==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUL-12 4B33 . COMPND 2 MOLECULE: DNA REPAIR AND RECOMBINATION PROTEIN RADA; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR D.E.SCOTT,M.T.EHEBAUER,T.PUKALA,M.MARSH,T.L.BLUNDELL, . 220 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 9.1 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 3 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 1 1 0 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 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 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 1 108 A A 0 0 109 0, 0.0 3,-0.1 0, 0.0 168,-0.1 0.000 360.0 360.0 360.0 154.8 -0.5 6.0 -15.0 2 109 A T - 0 0 130 1,-0.1 2,-0.2 167,-0.0 21,-0.0 -0.341 360.0-100.9 -59.6 141.1 -2.6 3.1 -13.6 3 110 A I - 0 0 61 21,-0.1 2,-0.3 19,-0.0 -1,-0.1 -0.478 40.4-153.1 -64.3 130.5 -1.8 2.3 -10.0 4 111 A G - 0 0 15 -2,-0.2 19,-2.7 -3,-0.1 2,-0.4 -0.749 3.0-146.6-103.7 156.2 0.4 -0.7 -9.8 5 112 A R E -A 22 0A 99 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.971 2.0-150.0-127.1 140.8 0.6 -3.2 -6.9 6 113 A I E -A 21 0A 0 15,-2.4 15,-2.3 -2,-0.4 50,-0.2 -0.935 25.0-122.5-107.0 125.4 3.4 -5.1 -5.4 7 114 A S - 0 0 19 48,-3.0 13,-0.1 -2,-0.5 40,-0.1 -0.417 7.4-148.6 -63.7 138.7 2.7 -8.5 -3.8 8 115 A T - 0 0 0 2,-0.3 211,-0.3 -2,-0.1 -1,-0.1 0.522 46.5-107.4 -78.9 -9.7 3.8 -8.7 -0.2 9 116 A G S S+ 0 0 15 1,-0.2 2,-0.6 209,-0.1 212,-0.5 0.009 96.8 96.7 99.9 -24.8 4.4 -12.5 -0.7 10 117 A S > - 0 0 0 210,-0.3 4,-2.9 1,-0.1 -2,-0.3 -0.874 59.5-160.0-103.0 119.7 1.3 -13.2 1.4 11 118 A K H > S+ 0 0 166 -2,-0.6 4,-2.2 2,-0.2 -1,-0.1 0.888 96.5 51.7 -58.5 -41.0 -2.1 -13.9 -0.3 12 119 A S H > S+ 0 0 34 2,-0.2 4,-1.9 199,-0.2 -1,-0.2 0.942 113.5 42.6 -60.6 -50.0 -3.9 -13.0 2.9 13 120 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 6,-0.2 0.903 112.2 54.0 -66.9 -42.7 -2.1 -9.7 3.4 14 121 A D H <>S+ 0 0 21 -4,-2.9 5,-3.6 1,-0.2 6,-0.5 0.914 107.4 52.0 -55.3 -43.2 -2.4 -8.9 -0.3 15 122 A K H ><5S+ 0 0 172 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.932 108.2 50.4 -62.3 -43.7 -6.2 -9.4 -0.1 16 123 A L H 3<5S+ 0 0 24 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.848 111.9 49.0 -59.2 -35.6 -6.4 -7.1 2.9 17 124 A L T 3<5S- 0 0 6 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.415 121.7-104.1 -88.4 2.2 -4.5 -4.4 1.0 18 125 A G T < 5S- 0 0 40 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.690 90.9 -30.0 81.7 18.5 -6.6 -4.7 -2.2 19 126 A G S -A 5 0A 55 -2,-0.2 3,-0.6 -17,-0.2 150,-0.4 -0.642 3.9-131.5 -94.5 141.4 0.2 0.6 -4.2 