==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 19-APR-13 4K99 . COMPND 2 MOLECULE: CYCLIC GMP-AMP SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR P.GAO,Y.WU,D.J.PATEL . 354 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 29 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 2 1 0 0 0 0 1 0 1 1 2 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 3 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 1 149 A K > 0 0 134 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -46.7 186.4 413.6 198.2 2 150 A L H > + 0 0 14 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.872 360.0 56.1 -62.5 -34.9 186.2 410.9 195.5 3 151 A K H > S+ 0 0 145 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 105.7 49.7 -60.9 -44.1 182.8 412.3 194.8 4 152 A K H > S+ 0 0 163 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.891 110.1 50.3 -62.6 -40.8 184.3 415.8 194.3 5 153 A V H X S+ 0 0 8 -4,-2.2 4,-2.6 1,-0.2 3,-0.4 0.953 109.0 51.5 -60.2 -50.9 186.9 414.3 191.9 6 154 A L H X S+ 0 0 10 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.844 106.2 56.0 -54.6 -37.5 184.2 412.6 189.9 7 155 A D H < S+ 0 0 76 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.884 110.8 43.4 -59.9 -40.5 182.4 415.9 189.7 8 156 A K H < S+ 0 0 88 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.859 114.1 50.2 -77.1 -33.5 185.4 417.5 188.1 9 157 A L H < S+ 0 0 0 -4,-2.6 50,-1.7 -5,-0.1 -1,-0.2 0.731 87.4 107.4 -70.4 -25.8 186.0 414.5 185.8 10 158 A R S < S- 0 0 119 -4,-1.6 2,-0.1 -5,-0.2 48,-0.1 -0.291 75.9-117.7 -60.5 136.9 182.4 414.5 184.7 11 159 A L - 0 0 35 46,-0.2 2,-0.4 49,-0.1 49,-0.1 -0.483 21.5-125.1 -76.3 148.3 182.0 415.8 181.1 12 160 A K > - 0 0 117 47,-0.2 4,-2.6 -2,-0.1 3,-0.2 -0.775 8.8-136.5 -93.3 137.8 180.0 419.0 180.4 13 161 A R H > S+ 0 0 199 -2,-0.4 4,-3.4 1,-0.2 5,-0.2 0.875 105.3 56.6 -59.7 -40.8 177.1 418.8 177.9 14 162 A K H > S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 111.1 43.6 -56.6 -43.6 178.2 422.1 176.3 15 163 A D H > S+ 0 0 56 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 113.6 52.1 -68.2 -40.4 181.6 420.6 175.6 16 164 A I H X S+ 0 0 52 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.933 110.4 47.8 -59.6 -47.8 180.1 417.3 174.5 17 165 A S H X S+ 0 0 69 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.958 114.0 45.5 -60.0 -51.3 177.8 419.1 172.0 18 166 A E H X S+ 0 0 65 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.897 117.6 43.8 -62.2 -40.0 180.5 421.3 170.5 19 167 A A H X S+ 0 0 5 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.936 113.4 48.6 -71.2 -48.8 183.0 418.4 170.2 20 168 A A H X S+ 0 0 16 -4,-2.8 4,-2.9 -5,-0.2 5,-0.3 0.884 106.4 58.4 -59.3 -39.3 180.6 415.8 168.8 21 169 A E H X S+ 0 0 120 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.947 113.7 36.8 -58.7 -48.1 179.3 418.2 166.2 22 170 A T H X S+ 0 0 11 -4,-1.3 4,-2.3 2,-0.2 5,-0.2 0.931 117.4 50.5 -69.9 -47.8 182.7 418.7 164.7 23 171 A V H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.917 110.2 50.2 -57.4 -45.1 183.9 415.1 165.1 24 172 A N H X S+ 0 0 60 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.878 110.0 51.1 -63.4 -38.1 180.8 413.7 163.5 