==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-MAR-05 1Z57 . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE CLK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.DEBRECZENI,S.DAS,S.KNAPP,A.BULLOCK,K.GUO,A.AMOS,O.FEDOROV, . 333 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 16.5 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 15 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 2 0 1 1 0 1 0 0 1 1 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 3 1 0 2 1 0 2 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 . 3 0 1 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 -2 A S > 0 0 106 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 159.2 -8.6 23.4 13.9 2 -1 A M G >> + 0 0 27 1,-0.3 3,-2.2 2,-0.2 4,-0.6 0.843 360.0 70.4 -57.9 -37.0 -6.2 22.1 16.5 3 148 A H G 34 S+ 0 0 123 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.764 91.7 61.7 -47.2 -30.9 -4.8 25.6 17.1 4 149 A L G <4 S+ 0 0 122 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.675 113.5 30.7 -74.3 -14.7 -8.2 26.5 18.8 5 150 A I T <4 S+ 0 0 19 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.280 104.6 69.5-132.0 7.6 -7.9 23.9 21.6 6 151 A C < + 0 0 2 -4,-0.6 2,-0.2 -3,-0.4 -2,-0.1 0.093 68.0 124.5-118.9 23.2 -4.2 23.5 22.3 7 152 A Q S > S- 0 0 80 1,-0.1 3,-2.4 -4,-0.1 11,-0.3 -0.520 71.8 -85.2 -86.9 151.3 -3.3 26.9 24.0 8 153 A S T 3 S+ 0 0 83 1,-0.3 11,-0.2 -2,-0.2 -1,-0.1 -0.224 117.7 24.9 -50.7 133.9 -1.7 27.6 27.4 9 154 A G T 3 S+ 0 0 43 9,-2.7 -1,-0.3 1,-0.4 10,-0.1 0.184 88.0 131.3 90.5 -17.7 -4.4 27.6 30.1 10 155 A D < - 0 0 51 -3,-2.4 8,-2.9 7,-0.1 2,-0.5 -0.407 50.5-141.3 -59.6 143.1 -6.8 25.5 28.1 11 156 A V E -A 17 0A 77 6,-0.2 2,-0.4 -3,-0.1 3,-0.3 -0.961 12.9-158.8-116.6 126.1 -8.2 22.6 30.2 12 157 A L E >> S-A 16 0A 0 4,-3.0 4,-2.8 -2,-0.5 3,-2.2 -0.831 71.9 -2.8-105.4 140.1 -8.7 19.2 28.7 13 158 A S T 34 S- 0 0 57 -2,-0.4 -1,-0.2 1,-0.3 75,-0.0 0.814 117.7 -76.6 55.0 31.3 -11.0 16.4 30.0 14 159 A A T 34 S+ 0 0 93 -3,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.787 132.0 63.3 48.6 32.2 -11.8 18.8 32.9 15 160 A R T <4 S+ 0 0 56 -3,-2.2 21,-2.3 1,-0.2 2,-0.7 0.499 76.3 72.1-149.7 -39.3 -8.5 17.8 34.2 16 161 A Y E < -AB 12 35A 2 -4,-2.8 -4,-3.0 19,-0.2 2,-0.6 -0.802 55.9-158.8-105.9 114.7 -5.4 18.7 32.3 17 162 A E E -AB 11 34A 63 17,-2.6 17,-2.5 -2,-0.7 -6,-0.2 -0.815 20.4-127.5 -97.9 121.1 -4.2 22.3 32.2 18 163 A I E + B 0 33A 2 -8,-2.9 -9,-2.7 -2,-0.6 15,-0.2 -0.412 35.9 164.0 -68.5 126.1 -2.0 23.2 29.3 19 164 A V E - 0 0 49 13,-3.1 2,-0.3 1,-0.4 14,-0.2 0.662 61.9 -11.1-111.6 -20.6 1.3 24.9 30.3 20 165 A D E - B 