 73 81 A K S S- 0 0 76 -6,-0.5 -2,-0.4 -2,-0.1 2,-0.4 -0.834 71.8-129.3-142.6-178.4 54.8 55.3 72.5 74 82 A L > - 0 0 1 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 -0.999 15.3-144.5-134.1 126.9 51.8 53.9 70.7 75 83 A R H > S+ 0 0 179 -2,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.977 102.8 48.4 -58.1 -52.2 49.1 52.1 72.7 76 84 A K H > S+ 0 0 75 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.877 111.5 49.4 -51.5 -46.5 48.4 49.6 69.9 77 85 A L H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.935 112.0 50.9 -62.6 -39.9 52.1 48.9 69.6 78 86 A E H < S+ 0 0 72 -4,-2.5 4,-0.5 2,-0.2 -2,-0.2 0.959 108.8 48.2 -63.5 -46.1 52.2 48.4 73.2 79 87 A K H >X S+ 0 0 140 -4,-2.8 4,-2.2 1,-0.2 3,-1.6 0.955 112.0 50.1 -54.5 -55.6 49.2 46.0 73.4 80 88 A I H 3< S+ 0 0 18 -4,-2.2 7,-0.3 1,-0.3 -1,-0.2 0.830 103.1 59.6 -48.8 -47.1 50.7 43.8 70.5 81 89 A R T 3< S+ 0 0 133 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.597 114.6 38.5 -62.6 -14.0 54.2 43.5 72.1 82 90 A Q T <4 S+ 0 0 135 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.2 0.893 86.5 105.0 -95.9 -62.1 52.5 41.9 75.1 83 91 A D X - 0 0 63 -4,-2.2 4,-2.2 1,-0.2 3,-0.5 0.140 60.1-153.1 -23.8 100.6 49.9 39.7 73.4 84 92 A D H > S+ 0 0 97 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.848 90.4 59.2 -57.1 -33.0 51.3 36.3 73.7 85 93 A T H > S+ 0 0 50 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.941 105.6 46.3 -61.3 -44.0 49.5 35.2 70.7 86 94 A S H > S+ 0 0 4 -3,-0.5 4,-2.0 1,-0.2 3,-0.5 0.957 112.2 53.7 -59.3 -46.6 51.1 37.7 68.5 87 95 A S H X S+ 0 0 51 -4,-2.2 4,-1.4 -7,-0.3 -1,-0.2 0.873 102.9 56.4 -54.2 -44.0 54.3 36.8 70.0 88 96 A S H X S+ 0 0 15 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.877 104.3 51.0 -58.5 -42.2 53.9 33.2 69.3 89 97 A I H X S+ 0 0 6 -4,-1.7 4,-1.4 -3,-0.5 -1,-0.2 0.900 106.6 55.6 -63.6 -42.6 53.5 33.7 65.7 90 98 A N H < S+ 0 0 66 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.811 116.1 37.7 -58.6 -31.9 56.5 35.7 65.5 91 99 A F H >< S+ 0 0 65 -4,-1.4 3,-1.9 -3,-0.3 4,-0.4 0.862 109.7 54.8 -81.9 -54.7 58.5 33.0 67.1 92 100 A L H >< S+ 0 0 1 -4,-2.9 3,-1.1 1,-0.3 -3,-0.2 0.819 103.5 64.1 -53.8 -31.8 57.1 29.8 65.6 93 101 A T T 3< S+ 0 0 40 -4,-1.4 -1,-0.3 -5,-0.3 5,-0.2 0.760 80.3 75.2 -65.7 -29.5 57.9 31.5 62.4 94 102 A R T < S+ 0 0 114 -3,-1.9 2,-0.5 -4,-0.2 -1,-0.2 0.715 78.2 100.1 -57.3 -21.1 61.6 31.5 63.0 95 103 A V S X S- 0 0 3 -3,-1.1 3,-3.0 -4,-0.4 37,-0.1 -0.595 86.1-116.5 -76.1 118.9 61.4 27.9 62.2 96 104 A S T 3 S+ 0 0 38 -2,-0.5 35,-0.3 1,-0.3 36,-0.2 -0.377 104.4 26.4 -56.0 126.2 62.4 27.0 58.7 97 105 A G T 3 S+ 0 0 28 -4,-0.1 2,-1.0 1,-0.1 -1,-0.3 -0.015 99.0 104.8 103.9 -18.9 59.3 25.6 57.0 98 106 A I < + 0 0 6 -3,-3.0 -1,-0.1 -5,-0.2 -3,-0.1 -0.784 44.7 173.6 -96.7 103.0 57.0 27.5 59.2 99 107 A G > - 0 0 32 -2,-1.0 4,-1.7 -3,-0.1 -4,-0.1 -0.192 49.3 -91.3 -89.2-164.2 55.5 30.4 57.5 100 108 A P H > S+ 0 0 44 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.853 123.0 58.3 -72.4 -39.3 52.7 32.6 59.2 101 109 A S H > S+ 0 0 95 1,-0.3 4,-1.7 2,-0.2 3,-0.2 0.956 112.1 41.8 -48.6 -62.0 49.9 30.6 57.8 102 110 A A H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.857 109.1 61.0 -51.7 -48.0 51.3 27.6 59.5 103 111 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.919 103.4 49.0 -50.7 -51.6 52.1 29.7 62.5 104 112 A R H X S+ 0 0 54 -4,-3.5 4,-2.2 2,-0.2 -1,-0.2 0.911 108.1 53.7 -55.8 -48.3 48.4 30.6 63.1 105 113 A K H >< S+ 0 0 98 -4,-1.7 3,-0.7 1,-0.2 4,-0.3 0.974 109.8 47.0 -50.2 -61.2 47.2 27.0 62.8 106 114 A F H ><>S+ 0 0 1 -4,-2.4 5,-4.6 1,-0.3 3,-0.8 0.829 111.7 51.3 -52.2 -34.9 49.6 25.7 65.4 107 115 A V H 3<5S+ 0 0 6 -4,-1.7 3,-0.5 -5,-0.3 -1,-0.3 0.881 105.7 52.3 -73.6 -33.7 48.8 28.4 67.8 108 116 A D T <<5S+ 0 0 130 -4,-2.2 -1,-0.3 -3,-0.7 -2,-0.2 0.416 109.4 53.1 -79.3 0.9 45.2 27.9 67.6 109 117 A E T < 5S- 0 0 112 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.367 124.9-109.4-107.7 -9.4 46.1 24.4 68.4 110 118 A G T 5S+ 0 0 36 -3,-0.5 2,-0.9 1,-0.3 -3,-0.3 0.612 72.9 139.0 91.7 12.4 48.0 25.6 71.2 111 119 A I < + 0 0 6 -5,-4.6 -1,-0.3 -6,-0.2 -2,-0.2 -0.819 16.2 143.7 -90.4 112.1 51.5 24.9 69.9 112 120 A K + 0 0 70 -2,-0.9 -1,-0.2 -3,-0.1 2,-0.2 0.677 46.7 47.9-122.7 -28.3 53.3 27.8 71.0 113 121 A T S > S- 0 0 65 -3,-0.2 4,-2.1 1,-0.1 5,-0.0 -0.517 82.5-103.4-111.5-177.2 56.7 26.9 72.0 114 122 A L H > S+ 0 0 35 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.871 124.8 48.4 -68.0 -42.5 59.7 24.9 70.7 115 123 A E H > S+ 0 0 126 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.933 107.1 56.7 -63.8 -43.5 58.9 22.2 73.1 116 124 A D H > S+ 0 0 48 1,-0.3 4,-0.9 2,-0.2 -2,-0.2 0.919 105.7 54.3 -49.8 -47.4 55.3 22.3 71.9 117 125 A L H >< S+ 0 0 1 -4,-2.1 3,-1.0 2,-0.2 -1,-0.3 0.932 106.9 46.0 -55.9 -54.1 56.7 21.7 68.6 118 126 A R H >< S+ 0 0 125 -4,-1.9 3,-2.9 1,-0.3 -2,-0.2 0.959 107.8 57.7 -55.1 -52.0 58.7 18.5 69.5 119 127 A K H 3< S+ 0 0 160 -4,-2.7 -1,-0.3 1,-0.3 3,-0.2 0.739 115.5 38.5 -50.4 -23.4 55.7 17.0 71.3 120 128 A N T X< S+ 0 0 45 -3,-1.0 3,-1.0 -4,-0.9 4,-0.4 -0.008 70.9 135.5-123.2 36.6 53.9 17.4 68.2 121 129 A E G X + 0 0 94 -3,-2.9 3,-0.5 1,-0.3 -1,-0.2 0.619 67.2 71.1 -56.3 -15.2 56.5 16.5 65.7 122 130 A D G 3 S+ 0 0 105 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.968 91.0 55.4 -66.5 -53.8 53.9 14.5 64.1 123 131 A K G < S+ 0 0 98 -3,-1.0 2,-0.3 -6,-0.1 -1,-0.2 0.543 94.7 85.4 -57.8 -6.7 52.0 17.6 62.9 124 132 A L S < S- 0 0 7 -3,-0.5 2,-0.1 -4,-0.4 -26,-0.0 -0.697 72.4-131.7 -99.7 155.9 55.1 19.0 61.0 125 133 A N > - 0 0 74 -2,-0.3 4,-2.2 -28,-0.1 5,-0.1 -0.268 41.2 -85.5 -86.7-177.8 56.3 18.1 57.5 126 134 A H H > S+ 0 0 106 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.952 128.2 42.1 -53.3 -58.7 59.8 17.2 56.6 127 135 A H H > S+ 0 0 41 1,-0.3 4,-3.9 2,-0.2 5,-0.3 0.966 114.6 53.2 -50.1 -56.9 61.2 20.7 56.1 128 136 A Q H > S+ 0 0 14 1,-0.3 4,-1.4 -31,-0.2 -1,-0.3 0.806 110.9 48.7 -47.1 -38.1 59.3 21.8 59.2 129 137 A R H X S+ 0 0 99 -4,-2.2 4,-2.0 2,-0.2 -1,-0.3 0.924 110.8 45.5 -74.6 -44.2 61.0 19.0 60.9 130 138 A I H X S+ 0 0 8 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.946 109.3 59.4 -61.7 -42.4 64.6 19.7 59.8 131 139 A G H < S+ 0 0 1 -4,-3.9 -35,-0.2 -35,-0.3 -1,-0.2 0.884 108.6 44.3 -47.4 -46.9 63.9 23.2 60.6 132 140 A L H >< S+ 0 0 13 -4,-1.4 3,-1.1 -5,-0.3 -1,-0.3 0.872 108.8 55.6 -69.3 -38.5 63.2 22.2 64.1 133 141 A K H 3< S+ 0 0 135 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.870 118.2 34.3 -63.1 -37.9 66.1 19.9 64.4 134 142 A Y T 3X S+ 0 0 13 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.3 -0.140 74.2 134.2-112.4 39.3 68.5 22.6 63.5 135 143 A F H <> S+ 0 0 23 -3,-1.1 4,-1.0 2,-0.2 -1,-0.2 0.869 81.6 33.7 -53.7 -45.6 66.9 25.6 65.1 136 144 A G H >> S+ 0 0 37 2,-0.2 3,-2.0 -3,-0.2 4,-1.6 0.991 116.8 52.7 -70.6 -64.6 70.0 27.0 66.6 137 145 A D H 34 S+ 0 0 28 1,-0.3 3,-0.2 2,-0.2 -2,-0.2 0.768 110.9 53.9 -35.4 -43.9 72.4 25.8 63.9 138 146 A F H 3< S+ 0 0 43 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.795 107.1 45.8 -62.8 -42.4 70.1 27.6 61.6 139 147 A E H << S+ 0 0 103 -3,-2.0 2,-0.4 -4,-1.0 -1,-0.2 0.634 91.3 102.4 -80.1 -18.6 70.1 30.8 63.3 140 148 A K S < S- 0 0 100 -4,-1.6 -4,-0.0 -3,-0.2 0, 0.0 -0.547 74.8-121.5 -70.3 121.9 73.9 30.8 63.7 141 149 A R - 0 0 151 -2,-0.4 40,-0.2 1,-0.1 -1,-0.1 -0.111 23.4-116.8 -58.9 159.7 75.8 33.0 61.2 142 150 A I E -A 180 0A 0 38,-5.4 38,-5.0 