25 173 A K H X S+ 0 0 104 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.2 0.928 113.0 44.5 -63.6 -46.3 181.2 416.1 160.5 26 174 A V H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.935 116.9 44.3 -66.6 -46.2 184.8 415.1 159.9 27 175 A V H X S+ 0 0 3 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.921 110.4 54.0 -65.5 -45.0 184.2 411.3 160.3 28 176 A E H X S+ 0 0 79 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.890 111.2 48.6 -56.6 -38.8 181.1 411.3 158.2 29 177 A R H X S+ 0 0 89 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.919 111.8 46.1 -69.3 -45.2 183.1 412.9 155.5 30 178 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.891 113.7 50.6 -62.3 -41.8 186.1 410.5 155.7 31 179 A L H X S+ 0 0 17 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.927 108.4 50.2 -64.5 -47.0 183.7 407.6 155.7 32 180 A R H X S+ 0 0 146 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.900 109.1 54.7 -56.7 -40.6 181.7 408.7 152.7 33 181 A R H >< S+ 0 0 63 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.910 107.8 47.6 -57.6 -49.0 185.1 409.2 150.9 34 182 A M H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 7,-0.2 0.862 106.4 59.3 -57.5 -38.4 186.1 405.6 151.6 35 183 A Q H 3< S+ 0 0 53 -4,-1.9 2,-0.4 1,-0.2 -1,-0.2 0.571 92.2 91.1 -75.9 -8.5 182.8 404.4 150.4 36 184 A K S << S- 0 0 133 -3,-1.1 -1,-0.2 -4,-0.5 2,-0.1 -0.959 81.3 -68.1-142.6 118.9 183.3 405.9 146.9 37 185 A R S S+ 0 0 167 -2,-0.4 2,-3.8 2,-0.1 5,-0.2 -0.371 92.1 24.6-140.7 -73.7 184.4 404.4 144.8 38 186 A E S S+ 0 0 187 -2,-0.1 2,-0.3 3,-0.1 -2,-0.1 -0.262 85.5 118.4 -71.2 58.6 187.3 402.6 143.1 39 187 A S S > S- 0 0 17 -2,-3.8 3,-1.1 -5,-0.2 -2,-0.1 -0.879 74.3-124.7-123.3 157.3 189.0 402.0 146.4 40 188 A E T 3 S+ 0 0 21 -2,-0.3 3,-0.2 1,-0.2 57,-0.1 0.514 111.1 55.7 -78.4 -4.5 189.9 398.8 148.2 41 189 A F T > + 0 0 0 -7,-0.2 3,-2.2 1,-0.1 -1,-0.2 0.201 67.8 125.8-109.6 14.5 188.0 400.0 151.3 42 190 A K T < S+ 0 0 84 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.784 71.4 48.8 -50.5 -40.0 184.7 400.7 149.5 43 191 A G T 3 S+ 0 0 50 -3,-0.2 28,-0.4 28,-0.1 -1,-0.3 0.189 78.1 137.5 -89.2 19.0 182.6 398.5 151.9 44 192 A V < - 0 0 1 -3,-2.2 2,-0.3 26,-0.1 26,-0.2 -0.334 33.8-162.5 -67.7 146.0 183.8 399.9 155.2 45 193 A E E -A 69 0A 105 24,-2.3 24,-3.0 -2,-0.0 2,-0.3 -0.910 18.5-112.2-126.1 156.1 181.3 400.6 157.9 46 194 A Q E +A 68 0A 57 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.641 27.8 176.6 -95.3 142.4 181.6 402.7 161.0 47 195 A L E -A 67 0A 15 20,-2.1 20,-3.2 -2,-0.3 2,-0.3 -0.925 23.1-141.5-141.2 116.5 181.7 401.5 164.6 48 196 A N E +A 66 0A 39 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.586 33.4 170.1 -78.9 137.4 182.3 404.0 167.4 49 197 A T E > +A 65 0A 7 16,-2.5 16,-0.8 -2,-0.3 4,-0.6 -0.801 19.9 42.9-138.1 176.6 184.5 402.7 170.2 50 198 A G H > S- 0 0 15 -2,-0.2 4,-1.4 167,-0.2 3,-0.3 -0.080 96.3 -32.2 78.5-171.4 186.5 403.5 173.3 51 199 A S H >>S+ 0 0 15 1,-0.2 5,-2.6 2,-0.2 6,-1.2 0.774 126.3 55.0 -65.0 -36.4 185.9 405.7 176.3 52 200 A Y H >45S+ 0 0 41 11,-0.3 3,-0.9 -3,-0.3 -1,-0.2 0.962 115.5 39.3 -60.7 -45.7 183.7 408.5 174.9 53 201 A Y H 3<5S+ 0 0 39 