==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAR-09 3GU9 . COMPND 2 MOLECULE: ORGANOPHOSPHORUS HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR R.HAWWA,S.LARSEN,K.RATIA,A.MESECAR . 331 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13266.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.9 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 1 1 0 2 1 2 1 1 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 93 A G 0 0 100 0, 0.0 2,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -94.1 1.9 34.6 135.2 2 94 A L - 0 0 66 203,-0.0 3,-0.1 227,-0.0 0, 0.0 -0.831 360.0-171.4 -98.4 106.3 2.3 33.8 138.9 3 95 A V - 0 0 82 -2,-0.9 203,-0.2 1,-0.1 204,-0.1 -0.630 32.2 -87.0 -97.4 155.7 -1.1 33.1 140.3 4 96 A P - 0 0 41 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.242 46.5-156.3 -53.4 141.6 -2.2 32.6 144.0 5 97 A R + 0 0 202 2,-0.1 2,-0.3 -3,-0.1 173,-0.1 -0.964 43.1 8.7-132.3 123.6 -1.7 29.0 145.1 6 98 A G S S+ 0 0 66 -2,-0.4 170,-0.1 171,-0.0 169,-0.1 -0.900 102.2 13.4 123.5-153.8 -3.5 27.1 147.9 7 99 A S + 0 0 62 168,-0.5 2,-0.3 -2,-0.3 170,-0.1 -0.278 68.4 179.1 -58.7 146.2 -6.4 27.8 150.2 8 100 A H - 0 0 96 168,-0.1 2,-0.3 170,-0.0 170,-0.2 -0.973 17.5-166.7-155.4 138.3 -8.4 30.8 149.0 9 101 A M - 0 0 47 -2,-0.3 2,-0.1 168,-0.3 3,-0.1 -0.869 40.2 -91.3-119.7 160.1 -11.5 32.7 150.2 10 102 A T - 0 0 74 -2,-0.3 9,-0.1 1,-0.1 321,-0.1 -0.441 57.8 -87.4 -66.8 141.8 -13.5 35.2 148.3 11 103 A A E -A 18 0A 8 7,-0.6 7,-2.8 320,-0.6 2,-0.5 -0.224 45.3-146.3 -50.3 134.7 -12.4 38.8 148.9 12 104 A Q E -A 17 0A 24 5,-0.2 88,-0.3 318,-0.1 5,-0.2 -0.934 18.5-177.1-111.7 121.0 -14.2 40.1 151.9 13 105 A T E > -A 16 0A 1 3,-2.4 3,-2.1 -2,-0.5 133,-0.4 -0.608 47.1 -93.2-106.4 177.2 -15.2 43.8 152.0 14 106 A V T 3 S+ 0 0 3 84,-2.7 85,-0.1 1,-0.3 74,-0.1 0.677 130.4 44.0 -66.6 -17.5 -16.9 45.6 155.0 15 107 A T T 3 S- 0 0 68 1,-0.4 -1,-0.3 83,-0.2 2,-0.2 0.170 126.2 -89.8-109.7 19.4 -20.2 44.9 153.3 16 108 A G E < -A 13 0A 23 -3,-2.1 -3,-2.4 130,-0.2 -1,-0.4 -0.537 69.2 -6.4 113.1-174.9 -19.4 41.3 152.4 17 109 A A E -A 12 0A 63 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.247 52.1-170.3 -64.8 140.7 -17.9 39.0 149.8 18 110 A V E -A 11 0A 13 -7,-2.8 -7,-0.6 313,-0.0 5,-0.1 -0.998 23.1-119.7-136.8 136.6 -16.9 40.4 146.4 19 111 A A > - 0 0 52 -2,-0.4 3,-2.1 1,-0.1 4,-0.5 -0.378 28.9-118.4 -69.4 146.2 -15.8 38.6 143.2 20 112 A A G > S+ 