23 130 A T T 3 S+ 0 0 0 -19,-2.7 148,-0.3 -2,-0.3 143,-0.1 -0.394 98.1 39.2 -68.9 165.1 2.4 2.8 -6.4 24 131 A Q T 3 S+ 0 0 58 146,-1.5 2,-0.3 141,-0.6 -1,-0.2 0.761 110.1 86.6 59.7 27.4 1.4 6.5 -6.0 25 132 A A E < S-b 171 0B 19 145,-0.7 147,-2.4 -3,-0.6 2,-0.6 -0.979 73.5-129.7-150.2 155.8 1.0 5.8 -2.3 26 133 A I E -b 172 0B 1 155,-0.4 157,-2.7 -2,-0.3 2,-0.5 -0.970 21.1-161.6-107.9 117.6 2.9 5.7 1.0 27 134 A T E -bc 173 183B 1 145,-2.8 147,-2.9 -2,-0.6 2,-0.5 -0.911 6.9-162.6 -97.6 127.7 2.2 2.5 3.0 28 135 A E E -bc 174 184B 17 155,-2.8 157,-2.5 -2,-0.5 2,-0.5 -0.946 2.8-165.8-119.7 114.4 3.2 2.9 6.6 29 136 A V E -bc 175 185B 1 145,-2.7 147,-2.1 -2,-0.5 2,-0.3 -0.898 2.9-162.5-111.6 121.4 3.7 -0.3 8.6 30 137 A F E +bc 176 186B 18 155,-3.0 157,-3.0 -2,-0.5 2,-0.3 -0.762 22.3 142.2-100.2 143.7 3.9 -0.2 12.4 31 138 A G - 0 0 6 145,-1.5 3,-0.1 -2,-0.3 157,-0.1 -0.893 42.2-118.8-175.3 151.3 5.3 -2.8 14.7 32 139 A E > - 0 0 160 155,-0.4 3,-2.1 -2,-0.3 5,-0.3 -0.243 69.2 -51.4 -80.6 176.4 7.3 -3.5 17.8 33 140 A F T 3 S+ 0 0 173 1,-0.3 -1,-0.2 2,-0.1 144,-0.0 -0.244 131.1 13.7 -56.3 131.8 10.5 -5.5 17.7 34 141 A G T 3 S+ 0 0 49 -3,-0.1 -1,-0.3 1,-0.0 154,-0.1 0.525 86.0 128.0 82.2 7.1 10.1 -8.7 15.8 35 142 A S S < S- 0 0 5 -3,-2.1 153,-0.2 152,-0.1 -2,-0.1 0.760 79.0-112.3 -65.0 -28.9 6.7 -7.7 14.4 36 143 A G S > S+ 0 0 5 -4,-0.2 4,-2.4 151,-0.1 5,-0.2 0.398 80.9 123.1 108.9 0.1 7.8 -8.5 10.8 37 144 A K H > S+ 0 0 30 -5,-0.3 4,-1.8 2,-0.2 5,-0.1 0.889 80.4 42.0 -64.9 -39.7 7.8 -5.0 9.4 38 145 A T H > S+ 0 0 22 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.866 112.7 54.6 -74.0 -34.2 11.5 -5.1 8.3 39 146 A Q H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 180,-0.2 0.901 108.1 50.6 -61.3 -38.6 11.0 -8.7 7.0 40 147 A L H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.919 108.6 51.7 -64.7 -42.7 8.1 -7.3 4.9 41 148 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.939 110.5 48.0 -58.1 -47.7 10.4 -4.6 3.6 42 149 A H H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.901 112.3 49.6 -60.5 -41.2 13.0 -7.2 2.6 43 150 A T H >X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 3,-1.2 0.934 109.4 50.7 -65.1 -47.1 10.3 -9.3 0.9 44 151 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.3 -1,-0.2 0.870 102.5 61.0 -58.6 -36.3 8.9 -6.3 -1.1 45 152 A A H 3< S+ 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.729 113.9 37.0 -66.2 -22.5 12.4 -5.4 -2.3 46 153 A V H X< S+ 0 0 0 -3,-1.2 3,-1.7 -4,-0.7 4,-0.4 0.865 114.4 53.1 -88.1 -51.5 12.5 -8.9 -4.0 47 154 A M H >< S+ 0 0 7 -4,-3.0 3,-2.0 