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.684 115.8 52.2 -81.5 -14.0 181.2 406.1 173.5 54 202 A E H 3<5S- 0 0 7 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.429 112.0-122.1 -92.8 -3.3 181.4 403.9 176.6 55 203 A H T <<5S+ 0 0 114 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.805 87.6 104.4 65.6 31.6 180.8 406.9 178.8 56 204 A V < + 0 0 1 -5,-2.6 2,-0.3 -6,-0.1 -4,-0.2 0.171 40.8 126.2-123.0 17.2 184.0 406.5 180.7 57 205 A K - 0 0 13 -6,-1.2 2,-0.3 -5,-0.2 -46,-0.2 -0.588 50.3-147.4 -71.9 133.6 185.9 409.4 179.0 58 206 A I - 0 0 0 -2,-0.3 2,-2.6 2,-0.1 -48,-0.2 -0.715 52.2 -4.2-111.6 156.5 187.2 411.7 181.7 59 207 A S S S+ 0 0 46 -50,-1.7 -47,-0.2 -2,-0.3 -1,-0.1 -0.275 122.5 7.6 74.1 -56.6 187.9 415.4 182.1 60 208 A A S S- 0 0 29 -2,-2.6 2,-2.0 -49,-0.1 3,-0.2 -0.979 70.5-114.8-156.9 146.1 187.1 416.6 178.6 61 209 A P S S+ 0 0 8 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.524 73.4 124.5 -79.8 71.8 185.6 415.1 175.4 62 210 A N + 0 0 67 -2,-2.0 92,-2.5 1,-0.2 2,-0.3 0.230 56.9 54.5-122.4 9.4 188.9 415.6 173.6 63 211 A E E - b 0 154A 41 90,-0.2 2,-0.4 -3,-0.2 -11,-0.3 -0.902 59.7-179.2-149.5 119.4 189.7 412.1 172.3 64 212 A F E - b 0 155A 1 90,-2.6 92,-2.6 -2,-0.3 2,-0.4 -0.929 11.4-155.0-121.9 141.8 187.4 410.0 170.1 65 213 A D E +Ab 49 156A 27 -16,-0.8 -16,-2.5 -2,-0.4 2,-0.4 -0.956 16.7 171.8-118.9 131.5 187.9 406.5 168.8 66 214 A V E -Ab 48 157A 2 90,-2.5 92,-2.9 -2,-0.4 2,-0.4 -0.990 18.9-147.5-142.5 132.4 186.2 405.1 165.6 67 215 A M E -Ab 47 158A 2 -20,-3.2 -20,-2.1 -2,-0.4 2,-0.8 -0.825 3.9-157.2 -96.8 134.9 186.7 401.9 163.6 68 216 A F E -Ab 46 159A 0 90,-2.4 92,-2.1 -2,-0.4 2,-0.4 -0.931 28.3-161.0-102.5 102.9 186.2 401.7 159.9 69 217 A K E -Ab 45 160A 23 -24,-3.0 -24,-2.3 -2,-0.8 2,-0.5 -0.734 12.0-160.8 -97.4 136.4 185.5 398.0 159.7 70 218 A L E - b 0 161A 17 90,-3.1 92,-2.7 -2,-0.4 2,-0.5 -0.960 17.5-134.5-116.5 117.4 185.8 396.0 156.5 71 219 A E E - b 0 162A 93 -2,-0.5 92,-0.2 -28,-0.4 -28,-0.1 -0.605 23.9-173.6 -74.5 123.4 184.1 392.6 156.3 72 220 A V > - 0 0 7 90,-1.9 3,-0.6 -2,-0.5 92,-0.1 -0.875 11.4-150.8-124.8 95.7 186.6 390.1 154.8 73 221 A P T 3 + 0 0 72 0, 0.0 90,-0.0 0, 0.0 89,-0.0 -0.270 69.8 14.4 -70.5 152.9 185.0 386.8 154.1 74 222 A R T 3 S+ 0 0 182 1,-0.2 18,-1.6 17,-0.1 2,-0.3 0.827 79.8 162.4 60.4 39.0 186.9 383.5 154.2 75 223 A I E < -C 91 0A 23 -3,-0.6 2,-0.4 16,-0.2 16,-0.2 -0.655 27.9-145.8 -89.7 151.2 190.0 384.7 155.9 76 224 A E E -C 90 0A 97 14,-3.6 14,-3.1 -2,-0.3 2,-0.4 -0.954 10.1-150.2-117.8 133.3 192.4 382.3 157.5 77 225 A L E -C 89 0A 52 -2,-0.4 2,-0.5 12,-0.2 12,-0.2 -0.873 9.5-169.4-108.9 134.0 194.3 383.2 160.6 78 226 A Q E -C 88 0A 106 10,-2.6 10,-3.1 -2,-0.4 2,-0.1 -0.989 29.9-121.4-119.6 123.1 197.7 381.9 161.6 79 227 A E E -C 87 0A 45 -2,-0.5 2,-0.7 8,-0.2 8,-0.3 -0.407 23.0-122.8 -66.1 131.0 198.8 382.7 165.2 80 228 A Y S > S- 0 0 23 6,-2.8 3,-1.9 132,-0.2 6,-0.3 -0.680 71.1 -51.1 -76.5 111.4 202.0 384.7 165.3 81 229 A Y T 3 S- 0 0 178 -2,-0.7 3,-0.1 1,-0.2 -2,-0.1 -0.339 103.7 -50.1 49.6-124.8 204.2 382.6 167.4 82 230 A E T 3 S+ 0 0 142 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.0 -0.001 100.8 121.0-129.7 34.2 202.2 