0 0 35 311,-0.5 3,-2.0 1,-0.3 4,-0.5 0.918 116.6 56.2 -53.0 -41.0 -12.3 39.4 142.0 21 113 A A G 3 S+ 0 0 87 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.702 100.8 59.5 -64.1 -19.7 -13.9 40.8 138.8 22 114 A Q G < S+ 0 0 106 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.475 84.0 82.5 -87.3 -3.2 -16.0 43.1 140.9 23 115 A L < + 0 0 2 -3,-2.0 47,-0.3 -4,-0.5 -1,-0.2 0.920 67.1 172.9 -67.8 -44.3 -13.0 44.8 142.4 24 116 A G - 0 0 12 -4,-0.5 2,-0.2 -3,-0.2 45,-0.1 -0.237 54.2 -4.6 67.9-163.7 -12.3 47.3 139.6 25 117 A A E S-b 69 0B 23 43,-0.7 45,-2.0 301,-0.1 46,-1.8 -0.474 82.3-169.5 -64.9 131.4 -9.7 50.1 139.8 26 118 A T E -b 71 0B 7 296,-2.2 243,-0.2 -2,-0.2 46,-0.2 -0.927 32.3-144.4-127.7 143.4 -8.4 49.9 143.4 27 119 A L E -b 72 0B 5 44,-2.2 46,-2.7 -2,-0.3 3,-0.2 -0.976 23.3-160.1-106.4 110.9 -6.3 52.1 145.7 28 120 A P E S+ 0 0 2 0, 0.0 2,-0.2 0, 0.0 242,-0.1 0.461 72.1 36.7 -69.5 -10.5 -4.5 49.3 147.7 29 121 A H E S+ 0 0 0 240,-0.2 243,-2.2 45,-0.1 242,-0.5 -0.710 74.4 121.3-153.2 99.0 -3.4 51.4 150.8 30 122 A E E -b 74 0B 0 43,-2.1 45,-2.3 242,-0.2 2,-0.4 -0.900 44.0-135.4-145.1 169.2 -5.5 54.2 152.2 31 123 A H E -d 274 0C 2 242,-2.0 244,-2.6 -2,-0.3 245,-0.4 -0.951 7.2-169.8-136.3 114.7 -7.1 55.2 155.6 32 124 A V E S+ 0 0 0 -2,-0.4 244,-0.9 1,-0.3 2,-0.3 0.955 88.6 5.2 -66.3 -48.2 -10.6 56.5 155.8 33 125 A I E S+d 276 0C 3 242,-0.2 2,-0.3 241,-0.1 -1,-0.3 -0.959 76.4 176.8-134.0 151.1 -9.9 57.3 159.4 34 126 A F E -d 277 0C 6 242,-1.5 244,-3.1 -2,-0.3 2,-0.4 -0.987 9.8-174.5-155.1 144.6 -6.8 57.1 161.4 35 127 A G - 0 0 0 45,-2.4 47,-0.1 -2,-0.3 244,-0.1 -0.979 25.2-127.3-144.8 127.2 -5.5 57.8 164.8 36 128 A Y > - 0 0 110 -2,-0.4 3,-2.7 242,-0.3 4,-0.2 -0.527 51.1 -83.4 -69.1 140.9 -2.0 57.6 166.2 37 129 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 43,-0.1 -0.164 120.8 36.3 -46.6 122.0 -1.8 55.5 169.4 38 130 A G T >> S+ 0 0 60 -3,-0.1 3,-1.8 73,-0.0 4,-0.6 -0.028 81.7 108.5 117.9 -26.5 -2.7 57.9 172.3 39 131 A Y G X4 S+ 0 0 76 -3,-2.7 3,-1.1 1,-0.3 7,-0.1 0.801 72.7 60.8 -51.5 -30.9 -5.3 59.8 170.4 40 132 A A G >4 S+ 0 0 58 1,-0.3 3,-1.0 -4,-0.2 -1,-0.3 0.794 95.0 60.9 -70.3 -25.2 -8.1 58.1 172.5 41 133 A G G <4 S+ 0 0 74 -3,-1.8 3,-0.4 1,-0.3 -1,-0.3 0.670 98.6 60.1 -73.1 -12.3 -6.7 59.6 175.6 42 134 A D G - 0 0 100 -2,-0.6 4,-2.7 1,-0.2 5,-0.3 -0.797 14.1-172.3 -95.2 98.7 -17.6 64.0 165.3 50 142 A H H > S+ 0 0 73 -2,-1.1 