0 32A 89 12,-1.2 12,-2.7 -13,-0.1 2,-0.4 -0.974 63.0-106.2-168.6 156.9 3.6 24.6 27.2 21 166 A T E - B 0 31A 63 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.858 25.9-174.4 -93.6 132.0 4.0 22.9 23.8 22 167 A L E - 0 0 68 8,-2.8 2,-0.3 -2,-0.4 9,-0.2 0.812 58.8 -34.0 -92.2 -40.0 6.6 20.1 23.7 23 168 A G E - B 0 30A 25 7,-1.6 7,-3.0 2,-0.0 -1,-0.3 -0.986 46.8-133.7-173.8 169.7 6.7 19.2 20.0 24 169 A E E + B 0 29A 85 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.980 24.2 164.8-138.7 146.2 4.8 18.8 16.8 25 170 A G E > - B 0 28A 32 3,-2.7 3,-1.5 -2,-0.3 -2,-0.0 -0.835 57.6 -77.0-146.3-174.3 4.7 16.0 14.2 26 171 A A T 3 S+ 0 0 60 1,-0.3 28,-0.1 -2,-0.3 23,-0.1 0.826 127.7 56.9 -58.4 -33.5 2.6 14.9 11.2 27 172 A F T 3 S- 0 0 40 1,-0.1 22,-3.1 21,-0.1 2,-0.3 0.601 121.9 -92.0 -68.5 -20.4 0.1 13.4 13.8 28 173 A G E < -BC 25 48A 6 -3,-1.5 -3,-2.7 20,-0.3 2,-0.3 -0.992 59.9 -47.6 137.2-136.8 -0.5 16.7 15.6 29 174 A K E -BC 24 47A 38 18,-2.0 18,-2.9 -2,-0.3 2,-0.5 -0.930 32.0-135.1-141.4 158.0 1.2 18.2 18.7 30 175 A V E -BC 23 46A 30 -7,-3.0 -8,-2.8 -2,-0.3 -7,-1.6 -0.987 25.5-169.8-118.3 128.1 2.3 17.2 22.2 31 176 A V E -BC 21 45A 0 14,-2.7 14,-3.0 -2,-0.5 2,-0.5 -0.887 22.3-124.7-114.7 149.1 1.6 19.6 25.0 32 177 A E E -BC 20 44A 35 -12,-2.7 -13,-3.1 -2,-0.3 -12,-1.2 -0.817 37.5-176.7 -89.9 131.6 2.8 19.6 28.7 33 178 A C E -BC 18 43A 0 10,-2.7 10,-2.5 -2,-0.5 2,-0.6 -0.940 30.6-127.0-128.5 150.6 -0.1 19.7 31.2 34 179 A I E -BC 17 42A 34 -17,-2.5 -17,-2.6 -2,-0.3 2,-1.1 -0.847 26.5-141.9 -87.1 124.2 -0.7 19.9 34.9 35 180 A D E > > -BC 16 41A 6 6,-2.8 5,-2.0 -2,-0.6 3,-1.7 -0.763 15.9-172.5 -90.5 98.0 -3.0 17.0 35.9 36 181 A H T 3 5S+ 0 0 109 -21,-2.3 3,-0.4 -2,-1.1 -1,-0.2 0.635 83.3 54.0 -65.6 -16.2 -5.3 18.5 38.6 37 182 A K T 3 5S+ 0 0 107 -22,-0.2 -1,-0.3 1,-0.2 -21,-0.1 0.252 105.7 53.5-103.5 9.0 -6.8 15.1 39.4 38 183 A A T X 5S- 0 0 46 -3,-1.7 3,-1.4 -23,-0.2 -1,-0.2 -0.280 127.8 -83.0-132.2 48.6 -3.4 13.4 40.1 39 184 A G T 3 5S- 0 0 85 -3,-0.4 -3,-0.2 1,-0.3 -2,-0.1 0.702 85.0 -58.8 66.8 20.4 -1.9 15.7 42.6 40 185 A G T 3 > S- 0 0 70 -2,-2.2 4,-2.8 -24,-0.1 3,-0.6 -0.998 70.7-121.4-139.6 128.8 -7.8 13.4 10.1 52 197 A D H 3> S+ 0 0 135 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.823 108.5 46.2 -40.1 -57.5 -8.7 9.8 9.2 53 198 A R H 3> S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 117.3 44.0 -61.8 -40.0 -5.2 8.3 8.8 54 199 A Y H <> S+ 0 0 77 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.863 111.9 52.8 -75.1 -35.9 -3.9 10.0 12.1 55 200 A C H X S+ 0 0 26 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.928 110.5 48.4 -60.8 -44.3 -7.0 9.0 14.0 56 201 A E H X S+ 0 0 139 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.927 111.1 49.8 -62.7 -46.0 -6.6 5.4 12.9 57 202 A A H X S+ 0 0 28 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.882 110.1 51.8 -60.7 -39.0 -2.9 5.4 13.9 58 203 A A H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.912 108.7 49.1 -67.7 -42.9 -3.8 6.9 17.3 59 204 A R H X S+ 0 0 101 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.922 113.8 47.2 -62.5 -40.2 -6.3 4.1 18.0 60 205 A S H X S+ 0 0 36 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.908 110.0 53.4 -65.3 -41.8 -3.7 1.5 17.0 61 206 A E H X S+ 0 0 4 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.912 106.4 52.6 -59.8 -44.2 -1.1 3.2 19.2 62 207 A I H X S+ 0 0 8 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.921 110.1 48.3 -57.0 -43.6 -3.4 3.0 22.2 63 208 A Q H X S+ 0 0 71 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.942 113.3 46.9 -65.3 -44.9 -3.9 -0.7 21.6 64 209 A V H X S+ 0 0 1 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.931 113.0 49.1 -61.7 -45.6 -0.1 -1.3 21.3 65 210 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.895 107.1 54.4 -64.7 -39.6 0.6 0.8 24.4 66 211 A E H X S+ 0 0 95 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.937 113.4 44.7 -56.1 -44.9 -2.0 -1.1 26.5 67 212 A H H X S+ 0 0 56 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.957 116.9 42.8 -62.5 -53.7 -0.3 -4.3 25.5 68 213 A L H X S+ 0 0 1 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.902 114.7 49.1 -65.9 -40.4 3.3 -3.2 26.1 69 214 A N H < S+ 0 0 30 -4,-2.9 -1,-0.2 -5,-0.2 6,-0.2 0.889 114.0 45.7 -73.5 -34.8 2.5 -1.4 29.3 70 215 A T H < S+ 0 0 106 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.834 113.6 50.0 -69.3 -33.3 0.6 -4.4 30.7 71 216 A T H < S+ 0 0 65 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.841 125.7 26.8 -72.2 -34.0 3.4 -6.8 29.6 72 217 A D >< + 0 0 14 -4,-2.0 3,-1.6 -5,-0.2 -1,-0.3 -0.685 69.8 165.3-130.0 71.3 6.1 -4.6 31.2 73 218 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.759 78.0 52.3 -67.0 -24.0 4.4 -2.7 34.1 74 219 A N T 3 S- 0 0 140 0, 0.0 -5,-0.1 0, 0.0 4,-0.0 0.465 107.3-125.7 -85.9 -3.0 7.8 -1.7 35.7 75 220 A S X + 0 0 16 -3,-1.6 3,-1.3 -6,-0.2 -6,-0.1 0.853 55.4 154.9 56.6 38.7 8.9 -0.2 32.2 76 221 A T T 3 S+ 0 0 90 1,-0.3 -1,-0.1 2,-0.1 54,-0.0 0.829 70.9 49.4 -60.1 -33.0 12.0 -2.3 32.5 77 222 A F T 3 S- 0 0 71 -5,-0.1 -1,-0.3 2,-0.1 56,-0.2 0.288 111.3-122.0 -95.9 8.1 12.3 -2.2 28.7 78 223 A R < + 0 0 59 -3,-1.3 97,-1.9 1,-0.2 2,-0.3 0.676 56.0 148.7 64.4 25.4 11.9 1.6 28.5 79 224 A C B -f 175 0B 3 