1,-0.3 11,-0.3 0.861 100.3 61.6 -54.7 -41.5 8.9 -9.1 -5.1 48 155 A V T 3< S+ 0 0 0 -4,-2.5 11,-2.3 1,-0.3 9,-2.1 0.754 96.1 61.8 -60.8 -21.5 8.9 -5.8 -6.9 49 156 A Q T < S+ 0 0 26 -3,-1.7 -1,-0.3 9,-0.2 -2,-0.2 0.590 89.3 89.6 -81.8 -10.3 11.6 -7.1 -9.3 50 157 A L S < S- 0 0 12 -3,-2.0 8,-3.0 -4,-0.4 9,-0.3 -0.358 89.2 -95.8 -77.6 162.9 9.4 -9.9 -10.6 51 158 A P > > - 0 0 33 0, 0.0 3,-2.0 0, 0.0 5,-1.9 -0.427 41.2-101.6 -71.7 159.3 7.1 -9.5 -13.6 52 159 A P G > 5S+ 0 0 73 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 0.830 121.4 61.4 -50.9 -41.3 3.4 -8.5 -12.9 53 160 A E G 3 5S+ 0 0 170 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.754 109.5 43.6 -59.8 -24.1 2.2 -12.1 -13.5 54 161 A E G < 5S- 0 0 113 -3,-2.0 -1,-0.3 -7,-0.1 -4,-0.1 0.320 130.2 -94.3-104.3 6.0 4.4 -13.0 -10.5 55 162 A G T < 5S+ 0 0 19 -3,-1.9 -48,-3.0 1,-0.3 2,-0.1 0.537 90.3 99.6 99.5 8.7 3.3 -10.1 -8.4 56 163 A G < - 0 0 1 -5,-1.9 -1,-0.3 -50,-0.2 -8,-0.2 -0.387 67.7-129.9-113.6-167.5 6.0 -7.5 -9.2 57 164 A L - 0 0 38 -9,-2.1 -8,-0.1 -6,-0.1 3,-0.1 0.026 48.0-107.9-135.2 25.2 6.5 -4.5 -11.4 58 165 A N S S+ 0 0 57 -8,-3.0 -9,-0.2 -11,-0.3 2,-0.2 0.903 76.2 146.7 46.2 47.8 9.8 -5.3 -13.1 59 166 A G - 0 0 0 -11,-2.3 66,-0.2 -9,-0.3 2,-0.2 -0.664 51.2-125.7-117.5 166.0 11.3 -2.6 -10.9 60 167 A S E -d 125 0B 5 64,-2.5 66,-2.7 -2,-0.2 67,-1.3 -0.597 28.6-132.1 -95.7 169.3 14.4 -1.4 -9.1 61 168 A V E -de 127 93B 1 31,-2.9 33,-3.1 -2,-0.2 2,-0.4 -0.915 11.7-161.1-126.5 147.0 14.5 -0.5 -5.4 62 169 A M E -de 128 94B 22 65,-2.2 67,-2.8 -2,-0.3 2,-0.5 -1.000 17.3-167.0-125.3 133.6 15.9 2.4 -3.4 63 170 A W E -de 129 95B 2 31,-2.9 33,-2.6 -2,-0.4 2,-0.6 -0.975 12.0-166.8-130.6 119.0 16.4 1.7 0.3 64 171 A I E -de 130 96B 7 65,-2.9 67,-2.5 -2,-0.5 2,-0.5 -0.941 13.2-165.4-107.5 122.2 17.1 4.3 3.1 65 172 A D E +de 131 97B 1 31,-2.6 33,-2.7 -2,-0.6 67,-0.3 -0.922 14.3 178.9-116.0 120.5 18.2 2.6 6.3 66 173 A T S S+ 0 0 1 65,-2.4 66,-0.2 -2,-0.5 -1,-0.1 0.719 80.9 22.3 -98.6 -23.6 18.2 4.6 9.6 67 174 A E S S- 0 0 102 64,-0.6 -1,-0.1 68,-0.0 65,-0.1 0.013 110.6 -94.1-137.5 38.4 19.4 2.0 12.2 68 175 A N S S+ 0 0 87 63,-0.1 29,-0.0 1,-0.1 -3,-0.0 0.926 77.7 134.0 61.2 52.4 21.2 -0.7 10.3 69 176 A T + 0 0 38 62,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.449 33.7 108.6-110.8 -1.8 18.4 -3.2 9.8 70 177 A F - 0 0 26 61,-0.1 -5,-0.0 1,-0.0 -32,-0.0 -0.613 49.4-166.8 -74.9 131.5 19.0 -3.9 6.1 71 178 A R >> - 0 0 132 -2,-0.3 4,-1.7 1,-0.1 3,-1.0 -0.897 13.9-169.8-124.2 100.8 20.5 -7.4 5.6 72 179 A P H 3> S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.865 