==== 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 4K97 . COMPND 2 MOLECULE: CYCLIC GMP-AMP SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR P.GAO,Y.WU,D.J.PATEL . 351 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 70.1 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 12.5 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 . 2 0.6 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 . 28 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 31.6 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 0 0 1 1 1 0 0 0 0 1 1 1 1 1 0 0 0 1 0 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 . 0 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 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 0 150 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -57.1 16.2 221.7 198.6 2 150 A L H > + 0 0 13 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.821 360.0 58.3 -66.5 -29.7 16.4 219.3 195.7 3 151 A K H > S+ 0 0 156 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.891 102.4 52.7 -64.8 -39.2 12.9 220.7 194.9 4 152 A K H > S+ 0 0 161 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.937 110.0 48.5 -57.5 -47.7 14.6 224.1 194.7 5 153 A V H X S+ 0 0 12 -4,-1.9 4,-2.1 1,-0.2 3,-0.3 0.920 109.1 51.9 -61.3 -46.0 17.1 222.6 192.2 6 154 A L H X S+ 0 0 19 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.897 105.2 55.2 -58.9 -43.0 14.4 221.0 190.1 7 155 A D H < S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.876 110.3 47.6 -55.2 -37.5 12.4 224.3 189.8 8 156 A K H < S+ 0 0 94 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.880 112.8 47.2 -72.3 -38.7 15.6 225.8 188.4 9 157 A L H < S+ 0 0 0 -4,-2.1 50,-1.1 -5,-0.1 -2,-0.2 0.693 87.3 111.5 -74.7 -20.9 16.2 222.9 185.9 10 158 A R S < S- 0 0 130 -4,-1.8 48,-0.1 -5,-0.2 -3,-0.0 -0.359 73.0-118.7 -62.0 127.7 12.5 223.0 184.8 11 159 A L - 0 0 36 46,-0.3 2,-0.4 -2,-0.1 49,-0.1 -0.276 22.0-121.4 -67.2 149.7 12.2 224.2 181.2 12 160 A K > - 0 0 130 47,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.790 6.8-138.7 -96.4 136.4 10.3 227.4 180.3 13 161 A R H > S+ 0 0 211 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.863 106.0 54.8 -60.3 -38.8 7.4 227.3 177.9 14 162 A K H > S+ 0 0 143 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 111.3 44.8 -59.9 -42.5 8.5 230.5 176.2 15 163 A D H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.918 112.1 52.3 -68.2 -43.9 11.9 228.9 175.6 16 164 A I H X S+ 0 0 53 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.929 109.9 49.6 -54.5 -48.1 10.4 225.7 174.4 17 165 A S H X S+ 0 0 76 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.921 112.7 44.0 -60.5 -49.2 8.2 227.6 171.9 18 166 A E H X S+ 0 0 69 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.893 117.6 45.6 -66.9 -38.8 10.9 229.7 170.3 19 167 A A H X S+ 0 0 3 -4,-2.3 4,-3.0 -5,-0.2 -2,-0.2 0.945 113.8 47.1 -69.5 -47.3 13.3 226.7 170.1 20 168 A A H X S+ 0 0 15 -4,-2.7 4,-3.1 -5,-0.2 5,-0.3 0.878 106.5 