381.7 170.6 83 231 A T < - 0 0 35 -3,-1.9 -2,-0.1 3,-0.1 -1,-0.1 0.795 56.5-152.5 -69.7 -34.1 201.2 385.3 171.4 84 232 A G S S+ 0 0 0 2,-0.3 86,-0.1 -4,-0.3 -1,-0.1 -0.042 86.0 59.5 84.7 -32.1 197.4 384.6 171.3 85 233 A A S S+ 0 0 0 -5,-0.2 129,-2.5 128,-0.1 2,-0.3 0.717 93.1 69.0 -97.6 -26.8 196.8 388.2 170.3 86 234 A F E + D 0 213A 18 -6,-0.3 -6,-2.8 127,-0.2 2,-0.3 -0.760 58.9 177.2-110.4 143.8 198.7 388.5 167.0 87 235 A Y E -CD 79 212A 7 125,-2.5 125,-2.5 -2,-0.3 2,-0.4 -0.964 30.8-133.7-143.3 150.2 198.0 386.9 163.7 88 236 A L E -C 78 0A 21 -10,-3.1 -10,-2.6 -2,-0.3 2,-0.5 -0.917 32.3-142.3 -97.2 137.3 199.1 386.6 160.1 89 237 A V E +C 77 0A 0 17,-0.5 17,-3.3 -2,-0.4 2,-0.2 -0.894 28.4 161.6-105.6 124.8 196.1 386.8 157.7 90 238 A K E -C 76 0A 32 -14,-3.1 -14,-3.6 -2,-0.5 2,-0.3 -0.768 25.8-119.7-129.5 179.6 195.8 384.7 154.6 91 239 A F E C 75 0A 56 13,-0.4 -16,-0.2 -16,-0.2 -17,-0.1 -0.825 360.0 360.0-126.0 158.1 192.9 383.6 152.3 92 240 A K 0 0 176 -18,-1.6 -1,-0.2 -2,-0.3 -17,-0.1 0.788 360.0 360.0 -82.1 360.0 191.0 380.7 151.0 93 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 94 245 A G 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 52.7 190.6 389.4 141.5 95 246 A N > - 0 0 73 1,-0.1 3,-0.9 2,-0.0 4,-0.2 -0.240 360.0-117.8 -78.5 162.2 189.8 391.0 144.8 96 247 A P G > S+ 0 0 69 0, 0.0 3,-1.0 0, 0.0 -56,-0.1 0.821 108.9 59.3 -72.1 -30.7 190.6 394.6 145.9 97 248 A L G > S+ 0 0 12 1,-0.2 3,-2.3 2,-0.1 4,-0.2 0.495 75.2 96.8 -78.9 -2.4 193.0 393.7 148.8 98 249 A S G X S+ 0 0 50 -3,-0.9 3,-1.4 1,-0.3 -1,-0.2 0.776 74.0 66.1 -56.2 -27.7 195.3 391.8 146.4 99 250 A H G < S+ 0 0 122 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.744 99.1 52.8 -62.5 -24.1 197.4 395.0 146.3 100 251 A F G < S+ 0 0 11 -3,-2.3 7,-2.3 -4,-0.1 -1,-0.3 0.333 85.1 116.7 -99.1 5.0 198.2 394.4 150.0 101 252 A L E < -I 106 0B 48 -3,-1.4 5,-0.2 5,-0.2 2,-0.2 -0.322 40.5-174.4 -73.2 157.6 199.4 390.9 149.6 102 253 A E E > S-I 105 0B 84 3,-1.6 3,-1.0 -2,-0.0 2,-0.5 -0.663 78.1 -42.9-150.9 83.2 202.9 389.8 150.4 103 254 A G T 3 S- 0 0 70 1,-0.2 -2,-0.0 -2,-0.2 0, 0.0 -0.803 121.7 -33.2 80.5-128.9 203.0 386.2 149.3 104 255 A E T 3 S+ 0 0 141 -2,-0.5 -13,-0.4 -3,-0.1 2,-0.4 0.444 120.5 106.4 -97.0 -2.8 199.7 384.8 150.5 105 256 A V E < -I 102 0B 15 -3,-1.0 -3,-1.6 -15,-0.1 2,-1.1 -0.623 69.8-137.1 -87.9 127.8 199.9 387.1 153.5 106 257 A L E -I 101 0B 0 -17,-3.3 -17,-0.5 -2,-0.4 2,-0.4 -0.735 28.8-137.7 -81.2 101.9 197.7 390.2 153.8 107 258 A S > - 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0 0 68 -2,-0.2 -5,-2.8 1,-0.0 2,-0.2 -0.767 37.6-120.7-101.1 140.0 169.8 400.8 191.1 240 391 A K - 0 0 114 -2,-0.4 2,-0.2 -7,-0.2 -7,-0.1 -0.539 29.2-163.5 -68.3 135.8 172.8 402.9 190.3 241 392 A C - 0 0 4 -2,-0.2 49,-0.2 49,-0.2 4,-0.2 -0.675 22.9-130.2-110.6 175.5 176.2 401.1 190.8 242 393 A C S > S+ 0 0 3 47,-2.8 4,-2.3 -2,-0.2 5,-0.2 0.168 71.3 112.5-109.8 18.2 179.7 402.6 191.0 243 394 A R H > S+ 0 0 0 46,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.937 83.2 40.1 -52.9 -53.2 181.5 400.4 188.5 244 395 A K H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.854 111.9 57.4 -68.7 -34.7 182.1 403.1 185.9 245 396 