==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 16-MAR-00 1EMJ . COMPND 2 MOLECULE: DNA (5'-D(*TP*GP*TP*(ASU)P*AP*TP*CP*TP*T)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.S.PARIKH,G.WALCHER,G.D.JONES,G.SLUPPHAUG,H.E.KROKAN, . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 0 0 1 0 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 2 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 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 . 1 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 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 82 A M 0 0 237 0, 0.0 2,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 140.6 35.9 10.1 -11.2 2 83 A E - 0 0 135 2,-0.3 4,-0.1 1,-0.0 40,-0.0 -0.777 360.0 -58.7-156.2-160.4 33.1 11.6 -9.1 3 84 A F S S+ 0 0 75 -2,-0.2 2,-0.4 2,-0.1 45,-0.3 0.882 112.1 58.1 -64.0 -43.7 29.9 11.1 -6.9 4 85 A F S S- 0 0 34 43,-0.1 -2,-0.3 44,-0.1 2,-0.1 -0.758 89.4-121.3 -93.2 135.1 27.9 9.3 -9.5 5 86 A G > - 0 0 14 -2,-0.4 4,-2.2 40,-0.3 3,-0.3 -0.442 32.1-107.5 -71.6 147.8 29.2 6.1 -11.1 6 87 A E H > S+ 0 0 145 1,-0.2 4,-1.7 2,-0.2 3,-0.1 0.885 114.7 41.1 -40.0 -61.2 29.6 6.2 -14.9 7 88 A S H > S+ 0 0 15 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.810 114.3 52.6 -63.5 -34.0 26.7 4.0 -15.9 8 89 A W H > S+ 0 0 1 -3,-0.3 4,-1.3 40,-0.3 -1,-0.2 0.885 107.3 50.8 -72.3 -38.0 24.3 5.4 -13.3 9 90 A K H X S+ 0 0 89 -4,-2.2 4,-1.2 1,-0.2 3,-0.3 0.900 108.3 54.8 -64.7 -39.9 24.9 9.1 -14.4 10 91 A K H < S+ 0 0 154 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.855 117.0 34.6 -62.6 -37.4 24.2 8.1 -18.0 11 92 A H H < S+ 0 0 54 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.525 122.1 44.1 -98.5 -8.6 20.8 6.5 -17.2 12 93 A L H >< S+ 0 0 3 -4,-1.3 3,-1.9 -3,-0.3 4,-0.4 0.410 81.7 101.6-113.1 -1.3 19.7 8.9 -14.4 13 94 A S G >X + 0 0 54 -4,-1.2 3,-1.0 1,-0.3 4,-0.5 0.736 67.7 70.1 -54.7 -31.6 20.7 12.2 -16.1 14 95 A G G 34 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.675 93.6 58.9 -63.3 -17.3 17.2 13.1 -17.2 15 96 A E G X4 S+ 0 0 25 -3,-1.9 3,-1.4 1,-0.2 6,-0.4 0.767 88.4 73.3 -83.0 -25.8 16.3 13.8 -13.6 16 97 A F T <4 S+ 0 0 65 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.798 97.8 45.2 -60.1 -37.1 19.0 16.5 -13.1 17 98 A G T 3< S+ 0 0 65 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.364 90.2 110.3 -90.5 4.8 17.2 19.2 -15.1 18 99 A K S X> S- 0 0 86 -3,-1.4 4,-2.1 1,-0.1 3,-0.6 -0.612 75.1-124.9 -83.8 137.9 13.8 18.4 -13.5 19 100 A P H 3> S+ 0 0 94 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.831 107.9 54.6 -47.9 -40.1 12.3 21.0 -11.1 20 101 A Y H 3> S+ 0 0 32 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.889 112.1 43.2 -65.2 -40.2 11.8 18.5 -8.2 21 102 A F H <> S+ 0 0 16 -3,-0.6 4,-2.3 -6,-0.4 -1,-0.2 0.887 112.0 51.7 -73.5 -41.0 15.5 17.5 -8.3 22 103 A I H X S+ 0 0 100 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.934 115.7 43.8 -60.1 -43.3 16.9 21.1 -8.6 23 104 A K H X S+ 0 0 162 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.829 