57.4 -62.2 -43.2 10.8 224.2 168.7 21 169 A E H X S+ 0 0 126 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.945 115.1 37.8 -53.8 -50.1 9.5 226.6 166.0 22 170 A T H X S+ 0 0 5 -4,-1.3 4,-2.0 -5,-0.2 -2,-0.2 0.943 117.4 49.4 -68.5 -50.6 13.0 227.0 164.6 23 171 A V H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.945 111.3 49.3 -52.8 -53.6 14.1 223.4 165.1 24 172 A N H X S+ 0 0 84 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.866 108.8 52.8 -56.7 -41.6 11.0 221.9 163.4 25 173 A K H X S+ 0 0 98 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.924 112.0 45.5 -59.3 -46.2 11.3 224.2 160.4 26 174 A V H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.910 114.9 45.5 -67.0 -44.7 14.9 223.2 159.7 27 175 A V H X S+ 0 0 2 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.923 110.1 53.4 -67.8 -46.8 14.3 219.4 160.2 28 176 A E H X S+ 0 0 96 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.913 110.4 49.4 -51.8 -43.7 11.2 219.3 158.1 29 177 A R H X S+ 0 0 83 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.874 112.8 46.4 -65.8 -37.4 13.2 221.1 155.3 30 178 A L H X S+ 0 0 1 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.916 111.6 50.6 -70.8 -44.1 16.0 218.5 155.6 31 179 A L H X S+ 0 0 28 -4,-3.2 4,-0.5 1,-0.2 -2,-0.2 0.886 110.3 51.4 -59.2 -41.0 13.6 215.5 155.7 32 180 A R H >< S+ 0 0 153 -4,-2.1 3,-1.3 -5,-0.3 4,-0.2 0.914 106.7 51.8 -65.1 -45.8 11.9 216.8 152.5 33 181 A R H >< S+ 0 0 50 -4,-1.8 3,-1.8 1,-0.3 -1,-0.2 0.899 103.6 60.5 -55.2 -41.3 15.2 217.3 150.6 34 182 A M H 3< S+ 0 0 1 -4,-1.9 -1,-0.3 1,-0.3 10,-0.2 0.704 97.9 59.6 -61.5 -21.4 16.0 213.7 151.5 35 183 A Q T << S+ 0 0 46 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.447 75.3 123.4 -88.5 -2.2 12.9 212.5 149.6 36 184 A K S X S- 0 0 63 -3,-1.8 3,-1.0 -4,-0.2 5,-0.1 -0.396 74.5 -91.8 -67.4 135.9 13.9 213.9 146.3 37 185 A R T 3 S+ 0 0 165 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.012 108.9 25.5 -47.0 147.0 14.0 211.4 143.5 38 186 A E T 3 S+ 0 0 186 1,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.646 88.7 127.6 67.0 17.0 17.3 209.6 142.8 39 187 A S X - 0 0 16 -3,-1.0 3,-1.0 1,-0.1 -1,-0.3 -0.810 63.0-136.5 -92.1 144.9 18.5 210.1 146.4 40 188 A E T 3 S+ 0 0 29 -2,-0.4 3,-0.2 1,-0.2 -1,-0.1 0.774 104.1 56.9 -70.3 -23.1 19.6 206.9 148.1 41 189 A F T > + 0 0 0 1,-0.2 3,-1.7 -7,-0.1 -1,-0.2 -0.012 66.2 131.3 -98.4 29.9 17.7 208.0 151.2 42 190 A K T < S+ 0 0 113 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.458 72.1 47.0 -69.9 -0.7 14.3 208.4 149.5 43 191 A G T 3 S+ 0 0 39 -3,-0.2 -1,-0.3 -9,-0.1 28,-0.2 0.474 76.4 136.2-114.5 -2.3 12.4 206.4 152.1 44 192 A V < - 0 0 4 -3,-1.7 2,-0.3 -10,-0.2 26,-0.2 -0.106 34.2-162.0 -55.7 140.4 13.7 207.9 155.4 45 193 A E E -A 69 0A 113 24,-1.9 24,-3.1 2,-0.0 2,-0.3 -0.914 19.5-112.9-120.1 151.9 11.1 208.6 158.1 46 194 A Q E +A 68 0A 72 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.627 28.9 178.1 -87.9 139.8 11.6 210.9 161.1 47 195 A L E -A 67 