90.9 57.8 -58.0 -34.0 21.9 -8.2 2.2 73 180 A E H 3> S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.829 103.8 52.0 -67.5 -27.8 22.2 -11.9 3.1 74 181 A R H <> S+ 0 0 30 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.863 107.9 51.1 -73.7 -37.8 18.4 -11.9 3.8 75 182 A I H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.947 110.6 49.5 -56.2 -51.4 17.7 -10.5 0.4 76 183 A R H X S+ 0 0 77 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.922 111.8 49.4 -56.8 -45.8 19.9 -13.2 -1.1 77 184 A E H X S+ 0 0 81 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.942 113.4 44.2 -60.5 -48.6 18.0 -15.8 0.9 78 185 A I H X S+ 0 0 0 -4,-2.6 4,-0.8 2,-0.2 6,-0.2 0.926 114.2 51.1 -62.6 -43.2 14.6 -14.6 -0.2 79 186 A A H ><>S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 3,-1.0 0.950 113.1 44.4 -56.6 -53.5 15.7 -14.2 -3.8 80 187 A Q H ><5S+ 0 0 138 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.892 110.1 53.5 -64.0 -42.7 17.1 -17.7 -4.0 81 188 A N H 3<5S+ 0 0 64 -4,-2.4 -1,-0.3 135,-0.3 -2,-0.2 0.636 110.4 49.5 -67.7 -14.5 14.2 -19.4 -2.3 82 189 A R T <<5S- 0 0 49 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.174 123.0-105.0-106.8 14.1 11.9 -17.7 -4.8 83 190 A G T < 5S+ 0 0 67 -3,-1.8 -3,-0.2 1,-0.2 2,-0.1 0.495 78.9 126.5 81.8 4.4 14.0 -18.9 -7.8 84 191 A L S - 0 0 83 1,-0.2 4,-2.6 -2,-0.1 5,-0.2 -0.755 29.1-152.5 -81.5 115.7 19.3 -14.8 -8.9 86 193 A P H > S+ 0 0 21 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.835 93.5 50.8 -59.2 -35.0 20.5 -13.4 -5.5 87 194 A D H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.921 111.7 45.8 -70.3 -43.5 23.3 -11.3 -7.0 88 195 A E H > S+ 0 0 92 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.920 112.3 52.0 -64.0 -43.5 21.0 -9.7 -9.6 89 196 A V H >< S+ 0 0 6 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.933 111.2 46.8 -59.9 -47.7 18.4 -9.0 -7.0 90 197 A L H >< S+ 0 0 29 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.865 105.3 61.0 -60.4 -38.3 20.9 -7.3 -4.7 91 198 A K H 3< S+ 0 0 138 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.771 101.2 54.1 -60.3 -26.8 22.3 -5.2 -7.6 92 199 A H T << S+ 0 0 52 -4,-1.0 -31,-2.9 -3,-0.8 2,-0.6 0.206 88.1 87.9-101.8 15.3 19.0 -3.6 -8.2 93 200 A I E < -e 61 0B 14 -3,-1.7 2,-0.6 -33,-0.2 -31,-0.2 -0.959 67.5-154.1-108.1 108.4 18.6 -2.3 -4.6 94 201 A A E -e 62 0B 28 -33,-3.1 -31,-2.9 -2,-0.6 2,-0.4 -0.762 18.8-154.2 -81.7 119.8 20.3 1.1 -4.3 95 202 A Y E +e 63 0B 101 -2,-0.6 2,-0.4 -33,-0.2 -31,-0.2 -0.793 19.8 174.2-104.7 136.0 21.2 1.4 -0.6 96 203 A A E -e 64 0B 26 -33,-2.6 -31,-2.6 -2,-0.4 2,-0.4 -0.977 20.6-145.9-138.9 129.6 21.7 4.5 1.5 97 204 A R E -e 65 0B 60 -2,-0.4 2,-0.6 -33,-0.2 -31,-0.2 -0.736 14.1-148.7 -82.6 132.6 22.4 4.8 5.2 98 205 A A - 0 0 0 -33,-2.7 3,-0.1 -2,-0.4 -2,-0.0 -0.944 9.3-169.1-103.4 121.2 20.8 7.8 6.8 99 206 A F - 0 0 131 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.702 67.4 -8.7 -83.9 -20.6 23.0 9.0 9.7 100 207 A N S > S- 0 0 63 1,-0.1 4,-2.6 40,-0.0 5,-0.1 -0.941 82.1 -84.5-163.0 177.3 20.5 11.5 11.2 101 208 A S H > S+ 0 0 3 -2,-0.3 4,-2.1 35,-0.2 5,-0.2 0.881 123.6 50.0 -66.0 -39.7 17.1 13.1 10.4 102 209 A N H > S+ 0 0 112 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.933 112.7 47.3 -60.0 -47.4 18.5 15.9 8.2 103 210 A H H > S+ 0 0 45 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.915 109.2 55.1 -60.2 -44.2 20.5 13.5 6.2 104 211 A Q H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.909 109.9 45.5 -56.6 -43.7 17.4 11.3 5.9 105 212 A M H X S+ 0 0 15 -4,-2.1 4,-1.8 1,-0.2 3,-0.2 0.914 112.3 52.0 -67.7 -41.4 15.4 14.2 4.4 106 213 A L H X S+ 0 0 80 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.907 104.8 56.3 -58.4 -43.4 18.3 15.1 2.1 107 214 A L H X S+ 0 0 15 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.849 105.6 50.9 -60.9 -35.1 18.5 11.5 0.8 108 215 A V H X S+ 0 0 1 -4,-1.3 4,-0.6 -3,-0.2 -1,-0.2 0.916 111.8 47.4 -67.9 -42.2 14.9 11.6 -0.2 109 216 A Q H >< S+ 0 0 85 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.908 115.2 45.9 -61.7 -42.1 15.5 14.8 -2.1 110 217 A Q H >X S+ 0 0 103 -4,-2.8 3,-1.3 1,-0.2 4,-0.6 0.692 95.9 74.5 -78.0 -18.0 18.6 13.4 -3.7 111 218 A A H >X S+ 0 0 6 -4,-1.3 4,-2.0 1,-0.3 3,-0.5 0.793 79.7 75.2 -63.9 -27.4 16.8 10.1 -4.6 112 219 A E H S+ 0 0 102 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.934 107.7 40.0 -62.5 -48.9 18.2 11.9 -9.5 114 221 A M H < S+ 0 0 40 -4,-2.2 3,-1.9 1,-0.2 5,-0.3 0.562 89.5 100.6 -91.9 -8.9 16.1 4.9 -14.4 119 226 A L T 3< S+ 0 0 62 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.1 0.837 90.5 30.0 -53.5 -47.1 12.6 6.2 -15.4 120 227 A N T 3 S+ 0 0 155 -4,-0.5 -1,-0.3 -3,-0.2 2,-0.1 -0.056 104.6 97.3-108.8 38.8 12.6 5.2 -19.0 121 228 A T S < S- 0 0 60 -3,-1.9 -3,-0.1 1,-0.0 -4,-0.0 -0.381 91.9 -91.6-106.6-172.4 14.7 2.1 -18.7 122 229 A D S S+ 0 0 127 1,-0.2 -3,-0.1 -2,-0.1 -4,-0.1 0.591 121.5 36.7 -76.3 -11.7 14.0 -1.6 -18.3 123 230 A R S S+ 0 0 75 -5,-0.3 -1,-0.2 -64,-0.1 -64,-0.2 -0.492 76.2 179.8-143.1 66.2 14.1 -1.3 -14.5 124 231 A P - 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