4,-3.1 1,-0.2 5,-0.3 0.940 78.7 48.3 -59.6 -52.9 -19.5 61.1 163.7 51 143 A A H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 115.5 46.3 -56.9 -41.0 -21.8 63.1 161.5 52 144 A A H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.885 113.3 47.5 -70.5 -37.1 -19.0 65.3 160.2 53 145 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.943 112.7 51.1 -70.1 -38.9 -16.6 62.3 159.6 54 146 A L H X S+ 0 0 39 -4,-3.1 4,-2.1 -5,-0.3 5,-0.2 0.896 112.5 44.9 -63.4 -39.7 -19.4 60.5 157.8 55 147 A A H X S+ 0 0 57 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.921 115.8 46.9 -70.9 -41.0 -20.2 63.5 155.5 56 148 A S H X S+ 0 0 43 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.883 115.4 44.1 -69.7 -35.7 -16.6 64.1 154.8 57 149 A C H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.879 111.2 53.0 -78.8 -35.7 -15.7 60.5 154.0 58 150 A T H X S+ 0 0 14 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.885 107.8 53.3 -65.9 -35.6 -18.8 59.9 151.9 59 151 A E H X S+ 0 0 126 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.904 110.0 45.7 -64.1 -42.1 -17.8 62.9 149.9 60 152 A T H X S+ 0 0 32 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.918 111.4 54.1 -67.7 -39.5 -14.3 61.5 149.3 61 153 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.942 108.2 49.5 -59.3 -43.7 -15.8 58.2 148.5 62 154 A R H X S+ 0 0 127 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.926 109.4 50.7 -65.3 -39.7 -18.1 59.8 145.9 63 155 A A H X S+ 0 0 26 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.868 110.4 50.4 -63.9 -37.8 -15.2 61.7 144.3 64 156 A L H <>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 4,-0.2 0.900 109.9 50.0 -64.9 -43.4 -13.2 58.4 144.0 65 157 A L H ><5S+ 0 0 54 -4,-2.7 3,-2.1 1,-0.2 -2,-0.2 0.907 104.5 58.7 -62.6 -37.7 -16.2 56.7 142.4 66 158 A A H 3<5S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.903 102.8 53.9 -59.1 -37.0 -16.4 59.6 140.0 67 159 A R T 3<5S- 0 0 91 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.487 124.1-105.7 -74.5 -0.3 -12.8 58.7 138.9 68 160 A G T < 5S+ 0 0 38 -3,-2.1 -43,-0.7 1,-0.3 2,-0.5 0.561 75.7 141.1 88.6 -1.4 -13.9 55.2 138.2 69 161 A I E < +b 25 0B 9 -5,-2.1 -1,-0.3 -6,-0.2 -43,-0.2 -0.690 22.7 175.5 -77.9 124.6 -12.2 53.8 141.4 70 162 A Q E + 0 0 85 -45,-2.0 27,-2.8 -2,-0.5 2,-0.4 0.584 57.6 43.8-103.4 -14.3 -14.5 51.1 142.8 71 163 A T E -bc 26 97B 1 -46,-1.8 -44,-2.2 25,-0.2 2,-0.4 -0.984 50.4-174.2-142.8 140.6 -12.4 49.9 145.7 72 164 A V E -bc 27 98B 0 25,-2.5 27,-2.5 -2,-0.4 2,-0.7 -0.991 18.1-145.5-128.0 137.5 -10.2 51.1 148.5 73 165 A V E - c 0 99B 0 -46,-2.7 -43,-2.1 -2,-0.4 2,-0.8 -0.921 15.9-149.2-101.5 114.8 -8.2 48.8 150.8 74 166 A D E -b 30 0B 2 25,-3.3 27,-0.4 -2,-0.7 -43,-0.2 -0.792 12.6-172.5 -86.8 115.4 -8.1 50.5 154.2 75 167 A A + 0 0 0 -45,-2.3 -44,-0.1 -2,-0.8 -1,-0.1 0.145 28.6 144.6 -96.6 18.0 -4.8 49.5 155.7 76 168 A T - 0 0 1 -46,-0.3 25,-0.3 -43,-0.1 27,-0.1 -0.398 47.4-125.4 -66.7 123.3 -5.5 50.9 159.2 77 169 A P > > - 0 0 0 0, 0.0 3,-2.2 0, 0.0 5,-1.1 -0.248 21.4-111.6 -64.4 155.3 -3.9 48.8 162.1 78 170 A N T 3 5S+ 0 0 31 25,-3.6 3,-0.4 1,-0.3 26,-0.2 0.764 119.5 47.7 -54.8 -33.9 -6.1 47.5 164.9 79 171 A D T 3 5S+ 0 0 20 24,-0.4 -1,-0.3 1,-0.2 25,-0.1 0.218 100.2 70.0 -94.3 9.9 -4.2 49.9 167.3 80 172 A C T < 5S- 0 0 0 -3,-2.2 -45,-2.4 -44,-0.1 -1,-0.2 -0.112 125.5 -74.6-119.2 32.7 -4.5 52.9 165.0 81 173 A G T 5 + 0 0 8 -3,-0.4 -3,-0.1 -47,-0.2 -2,-0.1 0.575 67.0 176.2 92.3 10.0 -8.2 53.8 165.2 82 174 A R < + 0 0 41 -5,-1.1 -1,-0.2 -47,-0.1 -48,-0.1 -0.153 2.1 177.2 -50.5 133.4 -9.5 50.9 163.0 83 175 A N >> - 0 0 63 -50,-0.2 4,-2.2 1,-0.1 3,-0.6 -0.623 14.3-179.9-144.3 85.4 -13.3 51.0 162.8 84 176 A P H 3> S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.856 83.7 55.0 -54.3 -37.0 -15.0 48.5 160.6 85 177 A A H 3> S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.872 108.5 47.6 -68.9 -34.7 -18.5 49.6 161.4 86 178 A F H <> S+ 0 0 2 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.926 110.5 53.1 -67.9 -41.5 -17.7 53.2 160.4 87 179 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.920 108.1 50.8 -59.3 -39.2 -16.1 51.9 157.2 88 180 A R H X S+ 0 0 78 -4,-2.3 4,-3.5 -5,-0.2 5,-0.3 0.953 105.7 55.5 -68.3 -40.4 -19.3 50.0 156.5 89 181 A E H X S+ 0 0 67 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.934 110.6 45.2 -51.1 -50.0 -21.4 53.1 157.0 90 182 A V H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 6,-0.4 0.876 114.4 48.7 -63.3 -40.9 -19.3 54.9 154.4 91 183 A S H X S+ 0 0 5 -4,-2.5 4,-3.1 -5,-0.2 3,-0.5 0.922 112.5 47.4 -65.1 -45.8 -19.4 52.0 152.0 92 184 A E H < S+ 0 0 134 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.891 110.6 53.3 -65.4 -35.3 -23.2 51.5 152.4 93 185 A A H < S+ 0 0 67 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.736 126.8 17.2 -72.4 -20.9 -23.8 55.2 151.9 94 186 A T H < S- 0 0 26 -4,-1.0 -2,-0.2 -3,-0.5 -3,-0.2 0.627 91.8-119.9-124.8 -22.6 -21.9 55.4 148.6 95 187 A G < + 0 0 53 -4,-3.1 2,-0.3 1,-0.4 -4,-0.1 0.466 63.4 140.8 90.4 -4.8 -21.4 52.0 147.0 96 188 A L - 0 0 0 -6,-0.4 2,-0.4 -5,-0.2 -1,-0.4 -0.613 53.8-125.7 -71.0 135.1 -17.6 52.4 147.2 97 189 A Q E -c 71 0B 38 -27,-2.8 -25,-2.5 -2,-0.3 2,-0.4 -0.682 29.2-170.9 -84.1 133.4 -16.2 49.0 148.2 98 190 A I E -c 72 0B 0 -2,-0.4 -84,-2.7 -27,-0.2 2,-0.3 -0.964 11.3-165.0-127.1 123.4 -13.9 49.0 151.1 99 191 A L E -c 73 0B 1 -27,-2.5 -25,-3.3 -2,-0.4 2,-0.3 -0.800 15.5-155.6 -96.8 146.6 -11.7 46.2 152.5 100 192 A C - 0 0 0 46,-0.4 48,-1.8 -2,-0.3 49,-1.2 -0.754 9.5-121.3-115.9 172.5 -10.3 46.6 156.1 101 193 A A E -e 149 0D 0 -27,-0.4 2,-0.4 -25,-0.3 49,-0.2 -0.526 4.7-149.3-107.3 168.0 -7.2 45.0 157.8 102 194 A T E +e 150 0D 0 47,-0.9 49,-2.9 -2,-0.2 2,-0.2 -0.989 57.2 79.2-132.8 128.8 -6.3 42.9 160.8 103 195 A G - 0 0 0 -2,-0.4 -25,-3.6 47,-0.2 -24,-0.4 -0.840 66.6 -95.1 153.9 166.5 -2.9 43.6 162.3 104 196 A F - 0 0 26 47,-0.4 49,-0.2 -2,-0.2 3,-0.1 -0.846 36.9-108.7-115.7 150.5 -0.7 45.9 164.5 105 197 A Y - 0 0 19 -2,-0.3 48,-0.2 1,-0.1 -1,-0.1 -0.149 51.0 -77.8 -68.1 174.1 1.5 48.9 163.7 106 198 A Y >> - 0 0 13 48,-0.2 4,-2.7 46,-0.1 3,-1.0 -0.247 44.2-102.0 -75.1 165.4 5.3 48.7 163.9 107 199 A E T 34 S+ 0 0 53 1,-0.2 5,-0.2 46,-0.2 -1,-0.1 0.786 114.6 61.8 -56.0 -33.4 7.2 48.8 167.1 108 200 A G T 34 S+ 0 0 55 1,-0.2 -1,-0.2 3,-0.1 4,-0.0 0.819 125.2 7.8 -65.7 -33.3 8.2 52.4 166.6 109 201 A E T <4 S+ 0 0 72 -3,-1.0 -2,-0.2 2,-0.0 -1,-0.2 0.479 102.2 99.3-130.1 -6.2 4.8 53.9 166.6 110 202 A G S < S- 0 0 15 -4,-2.7 2,-1.3 1,-0.1 3,-0.1 -0.176 85.8 -96.8 -76.5 176.4 2.2 51.3 167.5 111 203 A A + 0 0 43 1,-0.2 4,-0.4 2,-0.0 3,-0.2 -0.743 60.2 161.2 -89.3 87.2 0.5 50.7 170.9 112 204 A T > + 0 0 14 -2,-1.3 4,-1.6 -5,-0.2 5,-0.2 0.505 43.3 86.7 -95.3 -4.3 3.0 47.9 171.7 113 205 A T H > S+ 0 0 119 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.944 85.6 56.2 -64.3 -44.3 2.7 47.6 175.5 114 206 A Y H > S+ 0 0 136 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.953 112.4 36.6 -54.2 -65.1 -0.2 45.2 175.4 115 207 A F H > S+ 0 0 11 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.766 112.3 57.9 -68.5 -22.8 1.3 42.4 173.3 116 208 A K H X S+ 0 0 84 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.916 109.6 47.5 -68.2 -33.8 4.8 