40,-0.1 2,-0.3 -0.887 22.5-142.9-106.6 117.7 78.4 31.5 58.9 143 151 A P E >> -A 179 0A 39 0, 0.0 3,-2.1 0, 0.0 4,-2.1 -0.567 17.3-127.3 -75.4 130.8 82.1 32.7 59.3 144 152 A R H 3> S+ 0 0 58 34,-2.9 4,-2.6 -2,-0.3 5,-0.3 0.767 107.3 69.9 -49.5 -27.6 84.1 33.1 56.1 145 153 A E H 3> S+ 0 0 124 33,-0.3 4,-0.6 1,-0.2 -1,-0.3 0.880 112.0 31.0 -55.1 -40.3 86.8 30.9 57.7 146 154 A E H <> S+ 0 0 24 -3,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.661 112.7 66.1 -85.3 -30.4 84.3 27.9 57.3 147 155 A M H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.928 102.7 45.5 -56.9 -46.0 82.9 29.5 54.3 148 156 A L H X S+ 0 0 80 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.826 110.8 54.8 -65.8 -39.9 86.2 29.0 52.4 149 157 A Q H X S+ 0 0 66 -4,-0.6 4,-1.9 -5,-0.3 -2,-0.2 0.931 111.6 43.8 -60.9 -48.5 86.3 25.4 53.8 150 158 A M H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.936 112.0 52.2 -59.6 -52.1 82.8 24.7 52.3 151 159 A Q H X S+ 0 0 57 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.915 106.9 57.1 -51.8 -44.5 83.6 26.3 49.1 152 160 A D H X S+ 0 0 84 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.956 110.2 40.0 -53.5 -54.8 86.7 24.2 48.9 153 161 A I H X S+ 0 0 36 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.969 114.3 50.7 -61.6 -55.0 84.9 20.9 49.2 154 162 A V H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.3 5,-0.2 0.931 111.8 47.9 -52.3 -50.5 82.0 21.7 47.0 155 163 A L H X S+ 0 0 56 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.3 0.855 110.8 50.8 -62.6 -36.7 84.1 23.0 44.2 156 164 A N H X S+ 0 0 81 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.950 113.1 44.2 -66.4 -47.3 86.5 20.0 44.3 157 165 A E H X S+ 0 0 30 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.900 109.4 55.6 -61.9 -45.2 83.7 17.4 44.2 158 166 A V H X S+ 0 0 6 -4,-2.3 4,-1.7 -5,-0.3 7,-0.3 0.893 108.0 53.4 -54.9 -37.5 81.8 19.2 41.5 159 167 A K H < S+ 0 0 137 -4,-1.4 3,-0.3 -5,-0.2 -2,-0.2 0.973 106.1 49.2 -61.4 -56.8 85.1 19.0 39.6 160 168 A K H < S+ 0 0 126 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.843 107.3 55.7 -50.9 -43.7 85.5 15.3 39.9 161 169 A V H < S- 0 0 47 -4,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.894 131.8 -9.9 -59.0 -44.3 82.0 14.6 38.7 162 170 A D >< - 0 0 49 -4,-1.7 3,-0.6 -3,-0.3 -1,-0.3 -0.949 52.4-146.7-156.9 139.0 82.5 16.5 35.6 163 171 A S T 3 S+ 0 0 90 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.1 0.569 97.6 63.3 -80.4 -15.4 85.3 