A E H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.890 106.5 49.7 -61.9 -39.2 183.0 405.6 188.5 246 397 A C H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.890 109.6 51.4 -66.3 -41.1 185.7 403.3 189.8 247 398 A L H X S+ 0 0 1 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.933 109.0 51.2 -60.6 -45.5 187.0 402.9 186.3 248 399 A K H X S+ 0 0 35 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.914 110.2 48.8 -58.6 -43.2 187.1 406.7 185.8 249 400 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.894 111.7 47.8 -65.5 -42.8 189.1 407.3 189.0 250 401 A M H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.893 112.5 49.9 -66.6 -39.4 191.6 404.6 188.2 251 402 A K H X S+ 0 0 18 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.893 111.3 49.8 -62.4 -40.8 192.0 406.1 184.7 252 403 A Y H X S+ 0 0 8 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.935 107.9 52.5 -64.7 -47.6 192.5 409.5 186.1 253 404 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.911 114.2 43.4 -52.4 -45.9 195.1 408.4 188.6 254 405 A L H X S+ 0 0 7 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.908 112.2 52.2 -71.0 -42.6 197.1 406.8 185.8 255 406 A E H X S+ 0 0 62 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.924 112.0 46.9 -56.1 -45.5 196.6 409.8 183.4 256 407 A Q H X S+ 0 0 23 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.896 114.0 46.7 -67.1 -41.0 197.9 412.1 186.1 257 408 A L H >X S+ 0 0 2 -4,-2.0 4,-1.7 -5,-0.3 3,-0.7 0.899 111.7 50.8 -67.3 -41.5 200.9 409.9 186.9 258 409 A K H 3< S+ 0 0 57 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.830 102.9 63.1 -64.5 -32.3 201.7 409.5 183.2 259 410 A K H 3< S+ 0 0 154 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.791 114.6 29.2 -64.0 -29.4 201.6 413.2 182.8 260 411 A E H << S+ 0 0 113 -4,-0.8 2,-0.5 -3,-0.7 -1,-0.2 0.608 115.6 58.8-111.5 -10.9 204.5 413.8 185.2 261 412 A F >< - 0 0 38 -4,-1.7 3,-1.6 1,-0.1 -1,-0.2 -0.920 52.6-170.3-124.3 111.4 206.6 410.7 184.9 262 413 A Q G > S+ 0 0 136 -2,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.720 84.1 74.8 -65.5 -22.1 208.0 409.7 181.5 263 414 A E G 3 S+ 0 0 92 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.491 87.5 63.5 -70.5 0.4 209.0 406.4 182.9 264 415 A L G X + 0 0 0 -3,-1.6 3,-1.4 -6,-0.2 -1,-0.3 0.139 66.2 113.1-106.9 18.5 205.4 405.4 182.8 265 416 A D T < + 0 0 88 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.768 69.6 60.6 -60.8 -28.6 205.2 405.7 179.0 266 417 A A T 3 S+ 0 0 49 -3,-0.3 -1,-0.3 -4,-0.1 2,-0.2 0.651 90.6 85.9 -75.9 -15.1 204.6 401.9 178.7 267 418 A F < + 0 0 2 -3,-1.4 2,-0.3 -13,-0.1 -3,-0.0 -0.594 55.9 175.5 -90.0 150.7 201.4 402.0 180.7 268 419 A C >> - 0 0 52 -2,-0.2 3,-1.2 1,-0.0 4,-0.8 -0.932 45.7 -99.8-147.8 167.7 198.0 402.8 179.1 269 420 A S H 3> S+ 0 0 63 -2,-0.3 4,-2.8 1,-0.3 3,-0.2 0.783 114.5 68.4 -63.5 -27.8 194.3 403.0 180.0 270 421 A Y H 3> S+ 0 0 58 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.837 94.7 57.9 -62.9 -29.0 193.7 399.6 178.5 271 422 A H H <> S+ 0 0 14 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.915 109.5 43.8 -61.2 -44.7 195.7 398.2 181.4 272 423 A V H X S+ 0 0 0 -4,-0.8 4,-2.4 -3,-0.2 -2,-0.2 0.903 113.3 50.4 -66.0 -45.1 193.3 399.8 183.8 273 424 A K H X S+ 0 0 24 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.909 111.6 49.0 -60.3 -42.6 190.2 398.7 181.7 274 425 A T H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.922 110.1 52.0 -62.9 -44.0 191.6 395.1 181.7 275 426 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.922 110.2 47.1 -57.8 -46.6 192.2 395.2 185.4 276 427 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.856 105.2 59.5 -72.8 -28.3 188.6 396.3 186.2 277 428 A F H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.941 108.0 47.2 -56.8 -46.8 187.2 393.7 183.9 278 429 A H H X S+ 0 0 45 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.876 110.7 51.7 -60.9 -37.3 188.9 391.1 186.1 279 430 A M H X S+ 0 0 3 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.883 105.7 53.7 -69.2 -37.6 187.5 392.9 189.2 280 431 A W H < S+ 0 0 1 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.769 110.9 48.3 -67.2 -27.4 184.0 392.8 187.8 281 432 A T H < S+ 0 0 42 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.883 112.9 46.8 -73.3 -43.0 184.4 389.0 187.4 282 433 A Q H < S+ 0 0 122 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.865 124.2 32.9 -69.6 -36.7 185.8 388.6 190.9 283 434 A D S < S+ 0 0 17 -4,-2.7 -1,-0.3 -5,-0.2 5,-0.1 -0.735 72.2 160.3-121.1 79.9 183.1 390.7 192.4 284 435 A P + 0 0 25 0, 0.0 -55,-0.4 0, 0.0 2,-0.2 0.698 39.9 101.0 -75.2 -23.7 180.0 390.1 190.3 285 436 A Q > - 0 0 87 1,-0.2 3,-1.7 -57,-0.1 4,-0.3 -0.429 67.4-142.6 -72.4 135.3 177.2 391.2 192.7 286 437 A D G > S+ 0 0 24 1,-0.3 3,-1.9 2,-0.2 -44,-0.2 0.829 102.1 67.4 -62.5 -27.0 175.8 394.6 192.0 287 438 A S G > S+ 0 0 84 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.714 92.0 60.2 -66.5 -19.0 175.7 395.0 195.8 288 439 A Q G < S+ 0 0 70 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.544 106.2 48.1 -83.5 -8.3 179.5 395.0 195.8 289 440 A W G < S+ 0 0 2 -3,-1.9 -47,-2.8 -4,-0.3 -46,-0.3 -0.081 76.2 149.2-123.5 32.7 179.4 398.1 193.6 290 441 A D X - 0 0 48 -3,-0.8 3,-2.5 -49,-0.2 7,-0.2 -0.440 56.0-124.6 -64.9 137.4 176.9 400.2 195.6 291 442 A P G > S+ 0 0 61 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.827 110.4 67.5 -55.1 -28.1 177.6 403.9 195.2 292 443 A R G 3 S+ 0 0 190 1,-0.3 3,-0.2 2,-0.1 -2,-0.1 0.710 102.1 47.2 -62.8 -20.9 177.8 404.0 199.1 293 444 A N G <> S+ 0 0 61 -3,-2.5 4,-2.4 1,-0.2 3,-0.3 0.048 71.2 123.4-112.9 25.1 180.9 401.9 198.9 294 445 A L H <> S+ 0 0 19 -3,-1.6 4,-2.9 1,-0.2 5,-0.3 0.904 73.8 53.1 -48.1 -51.3 182.8 403.8 196.2 295 446 A S H > S+ 0 0 83 1,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.874 112.4 44.9 -57.2 -41.5 185.9 404.4 198.4 296 447 A S H > S+ 0 0 56 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.847 112.7 49.8 -72.7 -37.5 186.1 400.7 199.2 297 448 A C H X S+ 0 0 5 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.899 111.6 49.2 -68.5 -40.8 185.6 399.6 195.6 298 449 A F H X S+ 0 0 3 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.926 111.3 50.7 -62.2 -43.0 188.3 402.0 194.4 299 450 A D H X S+ 0 0 63 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.920 109.5 49.1 -61.8 -45.0 190.6 400.7 197.1 