109.5 55.6 -72.8 -32.5 14.8 22.1 -5.6 24 105 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.942 108.6 47.6 -65.6 -45.9 15.7 19.0 -3.6 25 106 A M H X S+ 0 0 60 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.838 109.8 53.8 -64.9 -31.7 19.4 19.7 -3.9 26 107 A G H X S+ 0 0 42 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.908 109.5 48.1 -68.8 -40.4 18.8 23.3 -2.9 27 108 A F H X S+ 0 0 39 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.920 111.1 49.5 -65.1 -49.1 17.0 22.1 0.2 28 109 A V H X S+ 0 0 9 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.913 111.7 49.5 -57.7 -42.9 19.8 19.7 1.2 29 110 A A H X S+ 0 0 38 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.860 111.1 49.5 -65.3 -35.1 22.4 22.5 0.7 30 111 A E H X S+ 0 0 103 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.791 109.0 52.1 -74.3 -31.2 20.3 24.8 2.9 31 112 A E H >X S+ 0 0 17 -4,-1.9 4,-3.4 1,-0.2 3,-1.1 0.907 104.9 56.9 -70.1 -40.0 20.0 22.2 5.6 32 113 A R H 3< S+ 0 0 66 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.683 101.6 57.0 -64.8 -20.7 23.8 21.7 5.5 33 114 A K H 3< S+ 0 0 135 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.702 122.0 24.2 -82.9 -23.2 24.3 25.4 6.3 34 115 A H H << S+ 0 0 133 -3,-1.1 2,-0.2 -4,-0.6 -2,-0.2 0.647 129.0 24.5-112.8 -29.0 22.2 25.3 9.5 35 116 A Y S < S- 0 0 116 -4,-3.4 2,-0.5 -5,-0.1 -1,-0.1 -0.787 81.4 -98.0-131.9 174.6 22.5 21.6 10.5 36 117 A T - 0 0 86 -2,-0.2 94,-2.5 -3,-0.1 2,-0.4 -0.871 42.0-161.5 -96.7 124.3 24.7 18.5 10.2 37 118 A V E -A 129 0A 7 -2,-0.5 92,-0.2 92,-0.2 30,-0.0 -0.937 16.8-105.9-115.1 134.9 23.3 16.3 7.4 38 119 A Y E S+A 128 0A 29 90,-2.7 90,-1.7 -2,-0.4 35,-0.1 -0.865 89.4 27.6-110.0 139.0 24.1 12.6 6.9 39 120 A P S S- 0 0 1 0, 0.0 34,-0.1 0, 0.0 89,-0.1 0.688 94.3-109.2 -81.7 172.4 25.8 11.2 4.8 40 121 A P > - 0 0 49 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.241 40.2 -95.8 -60.0 161.6 28.5 13.8 3.8 41 122 A P G > S+ 0 0 67 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.850 123.2 52.8 -46.1 -44.0 28.1 15.2 0.2 42 123 A H G 3 S+ 0 0 102 1,-0.2 31,-0.0 2,-0.1 3,-0.0 0.519 110.7 47.6 -73.2 -8.1 30.6 12.8 -1.3 43 124 A Q G X S+ 0 0 30 -3,-1.9 3,-0.9 1,-0.1 -1,-0.2 0.295 80.0 93.6-117.5 10.0 28.8 9.8 0.1 44 125 A V T < S+ 0 0 8 -3,-1.1 3,-0.3 -4,-0.4 -2,-0.1 0.859 97.9 35.7 -70.0 -31.2 25.2 10.5 -0.8 45 126 A F T > S+ 0 0 16 -4,-0.3 3,-2.0 1,-0.2 -40,-0.3 -0.024 74.1 122.5-114.3 31.2 25.5 8.5 -4.0 46 127 A T G X + 0 0 12 -3,-0.9 3,-1.9 1,-0.3 4,-0.4 0.785 66.2 72.9 -62.7 -25.4 27.9 5.7 -2.9 47 128 A W G 3 S+ 0 0 7 27,-0.8 -1,-0.3 1,-0.3 4,-0.2 0.547 95.7 52.1 -65.5 -9.7 25.3 3.2 -4.0 48 129 A T G < S+ 0 0 2 -3,-2.0 -40,-0.3 -45,-0.3 -1,-0.3 0.458 100.9 62.2-102.0 -8.5 26.2 4.1 -7.6 49 130 A Q S < S+ 0 0 86 -3,-1.9 -2,-0.2 -4,-0.2 -1,-0.1 0.431 87.7 69.0-101.0 0.8 29.9 3.5 -7.2 50 131 A M S S- 0 0 35 -4,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.772 108.8 -9.3 -92.7 -31.1 30.0 -0.2 -6.4 51 132 A C S S- 0 0 30 -4,-0.2 -1,-0.2 