18.7 34.4 164 172 A E T 3 S+ 0 0 113 -5,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.397 76.8 105.9 -89.9 -2.9 82.8 20.9 32.5 165 173 A Y < - 0 0 21 -3,-0.6 2,-0.4 -7,-0.3 24,-0.2 -0.368 54.7-152.7 -74.6 158.0 80.8 22.1 35.4 166 174 A I E -B 188 0B 51 22,-2.2 22,-1.4 -2,-0.1 2,-0.3 -0.930 15.1-175.8-136.8 110.4 81.1 25.7 36.6 167 175 A A E -B 187 0B 20 -2,-0.4 2,-0.3 20,-0.2 20,-0.2 -0.787 1.3-176.4-108.0 153.6 80.3 26.4 40.2 168 176 A T E -B 186 0B 28 18,-0.9 18,-2.3 -2,-0.3 2,-1.1 -0.955 23.8-140.8-153.1 128.2 80.2 29.7 41.9 169 177 A V E +B 185 0B 11 -2,-0.3 16,-0.2 16,-0.2 -2,-0.0 -0.736 32.4 175.9 -94.7 103.1 79.6 30.9 45.4 170 178 A C + 0 0 1 14,-1.8 3,-0.5 -2,-1.1 14,-0.3 0.067 32.0 79.7 -83.6-161.9 77.6 34.0 45.1 171 179 A G S > S- 0 0 17 93,-0.5 3,-1.2 1,-0.2 4,-0.5 -0.299 106.1 -51.8 88.9 179.2 76.3 35.9 48.0 172 180 A S T 3 >S+ 0 0 31 1,-0.3 5,-1.3 2,-0.2 -1,-0.2 0.612 131.8 73.1 -68.4 -16.3 78.1 38.5 50.2 173 181 A F T 3 5S+ 0 0 13 -3,-0.5 3,-0.3 1,-0.2 -1,-0.3 0.792 100.5 45.1 -59.5 -37.1 80.6 35.6 50.6 174 182 A R T < 5S+ 0 0 49 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.586 108.0 55.0 -76.5 -29.6 81.5 36.7 47.1 175 183 A R T 5S- 0 0 62 -4,-0.5 -1,-0.2 90,-0.1 -2,-0.2 0.214 127.4 -97.5 -93.8 8.2 81.4 40.5 47.9 176 184 A G T 5 + 0 0 35 -3,-0.3 -3,-0.2 1,-0.2 -4,-0.1 -0.085 64.0 167.6 100.3 -30.7 84.0 39.8 50.7 177 185 A A < - 0 0 33 -5,-1.3 -1,-0.2 1,-0.1 3,-0.1 0.293 37.0-137.0 -22.1 130.9 81.6 39.5 53.8 178 186 A E S S+ 0 0 138 1,-0.1 -34,-2.9 -35,-0.1 2,-0.4 0.624 86.6 16.8 -69.4 -19.3 83.1 38.1 57.0 179 187 A S E -A 143 0A 42 -36,-0.3 2,-0.2 -35,-0.1 -1,-0.1 -0.989 67.5-166.8-153.7 145.4 80.1 36.1 57.7 180 188 A S E -A 142 0A 4 -38,-5.0 -38,-5.4 -2,-0.4 3,-0.1 -0.690 22.2-134.5-125.6-178.6 77.3 34.9 55.8 181 189 A G S S- 0 0 31 1,-0.4 65,-0.5 -40,-0.2 2,-0.3 0.760 80.0 -6.8-103.7 -36.4 74.0 33.3 56.5 182 190 A D S S- 0 0 87 63,-0.1 2,-0.6 -40,-0.1 -1,-0.4 -0.908 73.2 -98.4-150.2 172.0 73.7 30.5 54.1 183 191 A M E - c 0 247B 2 63,-2.3 65,-2.5 -2,-0.3 2,-0.6 -0.919 28.7-170.2-112.4 118.4 75.5 29.1 51.1 184 192 A D E - c 0 248B 25 -2,-0.6 -14,-1.8 -14,-0.3 2,-0.4 -0.931 3.5-175.3-109.4 111.5 74.5 29.8 47.5 185 193 A V E -Bc 169 249B 2 63,-2.5 65,-1.9 -2,-0.6 2,-0.5 -0.862 9.9-155.7-104.1 128.1 76.0 28.0 44.7 186 194 A L E -Bc 168 250B 1 -18,-2.3 -18,-0.9 -2,-0.4 2,-0.4 -0.901 19.1-165.9-105.3 128.5 75.2 28.8 41.1 187 195 A L E +Bc 167 251B 1 63,-3.4 65,-1.8 -2,-0.5 2,-0.3 -0.949 17.6 159.3-129.2 146.4 75.7 26.1 38.6 188 196 A T E -B 166 0B 0 -22,-1.4 -22,-2.2 -2,-0.4 5,-0.1 -0.912 16.9-158.7-149.3 168.1 76.0 25.6 34.9 189 197 A H > - 0 0 13 63,-0.5 3,-2.0 -2,-0.3 65,-0.7 -0.948 29.1-124.1-150.9 139.1 77.3 23.1 32.4 190 198 A P T 3 S+ 0 0 59 0, 0.0 64,-0.1 0, 0.0 65,-0.1 0.866 112.9 63.6 -49.6 -44.9 78.1 23.8 28.7 191 199 A S T 3 S+ 0 0 58 1,-0.1 2,-0.5 -27,-0.1 11,-0.1 0.338 96.6 79.1 -64.2 5.3 75.8 21.1 27.8 192 200 A F < + 0 0 14 -3,-2.0 62,-4.5 60,-0.1 63,-0.7 -0.931 57.4 134.5-129.3 125.6 73.0 23.2 29.3 193 201 A T - 0 0 33 -2,-0.5 5,-0.1 60,-0.3 -2,-0.0 -0.996 61.6 -74.7-165.5 166.5 71.2 26.1 27.9 194 202 A S S S+ 0 0 69 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.606 127.7 20.3 -18.5 -58.2 68.2 28.2 27.1 195 203 A E S S+ 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.830 95.7 108.6 -88.3 -44.7 67.0 26.0 24.3 196 204 A S S S- 0 0 34 1,-0.2 2,-0.9 3,-0.0 -3,-0.2 -0.086 79.5-118.6 -38.4 111.9 68.8 22.8 25.2 197 205 A T - 0 0 131 -5,-0.1 -1,-0.2 1,-0.0 -2,-0.1 -0.520 52.1 -71.7 -73.9 109.1 66.0 20.6 26.5 198 206 A K - 0 0 81 -2,-0.9 -5,-0.1 -5,-0.1 -1,-0.0 0.600 35.1-169.1 33.5 175.7 66.7 19.8 30.0 199 207 A Q + 0 0 77 25,-0.1 3,-0.4 -7,-0.1 4,-0.3 -0.099 8.9 174.1 162.9 79.3 69.1 17.6 31.8 200 208 A P S >> S+ 0 0 44 0, 0.0 3,-2.8 0, 0.0 4,-1.9 0.866 78.2 67.5 -63.6 -42.7 68.1 17.2 35.4 201 209 A K H 3> S+ 0 0 114 1,-0.3 4,-4.9 2,-0.2 5,-0.4 0.831 86.5 72.4 -43.1 -44.2 70.9 14.7 36.0 202 210 A L H 34 S+ 0 0 2 -3,-0.4 4,-0.5 1,-0.2 -1,-0.3 0.798 110.6 28.0 -40.9 -46.4 73.1 17.7 35.4 203 211 A L H <> S+ 0 0 0 -3,-2.8 4,-1.7 -4,-0.3 3,-0.5 0.915 121.2 53.1 -82.1 -48.8 71.9 18.9 38.9 204 212 A H H X S+ 0 0 36 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.800 100.0 65.4 -54.9 -37.0 71.2 15.4 40.6 205 213 A Q H X S+ 0 0 81 -4,-4.9 4,-1.5 1,-0.2 -1,-0.2 0.929 106.5 37.8 -55.6 -51.3 74.5 14.2 39.7 206 214 A V H > S+ 0 0 1 -4,-0.5 4,-2.7 -3,-0.5 5,-0.3 0.853 109.7 62.9 -71.6 -32.4 76.3 16.6 41.9 207 215 A V H X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.933 105.1 47.1 -55.4 -43.8 73.7 16.4 44.6 208 216 A E H X S+ 0 0 121 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.867 108.3 54.6 -62.6 -47.0 74.5 12.9 45.1 209 217 A Q H X S+ 0 0 29 -4,-1.5 4,-2.3 1,-0.2 5,-0.3 0.970 106.0 51.2 -57.4 -51.5 78.2 13.4 45.2 210 218 A L H <>S+ 0 0 0 -4,-2.7 5,-3.2 1,-0.3 6,-1.7 0.854 115.3 43.1 -56.8 -31.9 78.0 16.0 47.9 211 219 A Q H ><5S+ 0 0 66 -4,-1.3 3,-1.4 -5,-0.3 -1,-0.3 0.896 106.0 64.1 -79.3 -35.7 76.0 13.6 50.0 212 220 A K H 3<5S+ 0 0 140 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.945 110.0 37.9 -44.8 -62.1 78.2 10.8 49.0 213 221 A V T 3<5S- 0 0 57 -4,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.469 122.5-111.0 -68.6 -8.3 81.1 12.4 50.8 214 222 A H T < 5S+ 0 0 143 -3,-1.4 -3,-0.2 -5,-0.3 18,-0.2 0.679 83.2 121.3 84.0 20.5 78.6 13.5 53.5 215 223 A F S - 0 0 17 0, 0.0 3,-2.0 0, 0.0 -60,-0.3 -0.340 35.1-122.1 -57.3 142.0 71.7 27.3 31.3 254 262 A K G > S+ 0 0 67 -62,-4.5 3,-1.1 -65,-0.7 4,-0.3 0.799 108.6 72.4 -58.8 -24.6 75.3 28.2 30.5 255 263 A D G 3 S+ 0 0 73 -63,-0.7 -1,-0.3 1,-0.2 50,-0.2 0.410 106.7 29.6 -73.2 5.6 73.8 30.8 28.4 256 264 A Q G <> S+ 0 0 37 -3,-2.0 4,-0.9 33,-0.1 -1,-0.2 0.129 84.6 114.7-153.2 30.0 72.6 33.0 31.3 257 265 A Y H X> S+ 0 0 3 -3,-1.1 4,-3.3 48,-0.2 3,-1.3 1.000 72.9 46.2 -62.4 -79.6 75.2 32.3 34.0 258 266 A Y H 3> S+ 0 0 40 1,-0.3 4,-2.9 -4,-0.3 5,-0.2 0.694 111.3 53.7 -40.7 -34.6 77.1 35.6 34.6 259 267 A C H 3> S+ 0 0 7 2,-0.2 4,-2.7 29,-0.2 -1,-0.3 0.908 115.4 40.2 -69.4 -43.4 73.9 37.6 34.7 260 268 A G H X S+ 0 0 7 -4,-2.9 3,-0.9 -5,-0.3 4,-0.9 0.983 115.3 47.0 -57.8 -58.5 76.2 38.9 38.8 263 271 A Y H 3< S+ 0 0 60 -4,-2.7 3,-0.5 1,-0.3 -2,-0.2 0.777 107.9 52.1 -50.3 -51.3 72.8 39.3 40.1 264 272 A F 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134.3 66.8 48.7 24.4 294 302 A G - 0 0 24 -2,-0.4 3,-0.4 5,-0.2 5,-0.1 -0.547 11.5-135.0 -85.9 157.7 64.6 49.5 21.4 295 303 A V S S+ 0 0 144 -2,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.815 88.1 86.1 -85.4 -30.7 63.3 53.1 21.2 296 304 A T S S- 0 0 131 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.464 130.9 -68.6 -48.8 -2.9 59.7 52.4 20.3 297 305 A G S S- 0 0 56 -3,-0.4 2,-0.3 2,-0.0 -1,-0.2 -0.520 107.5 -20.0 144.5 -60.0 59.2 52.2 24.0 298 306 A V + 0 0 102 -5,-0.1 2,-0.2 2,-0.0 -2,-0.2 -0.862 60.8 176.4-156.3-177.3 61.1 49.0 24.7 299 307 A A - 0 0 46 -2,-0.3 -5,-0.2 -5,-0.1 2,-0.2 -0.906 12.5-138.2 173.0 163.9 62.4 46.0 22.9 300 308 A G + 0 0 37 -2,-0.2 -9,-0.1 -7,-0.1 -2,-0.0 -0.605 27.0 141.0-130.8-169.2 64.4 42.8 23.3 301 309 A E - 0 0 144 -2,-0.2 2,-0.4 2,-0.1 -2,-0.0 0.130 54.6 -86.2 130.1 118.7 67.0 40.3 22.2 302 310 A P - 0 0 69 0, 0.0 -11,-0.2 0, 0.0 -2,-0.0 -0.161 30.9-148.0 -47.6 97.8 69.8 38.4 24.0 303 311 A L - 0 0 42 -13,-2.2 2,-0.4 -2,-0.4 -13,-0.4 -0.487 29.0-117.2 -66.2 129.3 73.0 40.1 24.3 304 312 A P - 0 0 101 