==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDYLTRANSFERASE 19-APR-96 1ZQV . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.PELLETIER,M.R.SAWAYA . 242 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13022.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 9.9 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 0.8 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 0.4 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 . 9 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 2 1 2 0 0 0 2 0 0 0 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 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 . 2 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 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 91 A D >> 0 0 112 0, 0.0 3,-2.1 0, 0.0 4,-1.6 0.000 360.0 360.0 360.0-160.1 24.2 47.5 8.6 2 92 A D T 34 + 0 0 90 1,-0.3 0, 0.0 2,-0.2 0, 0.0 0.418 360.0 55.8 -57.1 -1.3 23.2 47.9 12.3 3 93 A T T >> S+ 0 0 85 2,-0.2 4,-1.1 3,-0.1 3,-0.9 0.672 101.6 51.9 -98.6 -34.6 19.7 47.1 10.9 4 94 A S H <> S+ 0 0 50 -3,-2.1 4,-1.8 1,-0.3 -2,-0.2 0.702 95.6 73.1 -71.2 -23.2 21.1 43.9 9.4 5 95 A S H 3X S+ 0 0 69 -4,-1.6 4,-1.5 2,-0.2 -1,-0.3 0.882 95.9 50.7 -56.5 -37.7 22.1 43.7 12.9 6 96 A S H X> S+ 0 0 19 -3,-0.9 4,-2.5 2,-0.2 3,-1.0 0.984 103.7 50.3 -65.0 -64.4 18.4 43.0 13.4 7 97 A I H 3X S+ 0 0 43 -4,-1.1 4,-1.4 1,-0.3 -1,-0.2 0.797 112.8 53.7 -45.2 -31.8 17.8 40.2 10.9 8 98 A N H 3< S+ 0 0 103 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.933 112.3 41.2 -71.7 -43.3 20.7 38.6 12.5 9 99 A F H X< S+ 0 0 48 -4,-1.5 3,-2.2 -3,-1.0 4,-0.5 0.947 113.5 50.4 -68.3 -54.6 19.2 38.9 16.0 10 100 A L H >< S+ 0 0 0 -4,-2.5 3,-2.9 1,-0.3 6,-0.2 0.916 103.5 60.2 -49.7 -47.5 15.7 37.9 15.2 11 101 A T T 3< S+ 0 0 58 -4,-1.4 -1,-0.3 -5,-0.4 -2,-0.2 0.705 87.8 73.9 -58.8 -14.8 16.9 34.9 13.5 12 102 A R T < S+ 0 0 125 -3,-2.2 -1,-0.3 -4,-0.2 2,-0.3 0.901 83.0 85.0 -64.6 -32.8 18.4 34.0 16.7 13 103 A V S X S- 0 0 2 -3,-2.9 3,-2.2 -4,-0.5 37,-0.1 -0.534 90.7-112.7 -73.1 126.2 14.7 33.2 17.8 14 104 A T T 3 S+ 0 0 44 -2,-0.3 2,-0.6 1,-0.3 36,-0.2 0.084 102.6 26.1 -49.3 162.1 13.5 29.7 16.8 15 105 A G T 3 S+ 0 0 30 1,-0.2 2,-1.1 34,-0.1 -1,-0.3 0.253 94.3 116.1 65.7 -25.8 10.8 29.5 14.2 16 106 A I < - 0 0 7 -3,-2.2 -1,-0.2 -2,-0.6 -3,-0.0 -0.628 47.6-172.7 -83.5 102.1 12.1 32.9 12.9 17 107 A G > - 0 0 25 -2,-1.1 4,-3.6 1,-0.1 5,-0.1 -0.179 35.5-103.0 -78.5 179.3 13.4 32.2 9.4 18 108 A P H > S+ 0 0 87 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.962 123.7 34.6 -68.2 -55.9 15.3 34.8 7.2 19 109 A S H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.911 122.6 51.2 -64.4 -38.9 12.5 35.8 4.9 20 110 A A H > S+ 0 0 24 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.952 113.5 42.9 -60.3 -51.2 10.2 35.3 7.9 21 111 A A H X S+ 0 0 0 -4,-3.6 4,-0.6 1,-0.2 -1,-0.2 0.766 106.1 66.6 -66.8 -25.8 12.5 37.5 10.0 22 112 A R H >X S+ 0 0 160 -4,-2.0 4,-1.2 1,-0.2 3,-1.0 0.914 98.9 48.6 -62.7 -45.0 12.7 39.8 7.0 23 113 A K H >X S+ 0 0 92 -4,-1.8 4,-1.9 -3,-0.3 3,-0.5 0.919 101.0 62.3 -63.3 -43.5 9.1 40.8 7.3 24 114 A L H 3<>S+ 0 0 7 -4,-1.3 5,-2.9 1,-0.3 -1,-0.3 0.734 103.3 54.4 -54.4 -19.6 9.2 41.5 11.0 25 115 A V H X<5S+ 0 0 30 -3,-1.0 3,-1.0 -4,-0.6 -1,-0.3 0.885 104.7 50.6 -80.3 -42.2 11.7 44.1 10.0 26 116 A D H <<5S+ 0 0 144 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.1 0.821 106.2 54.8 -64.2 -34.1 9.5 45.9 7.5 27 117 A E T 3<5S- 0 0 161 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.586 126.2-106.3 -74.3 -12.8 6.7 46.1 9.9 28 118 A G T < 5S+ 0 0 44 -3,-1.0 2,-0.6 1,-0.3 -3,-0.2 0.639 72.8 144.5 94.4 17.0 9.2 47.8 12.1 29 119 A I < + 0 0 9 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.818 12.7 141.8 -88.8 120.4 9.7 44.8 14.6 30 120 A K + 0 0 103 -2,-0.6 -20,-0.2 -3,-0.1 -1,-0.2 0.672 48.7 42.2-126.1 -64.2 13.5 44.8 15.6 31 121 A T S > S- 0 0 67 1,-0.1 4,-1.2 -22,-0.1 -1,-0.1 -0.143 85.3-107.5 -79.6-174.5 14.4 44.0 19.1 32 122 A L H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.866 123.7 60.7 -80.6 -32.0 12.9 41.1 21.1 33 123 A E H > S+ 0 0 49 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.794 103.1 54.3 -58.6 -25.9 11.1 43.7 23.2 34 124 A D H 4 S+ 0 0 47 2,-0.2 -1,-0.3 3,-0.1 -2,-0.2 0.899 109.3 47.4 -71.1 -43.6 9.6 44.5 19.7 35 125 A L H >< S+ 0 0 2 -4,-1.2 3,-2.4 1,-0.2 -2,-0.2 0.984 106.8 55.1 -54.4 -73.7 8.7 40.9 19.5 36 126 A R H >< S+ 0 0 100 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.694 105.4 52.5 -25.6 -53.8 7.1 40.7 22.9 37 127 A K T 3< S+ 0 0 151 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.145 114.8 46.5 -77.1 21.8 4.8 43.6 22.1 38 128 A N T X + 0 0 63 -3,-2.4 3,-2.9 2,-0.1 4,-0.5 0.110 54.0 136.0-154.1 37.6 3.7 41.7 19.0 39 129 A E G X S+ 0 0 103 -3,-1.0 3,-3.0 1,-0.3 -2,-0.1 0.881 74.2 72.8 -53.3 -34.6 3.0 38.1 19.7 40 130 A D G 3 S+ 0 0 148 1,-0.3 -1,-0.3 7,-0.0 -2,-0.1 0.704 92.6 53.6 -51.7 -20.5 0.0 38.8 17.6 41 131 A K G < S+ 0 0 53 -3,-2.9 2,-0.4 -6,-0.2 -1,-0.3 0.619 99.8 82.9 -89.3 -14.8 2.5 38.8 14.6 42 132 A L S < S- 0 0 19 -3,-3.0 -3,-0.0 -4,-0.5 -7,-0.0 -0.734 71.5-135.7 -98.8 139.2 3.9 35.5 15.5 43 133 A N > - 0 0 84 -2,-0.4 4,-1.6 1,-0.1 -1,-0.1 -0.108 48.0 -87.6 -72.8-174.5 2.7 32.1 14.8 44 134 A H H > S+ 0 0 94 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.782 