66,-0.1 2,-0.1 -0.955 80.9 -79.7-158.5 167.7 28.9 -1.9 -9.6 52 133 A D > - 0 0 65 -2,-0.3 3,-1.6 1,-0.1 4,-0.2 -0.428 43.2-116.9 -72.3 149.5 27.6 -1.1 -13.1 53 134 A I G > S+ 0 0 0 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.824 113.6 50.1 -58.8 -36.5 23.8 -0.4 -13.3 54 135 A K G 3 S+ 0 0 134 1,-0.2 -1,-0.3 102,-0.0 -2,-0.0 0.352 101.3 64.6 -86.9 7.9 23.0 -3.4 -15.6 55 136 A D G < S+ 0 0 102 -3,-1.6 2,-0.3 64,-0.0 -1,-0.2 0.327 74.1 118.7-105.1 0.9 25.0 -5.7 -13.3 56 137 A V < + 0 0 4 -3,-1.0 63,-0.2 -4,-0.2 62,-0.1 -0.553 27.7 161.5 -71.8 124.8 22.4 -5.1 -10.5 57 138 A K + 0 0 37 61,-3.0 103,-1.6 1,-0.3 2,-0.3 0.664 62.8 30.9-112.4 -38.4 20.8 -8.4 -9.6 58 139 A V E -bc 119 160B 0 60,-2.1 62,-3.0 101,-0.2 2,-0.4 -0.904 61.9-156.9-125.5 150.1 19.3 -7.6 -6.1 59 140 A V E -bc 120 161B 1 101,-2.6 103,-3.5 -2,-0.3 2,-0.6 -0.989 1.7-166.8-130.9 118.6 17.9 -4.4 -4.6 60 141 A I E -bc 121 162B 0 60,-3.2 62,-1.4 -2,-0.4 2,-0.6 -0.955 13.7-165.3-103.4 116.0 17.7 -3.9 -0.8 61 142 A L E +bc 122 163B 1 101,-3.1 103,-2.3 -2,-0.6 62,-0.3 -0.929 10.7 175.2-108.8 120.2 15.5 -0.9 -0.1 62 143 A G E -b 123 0B 0 60,-2.3 62,-2.0 -2,-0.6 63,-0.1 -0.420 37.1-104.1-105.4-169.0 15.6 0.7 3.3 63 144 A Q S S- 0 0 44 1,-0.3 62,-1.8 60,-0.2 61,-0.2 0.983 77.0 -39.9 -82.1 -73.2 13.9 3.8 4.8 64 145 A D S S- 0 0 20 60,-0.2 -1,-0.3 59,-0.1 62,-0.2 -0.913 73.4 -70.2-151.0 169.9 16.5 6.6 5.1 65 146 A P - 0 0 10 0, 0.0 69,-0.3 0, 0.0 2,-0.1 -0.137 61.0 -81.8 -64.8 166.1 20.3 6.9 6.2 66 147 A Y - 0 0 31 12,-0.2 6,-0.4 1,-0.1 5,-0.1 -0.426 35.6-149.8 -65.9 141.7 21.6 6.4 9.7 67 148 A H + 0 0 76 -3,-0.1 64,-2.7 -2,-0.1 -1,-0.1 0.191 64.3 88.5-102.2 13.7 21.2 9.6 11.8 68 149 A G S >> S- 0 0 10 62,-0.2 3,-1.2 1,-0.1 4,-0.5 -0.763 89.6 -75.6-108.8 159.5 24.1 9.4 14.2 69 150 A P T 34 S- 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.191 108.4 -0.5 -57.8 138.0 27.7 10.7 13.6 70 151 A N T 34 S+ 0 0 122 2,-0.1 10,-0.2 1,-0.1 13,-0.2 0.630 107.0 101.2 57.7 24.6 30.1 8.7 11.3 71 152 A Q T <4 + 0 0 47 -3,-1.2 9,-0.4 -5,-0.1 2,-0.1 0.914 58.5 63.1 -97.4 -69.6 27.5 6.1 10.5 72 153 A A < + 0 0 10 -4,-0.5 7,-0.1 -6,-0.4 -2,-0.1 -0.359 45.3 164.1 -64.3 131.1 25.7 6.6 7.1 73 154 A H - 0 0 4 2,-0.4 -1,-0.1 5,-0.4 -27,-0.1 0.173 66.8 -82.8-135.6 22.2 28.0 6.4 4.0 74 155 A G S S+ 0 0 14 1,-0.2 -27,-0.8 4,-0.1 2,-0.5 0.501 102.9 96.7 93.4 -0.2 25.6 6.0 1.1 75 156 A L S > S- 0 0 5 3,-0.2 3,-1.6 -29,-0.1 -2,-0.4 -0.999 84.1-108.3-121.4 123.4 24.9 2.2 1.3 76 157 A C T 3 S- 0 0 1 45,-2.0 3,-0.1 -2,-0.5 46,-0.1 -0.294 96.9 -0.5 -55.9 132.1 21.8 1.3 3.2 77 158 A F T 3 S+ 0 0 12 1,-0.2 -1,-0.2 33,-0.0 2,-0.2 0.267 105.2 124.7 70.1 -0.7 22.4 -0.3 6.6 78 159 A S < - 0 0 0 -3,-1.6 -5,-0.4 43,-0.1 2,-0.3 -0.483 38.0-173.9 -93.3 151.2 26.2 -0.1 6.2 79 160 A V - 0 0 0 30,-1.4 30,-0.5 -2,-0.2 -7,-0.1 -0.976 22.2-128.8-142.6 129.5 28.9 1.5 8.3 80 161 A Q > - 0 0 80 -9,-0.4 3,-1.3 -2,-0.3 0, 0.0 -0.394 50.8 -53.1 -75.0 154.5 32.6 1.8 7.5 81 162 A R T 3 S+ 0 0 147 1,-0.3 -1,-0.1 -2,-0.1 27,-0.1 -0.355 118.5 22.8 -62.6 146.3 35.4 0.6 9.8 82 163 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.937 97.9 99.3 -91.9 10.6 36.0 1.3 12.8 83 164 A V S < S- 0 0 23 -3,-1.3 26,-0.5 -13,-0.2 -4,-0.1 -0.405 75.4-123.4 -62.1 123.5 32.3 2.2 13.4 84 165 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.326 35.2 -86.2 -69.0 150.5 30.4 -0.7 15.1 85 166 A P - 0 0 19 0, 0.0 -7,-0.1 0, 0.0 25,-0.0 -0.419 49.0-127.8 -58.1 124.8 27.3 -2.2 13.4 86 167 A P >> - 0 0 7 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.246 34.7 -87.1 -68.8 165.3 24.2 -0.1 14.6 87 168 A P H 3> S+ 0 0 82 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.819 127.2 53.3 -42.2 -41.1 21.2 -1.9 16.1 88 169 A S H 3> S+ 0 0 13 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.907 110.5 46.2 -64.1 -42.8 19.5 -2.5 12.7 89 170 A L H <> S+ 0 0 0 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.832 106.6 57.4 -71.0 -33.2 22.6 -4.2 11.2 90 171 A E H X S+ 0 0 61 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.891 108.9 48.2 -64.6 -33.5 23.1 -6.4 14.3 91 172 A N H X S+ 0 0 16 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.846 108.8 52.7 -74.9 -33.4 19.6 -7.7 13.6 92 173 A I H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.936 110.1 48.9 -65.7 -44.1 20.3 -8.2 9.9 93 174 A Y H X S+ 0 0 5 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.810 109.2 52.8 -64.7 -32.7 23.4 -10.3 10.9 94 175 A K H X S+ 0 0 123 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.870 111.2 45.6 -70.7 -38.3 21.3 -12.3 13.3 95 176 A E H X S+ 0 0 3 -4,-1.8 4,-2.0 2,-0.2 3,-0.3 0.917 111.4 53.0 -71.1 -40.0 18.7 -13.1 10.6 96 177 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 7,-0.3 0.830 106.1 54.7 -63.0 -32.8 21.6 -14.0 8.2 97 178 A S H < S+ 0 0 64 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.845 113.8 39.3 -70.9 -35.3 23.0 -16.4 10.8 98 179 A T H < S+ 0 0 104 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.728 122.7 43.1 -85.7 -23.7 19.7 -18.3 11.2 99 180 A D H < S+ 0 0 9 -4,-2.0 2,-0.6 1,-0.2 -2,-0.2 0.873 114.0 45.7 -87.9 -47.5 19.0 -18.1 7.4 100 181 A I S >< S- 0 0 34 -4,-2.8 3,-0.8 -5,-0.2 -1,-0.2 -0.929 71.3-150.5-106.7 119.7 22.4 -18.9 5.9 101 182 A E T 3 S+ 0 0 195 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.847 94.8 45.4 -55.7 -40.9 24.2 -21.9 7.5 102 183 A D T 3 S+ 0 0 114 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.646 87.6 110.6 -81.6 -16.0 27.8 -20.5 6.7 103 184 A F < + 0 0 4 -3,-0.8 2,-0.3 -7,-0.3 -3,-0.1 -0.437 36.4 165.8 -71.1 128.4 27.1 -16.9 7.9 104 185 A V - 0 0 90 -2,-0.3 -2,-0.0 117,-0.1 -10,-0.0 -0.861 52.3 -76.4-130.5 161.2 28.8 -15.7 11.1 105 186 A H - 0 0 85 -2,-0.3 -15,-0.0 1,-0.1 116,-0.0 -0.459 39.5-148.0 -62.2 122.4 29.2 -12.1 12.3 106 187 A P - 0 0 46 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.519 31.1-118.1 -72.4 -7.8 32.0 -10.5 10.2 107 188 A G S S+ 0 0 68 1,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.561 88.5 55.3 82.0 8.2 33.3 -8.2 13.0 108 189 A H S S- 0 0 23 -24,-0.1 -1,-0.2 2,-0.1 -28,-0.1 -0.931 74.9-128.9-156.4 174.5 32.5 -5.0 11.1 109 190 A G + 0 0 0 -26,-0.5 -30,-1.4 -30,-0.5 2,-0.6 0.311 56.8 128.3-119.3 10.3 29.6 -3.4 9.3 110 191 A D - 0 0 19 -32,-0.2 3,-0.5 1,-0.1 -30,-0.1 -0.575 32.2-174.9 -74.1 113.2 30.8 -2.5 5.9 111 192 A L >> + 0 0 1 -2,-0.6 4,-1.6 1,-0.2 3,-1.2 0.217 51.4 112.0 -94.3 17.1 28.4 -3.9 3.3 112 193 A S H 3> + 0 0 23 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.830 69.3 65.7 -56.3 -34.7 30.5 -2.9 0.2 113 194 A G H 34 S+ 0 0 11 -3,-0.5 4,-0.5 1,-0.2 -1,-0.3 0.821 103.5 44.2 -59.6 -34.5 31.1 -6.6 -0.4 114 195 A W H X4>S+ 0 0 1 -3,-1.2 5,-1.4 2,-0.2 3,-1.0 0.902 111.1 54.4 -75.9 -42.8 27.4 -7.2 -1.2 115 196 A A H ><5S+ 0 0 3 -4,-1.6 3,-1.1 1,-0.3 -2,-0.2 0.833 102.6 56.4 -60.7 -34.2 27.2 -4.1 -3.3 116 197 A K T 3<5S+ 0 0 137 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.712 102.5 58.0 -70.5 -21.4 30.1 -5.2 -5.5 117 198 A Q T < 5S- 0 0 28 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.474 131.8 -87.9 -86.8 -6.5 28.2 -8.4 -6.3 118 199 A G T < 5S+ 0 0 1 -3,-1.1 -61,-3.0 -4,-0.3 -60,-2.1 0.654 82.5 137.3 107.6 18.6 25.3 -6.5 -7.7 119 200 A V E < -b 58 0B 0 -5,-1.4 2,-0.5 -62,-0.2 -1,-0.2 -0.876 47.3-143.6 -98.5 104.9 23.2 -5.9 -4.6 120 201 A L E -b 59 0B 4 -62,-3.0 -60,-3.2 -2,-0.8 2,-1.0 -0.571 7.5-156.8 -70.2 117.9 21.9 -2.2 -4.8 121 202 A L E +b 60 0B 2 -2,-0.5 -45,-2.0 -62,-0.2 2,-0.2 -0.628 31.7 161.1 -99.5 76.7 21.9 -0.9 -1.3 122 203 A L E -b 61 0B 1 -62,-1.4 -60,-2.3 -2,-1.0 2,-0.3 -0.578 31.1-153.8-101.6 154.0 19.4 1.9 -1.6 123 204 A N E -b 62 0B 10 -62,-0.3 -60,-0.2 -2,-0.2 -59,-0.1 -0.932 26.0-126.9-120.3 147.7 17.2 3.9 0.8 124 205 A A S S+ 0 0 2 -62,-2.0 2,-0.4 -2,-0.3 21,-0.4 0.886 105.7 36.4 -61.4 -35.9 13.9 5.6 -0.3 125 206 A V S S- 0 0 2 -62,-1.8 -1,-0.2 -63,-0.1 12,-0.1 -0.956 74.2-159.5-119.5 131.3 15.3 8.9 1.1 126 207 A L + 0 0 7 -2,-0.4 2,-0.3 -62,-0.2 -62,-0.1 0.411 67.6 38.6 -96.5 -1.8 19.0 9.6 0.6 127 208 A T - 0 0 0 9,-0.1 9,-0.4 -62,-0.1 2,-0.3 -0.948 58.7-170.4-140.6 163.2 19.8 12.3 3.3 128 209 A V E -A 38 0A 0 -90,-1.7 -90,-2.7 -2,-0.3 2,-0.3 -0.985 26.9-115.9-155.3 144.8 18.7 12.9 6.9 129 210 A R E > -A 37 0A 50 3,-0.5 3,-1.8 -2,-0.3 6,-0.3 -0.683 56.3 -83.5 -82.4 138.4 19.1 15.7 9.4 130 211 A A T 3 S- 0 0 15 -94,-2.5 -62,-0.2 -2,-0.3 -1,-0.1 -0.058 106.7 -1.7 -45.5 133.2 21.2 14.7 12.5 131 212 A H T 3 S+ 0 0 139 -64,-2.7 2,-0.5 1,-0.1 -1,-0.2 0.456 109.0 101.4 62.5 8.0 19.4 12.8 15.3 132 213 A Q X - 0 0 93 -3,-1.8 3,-1.6 -65,-0.1 -3,-0.5 -0.818 65.7-144.2-127.7 93.1 16.0 13.0 13.5 133 214 A A T 3 S+ 0 0 58 -2,-0.5 -67,-0.1 1,-0.3 -5,-0.1 -0.269 82.6 2.5 -57.3 132.1 14.9 9.9 11.6 134 215 A N T > S+ 0 0 16 -69,-0.3 3,-1.5 1,-0.1 -1,-0.3 0.600 84.5 139.8 63.8 20.8 13.0 10.4 8.4 135 216 A S T < + 0 0 32 -3,-1.6 -7,-0.1 1,-0.3 -2,-0.1 0.699 69.7 49.1 -64.3 -24.4 13.5 14.2 8.6 136 217 A H T > S+ 0 0 0 -9,-0.4 3,-0.6 -4,-0.2 5,-0.4 0.135 83.3 126.1-104.3 20.4 14.2 14.6 4.9 137 218 A K T < + 0 0 64 -3,-1.5 -12,-0.0 1,-0.2 -73,-0.0 -0.349 67.7 21.0 -75.0 158.0 11.2 12.5 3.6 138 219 A E T 3 S+ 0 0 154 1,-0.1 -1,-0.2 -2,-0.1 -13,-0.0 0.770 91.2 108.2 53.5 34.9 8.7 13.9 1.1 139 220 A R S < S- 0 0 141 -3,-0.6 -112,-0.1 -115,-0.0 -2,-0.1 0.436 104.9 -73.2-113.6 -8.7 11.2 16.6 -0.1 140 221 A G S > S+ 0 0 13 -4,-0.1 4,-1.4 -116,-0.1 3,-0.3 0.160 107.8 102.3 135.6 -18.1 11.9 15.0 -3.5 141 222 A W H > S+ 0 0 2 -5,-0.4 4,-2.9 1,-0.2 5,-0.2 0.853 78.7 59.0 -63.0 -34.9 14.1 12.0 -2.8 142 223 A E H > S+ 0 0 42 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.862 104.9 49.4 -64.3 -35.5 11.2 9.6 -3.2 143 224 A Q H > S+ 0 0 98 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.872 112.7 48.0 -73.2 -33.3 10.7 10.7 -6.8 144 225 A F H X S+ 0 0 0 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.933 114.1 44.8 -70.9 -45.7 14.4 10.3 -7.6 145 226 A T H X S+ 0 0 0 -4,-2.9 4,-1.9 -21,-0.4 -1,-0.2 0.742 108.7 58.3 -70.7 -20.1 14.6 6.9 -6.0 146 227 A D H X S+ 0 0 64 -4,-1.4 4,-2.7 -5,-0.2 -1,-0.2 0.854 103.8 53.2 -72.3 -36.0 11.3 6.0 -7.9 147 228 A A H X S+ 0 0 19 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.839 108.5 49.2 -66.0 -35.5 13.2 6.8 -11.1 148 229 A V H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.926 114.6 43.8 -68.7 -47.7 16.0 4.4 -10.1 149 230 A V H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.892 113.5 52.1 -65.6 -39.4 13.5 1.6 -9.3 150 231 A S H X S+ 0 0 57 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.896 108.0 50.8 -64.9 -42.1 11.6 2.4 -12.5 151 232 A W H X S+ 0 0 41 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.925 113.3 45.2 -61.2 -48.3 14.7 2.2 -14.7 152 233 A L H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.875 111.7 53.0 -62.9 -38.7 15.6 -1.2 -13.2 153 234 A N H < S+ 0 0 21 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.920 116.9 38.3 -62.6 -44.2 12.0 -2.4 -13.5 154 235 A Q H < S+ 0 0 132 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.848 121.7 38.4 -76.4 -41.9 11.9 -1.5 -17.3 155 236 A N H < S+ 0 0 96 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.2 0.358 111.8 55.9 -97.1 4.0 15.4 -2.4 -18.5 156 237 A S < - 0 0 20 -4,-1.0 2,-0.4 -3,-0.2 3,-0.1 -0.844 63.1-145.7-131.1 169.9 16.0 -5.6 -16.5 157 238 A N S S+ 0 0 112 -2,-0.3 23,-0.2 1,-0.1 -3,-0.1 -0.999 72.5 11.6-141.6 132.9 14.4 -9.0 -16.0 158 239 A G S S+ 0 0 5 21,-2.3 22,-0.2 -2,-0.4 2,-0.1 0.785 75.3 161.8 75.9 31.7 14.2 -11.3 -13.0 159 240 A L - 0 0 0 20,-0.2 22,-3.2 -7,-0.1 2,-0.6 -0.435 35.5-132.5 -81.0 155.9 15.5 -8.9 -10.2 160 241 A V E -cd 58 181B 0 -103,-1.6 -101,-2.6 20,-0.2 2,-0.6 -0.954 18.4-163.7-113.6 112.8 14.8 -9.5 -6.5 161 242 A F E -cd 59 182B 2 20,-3.2 22,-3.2 -2,-0.6 2,-0.7 -0.880 3.2-163.2 -99.2 121.1 13.6 -6.4 -4.6 162 243 A L E -cd 60 183B 0 -103,-3.5 -101,-3.1 -2,-0.6 2,-0.8 -0.917 8.1-167.9-105.8 101.3 13.9 -6.6 -0.8 163 244 A L E -cd 61 184B 0 20,-2.9 22,-1.7 -2,-0.7 2,-0.7 -0.822 3.7-170.8 -98.1 101.2 11.6 -3.9 0.6 164 245 A W E + d 0 185B 1 -103,-2.3 4,-0.3 -2,-0.8 22,-0.2 -0.825 50.6 1.1 -99.8 108.0 12.3 -3.4 