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.624 37.0-174.2 -76.4 124.9 75.7 37.4 24.2 305 313 A V + 0 0 29 -2,-0.4 -48,-0.2 -50,-0.2 -47,-0.2 -0.965 26.3 170.6-124.7 130.2 77.7 37.2 27.4 306 314 A D S S- 0 0 115 -2,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.438 75.2 -1.4-111.4 -3.8 80.9 35.1 28.4 307 315 A S S > S- 0 0 45 -50,-0.0 4,-0.9 0, 0.0 -1,-0.2 -0.935 82.4 -87.9-171.7 172.7 81.7 36.8 31.8 308 316 A E H > S+ 0 0 7 -2,-0.2 4,-1.4 2,-0.2 12,-0.2 0.596 123.6 65.3 -69.0 -11.9 80.7 39.5 34.2 309 317 A K H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.996 92.6 54.5 -68.9 -73.1 83.0 41.6 32.0 310 318 A D H > S+ 0 0 48 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.676 108.5 53.3 -31.5 -39.5 80.9 41.4 28.8 311 319 A I H >X S+ 0 0 0 -4,-0.9 4,-1.3 2,-0.2 3,-1.0 0.998 111.9 39.8 -61.9 -69.7 77.9 42.7 30.7 312 320 A F H 3< S+ 0 0 0 -4,-1.4 3,-0.4 1,-0.3 -2,-0.2 0.865 111.0 62.1 -42.3 -52.0 79.5 45.8 32.2 313 321 A D H >< S+ 0 0 75 -4,-2.3 3,-1.9 1,-0.3 -1,-0.3 0.858 100.8 53.1 -41.9 -51.0 81.3 46.3 28.9 314 322 A Y H << S+ 0 0 67 -4,-1.6 -1,-0.3 -3,-1.0 -2,-0.2 0.910 111.5 42.9 -53.1 -51.2 77.9 46.7 27.3 315 323 A I T 3< S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.280 116.7-121.6 -82.7 13.7 76.9 49.4 29.7 316 324 A Q < + 0 0 128 -3,-1.9 2,-0.3 -5,-0.2 -3,-0.2 0.965 62.0 139.2 44.2 82.1 80.3 50.8 29.2 317 325 A W - 0 0 65 -5,-0.2 2,-0.4 3,-0.0 -1,-0.2 -0.941 58.8 -82.0-148.3 170.7 81.4 50.7 32.8 318 326 A K - 0 0 124 -2,-0.3 2,-0.3 1,-0.1 -6,-0.0 -0.599 49.9-111.9 -76.1 124.7 84.2 49.9 35.1 319 327 A Y - 0 0 97 -2,-0.4 2,-0.7 1,-0.1 -1,-0.1 -0.393 35.1-143.5 -62.3 122.1 84.6 46.2 35.9 320 328 A R - 0 0 39 -2,-0.3 -1,-0.1 -12,-0.2 5,-0.1 -0.801 2.4-137.1 -93.6 118.1 83.7 46.0 39.4 321 329 A E > - 0 0 135 -2,-0.7 3,-0.7 1,-0.1 -146,-0.0 -0.373 33.4-111.5 -64.3 148.1 85.6 43.6 41.5 322 330 A P G > S+ 0 0 21 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.782 114.1 62.6 -55.3 -30.5 83.0 41.8 43.6 323 331 A K G > S+ 0 0 130 1,-0.3 3,-0.8 2,-0.1 -148,-0.1 0.935 105.6 45.7 -61.6 -44.2 84.2 43.4 46.8 324 332 A D G < S+ 0 0 61 -3,-0.7 -1,-0.3 1,-0.3 3,-0.1 0.058 83.5 95.0 -87.4 25.1 83.4 46.9 45.5 325 333 A R G < + 0 0 0 -3,-1.4 -1,-0.3 1,-0.1 -55,-0.2 0.378 53.6 111.3 -93.1 2.1 80.1 45.8 44.3 326 334 A S < 0 0 63 -3,-0.8 -56,-0.8 1,-0.2 -57,-0.2 0.906 360.0 360.0 -40.7 -86.2 78.7 47.0 47.6 327 335 A E 0 0 154 -58,-0.2 -1,-0.2 -57,-0.1 -54,-0.1 0.460 360.0 360.0-112.6 360.0 76.7 50.1 46.4