95,-0.2 -1,-0.2 -7,-0.1 97,-0.2 -0.718 60.2 -93.5 -76.8 141.9 8.9 2.0 26.3 80 225 A V - 0 0 4 95,-2.4 2,-0.6 -2,-0.3 -1,-0.1 -0.197 38.7-120.5 -57.5 141.2 7.0 5.2 27.2 81 226 A Q - 0 0 57 -3,-0.1 16,-2.3 -6,-0.0 2,-0.4 -0.809 17.9-150.0 -89.1 123.1 4.1 4.7 29.7 82 227 A M E -E 96 0A 24 -2,-0.6 14,-0.3 14,-0.2 3,-0.1 -0.783 10.0-171.9 -87.5 136.5 0.6 5.7 28.6 83 228 A L E - 0 0 68 12,-3.0 2,-0.3 -2,-0.4 13,-0.2 0.826 57.6 -48.2 -98.3 -42.4 -1.6 6.9 31.4 84 229 A E E -E 95 0A 61 11,-1.1 11,-3.0 2,-0.0 -1,-0.4 -0.952 47.8-130.4-174.0 178.6 -5.0 7.2 29.7 85 230 A W E +E 94 0A 90 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.971 22.5 166.4-143.0 160.6 -6.7 8.6 26.6 86 231 A F E -E 93 0A 15 7,-2.4 7,-3.0 -2,-0.3 2,-0.4 -0.922 32.8-105.0-159.2 176.9 -9.8 10.7 25.9 87 232 A E E -E 92 0A 109 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.953 27.1-175.0-120.5 141.0 -11.5 12.8 23.2 88 233 A H E > S-E 91 0A 28 3,-2.4 3,-2.4 -2,-0.4 -83,-0.1 -0.964 71.8 -25.2-142.3 112.0 -11.6 16.5 23.1 89 234 A H T 3 S- 0 0 143 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.888 128.7 -48.4 46.3 41.9 -13.5 18.5 20.5 90 235 A G T 3 S+ 0 0 40 1,-0.2 2,-0.4 -40,-0.0 -1,-0.3 0.355 115.0 117.3 85.8 -5.6 -13.3 15.6 18.2 91 236 A H E < - E 0 88A 17 -3,-2.4 -3,-2.4 -41,-0.1 2,-0.3 -0.803 65.1-127.1 -98.9 135.2 -9.5 15.0 18.7 92 237 A I E - E 0 87A 3 -2,-0.4 -44,-2.6 -44,-0.3 2,-0.4 -0.633 28.8-165.5 -72.6 133.9 -8.1 11.9 20.2 93 238 A C E -DE 47 86A 0 -7,-3.0 -7,-2.4 -2,-0.3 2,-0.5 -0.991 5.7-162.6-125.8 129.1 -5.8 12.8 23.1 94 239 A I E -DE 46 85A 0 -48,-2.3 -48,-3.0 -2,-0.4 2,-0.4 -0.955 9.5-146.9-115.7 129.1 -3.3 10.4 24.6 95 240 A V E +DE 45 84A 0 -11,-3.0 -12,-3.0 -2,-0.5 -11,-1.1 -0.803 24.2 172.2-100.6 131.2 -1.8 11.1 28.1 96 241 A F E -DE 44 82A 16 -52,-3.3 -52,-2.5 -2,-0.4 -14,-0.2 -0.894 41.8 -84.4-126.7 160.6 1.8 9.9 28.8 97 242 A E E -D 43 0A 27 -16,-2.3 2,-0.5 -2,-0.3 -54,-0.2 -0.366 57.5-106.2 -50.9 143.5 4.5 10.2 31.4 98 243 A L - 0 0 54 -56,-0.6 2,-0.2 -3,-0.0 -1,-0.1 -0.697 44.3-179.9 -83.5 126.8 6.4 13.5 30.8 99 244 A L - 0 0 21 -2,-0.5 53,-0.2 1,-0.2 54,-0.1 -0.510 24.5-106.4-111.7 177.5 9.9 13.0 29.3 100 245 A G - 0 0 22 51,-3.0 -1,-0.2 1,-0.3 53,-0.1 0.036 63.1 -35.1 -87.1-158.9 12.7 15.4 28.3 101 246 A L - 0 0 44 49,-0.1 50,-2.8 1,-0.1 -1,-0.3 -0.282 62.8-110.1 -62.8 145.5 13.9 16.5 24.9 102 247 A S B > -G 150 0B 12 48,-0.3 4,-2.6 1,-0.1 48,-0.3 -0.359 31.2-112.0 -62.9 154.6 13.9 14.1 21.9 103 248 A T H > S+ 0 0 0 46,-3.3 4,-2.0 43,-0.9 44,-0.2 0.854 120.2 54.8 -59.8 -33.6 17.4 13.1 20.8 104 249 A Y H > S+ 0 0 78 42,-1.1 4,-2.6 45,-0.4 -1,-0.2 0.938 108.1 