4.3 165 246 A G S > S- 0 0 5 20,-2.4 4,-2.0 -2,-0.7 3,-0.1 -0.054 89.3 -74.1 103.1 159.2 9.8 -1.2 6.2 166 247 A S H > S+ 0 0 91 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.878 127.7 48.0 -55.8 -45.6 6.6 0.8 5.4 167 248 A Y H >4 S+ 0 0 73 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.869 111.7 48.8 -68.6 -33.7 8.4 3.6 3.5 168 249 A A H >4 S+ 0 0 0 -4,-0.3 3,-1.4 1,-0.2 -1,-0.2 0.860 104.9 62.2 -72.0 -33.4 10.5 1.2 1.4 169 250 A Q H >< S+ 0 0 59 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.626 81.8 79.2 -68.1 -15.1 7.2 -0.7 0.6 170 251 A K G X< S+ 0 0 145 -3,-0.7 3,-0.6 -4,-0.5 -1,-0.3 0.702 85.3 63.7 -66.4 -20.8 5.7 2.4 -1.1 171 252 A K G X S+ 0 0 5 -3,-1.4 3,-1.6 -4,-0.2 -1,-0.3 0.431 73.0 95.9 -85.0 2.5 7.8 1.5 -4.2 172 253 A G G X S+ 0 0 1 -3,-1.7 3,-1.4 1,-0.3 -1,-0.2 0.872 79.6 56.2 -59.3 -37.4 5.9 -1.8 -4.6 173 254 A S G < S+ 0 0 118 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.496 98.7 62.1 -74.9 -4.7 3.6 -0.3 -7.2 174 255 A A G < S+ 0 0 31 -3,-1.6 2,-0.4 2,-0.0 -1,-0.3 0.378 95.0 76.4 -98.9 -0.2 6.6 0.8 -9.3 175 256 A I S < S- 0 0 10 -3,-1.4 2,-0.8 -4,-0.2 -25,-0.1 -0.951 82.2-126.1-118.1 134.0 7.6 -2.8 -9.8 176 257 A D >> - 0 0 59 -2,-0.4 4,-1.6 1,-0.2 3,-0.7 -0.678 20.5-156.9 -76.7 111.0 6.0 -5.4 -12.2 177 258 A R T 34 S+ 0 0 128 -2,-0.8 5,-0.2 1,-0.2 -1,-0.2 0.544 88.7 51.9 -68.6 -10.9 5.3 -8.3 -9.8 178 259 A K T 34 S+ 0 0 196 3,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.636 114.2 39.7 -98.9 -21.6 5.3 -10.8 -12.6 179 260 A R T <4 S+ 0 0 75 -3,-0.7 -21,-2.3 1,-0.1 2,-0.3 0.612 123.1 33.7 -99.7 -22.7 8.7 -9.8 -14.2 180 261 A H S < S- 0 0 1 -4,-1.6 2,-0.6 -22,-0.2 -20,-0.2 -0.916 81.8-114.6-131.0 160.3 10.6 -9.3 -10.9 181 262 A H E -d 160 0B 63 -22,-3.2 -20,-3.2 -2,-0.3 2,-0.6 -0.869 26.7-165.0-101.6 120.2 10.5 -10.9 -7.5 182 263 A V E -d 161 0B 29 -2,-0.6 2,-0.5 -5,-0.2 -20,-0.2 -0.931 5.0-174.2-111.7 116.0 9.3 -8.6 -4.6 183 264 A L E -d 162 0B 27 -22,-3.2 -20,-2.9 -2,-0.6 2,-0.4 -0.935 8.7-169.5-108.4 127.1 10.0 -9.7 -1.0 184 265 A Q E +d 163 0B 80 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.980 16.9 142.7-126.3 132.1 8.5 -7.5 1.7 185 266 A T E -d 164 0B 15 -22,-1.7 -20,-2.4 -2,-0.4 11,-0.1 -0.929 49.5 -68.6-152.4 175.5 9.0 -7.5 5.5 186 267 A A - 0 0 18 -2,-0.3 14,-0.1 -22,-0.2 6,-0.1 -0.263 60.2 -87.9 -70.6 156.8 9.3 -5.2 8.5 187 268 A H - 0 0 27 -23,-0.2 8,-0.2 1,-0.1 10,-0.2 -0.378 33.5-125.8 -64.0 137.5 12.3 -2.8 9.0 188 269 A P S S+ 0 0 0 0, 0.0 -97,-0.1 0, 0.0 5,-0.1 0.549 72.5 119.3 -64.7 -7.2 15.2 -4.5 10.9 189 270 A S S >> S- 0 0 27 1,-0.1 3,-2.8 3,-0.1 4,-2.6 -0.266 80.1-114.5 -57.0 142.5 15.3 -1.7 13.6 190 271 A P T 34 S+ 0 0 64 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.801 116.2 64.3 -50.7 -28.0 14.6 -3.0 17.2 191 272 A L T 34 S+ 0 0 144 1,-0.2 -2,-0.1 2,-0.1 -4,-0.0 0.530 123.2 12.9 -74.0 -7.1 11.4 -1.0 17.1 192 273 A S T X4 S+ 0 0 22 -3,-2.8 3,-2.2 -5,-0.2 5,-0.4 0.462 94.3 101.5-144.7 -14.0 10.0 -3.1 14.3 193 274 A V G >X>S+ 0 0 10 -4,-2.6 