0A 29 20,-2.4 20,-3.1 -2,-0.3 2,-0.4 -0.952 22.3-141.2-136.9 118.1 11.7 209.7 164.7 48 196 A N E +A 66 0A 38 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.660 33.4 171.7 -82.7 128.1 12.2 212.2 167.5 49 197 A T E +A 65 0A 4 16,-1.8 16,-0.7 -2,-0.4 4,-0.4 -0.790 20.3 32.4-130.5 169.8 14.5 210.8 170.2 50 198 A G S >> S- 0 0 13 -2,-0.3 4,-1.5 165,-0.2 3,-0.6 -0.118 94.9 -22.0 86.7-174.4 16.4 211.7 173.3 51 199 A S T 34>S+ 0 0 18 1,-0.2 5,-2.6 2,-0.2 6,-0.9 0.807 127.0 47.9 -41.9 -58.4 16.2 214.0 176.3 52 200 A Y T >45S+ 0 0 43 11,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.885 116.0 44.0 -56.9 -43.3 13.9 216.7 175.0 53 201 A Y T <45S+ 0 0 40 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.634 112.5 51.9 -83.5 -13.8 11.3 214.3 173.6 54 202 A E T 3<5S- 0 0 6 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.408 113.2-119.8 -94.4 -0.2 11.4 212.1 176.7 55 203 A H T < 5S+ 0 0 120 -3,-0.8 -3,-0.2 -4,-0.5 -2,-0.1 0.860 88.2 106.0 63.5 38.2 10.8 215.2 178.8 56 204 A V < + 0 0 1 -5,-2.6 -4,-0.2 -6,-0.2 2,-0.2 0.191 38.6 124.4-127.8 13.1 14.1 214.8 180.8 57 205 A K - 0 0 14 -6,-0.9 -46,-0.3 -7,-0.1 2,-0.2 -0.544 49.3-151.2 -67.5 136.8 16.0 217.7 179.1 58 206 A I - 0 0 2 -2,-0.2 2,-3.3 2,-0.2 -48,-0.1 -0.708 52.5 -1.3-113.4 164.9 17.3 220.1 181.8 59 207 A S S S+ 0 0 54 -50,-1.1 -47,-0.2 -2,-0.2 -2,-0.0 -0.203 122.7 7.0 64.9 -59.0 18.1 223.8 182.1 60 208 A A - 0 0 29 -2,-3.3 2,-2.0 -49,-0.1 3,-0.3 -0.991 68.7-115.5-156.1 147.8 17.4 224.8 178.5 61 209 A P S S+ 0 0 8 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.509 72.5 123.6 -82.2 70.1 15.9 223.4 175.3 62 210 A N + 0 0 64 -2,-2.0 90,-2.8 1,-0.2 2,-0.4 0.281 56.5 57.2-116.3 5.1 19.3 223.7 173.5 63 211 A E E - b 0 152A 57 -3,-0.3 2,-0.4 88,-0.2 -11,-0.4 -0.956 58.3-179.5-142.0 122.6 20.0 220.1 172.3 64 212 A F E - b 0 153A 0 88,-3.4 90,-2.7 -2,-0.4 2,-0.4 -0.970 11.6-156.6-125.3 136.7 17.7 218.1 170.1 65 213 A D E +Ab 49 154A 28 -16,-0.7 -16,-1.8 -2,-0.4 2,-0.4 -0.926 14.1 178.4-111.4 133.0 18.2 214.5 168.7 66 214 A V E -Ab 48 155A 0 88,-2.9 90,-3.2 -2,-0.4 2,-0.5 -0.985 16.1-150.2-137.4 127.1 16.4 213.3 165.6 67 215 A M E -Ab 47 156A 1 -20,-3.1 -20,-2.4 -2,-0.4 2,-0.7 -0.813 0.7-161.6 -93.7 126.7 16.6 209.9 163.9 68 216 A F E -Ab 46 157A 0 88,-2.6 90,-2.2 -2,-0.5 2,-0.4 -0.943 24.6-158.7 -99.9 108.1 16.1 209.7 160.1 69 217 A K E -Ab 45 158A 22 -24,-3.1 -24,-1.9 -2,-0.7 2,-0.5 -0.772 11.6-161.3-103.1 131.0 15.4 206.0 159.7 70 218 A L E - b 0 159A 14 88,-3.5 90,-3.5 -2,-0.4 2,-0.7 -0.925 17.3-135.5-111.4 121.2 15.7 203.9 156.5 71 219 A E E - b 0 160A 68 -2,-0.5 90,-0.1 88,-0.2 88,-0.1 -0.643 25.8-179.7 -72.8 111.2 14.0 200.6 156.0 72 220 A V - 0 0 11 88,-1.8 3,-0.2 -2,-0.7 90,-0.1 -0.848 16.9-150.8-116.6 94.4 16.6 198.3 154.5 73 221 A P + 0 0 61 0, 0.0 19,-0.2 0, 0.0 88,-0.0 -0.149 65.4 19.0 -68.2 156.6 15.0 194.9 153.9 74 222 A R S S+ 0 0 174 1,-0.2 18,-1.8 17,-0.1 2,-0.4 0.934 77.1 167.6 52.7 64.8 16.8 191.5 154.0 75 223 A I E -C 91 0A 25 