125.6 54.8 -65.9 -26.6 2.8 29.5 17.6 45 135 A H H > S+ 0 0 35 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.988 108.5 42.6 -69.7 -61.4 6.3 28.6 16.9 46 136 A Q H > S+ 0 0 9 1,-0.2 4,-2.5 -31,-0.2 5,-0.3 0.829 114.2 59.1 -55.6 -31.3 8.0 31.9 17.0 47 137 A R H X S+ 0 0 87 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.962 105.3 43.0 -67.5 -50.3 5.8 32.4 20.1 48 138 A I H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.939 113.0 57.3 -59.6 -41.6 7.2 29.5 22.1 49 139 A G H >< S+ 0 0 1 -4,-2.7 3,-0.7 1,-0.3 -2,-0.2 0.937 106.4 44.5 -48.4 -62.0 10.6 30.5 20.9 50 140 A L H >< S+ 0 0 11 -4,-2.5 3,-1.1 1,-0.3 -1,-0.3 0.796 109.1 63.4 -56.2 -25.0 10.4 34.1 22.3 51 141 A K H 3< S+ 0 0 117 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.968 115.4 26.3 -61.6 -49.4 9.0 32.4 25.3 52 142 A Y T > S+ 0 0 98 -4,-0.2 3,-1.7 -3,-0.2 4,-0.6 0.950 115.0 43.0 -53.0 -87.5 16.9 32.5 27.3 55 145 A D G >4 S+ 0 0 35 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.730 103.2 72.7 -27.4 -46.4 16.8 28.8 28.1 56 146 A F G 3< S+ 0 0 46 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.326 100.4 42.8 -59.4 9.4 17.0 28.2 24.4 57 147 A E G <4 S+ 0 0 97 -3,-1.7 -1,-0.3 -2,-0.2 -2,-0.2 0.531 90.4 92.6-128.9 -23.0 20.6 29.2 24.3 58 148 A K S << S- 0 0 128 -3,-1.3 2,-0.2 -4,-0.6 0, 0.0 -0.282 76.4-122.9 -67.3 164.7 22.0 27.6 27.4 59 149 A R - 0 0 137 102,-0.0 40,-0.2 41,-0.0 -1,-0.1 -0.689 19.6-102.5-109.1 166.2 23.4 24.1 26.7 60 150 A I E -A 98 0A 3 38,-6.2 38,-2.3 -2,-0.2 40,-0.1 -0.855 26.8-148.6-101.9 115.4 22.6 20.8 28.1 61 151 A P E > -A 97 0A 49 0, 0.0 4,-2.3 0, 0.0 36,-0.2 -0.273 22.3-123.5 -63.7 147.3 25.0 19.4 30.7 62 152 A R H > S+ 0 0 62 34,-1.6 4,-2.5 2,-0.2 5,-0.1 0.839 106.5 62.0 -73.3 -28.6 25.1 15.7 30.6 63 153 A E H >> S+ 0 0 140 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.977 111.2 45.0 -51.8 -55.0 24.1 14.9 34.1 64 154 A E H 3> S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.925 108.4 55.5 -51.2 -58.6 20.9 16.6 33.1 65 155 A M H 3X S+ 0 0 2 -4,-2.3 4,-3.3 1,-0.3 -1,-0.2 0.830 107.4 52.4 -42.9 -40.8 20.7 14.7 29.7 66 156 A L H X S+ 0 0 89 -4,-3.5 4,-1.7 2,-0.2 3,-1.2 0.954 110.6 47.9 -53.9 -56.9 11.0 4.8 31.5 75 165 A E H >X S+ 0 0 26 -4,-2.0 4,-1.6 1,-0.3 3,-0.9 0.938 107.9 55.0 -47.1 -60.7 7.6 6.2 30.4 76 166 A V H 3X S+ 0 0 4 -4,-1.8 4,-1.4 1,-0.3 7,-0.3 0.782 105.6 56.0 -46.2 -28.8 7.9 4.7 26.9 77 167 A K H << S+ 0 0 151 -4,-1.3 -1,-0.3 -3,-1.2 -2,-0.2 0.940 104.3 52.9 -69.8 -44.5 8.4 1.4 28.7 78 168 A K H << S+ 0 0 126 -4,-1.7 -2,-0.2 -3,-0.9 -1,-0.2 0.936 106.4 49.7 -56.7 -52.7 5.2 1.8 30.5 79 169 A L H < S- 0 0 25 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.972 