5,-1.6 1,-0.3 3,-0.8 0.788 79.0 59.9 -49.1 -37.3 12.2 -6.3 13.9 194 275 A Y G 345S+ 0 0 157 -4,-0.4 -1,-0.3 1,-0.2 -3,-0.1 0.513 87.4 78.8 -72.5 -8.1 9.7 -8.5 15.7 195 276 A R G <45S- 0 0 180 -3,-2.2 -1,-0.2 -8,-0.2 -2,-0.1 0.146 128.8 -52.0 -88.8 16.9 7.0 -7.8 13.1 196 277 A G T <45S+ 0 0 31 -3,-0.8 4,-0.2 -11,-0.1 -2,-0.2 0.167 113.4 97.1 139.1 -24.8 8.3 -10.1 10.5 197 278 A F T ><5S+ 0 0 0 -4,-0.7 3,-1.8 -5,-0.4 2,-0.5 0.926 75.2 70.2 -60.3 -49.5 12.0 -9.4 9.9 198 279 A F T 3 + 0 0 117 -4,-0.4 4,-1.9 1,-0.1 3,-0.3 0.750 32.8 154.4 51.7 36.6 14.5 -15.6 5.4 202 283 A H H > + 0 0 9 -5,-0.2 4,-1.8 1,-0.2 5,-0.1 0.770 63.3 58.4 -62.7 -27.9 15.0 -13.1 2.6 203 284 A F H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.909 110.1 38.5 -74.2 -41.6 18.7 -14.0 2.0 204 285 A S H > S+ 0 0 15 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.882 116.5 53.6 -74.7 -37.9 18.2 -17.7 1.2 205 286 A K H X S+ 0 0 94 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.870 105.4 53.4 -63.5 -38.6 15.1 -16.9 -0.8 206 287 A T H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.925 110.1 47.7 -61.7 -47.0 16.9 -14.3 -2.9 207 288 A N H X S+ 0 0 25 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.802 111.8 50.1 -65.0 -32.3 19.6 -16.9 -3.8 208 289 A E H X S+ 0 0 112 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.907 112.0 46.5 -73.2 -43.0 16.9 -19.5 -4.7 209 290 A L H X S+ 0 0 27 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.767 110.7 54.2 -70.5 -26.5 15.0 -17.1 -7.0 210 291 A L H ><>S+ 0 0 0 -4,-1.7 5,-2.5 2,-0.2 3,-0.7 0.906 106.9 49.8 -73.0 -43.2 18.2 -16.0 -8.6 211 292 A Q H 3<5S+ 0 0 122 -4,-1.6 3,-0.4 1,-0.2 -2,-0.2 0.730 106.5 56.9 -68.3 -22.8 19.2 -19.6 -9.5 212 293 A K H 3<5S+ 0 0 163 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.714 106.5 49.0 -79.8 -23.2 15.7 -20.1 -11.0 213 294 A S T <<5S- 0 0 55 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.370 122.8-108.0 -94.4 0.2 16.3 -17.2 -13.3 214 295 A G T 5S+ 0 0 71 -3,-0.4 -3,-0.2 1,-0.3 2,-0.2 0.545 76.9 131.2 84.1 9.8 19.7 -18.7 -14.3 215 296 A K < - 0 0 63 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.546 64.3 -98.0 -94.9 160.2 21.7 -16.1 -12.4 216 297 A K - 0 0 152 -2,-0.2 -1,-0.1 1,-0.1 2,-0.0 -0.500 44.2-114.5 -74.8 137.8 24.6 -16.6 -10.0 217 298 A P - 0 0 45 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.277 27.2-103.9 -72.8 163.1 23.7 -16.4 -6.3 218 299 A I - 0 0 3 -15,-0.2 2,-1.0 -100,-0.0 -11,-0.1 -0.770 21.1-141.0 -89.6 127.8 24.8 -13.8 -3.8 219 300 A D > - 0 0 79 -2,-0.5 3,-0.9 1,-0.2 -102,-0.1 -0.809 17.2-171.7 -88.1 101.3 27.6 -14.8 -1.4 220 301 A W T 3 S+ 0 0 4 -2,-1.0 -1,-0.2 1,-0.2 -106,-0.1 0.662 81.8 59.6 -70.3 -15.1 26.3 -13.0 1.7 221 302 A K T 3 S+ 0 0 105 1,-0.1 2,-1.8 -3,-0.1 -1,-0.2 0.600 75.8 101.1 -88.7 -12.9 29.5 -13.9 3.6 222 303 A E < 0 0 96 -3,-0.9 -105,-0.1 -109,-0.1 -1,-0.1 -0.554 360.0 360.0 -77.8 82.7 31.7 -12.1 1.0 223 304 A L 0 0 56 -2,-1.8 -112,-0.1 -110,-0.1 -2,-0.0 -0.840 360.0 360.0-130.0 360.0 32.2 -8.9 3.1