300 451 A K H X S+ 0 0 110 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.839 110.6 51.3 -61.5 -38.5 190.1 397.1 196.1 301 452 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.917 110.3 49.1 -64.5 -43.2 190.7 397.9 192.4 302 453 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.881 110.7 50.7 -60.4 -42.4 193.9 399.7 193.4 303 454 A A H X S+ 0 0 40 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.917 111.7 46.9 -63.5 -45.1 195.0 396.7 195.5 304 455 A F H X S+ 0 0 47 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.939 111.7 51.0 -61.6 -46.3 194.3 394.3 192.6 305 456 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.905 110.1 49.8 -59.4 -41.9 196.2 396.6 190.2 306 457 A L H X S+ 0 0 18 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.842 109.6 50.9 -65.1 -35.7 199.2 396.7 192.5 307 458 A E H X S+ 0 0 85 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.870 107.3 54.1 -70.1 -36.3 199.2 392.9 192.8 308 459 A C H <>S+ 0 0 6 -4,-2.4 5,-2.4 1,-0.2 4,-0.4 0.924 111.2 46.3 -59.3 -44.8 199.2 392.7 189.0 309 460 A L H ><5S+ 0 0 3 -4,-2.0 3,-0.7 3,-0.2 -2,-0.2 0.915 113.2 47.9 -59.8 -49.7 202.2 394.9 189.0 310 461 A R H 3<5S+ 0 0 165 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.890 117.0 41.3 -65.1 -41.6 204.1 393.0 191.7 311 462 A T T 3<5S- 0 0 64 -4,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.423 105.7-129.1 -86.3 -0.7 203.4 389.6 190.1 312 463 A E T < 5 + 0 0 43 -3,-0.7 2,-0.4 -4,-0.4 -3,-0.2 0.888 69.3 121.0 52.6 44.3 204.1 391.0 186.7 313 464 A K < + 0 0 103 -5,-2.4 2,-0.2 -6,-0.2 -2,-0.2 -0.960 22.4 148.9-145.8 119.8 200.9 389.5 185.5 314 465 A L - 0 0 3 -2,-0.4 10,-2.7 -3,-0.1 11,-0.3 -0.761 33.9-151.2-145.9 94.7 197.8 391.1 183.9 315 466 A D B -K 323 0D 33 -2,-0.2 8,-0.2 8,-0.2 6,-0.1 -0.492 25.3-104.8 -74.7 138.1 196.1 388.7 181.5 316 467 A H - 0 0 16 6,-3.0 6,-0.2 3,-0.6 -1,-0.1 -0.296 30.1-128.6 -53.4 138.9 194.2 390.1 178.6 317 468 A Y S S+ 0 0 2 1,-0.2 -142,-2.6 -143,-0.1 -1,-0.1 0.789 105.4 32.3 -69.1 -26.8 190.5 389.6 179.4 318 469 A F S S+ 0 0 1 -144,-0.3 -144,-0.4 1,-0.2 -1,-0.2 0.562 125.5 42.7-103.0 -15.3 189.7 387.9 176.1 319 470 A I > - 0 0 0 3,-0.2 3,-2.2 1,-0.1 -3,-0.6 -0.755 68.8-171.6-137.6 84.2 193.0 386.1 175.6 320 471 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -149,-0.1 0.718 81.1 55.0 -59.7 -28.2 194.1 384.7 178.9 321 472 A K T 3 S+ 0 0 99 -151,-0.4 2,-0.9 -6,-0.1 -236,-0.1 0.535 86.6 93.0 -83.5 -4.7 197.6 383.6 177.9 322 473 A F < - 0 0 24 -3,-2.2 -6,-3.0 -6,-0.2 2,-0.8 -0.790 65.9-159.2 -90.3 107.5 198.4 387.1 176.7 323 474 A N B > -K 315 0D 36 -2,-0.9 3,-1.5 -8,-0.2 -8,-0.2 -0.785 11.7-167.6 -93.6 110.1 200.1 388.8 179.6 324 475 A L T 3 S+ 0 0 11 -10,-2.7 -1,-0.2 -2,-0.8 -9,-0.1 0.731 90.9 50.5 -65.1 -23.0 200.0 392.6 179.2 325 476 A F T 3 S+ 0 0 0 -11,-0.3 -1,-0.3 4,-0.1 -10,-0.1 -0.006 80.5 139.7-107.6 25.2 202.5 392.9 182.0 326 477 A S X> - 0 0 26 -3,-1.5 4,-3.2 -12,-0.2 3,-0.6 -0.328 65.4-118.2 -63.7 152.6 205.1 390.5 180.6 327 478 A Q T 34 S+ 0 0 97 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.850 116.2 61.4 -58.7 -35.5 208.7 391.4 180.9 328 479 A E T 34 S+ 0 0 153 1,-0.2 -1,-0.2 3,-0.1 3,-0.1 0.855 