46.5 -61.0 -52.1 16.7 15.1 17.6 105 250 A D H > S+ 0 0 37 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.866 110.6 54.3 -63.8 -34.1 15.8 18.3 19.5 106 251 A F H X S+ 0 0 4 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.958 110.2 45.4 -62.1 -48.8 18.9 17.9 21.8 107 252 A I H <>S+ 0 0 9 -4,-2.0 5,-2.6 1,-0.2 6,-0.6 0.927 113.7 50.8 -60.0 -43.9 21.2 17.6 18.7 108 253 A K H ><5S+ 0 0 88 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.920 110.7 46.8 -59.7 -48.1 19.4 20.6 17.1 109 254 A E H 3<5S+ 0 0 87 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.655 106.8 61.0 -72.6 -16.3 19.8 22.8 20.3 110 255 A N T ><5S- 0 0 12 -4,-1.3 3,-1.3 -3,-0.4 -1,-0.3 -0.003 126.2 -99.9 -93.0 23.5 23.5 21.7 20.4 111 256 A G T < 5S- 0 0 36 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.2 0.794 70.9 -65.8 65.6 25.9 24.1 23.3 17.0 112 257 A F T 3 > - 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0 0 65 -2,-1.7 2,-0.8 -6,-0.1 3,-0.1 -0.979 46.5-150.3-137.5 125.6 21.9 6.1 -12.2 272 420 A D > - 0 0 93 -2,-0.4 3,-1.2 1,-0.2 6,-0.4 -0.837 7.2-166.2 -99.5 107.7 23.8 8.9 -14.0 273 421 A E T 3 S+ 0 0 57 -2,-0.8 9,-0.2 1,-0.2 -1,-0.2 0.694 86.5 54.6 -63.5 -22.4 26.9 9.7 -12.0 274 422 A H T 3 S+ 0 0 150 4,-0.2 -1,-0.2 5,-0.1 2,-0.0 0.439 85.6 95.1 -99.1 -4.5 27.3 13.0 -14.0 275 423 A S S <> S- 0 0 38 -3,-1.2 4,-2.9 1,-0.1 5,-0.2 -0.207 95.4 -94.0 -70.9 173.6 23.8 14.6 -13.5 276 424 A S H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.940 130.9 44.6 -56.2 -48.8 23.3 17.2 -10.7 277 425 A A H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.900 113.2 52.1 -63.1 -41.4 22.1 14.4 -8.3 278 426 A G H > S+ 0 0 0 -6,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.928 109.6 47.9 -60.3 -44.2 25.0 12.2 -9.4 279 427 A R H X S+ 0 0 148 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.904 111.9 51.0 -64.9 -39.5 27.5 14.9 -8.7 280 428 A Y H X S+ 0 0 96 -4,-2.1 4,-3.7 -5,-0.2 5,-0.3 0.939 110.3 47.6 -63.8 -50.3 26.0 15.5 -5.3 281 429 A V H X S+ 0 0 4 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.921 110.8 52.0 -57.4 -46.2 26.0 11.8 -4.3 282 430 A S H < S+ 0 0 44 -4,-2.4 -1,-0.2 -9,-0.2 -2,-0.2 0.892 117.6 39.7 -58.3 -37.2 29.7 11.5 -5.4 283 431 A R H < S+ 0 0 87 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.912 121.0 41.5 -76.9 -45.0 30.6 14.5 -3.3 284 432 A A H < S+ 0 0 37 -4,-3.7 2,-0.3 -5,-0.2 -2,-0.2 0.705 109.2 60.3 -80.7 -22.5 28.4 13.8 -0.3 285 433 A C < + 0 0 2 -4,-2.2 -54,-0.1 -5,-0.3 -42,-0.1 -0.761 49.4 153.1-118.5 150.1 28.9 10.0 0.0 286 434 A K - 0 0 75 -2,-0.3 5,-0.1 -56,-0.1 -41,-0.0 -0.955 56.9 -52.9-161.2 164.6 31.9 