16,-0.2 2,-0.5 -3,-0.2 16,-0.2 -0.905 25.8-149.0-112.0 133.5 19.9 192.4 155.9 76 224 A E E -C 90 0A 104 14,-2.7 14,-2.2 -2,-0.4 2,-0.4 -0.876 14.0-150.3 -99.0 133.1 22.4 189.9 157.3 77 225 A L E -C 89 0A 56 -2,-0.5 2,-0.5 12,-0.2 12,-0.2 -0.854 10.9-169.3-104.8 133.9 24.3 190.8 160.5 78 226 A Q E -C 88 0A 112 10,-2.3 10,-2.6 -2,-0.4 2,-0.1 -0.990 28.9-124.3-116.0 123.2 27.8 189.6 161.5 79 227 A E E -C 87 0A 52 -2,-0.5 2,-1.0 8,-0.2 8,-0.2 -0.399 20.6-124.5 -64.6 135.7 28.8 190.5 165.0 80 228 A Y > - 0 0 27 6,-2.7 3,-1.3 -2,-0.1 6,-0.3 -0.762 66.1 -58.7 -86.7 104.9 32.0 192.5 165.2 81 229 A Y T 3 S- 0 0 170 -2,-1.0 3,-0.1 1,-0.2 -2,-0.1 -0.400 101.8 -40.1 55.0-122.6 34.2 190.4 167.5 82 230 A E T 3 S+ 0 0 153 -2,-0.2 -1,-0.2 1,-0.1 -3,-0.0 0.100 102.0 110.2-125.1 22.9 32.5 189.9 170.9 83 231 A T < - 0 0 30 -3,-1.3 -2,-0.1 3,-0.1 -1,-0.1 0.816 60.6-152.2 -69.2 -35.8 31.0 193.4 171.6 84 232 A G S S+ 0 0 0 2,-0.3 84,-0.1 -4,-0.2 -1,-0.1 0.066 86.4 61.3 81.6 -25.7 27.4 192.4 171.2 85 233 A A S S+ 0 0 1 -5,-0.2 127,-1.8 232,-0.1 2,-0.3 0.764 88.7 70.6-103.0 -34.6 26.6 196.0 170.0 86 234 A F E + D 0 211A 21 -6,-0.3 -6,-2.7 125,-0.2 2,-0.3 -0.691 59.9 177.5 -96.5 143.4 28.7 196.5 166.9 87 235 A Y E -CD 79 210A 7 123,-2.3 123,-2.3 -2,-0.3 2,-0.4 -0.937 30.6-133.1-141.6 156.6 28.0 194.8 163.5 88 236 A L E -C 78 0A 24 -10,-2.6 -10,-2.3 -2,-0.3 2,-0.4 -0.932 32.3-142.1-106.3 140.3 29.0 194.4 159.9 89 237 A V E +CE 77 104A 0 15,-0.5 15,-3.2 -2,-0.4 2,-0.3 -0.894 22.2 173.9-113.3 128.7 26.1 194.6 157.4 90 238 A K E -CE 76 103A 57 -14,-2.2 -14,-2.7 -2,-0.4 2,-0.3 -0.917 26.2-120.5-127.5 157.1 25.6 192.5 154.2 91 239 A F E C 75 0A 82 11,-0.6 -16,-0.2 -2,-0.3 -17,-0.1 -0.744 360.0 360.0 -97.0 145.2 22.7 192.2 151.7 92 240 A K 0 0 166 -18,-1.8 -1,-0.2 -2,-0.3 -17,-0.1 0.831 360.0 360.0 -87.3 360.0 20.9 189.0 150.8 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 94 247 A P 0 0 141 0, 0.0 -54,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.1 20.4 201.3 145.0 95 248 A L > + 0 0 17 1,-0.2 3,-0.5 2,-0.1 14,-0.1 0.723 360.0 123.8 47.1 21.9 22.8 201.7 147.9 96 249 A S T 3 + 0 0 81 1,-0.2 -1,-0.2 2,-0.1 8,-0.0 0.125 64.9 55.9 -96.3 19.6 25.1 199.6 145.6 97 250 A H T 3 S+ 0 0 98 3,-0.0 -1,-0.2 1,-0.0 -2,-0.1 0.214 91.0 68.7-132.7 7.1 27.8 202.2 145.8 98 251 A F S < S+ 0 0 7 -3,-0.5 7,-2.3 11,-0.0 11,-0.3 0.286 82.9 119.5-100.0 4.3 28.2 202.3 149.6 99 252 A L E -F 104 0A 56 5,-0.2 5,-0.2 9,-0.1 2,-0.1 -0.169 48.5-168.7 -76.4 161.4 29.6 198.9 149.4 100 253 A E E > S-F 103 0A 91 3,-1.2 3,-1.3 108,-0.0 2,-0.9 -0.648 78.8 -55.3-144.6 78.1 33.0 197.5 150.4 101 254 A G T 3 S- 0 0 70 1,-0.2 -2,-0.1 -2,-0.1 0, 0.0 -0.777 122.1 -23.6 80.5-109.2 33.0 194.0 148.9 102 255 A E T 3 S+ 0 0 134 -2,-0.9 -11,-0.6 -3,-0.1 2,-0.5 0.318 120.1 103.7-109.7 3.7 29.8 192.6 150.4 103 256 A V E < -EF 90 100A 25 -3,-1.3 -3,-1.2 -13,-0.1 2,-0.7 -0.758 69.6-134.6 -96.1 124.3 29.9 195.0 153.3 104 257 A L E -EF 89 99A 1 -15,-3.2 2,-0.5 -2,-0.5 -15,-0.5 -0.666 29.7-135.0 -72.0 114.5 27.6 198.1 153.6 105 258 A S > - 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0 0 65 -2,-0.2 -5,-3.0 51,-0.0 -4,-0.2 -0.855 34.8-123.8-108.7 137.2 -0.3 209.3 191.1 238 391 A K - 0 0 116 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.1 -0.486 27.5-165.6 -68.0 142.8 2.9 211.3 190.3 239 392 A C - 0 0 3 49,-0.2 49,-0.2 -2,-0.2 4,-0.2 -0.739 23.9-129.0-117.2 175.2 6.2 209.5 190.9 240 393 A C S > S+ 0 0 2 47,-2.6 4,-1.9 -2,-0.3 5,-0.2 0.105 71.7 112.7-111.6 21.1 9.7 211.0 191.0 241 394 A R H > S+ 0 0 0 46,-0.3 4,-1.7 1,-0.2 3,-0.4 0.968 81.6 42.3 -56.5 -57.6 11.4 208.7 188.6 242 395 A K H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.868 112.2 54.3 -59.9 -38.5 12.0 211.4 185.9 243 396 A E H > S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.831 105.3 53.6 -68.6 -30.9 13.1 214.0 188.5 244 397 A C H X S+ 0 0 0 -4,-1.9 4,-2.1 -3,-0.4 -1,-0.2 0.902 108.0 51.4 -62.7 -41.5 15.7 211.6 189.9 245 398 A L H X S+ 0 0 2 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.905 108.7 51.1 -64.2 -39.3 17.1 211.2 186.4 246 399 A K H X S+ 0 0 40 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.917 109.1 50.1 -63.3 -44.0 17.3 215.0 186.0 247 400 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.876 112.5 46.8 -63.9 -37.4 19.2 215.5 189.3 248 401 A M H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.904 112.8 48.9 -73.5 -40.1 21.7 212.8 188.4 249 402 A K H X S+ 0 0 15 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.899 110.1 52.7 -62.3 -40.6 22.2 214.3 184.9 250 403 A Y H X S+ 0 0 9 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.951 107.4 51.9 -60.8 -48.3 22.6 217.7 186.4 251 404 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.926 114.5 41.3 -51.9 -52.8 25.3 216.5 188.7 252 405 A L H X S+ 0 0 10 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.935 111.9 55.9 -61.7 -47.8 27.3 214.9 185.9 253 406 A E H X S+ 0 0 78 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.841 110.8 44.9 -54.5 -39.2 26.8 217.8 183.6 254 407 A Q H X S+ 0 0 34 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.910 112.8 49.7 -71.8 -46.0 28.2 220.3 186.2 255 408 A L H X S+ 0 0 1 -4,-2.2 4,-1.2 -5,-0.2 3,-0.5 0.890 110.8 50.2 -59.8 -41.2 31.2 218.0 187.0 256 409 A K H < S+ 0 0 70 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.827 100.8 67.0 -65.8 -33.1 32.0 217.6 183.2 257 410 A K H < S+ 0 0 163 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.855 114.5 24.4 -54.8 -40.8 31.8 221.4 182.9 258 411 A E H < S+ 0 0 128 -4,-1.0 2,-0.5 -3,-0.5 -1,-0.2 0.491 115.6 62.4-112.0 -3.6 34.9 222.1 185.0 259 412 A F >< - 0 0 40 -4,-1.2 3,-1.6 -5,-0.2 -1,-0.2 -0.918 51.8-171.1-127.2 109.7 36.9 218.8 184.7 260 413 A Q G > S+ 0 0 163 -2,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.673 83.7 74.4 -67.9 -16.9 38.2 217.8 181.3 261 414 A E G 3 S+ 0 0 102 1,-0.3 -1,-0.3 3,-0.0 75,-0.1 0.521 86.2 64.2 -75.6 -2.9 39.2 214.5 182.9 262 415 A L G X S+ 0 0 0 -3,-1.6 3,-1.3 -6,-0.2 -1,-0.3 0.272 72.0 121.4-105.3 9.2 35.6 213.5 183.0 263 416 A D T < + 0 0 85 -3,-1.5 3,-0.1 1,-0.2 -3,-0.0 -0.311 62.0 49.4 -58.1 159.3 35.3 213.5 179.2 264 417 A A T 3 S+ 0 0 67 1,-0.4 2,-0.3 64,-0.1 -1,-0.2 0.325 90.1 100.5 77.4 -6.7 34.2 210.1 177.9 265 418 A F < + 0 0 1 -3,-1.3 -1,-0.4 -13,-0.1 2,-0.3 -0.827 53.4 175.3 -96.1 150.7 31.4 210.1 180.5 266 419 A C >> - 0 0 52 -2,-0.3 4,-0.8 -3,-0.1 3,-0.6 -0.894 47.3 -95.4-146.6 171.1 28.0 211.0 179.1 267 420 A S H 3> S+ 0 0 65 -2,-0.3 4,-2.2 1,-0.2 3,-0.4 0.786 115.1 68.8 -63.4 -30.2 24.4 211.2 180.0 268 421 A Y H 3> S+ 0 0 64 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.854 92.3 59.0 -57.1 -38.2 23.7 207.7 178.7 269 422 A H H <> S+ 0 0 15 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.913 109.7 44.1 -53.9 -42.3 25.8 206.3 181.5 270 423 A V H X S+ 0 0 0 -4,-0.8 4,-1.9 -3,-0.4 -2,-0.2 0.920 112.9 50.9 -71.1 -40.8 23.3 207.9 183.9 271 424 A K H X S+ 0 0 25 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.930 111.9 47.4 -61.6 -47.2 20.3 206.8 181.9 272 425 A T H X S+ 0 0 2 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.898 109.1 54.6 -60.0 -41.6 21.5 203.2 181.9 273 426 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.882 110.8 45.0 -63.7 -36.6 22.2 203.3 185.6 274 427 A I H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.847 104.8 59.3 -80.5 -32.1 18.6 204.4 186.4 275 428 A F H X S+ 0 0 3 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.906 108.0 49.3 -55.5 -39.2 16.9 202.0 184.1 276 429 A H H X S+ 0 0 40 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.897 110.3 50.3 -66.1 -39.5 18.7 199.3 186.2 277 430 A M H X S+ 0 0 2 -4,-1.4 4,-3.3 2,-0.2 -2,-0.2 0.893 106.0 54.3 -63.2 -44.8 17.4 201.1 189.3 278 431 A W H < S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.802 111.7 46.6 -59.9 -30.0 13.8 201.1 188.0 279 432 A T H < S+ 0 0 40 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.878 113.3 47.7 -77.4 -42.6 14.2 197.4 187.5 280 433 A Q H < S+ 0 0 118 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.871 124.1 32.6 -66.7 -38.3 15.7 196.9 191.0 281 434 A D S < S+ 0 0 28 -4,-3.3 -1,-0.3 1,-0.1 -2,-0.1 -0.731 72.1 158.0-122.3 82.2 12.9 199.0 192.6 282 435 A P + 0 0 27 0, 0.0 -55,-0.5 0, 0.0 -1,-0.1 0.851 37.7 102.0 -78.7 -38.7 9.8 198.5 190.5 283 436 A Q > - 0 0 96 1,-0.1 3,-0.9 -56,-0.1 4,-0.2 -0.200 65.6-143.2 -50.9 130.5 7.0 199.4 193.0 284 437 A D G > S+ 0 0 22 1,-0.2 3,-2.3 2,-0.2 -1,-0.1 0.845 99.5 66.1 -63.0 -34.2 5.6 202.9 192.3 285 438 A S G > S+ 0 0 84 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.776 92.8 60.4 -60.2 -25.4 5.3 203.5 196.0 286 439 A Q G < S+ 0 0 58 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.586 104.9 50.9 -77.2 -8.7 9.1 203.4 196.2 287 440 A W G < S+ 0 0 3 -3,-2.3 -47,-2.6 -4,-0.2 -46,-0.3 -0.052 76.7 145.3-121.6 32.0 9.2 206.4 193.9 288 441 A D X - 0 0 46 -3,-1.0 3,-2.1 -49,-0.2 -49,-0.2 -0.467 59.8-120.5 -64.1 137.4 6.7 208.6 195.8 289 442 A P G > S+ 0 0 