136.4 -19.7 -52.5 -60.9 3.0 2.4 27.5 80 170 A D >< - 0 0 46 -4,-1.4 3,-1.1 1,-0.1 -1,-0.3 -0.959 53.3-150.9-153.4 124.5 4.2 -0.6 25.5 81 171 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.832 94.6 71.2 -68.0 -30.6 7.5 -2.4 26.0 82 172 A E T 3 S+ 0 0 120 -5,-0.1 -5,-0.1 2,-0.1 24,-0.0 0.797 80.4 104.0 -57.6 -22.3 7.8 -3.4 22.5 83 173 A Y < - 0 0 15 -3,-1.1 2,-0.5 -7,-0.3 24,-0.2 -0.274 61.0-154.0 -59.2 134.6 8.5 0.3 22.0 84 174 A I E -B 106 0B 41 22,-2.3 22,-1.0 -2,-0.0 2,-0.5 -0.932 10.8-174.9-115.0 129.8 12.3 1.3 21.4 85 175 A A E +B 105 0B 9 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.829 4.8 179.5-136.1 109.5 13.8 4.6 22.2 86 176 A T E -B 104 0B 33 18,-1.4 18,-2.3 -2,-0.5 2,-0.5 -0.763 20.1-143.8 -98.3 136.9 17.2 5.8 21.4 87 177 A V E -B 103 0B 5 -2,-0.4 16,-0.2 16,-0.2 2,-0.0 -0.816 29.1-169.0 -93.5 134.6 18.5 9.2 22.4 88 178 A C + 0 0 2 14,-3.9 4,-0.5 -2,-0.5 14,-0.4 -0.127 30.4 68.8-107.5-148.7 20.7 10.4 19.7 89 179 A G S >> S- 0 0 24 91,-2.1 3,-3.4 2,-0.2 4,-1.0 0.248 101.9 -37.5 67.6 169.1 23.2 13.3 19.1 90 180 A S G >4>S+ 0 0 35 1,-0.3 5,-2.1 2,-0.2 3,-0.7 0.743 132.4 67.5 -25.9 -45.4 26.6 14.2 20.5 91 181 A F G >45S+ 0 0 13 1,-0.3 3,-0.9 -3,-0.2 -1,-0.3 0.814 93.3 52.7 -46.8 -52.7 25.1 12.9 23.8 92 182 A R G <45S+ 0 0 59 -3,-3.4 2,-0.7 -4,-0.5 -1,-0.3 0.870 106.3 60.0 -57.1 -34.7 25.0 9.3 22.6 93 183 A R G <<5S- 0 0 53 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.1 -0.278 127.5 -96.0 -88.3 44.7 28.6 9.8 21.8 94 184 A G T < 5 + 0 0 38 -3,-0.9 -3,-0.2 -2,-0.7 -2,-0.1 0.418 64.7 170.1 59.3 -1.1 29.7 10.6 25.2 95 185 A A < - 0 0 26 -5,-2.1 -1,-0.2 1,-0.1 3,-0.0 -0.048 34.8-139.2 -48.2 136.1 29.5 14.4 24.7 96 186 A E S S+ 0 0 152 1,-0.1 -34,-1.6 -35,-0.1 2,-0.3 0.704 82.0 6.4 -71.2 -20.2 29.9 16.4 27.8 97 187 A S E -A 61 0A 45 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.1 -0.962 68.8-170.9-156.0 167.4 27.1 18.8 26.9 98 188 A S E -A 60 0A 5 -38,-2.3 -38,-6.2 -2,-0.3 3,-0.1 -0.952 30.4-121.8-157.3 173.0 24.6 19.2 24.2 99 189 A G S S- 0 0 47 -2,-0.3 2,-0.3 -40,-0.2 63,-0.2 0.422 82.5 -15.6-102.3 -6.1 22.1 21.5 22.6 100 190 A D - 0 0 70 -40,-0.1 2,-0.7 61,-0.1 -1,-0.2 -0.958 68.7 -88.7 178.3 168.4 18.9 19.4 22.8 101 191 A M E - c 0 163B 1 61,-2.7 63,-2.4 -2,-0.3 2,-0.7 -0.798 38.2-169.7 -96.1 114.9 17.3 16.0 23.3 102 192 A D E - c 0 164B 22 -2,-0.7 -14,-3.9 -14,-0.4 2,-0.4 -0.873 7.1-170.5-106.9 114.9 17.0 14.2 20.0 103 193 A V E -Bc 87 165B 3 61,-3.8 63,-0.9 -2,-0.7 2,-0.4 -0.847 14.5-162.0-110.2 139.3 14.9 11.0 20.2 104 194 A L E -Bc 86 166B 0 -18,-2.3 -18,-1.4 -2,-0.4 2,-0.3 -0.916 19.4-175.8-107.7 134.4 14.4 8.3 17.6 