7.8 0.6 287 435 A P > - 0 0 60 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.180 57.1-114.5 -50.1 139.8 32.6 4.3 2.2 288 436 A L G > S+ 0 0 11 -42,-2.7 3,-2.3 1,-0.3 4,-0.2 0.839 111.0 54.9 -46.2 -51.3 31.1 4.0 5.7 289 437 A K G > S+ 0 0 76 1,-0.3 3,-1.3 -43,-0.2 -1,-0.3 0.699 93.7 70.4 -64.2 -17.5 34.4 3.6 7.6 290 438 A E G < S+ 0 0 114 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.586 87.6 67.1 -71.9 -9.8 35.8 6.9 6.1 291 439 A F G < S+ 0 0 19 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.542 74.5 120.8 -84.8 -8.4 33.2 8.7 8.3 292 440 A M < - 0 0 19 -3,-1.3 3,-0.1 -4,-0.2 8,-0.0 -0.303 53.2-156.6 -59.1 139.2 35.1 7.6 11.4 293 441 A L S S+ 0 0 116 1,-0.2 2,-0.3 -68,-0.0 -1,-0.1 0.525 77.3 9.2 -92.5 -11.2 36.3 10.5 13.6 294 442 A S - 0 0 44 2,-0.1 -1,-0.2 3,-0.0 0, 0.0 -0.959 59.7-135.9-163.4 151.8 39.1 8.4 15.2 295 443 A Q + 0 0 129 -2,-0.3 5,-0.1 -3,-0.1 -3,-0.0 0.276 59.1 133.5 -99.2 8.7 40.7 5.0 14.7 296 444 A D S >> S- 0 0 87 1,-0.1 4,-1.7 3,-0.1 3,-1.2 -0.286 71.6-110.8 -52.2 147.2 40.7 4.2 18.5 297 445 A V H 3> S+ 0 0 76 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.760 115.9 60.6 -59.9 -30.3 39.4 0.7 19.1 298 446 A E H 3> S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.870 107.0 47.5 -66.3 -31.2 36.1 1.9 20.7 299 447 A H H <> S+ 0 0 34 -3,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.879 110.0 52.6 -71.8 -39.2 35.3 3.7 17.4 300 448 A E H X S+ 0 0 80 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.895 107.7 51.8 -59.4 -42.1 36.2 0.6 15.6 301 449 A R H X S+ 0 0 90 -4,-2.3 4,-1.9 2,-0.2 27,-0.3 0.947 110.8 47.8 -61.7 -47.0 33.8 -1.4 17.8 302 450 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.938 112.7 48.3 -58.9 -48.7 30.9 1.1 17.1 303 451 A F H X S+ 0 0 6 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.813 106.6 56.2 -67.6 -25.6 31.5 1.0 13.4 304 452 A D H X S+ 0 0 72 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.913 110.8 45.7 -66.9 -41.9 31.7 -2.9 13.3 305 453 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.946 112.4 50.3 -66.7 -46.6 28.2 -2.9 14.9 306 454 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.933 108.5 52.2 -57.0 -45.1 26.9 -0.2 12.5 307 455 A Q H < S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.898 110.1 48.8 -60.9 -38.7 28.1 -2.1 9.5 308 456 A K H >< S+ 0 0 92 -4,-1.8 10,-1.1 1,-0.2 3,-1.1 0.846 110.3 51.1 -68.8 -35.1 26.3 -5.3 10.7 309 457 A M H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.793 109.0 52.9 -70.3 -28.0 23.1 -3.3 11.3 310 458 A L T 3< S+ 0 0 4 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.2 -0.001 75.0 139.1 -98.9 