42.8 174.7 117 209 A F H X S+ 0 0 121 -4,-2.4 4,-1.9 -3,-0.4 3,-0.4 0.958 111.6 49.3 -65.5 -48.6 3.2 42.1 178.1 118 210 A R H X S+ 0 0 93 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.881 110.0 52.7 -56.3 -39.6 1.3 39.1 176.6 119 211 A A H < S+ 0 0 39 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.815 106.0 52.3 -69.7 -31.0 4.6 37.8 175.1 120 212 A S H < S+ 0 0 87 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.857 117.0 39.9 -75.7 -29.8 6.4 38.0 178.4 121 213 A L H < S- 0 0 123 -4,-1.9 2,-0.2 -5,-0.2 -2,-0.2 0.788 128.7 -30.8 -87.6 -27.0 3.6 35.9 180.0 122 214 A G S < S- 0 0 41 -4,-2.4 2,-1.3 -5,-0.2 3,-0.2 -0.746 93.1 -32.2-159.9-153.8 2.9 33.5 177.3 123 215 A D > + 0 0 92 -2,-0.2 4,-1.6 1,-0.2 3,-0.2 -0.697 48.9 172.6 -89.5 86.7 2.7 32.6 173.6 124 216 A A H > S+ 0 0 2 -2,-1.3 4,-3.4 1,-0.2 5,-0.3 0.907 74.9 63.2 -62.3 -42.3 1.8 36.0 172.0 125 217 A E H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.872 105.3 45.6 -53.0 -43.4 2.3 34.6 168.5 126 218 A S H > S+ 0 0 39 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.902 112.8 49.9 -67.8 -39.6 -0.6 32.1 169.1 127 219 A E H X S+ 0 0 51 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.919 114.3 45.0 -64.7 -37.9 -2.7 34.8 170.6 128 220 A I H X S+ 0 0 0 -4,-3.4 4,-2.8 2,-0.2 5,-0.2 0.877 112.4 52.0 -70.2 -40.2 -2.0 37.1 167.6 129 221 A Y H X S+ 0 0 21 -4,-2.5 4,-3.0 -5,-0.3 5,-0.3 0.945 110.0 49.2 -60.4 -46.6 -2.5 34.2 165.1 130 222 A E H X S+ 0 0 106 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.864 111.1 49.5 -63.6 -36.9 -5.9 33.5 166.7 131 223 A M H X S+ 0 0 39 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.971 113.7 44.9 -66.8 -53.9 -7.0 37.2 166.5 132 224 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.939 114.4 49.2 -56.2 -46.9 -6.0 37.5 162.8 133 225 A R H X S+ 0 0 88 -4,-3.0 4,-2.2 -5,-0.2 5,-0.3 0.910 112.7 47.9 -64.4 -36.8 -7.7 34.2 161.9 134 226 A T H X>S+ 0 0 47 -4,-2.0 4,-2.8 -5,-0.3 5,-2.5 0.933 112.3 47.5 -67.6 -41.7 -10.8 35.1 163.7 135 227 A E H <5S+ 0 0 18 -4,-2.6 12,-2.3 1,-0.2 -1,-0.2 0.820 116.7 43.9 -69.2 -31.9 -11.0 38.5 162.1 136 228 A V H <5S+ 0 0 0 -4,-2.2 -1,-0.2 10,-0.2 -2,-0.2 0.808 126.2 28.9 -81.6 -33.7 -10.4 37.2 158.7 137 229 A T H <5S+ 0 0 45 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.730 136.2 14.5-104.7 -22.7 -12.7 34.1 158.9 138 230 A E T <5S- 0 0 134 -4,-2.8 2,-0.2 -5,-0.3 -3,-0.2 0.706 107.0 -84.8-119.9 -52.0 -15.4 35.1 161.3 139 231 A G < - 0 0 11 -5,-2.5 2,-0.5 4,-0.1 3,-0.3 -0.814 34.3 -79.8 153.9 161.4 -15.5 38.8 162.0 140 232 A I S > S- 0 0 3 5,-2.6 3,-2.5 -2,-0.2 5,-0.4 -0.802 95.2 -22.6 -97.9 123.6 -14.3 41.8 163.9 141 233 A A T 3 S- 0 0 88 -2,-0.5 -1,-0.2 1,-0.3 -6,-0.0 0.862 118.9 -57.5 53.5 44.0 -15.5 42.6 167.4 142 234 A G T 3 S+ 0 0 84 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.522 113.2 115.0 68.3 1.4 -18.7 40.7 167.1 143 235 A T S < S- 0 0 48 -3,-2.5 -2,-0.1 2,-0.2 3,-0.1 0.612 77.9-127.8 -83.4 -6.9 -19.7 42.8 164.1 144 236 A G S S+ 0 0 54 1,-0.3 2,-0.5 -4,-0.0 -1,-0.1 0.325 70.8 127.4 78.0 -13.9 -19.8 40.1 161.4 145 237 A I - 0 0 4 -5,-0.4 -5,-2.6 -130,-0.0 2,-0.3 -0.658 47.7-153.5 -81.2 126.0 -17.5 42.4 159.4 146 238 A R - 0 0 65 -2,-0.5 -46,-0.4 -133,-0.4 2,-0.3 -0.728 15.6-114.2-102.4 153.1 -14.4 40.5 158.3 147 239 A A - 0 0 0 -12,-2.3 -46,-0.2 -2,-0.3 -134,-0.1 -0.612 17.1-161.4 -78.8 136.7 -10.9 41.8 157.4 148 240 A G S S+ 0 0 6 -48,-1.8 2,-0.3 -2,-0.3 -47,-0.2 0.434 73.0 25.3 -96.7 -5.4 -10.0 41.3 153.8 149 241 A V E S-e 101 0D 0 -49,-1.2 -47,-0.9 30,-0.1 2,-0.5 -0.988 71.6-124.4-152.0 159.7 -6.3 41.6 154.4 150 242 A I E -ef 102 181D 0 30,-2.4 32,-2.6 -2,-0.3 2,-0.5 -0.892 26.1-148.7-104.5 136.5 -3.7 41.2 157.0 151 243 A X E + f 0 182D 1 -49,-2.9 -47,-0.4 -2,-0.5 2,-0.3 -0.919 18.0 178.2-109.7 127.1 -1.6 44.3 157.7 152 244 A L E - f 0 183D 1 30,-2.3 32,-1.6 -2,-0.5 2,-0.3 -0.894 2.3-176.1-122.3 154.8 2.1 43.9 158.9 153 245 A A E - f 0 184D 5 -2,-0.3 2,-0.3 30,-0.2 -46,-0.2 -0.999 3.1-169.6-150.1 149.5 4.6 46.5 159.6 154 246 A S - 0 0 0 30,-1.5 32,-0.3 -2,-0.3 5,-0.2 -0.928 23.9-102.6-138.7 167.3 8.3 46.8 160.6 155 247 A S - 0 0 20 3,-0.8 31,-0.3 -2,-0.3 3,-0.1 -0.260 34.0-108.7 -82.5 165.2 10.9 49.2 161.8 156 248 A R S S+ 0 0 88 1,-0.2 3,-0.1 29,-0.1 -1,-0.1 0.947 111.9 39.7 -59.2 -52.0 13.7 50.9 159.8 157 249 A D S S- 0 0 107 1,-0.2 2,-0.3 32,-0.1 -1,-0.2 0.656 128.2 -21.9 -81.1 -14.0 16.7 49.0 161.2 158 250 A A - 0 0 48 -3,-0.1 2,-1.0 31,-0.1 -3,-0.8 -0.957 67.8 -92.3-179.0 164.1 15.3 45.5 161.5 159 251 A I - 0 0 15 -2,-0.3 -5,-0.1 -5,-0.2 5,-0.1 -0.853 61.3-135.6 -88.1 110.1 12.1 43.5 161.8 160 252 A T > - 0 0 23 -2,-1.0 4,-3.1 1,-0.1 5,-0.2 -0.206 15.0-108.3 -70.3 164.7 12.0 43.6 165.6 161 253 A P H > S+ 0 0 109 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.899 124.1 52.1 -56.7 -44.7 11.2 40.6 167.8 