62 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.816 113.5 63.4 -45.8 -39.6 7.6 212.4 195.6 290 443 A R G 3 S+ 0 0 201 1,-0.3 3,-0.3 2,-0.1 -2,-0.0 0.764 102.5 50.4 -60.3 -26.4 7.9 212.4 199.4 291 444 A N G <> S+ 0 0 67 -3,-2.1 4,-1.5 1,-0.2 -1,-0.3 -0.024 75.1 117.9-101.3 28.4 10.8 210.0 199.1 292 445 A L H <> S+ 0 0 21 -3,-1.6 4,-2.3 1,-0.2 3,-0.2 0.929 70.2 53.1 -64.0 -49.8 12.7 212.0 196.5 293 446 A S H > S+ 0 0 86 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.885 112.7 44.7 -50.5 -46.2 15.8 212.7 198.5 294 447 A S H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.767 109.1 54.8 -77.6 -27.4 16.3 209.0 199.3 295 448 A C H X S+ 0 0 3 -4,-1.5 4,-2.1 -3,-0.2 -1,-0.2 0.906 109.2 49.0 -69.7 -40.2 15.7 207.8 195.7 296 449 A F H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.901 110.7 51.1 -62.0 -39.7 18.4 210.2 194.5 297 450 A D H X S+ 0 0 68 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.898 108.6 50.4 -68.7 -38.1 20.7 208.8 197.2 298 451 A K H X S+ 0 0 102 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.856 110.3 51.1 -64.2 -36.1 20.0 205.2 196.2 299 452 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.938 110.6 48.7 -64.3 -48.2 20.8 206.2 192.6 300 453 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.900 110.2 50.1 -59.7 -45.5 24.1 207.8 193.6 301 454 A A H X S+ 0 0 41 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.900 112.3 48.3 -63.3 -39.0 25.2 204.8 195.7 302 455 A F H X S+ 0 0 48 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.884 110.2 51.1 -68.5 -37.5 24.4 202.5 192.8 303 456 A F H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.928 110.1 49.4 -67.1 -44.5 26.3 204.7 190.3 304 457 A L H X S+ 0 0 14 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.917 108.3 54.3 -55.7 -43.8 29.4 204.7 192.6 305 458 A E H X S+ 0 0 87 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.878 109.7 47.1 -62.1 -35.6 29.2 200.9 192.9 306 459 A C H <>S+ 0 0 8 -4,-1.9 5,-2.0 2,-0.2 4,-0.4 0.880 113.1 49.8 -69.0 -36.9 29.2 200.7 189.1 307 460 A L H ><5S+ 0 0 3 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.925 111.9 47.0 -67.5 -44.8 32.1 203.1 189.1 308 461 A R H 3<5S+ 0 0 168 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.812 116.3 42.9 -69.0 -34.0 34.1 201.2 191.7 309 462 A T T 3<5S- 0 0 67 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.384 104.7-127.5 -95.8 3.0 33.6 197.7 190.1 310 463 A E T < 5S+ 0 0 42 -3,-0.7 2,-0.3 -4,-0.4 -3,-0.2 0.881 70.5 116.8 52.6 44.3 34.3 199.1 186.6 311 464 A K < + 0 0 116 -5,-2.0 2,-0.3 -6,-0.2 -2,-0.2 -0.923 27.8 158.5-149.6 122.1 31.0 197.6 185.3 312 465 A L - 0 0 2 -2,-0.3 10,-2.5 -3,-0.1 11,-0.3 -0.875 33.2-143.3-138.1 98.7 27.8 199.1 183.9 313 466 A D B -K 321 0B 58 -2,-0.3 8,-0.2 8,-0.2 6,-0.1 -0.460 22.9-112.6 -67.6 129.2 25.9 196.6 181.8 314 467 A H - 0 0 13 6,-2.4 6,-0.1 3,-0.7 -1,-0.1 -0.427 27.7-129.6 -54.5 132.1 24.2 198.0 178.7 315 468 A Y S S+ 0 0 2 1,-0.2 -142,-2.2 -143,-0.1 -1,-0.1 0.829 