25.6 23.4 -2.0 7.7 311 459 A E < - 0 0 65 -3,-1.1 6,-0.1 1,-0.1 -3,-0.1 -0.556 52.6-139.1 -62.8 130.0 23.7 -5.4 6.1 312 460 A Y S S+ 0 0 14 -2,-0.3 -111,-0.2 -65,-0.1 -1,-0.1 0.903 84.6 73.9 -61.5 -45.5 21.6 -5.3 3.0 313 461 A D S > S- 0 0 31 1,-0.1 4,-2.1 -113,-0.1 -2,-0.1 -0.617 72.5-152.4 -74.3 115.0 20.1 -8.8 3.3 314 462 A P T 4 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -100,-0.1 0.735 93.5 53.0 -66.6 -20.0 17.5 -8.6 6.1 315 463 A A T 4 S+ 0 0 89 1,-0.1 -2,-0.0 4,-0.0 4,-0.0 0.899 113.4 42.0 -74.3 -45.1 17.9 -12.3 6.9 316 464 A K T 4 S+ 0 0 103 2,-0.1 -1,-0.1 -3,-0.1 3,-0.1 0.785 92.5 111.0 -68.0 -29.1 21.7 -12.0 7.3 317 465 A R S < S- 0 0 5 -4,-2.1 -8,-0.2 -6,-0.1 -9,-0.1 -0.175 82.0 -98.7 -53.6 139.0 21.3 -8.7 9.2 318 466 A I - 0 0 19 -10,-1.1 2,-0.2 -13,-0.1 -1,-0.1 -0.238 36.9-131.9 -54.6 139.4 22.2 -8.8 12.9 319 467 A T > - 0 0 65 -3,-0.1 4,-2.7 1,-0.1 5,-0.1 -0.546 20.4-113.0 -86.5 163.9 19.3 -9.2 15.2 320 468 A L H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.890 118.4 58.0 -65.3 -31.8 18.9 -7.0 18.3 321 469 A R H 4 S+ 0 0 168 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.930 112.3 42.2 -61.0 -43.4 19.4 -10.0 20.6 322 470 A E H >4 S+ 0 0 111 1,-0.2 3,-1.4 2,-0.2 4,-0.2 0.895 109.8 57.5 -68.2 -42.9 22.8 -10.5 18.8 323 471 A A H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 6,-0.2 0.888 98.1 60.4 -55.0 -39.3 23.5 -6.7 18.9 324 472 A L T 3< S+ 0 0 20 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.709 104.4 51.0 -64.1 -21.6 23.2 -6.6 22.6 325 473 A K T < S+ 0 0 109 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.338 84.9 123.0 -94.2 5.0 26.1 -9.2 22.8 326 474 A H S X S- 0 0 12 -3,-1.9 3,-2.1 -4,-0.2 4,-0.3 -0.312 74.3-115.4 -72.6 147.1 28.4 -7.1 20.6 327 475 A P G >> S+ 0 0 60 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.785 109.1 73.5 -48.6 -31.6 31.9 -6.0 21.8 328 476 A F G 34 S+ 0 0 0 -27,-0.3 3,-0.3 1,-0.3 4,-0.1 0.805 100.6 45.7 -52.3 -32.5 30.9 -2.3 21.6 329 477 A F G X> S+ 0 0 0 -3,-2.1 3,-1.3 -6,-0.2 4,-0.5 0.476 82.6 95.1 -91.6 -3.8 28.8 -3.0 24.7 330 478 A D G X4 S+ 0 0 83 -3,-1.8 3,-1.5 -4,-0.3 -1,-0.2 0.875 78.5 62.9 -59.4 -33.8 31.4 -5.0 26.7 331 479 A L G >< S+ 0 0 77 -4,-0.5 3,-0.9 -3,-0.3 -1,-0.3 0.817 100.3 52.8 -56.5 -34.1 32.4 -1.7 28.4 332 480 A L G <4 S+ 0 0 56 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.595 103.9 57.9 -74.6 -14.5 28.9 -1.5 30.0 333 481 A K G << 0 0 104 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.218 360.0 360.0-105.3 11.4 29.2 -5.0 31.4 334 482 A K < 0 0 224 -3,-0.9 -1,-0.1 -4,-0.1 -3,-0.1 -0.612 360.0 360.0 -87.0 360.0 32.3 -4.3 33.4