105 195 A L E +Bc 85 167B 2 61,-2.6 63,-2.8 -2,-0.4 2,-0.3 -0.982 10.4 157.4-138.8 148.4 11.3 5.9 18.1 106 196 A T E -B 84 0B 0 -22,-1.0 -22,-2.3 -2,-0.3 5,-0.1 -0.945 20.5-152.3-160.4 165.3 9.9 2.9 16.5 107 197 A H > - 0 0 9 3,-0.4 3,-2.6 -2,-0.3 63,-0.5 -0.977 31.6-123.2-145.1 139.8 7.6 -0.1 17.1 108 198 A P T 3 S+ 0 0 47 0, 0.0 -25,-0.0 0, 0.0 63,-0.0 0.771 111.0 71.8 -49.1 -29.1 7.7 -3.4 15.5 109 199 A N T 3 S+ 0 0 103 1,-0.1 2,-0.4 60,-0.0 -26,-0.0 0.564 93.5 55.5 -61.2 -21.9 4.1 -2.4 14.6 110 200 A F < + 0 0 9 -3,-2.6 60,-2.1 58,-0.1 -3,-0.4 -0.986 62.1 162.5-127.9 128.8 5.1 0.1 12.1 111 201 A T > - 0 0 38 -2,-0.4 3,-1.3 58,-0.2 4,-0.4 -0.906 58.6 -87.8-140.7 166.2 7.2 -0.4 9.2 112 202 A S T 3 S+ 0 0 51 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 0.476 128.2 59.6 -50.4 -7.0 7.9 1.3 5.9 113 203 A E T 3 S+ 0 0 170 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.901 103.1 49.4 -88.2 -48.9 4.9 -0.7 4.8 114 204 A S < + 0 0 22 -3,-1.3 -2,-0.1 1,-0.0 -4,-0.1 0.918 67.6 173.4 -49.6 -97.7 2.4 0.9 7.3 115 205 A S + 0 0 82 -4,-0.4 -3,-0.1 2,-0.0 -5,-0.0 0.922 51.8 72.8 83.4 55.8 2.9 4.6 7.0 116 206 A K + 0 0 125 26,-0.1 3,-0.2 27,-0.0 27,-0.1 0.080 45.6 115.6 175.8 57.2 0.1 6.0 9.1 117 207 A Q >> + 0 0 43 25,-0.2 3,-3.9 1,-0.1 4,-0.5 -0.015 12.7 152.2-139.7 49.7 0.3 5.8 12.9 118 208 A P H >> S+ 0 0 38 0, 0.0 4,-2.7 0, 0.0 3,-1.2 0.760 73.2 70.4 -43.4 -29.9 0.4 9.2 14.5 119 209 A K H 3> S+ 0 0 172 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.848 90.7 64.3 -59.2 -30.5 -1.3 7.7 17.5 120 210 A L H <4 S+ 0 0 24 -3,-3.9 4,-0.3 2,-0.2 -1,-0.3 0.749 111.3 31.4 -64.6 -29.3 2.0 5.9 18.1 121 211 A L H S+ 0 0 1 -4,-0.3 4,-0.9 -5,-0.3 -2,-0.3 0.834 109.0 44.2 -64.2 -32.9 4.0 9.0 23.5 125 215 A V H X S+ 0 0 0 -4,-1.1 4,-1.2 -3,-0.2 5,-0.3 0.799 108.5 55.0 -82.8 -34.9 3.7 12.8 24.0 126 216 A E H >X S+ 0 0 114 -4,-2.3 4,-3.5 2,-0.2 3,-1.9 0.985 103.8 53.0 -65.9 -56.3 0.7 12.8 26.0 127 217 A Q H 3X S+ 0 0 49 -4,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.876 111.1 53.4 -45.0 -36.6 2.2 10.4 28.6 128 218 A L H 3<>S+ 0 0 1 -4,-0.9 5,-2.0 2,-0.2 6,-1.7 0.753 112.5 37.7 -71.2 -30.9 4.9 13.0 28.6 129 219 A Q H <<5S+ 0 0 78 -3,-1.9 -1,-0.2 -4,-1.2 -2,-0.2 0.653 111.9 61.0 -89.8 -23.7 2.7 16.2 29.3 130 220 A K H <5S+ 0 0 84 -4,-3.5 -2,-0.2 -5,-0.3 -3,-0.2 0.930 108.4 44.6 -63.7 -39.2 0.8 14.0 31.5 131 221 A V T <5S- 0 0 64 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.594 112.0-120.3 -80.4 -11.1 4.1 13.8 33.2 132 222 A R T 5S+ 0 0 212 2,-0.2 -3,-0.2 -4,-0.1 -4,-0.1 0.528 85.9 112.1 80.7 7.8 4.9 17.4 33.1 133 223 A F S - 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