105.4 30.9 -64.3 -31.0 20.5 197.7 179.6 316 469 A F S S+ 0 0 2 -144,-0.3 -144,-0.4 1,-0.2 -1,-0.2 0.631 126.6 42.5 -96.2 -19.3 19.6 196.0 176.3 317 470 A I > - 0 0 1 3,-0.2 3,-1.8 1,-0.1 -3,-0.7 -0.772 62.4-176.4-134.2 85.5 23.0 194.2 175.8 318 471 A P T 3 S+ 0 0 46 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.775 81.7 61.9 -59.7 -32.2 24.3 192.6 179.1 319 472 A K T 3 S+ 0 0 106 -151,-0.4 2,-0.8 -6,-0.1 -235,-0.1 0.790 88.8 86.0 -56.6 -32.0 27.6 191.4 177.4 320 473 A F < - 0 0 34 -3,-1.8 -6,-2.4 -152,-0.1 2,-0.7 -0.659 65.2-161.6 -88.1 107.2 28.5 195.0 176.7 321 474 A N B > -K 313 0B 35 -2,-0.8 3,-1.3 -8,-0.2 -8,-0.2 -0.783 8.1-168.2 -90.2 111.8 30.2 196.8 179.6 322 475 A L T 3 S+ 0 0 12 -10,-2.5 -1,-0.1 -2,-0.7 -9,-0.1 0.618 90.5 49.0 -71.5 -14.5 30.0 200.6 179.2 323 476 A F T 3 S+ 0 0 0 -11,-0.3 -1,-0.3 -13,-0.1 4,-0.1 -0.037 81.4 140.9-116.2 27.5 32.6 201.0 182.0 324 477 A S <> - 0 0 29 -3,-1.3 4,-1.0 -12,-0.1 -13,-0.1 -0.037 69.4-106.9 -58.8 171.6 35.2 198.5 180.7 325 478 A Q T 4 S+ 0 0 95 2,-0.1 -1,-0.1 -15,-0.1 5,-0.1 0.897 115.4 63.0 -69.2 -40.0 38.9 199.2 181.0 326 479 A E T 4 S+ 0 0 124 1,-0.2 2,-2.8 3,-0.1 -125,-0.0 -0.321 108.7 26.6 -64.5 165.5 38.7 199.7 177.3 327 480 A L T 4 S+ 0 0 88 -4,-0.1 2,-0.4 -2,-0.1 -1,-0.2 -0.200 131.2 36.1 70.4 -54.6 36.4 202.7 176.5 328 481 A I S < S- 0 0 7 -2,-2.8 -64,-0.1 -4,-1.0 5,-0.1 -0.957 81.8-129.5-138.9 122.3 37.1 204.3 180.0 329 482 A D >> - 0 0 101 -2,-0.4 4,-1.1 1,-0.1 3,-0.6 -0.342 21.7-122.5 -68.6 145.0 40.4 204.3 181.9 330 483 A R H >> S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 3,-1.0 0.905 111.0 55.9 -51.7 -51.4 40.3 203.2 185.6 331 484 A K H 3> S+ 0 0 159 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.850 102.1 57.7 -52.2 -37.8 41.8 206.5 186.9 332 485 A S H <> S+ 0 0 30 -3,-0.6 4,-1.8 1,-0.2 -1,-0.3 0.858 107.8 47.8 -61.9 -34.4 38.9 208.4 185.1 333 486 A K H <>S+ 0 0 15 -4,-2.3 5,-2.9 1,-0.2 3,-0.5 0.833 112.3 53.9 -63.0 -32.2 29.4 216.5 196.5 344 497 A R H 3<5S+ 0 0 61 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.838 111.2 43.5 -70.7 -35.5 27.4 213.8 198.3 345 498 A N T 3<5S+ 0 0 115 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.344 114.3 50.1 -94.4 5.1 29.0 214.5 201.7 346 499 A N T < 5S- 0 0 80 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.089 117.7 -97.6-131.2 21.7 28.8 218.3 201.5 347 500 A G T 5 - 0 0 30 -3,-0.5 -3,-0.2 1,-0.2 -4,-0.1 0.759 69.0 -74.8 69.1 26.5 25.2 218.9 200.5 348 501 A F > < + 0 0 23 -5,-2.9 3,-1.5 -6,-0.2 -1,-0.2 0.947 58.3 180.0 54.4 64.6 26.0 219.2 196.8 349 502 A P G > S+ 0 0 61 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.854 76.9 70.2 -61.3 -31.0 27.6 222.7 196.6 350 503 A I G 3 S+ 0 0 18 1,-0.3 -2,-0.1 2,-0.2 -3,-0.0 0.685 76.4 81.9 -61.6 -16.1 28.1 222.3 192.8 351 504 A F G < 0 0 3 -3,-1.5 -1,-0.3 -8,-0.1 -3,-0.1 0.572 360.0 360.0 -66.7 -6.1 24.3 222.6 192.5 352 505 A D < 0 0 166 -3,-2.2 -2,-0.2 -4,-0.1 -1,-0.1 0.463 360.0 360.0-125.4 360.0 24.9 226.3 192.7