115.0 32.8 -58.9 -35.3 208.8 391.4 177.1 329 480 A L T <4 S+ 0 0 74 -3,-0.6 2,-0.4 1,-0.3 -2,-0.2 0.865 131.3 20.9 -90.7 -42.4 206.3 394.2 177.1 330 481 A I S < S- 0 0 5 -4,-3.2 -1,-0.3 -18,-0.1 5,-0.0 -0.983 80.2-120.9-136.5 125.1 207.1 396.2 180.2 331 482 A D >> - 0 0 76 -2,-0.4 4,-1.6 -3,-0.1 3,-0.8 -0.300 23.5-122.0 -63.2 143.0 210.4 396.2 182.1 332 483 A R H 3> S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.854 111.3 57.8 -51.4 -41.6 210.2 395.1 185.7 333 484 A K H 3> S+ 0 0 151 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.846 103.0 53.2 -62.6 -35.5 211.7 398.4 186.9 334 485 A S H <> S+ 0 0 30 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.896 109.8 47.9 -65.1 -43.0 208.8 400.4 185.2 335 486 A K H X S+ 0 0 2 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.873 112.0 49.5 -66.5 -37.0 206.3 398.3 187.1 336 487 A E H X S+ 0 0 83 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.860 109.3 53.3 -67.9 -34.9 208.1 398.8 190.3 337 488 A F H X S+ 0 0 53 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.927 110.0 46.9 -63.8 -44.2 208.2 402.5 189.6 338 489 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.872 108.3 55.4 -68.9 -38.3 204.4 402.6 189.1 339 490 A S H X S+ 0 0 16 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.926 107.7 49.8 -57.1 -47.8 203.8 400.6 192.3 340 491 A K H X S+ 0 0 136 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.908 112.5 46.5 -59.5 -44.9 205.7 403.1 194.4 341 492 A K H X S+ 0 0 67 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.882 114.6 46.6 -66.5 -41.2 203.8 406.0 192.9 342 493 A I H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.925 112.1 50.1 -68.4 -44.3 200.4 404.4 193.3 343 494 A E H X S+ 0 0 91 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.900 109.8 52.3 -59.0 -42.2 201.2 403.3 196.9 344 495 A Y H X S+ 0 0 127 -4,-2.1 4,-0.9 -5,-0.2 6,-0.2 0.950 112.4 43.1 -59.3 -52.5 202.3 406.8 197.7 345 496 A E H ><>S+ 0 0 17 -4,-2.1 5,-3.2 1,-0.2 3,-0.6 0.911 115.3 51.0 -59.4 -43.7 199.1 408.4 196.4 346 497 A R H ><5S+ 0 0 77 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.860 112.4 45.9 -60.8 -38.8 197.1 405.7 198.1 347 498 A N H 3<5S+ 0 0 118 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.581 115.7 45.5 -82.6 -11.3 198.8 406.3 201.4 348 499 A N T <<5S- 0 0 89 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.077 119.2 -92.6-127.6 23.2 198.5 410.0 201.4 349 500 A G T < 5 - 0 0 31 -3,-0.6 -3,-0.2 -4,-0.2 -4,-0.1 0.696 68.9 -78.0 77.1 21.4 195.0 410.8 200.3 350 501 A F > < + 0 0 21 -5,-3.2 3,-1.6 -6,-0.2 4,-0.2 0.943 57.4 179.8 55.0 60.2 195.7 411.0 196.6 351 502 A P G > S+ 0 0 53 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.768 76.2 69.5 -60.2 -22.7 197.2 414.5 196.4 352 503 A I G > S+ 0 0 8 1,-0.3 3,-0.9 2,-0.1 -2,-0.1 0.720 83.7 70.6 -71.6 -18.9 197.7 414.1 192.6 353 504 A F G < S+ 0 0 1 -3,-1.6 -1,-0.3 1,-0.3 -3,-0.1 0.648 87.6 65.7 -66.1 -17.6 193.9 414.3 192.3 354 505 A D G < 0 0 122 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.1 -0.101 360.0 360.0 -94.9 35.5 194.2 418.0 193.1 355 506 A K < 0 0 192 -3,-0.9 -1,-0.1 0, 0.0 -3,-0.0 -0.203 360.0 360.0 58.2 360.0 196.1 418.5 189.9