162 254 A Y H >> S+ 0 0 10 1,-0.2 4,-0.9 2,-0.2 3,-0.6 0.947 111.6 46.4 -56.1 -49.8 7.9 42.3 168.6 163 255 A E H >> S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 3,-0.6 0.890 105.8 60.6 -60.8 -38.7 7.2 42.7 164.9 164 256 A Q H 3X S+ 0 0 54 -4,-3.1 4,-2.8 1,-0.3 5,-0.3 0.829 92.9 64.1 -60.4 -30.9 8.2 39.0 164.1 165 257 A L H S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.5 0.932 112.4 54.4 -67.0 -34.2 -3.1 32.6 158.7 174 266 A Q H X5S+ 0 0 6 -4,-3.4 4,-2.8 1,-0.2 -2,-0.2 0.944 109.0 46.7 -61.4 -47.2 -1.9 33.2 155.1 175 267 A R H <5S+ 0 0 126 -4,-2.6 -168,-0.5 1,-0.2 -1,-0.2 0.888 116.9 45.0 -62.1 -39.6 -1.1 29.5 154.5 176 268 A E H <5S+ 0 0 84 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.829 129.7 16.9 -77.6 -32.6 -4.4 28.5 156.0 177 269 A T H <5S- 0 0 13 -4,-2.7 -168,-0.3 -5,-0.2 -3,-0.2 0.616 86.7-125.4-117.3 -17.8 -6.8 30.9 154.4 178 270 A G << + 0 0 4 -4,-2.8 -4,-0.2 -5,-0.5 -3,-0.1 0.435 52.1 159.4 85.5 -5.2 -5.1 32.4 151.4 179 271 A V - 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0 0 4 -5,-2.3 -1,-0.3 1,-0.1 5,-0.1 -0.551 57.2-105.1 -78.7 147.3 3.3 32.6 152.8 204 296 A D > - 0 0 16 -2,-0.2 3,-3.1 1,-0.2 -1,-0.1 -0.599 19.6-152.1 -75.1 115.7 2.4 32.9 149.1 205 297 A P G > S+ 0 0 30 0, 0.0 3,-1.2 0, 0.0 26,-0.4 0.761 97.2 63.8 -56.4 -25.9 4.4 35.6 147.3 206 298 A A G 3 S+ 0 0 9 1,-0.3 -2,-0.1 -203,-0.2 24,-0.1 0.494 105.4 46.3 -75.6 -5.7 1.5 36.0 144.9 207 299 A R G < S+ 0 0 5 -3,-3.1 -26,-2.7 -204,-0.1 2,-0.4 0.137 96.2 93.4-123.8 20.5 -0.5 37.2 147.9 208 300 A I E < -g 181 0D 0 -3,-1.2 23,-2.8 -28,-0.2 2,-0.5 -0.952 46.9-174.0-118.5 131.7 2.0 39.6 149.3 209 301 A M E -gh 182 231D 0 -28,-2.7 -26,-1.8 -2,-0.4 2,-0.7 -0.966 15.0-151.6-122.2 114.6 2.4 43.3 148.7 210 302 A I E - h 0 232D 0 21,-3.2 23,-2.6 -2,-0.5 3,-0.4 -0.759 26.7-151.0 -86.4 117.5 5.4 45.0 150.3 211 303 A G + 0 0 0 -2,-0.7 23,-0.1 -28,-0.3 -27,-0.1 -0.243 61.7 30.9 -90.8 175.1 4.5 48.6 151.0 212 304 A H > + 0 0 20 -28,-0.1 3,-1.6 1,-0.1 -24,-0.4 0.733 66.5 142.8 52.6 30.2 6.1 52.0 151.2 213 305 A M G > + 0 0 0 20,-2.0 3,-1.5 -3,-0.4 21,-0.2 0.723 60.7 70.9 -70.7 -19.2 8.6 50.9 148.7 214 306 A D G 3 S+ 0 0 2 19,-0.7 -1,-0.3 1,-0.3 20,-0.1 0.677 78.4 82.0 -68.6 -13.0 8.5 54.4 147.2 215 307 A G G < S+ 0 0 29 -3,-1.6 2,-0.4 30,-0.1 -1,-0.3 0.565 87.4 59.4 -67.8 -8.8 10.4 55.3 150.4 216 308 A N < - 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