==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-MAY-10 3MYG . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE 6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.HRUZA,W.PROSIS,L.RAMANATHAN . 252 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 13 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 2 1 0 1 1 1 0 0 1 0 0 1 0 0 0 1 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 . 2 0 1 0 1 2 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 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 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 1 126 A R 0 0 236 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.3 0.5 18.8 59.2 2 127 A Q - 0 0 187 73,-0.0 72,-0.1 2,-0.0 0, 0.0 0.942 360.0-167.5 -67.9 -51.2 1.0 15.7 61.3 3 128 A W - 0 0 59 72,-0.1 73,-0.3 1,-0.1 2,-0.3 0.834 9.2-167.0 58.5 124.7 2.4 17.4 64.4 4 129 A A > - 0 0 35 71,-0.1 3,-1.5 1,-0.0 4,-0.2 -0.842 37.2-106.3-128.6 164.9 4.1 15.6 67.3 5 130 A L G > S+ 0 0 62 -2,-0.3 3,-2.1 1,-0.3 -1,-0.0 0.848 114.6 68.9 -60.1 -35.5 5.2 16.7 70.9 6 131 A E G 3 S+ 0 0 150 1,-0.3 -1,-0.3 3,-0.0 22,-0.0 0.579 89.4 64.6 -58.1 -18.2 8.9 16.8 69.8 7 132 A D G < S+ 0 0 37 -3,-1.5 21,-3.5 21,-0.1 2,-0.3 0.560 100.1 63.5 -82.3 -14.3 8.0 19.9 67.6 8 133 A F E < -A 27 0A 10 -3,-2.1 2,-0.5 19,-0.3 19,-0.2 -0.914 67.4-145.2-119.1 146.0 7.2 22.0 70.7 9 134 A E E -A 26 0A 93 17,-2.9 17,-1.7 -2,-0.3 2,-0.3 -0.934 27.6-142.8-103.6 117.2 9.1 23.3 73.8 10 135 A I E +A 25 0A 75 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.715 22.8 178.7 -84.5 135.7 6.6 23.3 76.8 11 136 A G E - 0 0 42 13,-3.1 -1,-0.1 -2,-0.3 14,-0.1 0.080 44.7 -22.2-109.9-140.7 6.9 26.2 79.3 12 137 A R E - 0 0 157 1,-0.1 12,-1.8 11,-0.1 -1,-0.3 -0.467 68.5-101.9 -79.0 150.2 4.9 27.0 82.4 13 138 A P E -A 23 0A 50 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.515 31.4-169.9 -67.8 125.6 1.3 25.7 83.1 14 139 A L E S+ 0 0 56 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.821 71.0 0.9 -84.9 -35.5 -1.1 28.5 82.3 15 140 A G E -A 22 0A 36 7,-1.4 7,-2.3 2,-0.0 -1,-0.4 -0.981 65.2-155.7-154.0 146.4 -4.1 26.8 83.8 16 141 A K E +A 21 0A 157 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.927 30.7 117.7-125.8 150.1 -4.8 23.4 85.6 17 142 A G - 0 0 52 3,-0.8 3,-0.4 -2,-0.3 2,-0.1 -0.964 61.6 -37.4 179.5-169.8 -8.0 21.3 86.0 18 143 A K S S+ 0 0 191 -2,-0.3 2,-0.4 1,-0.2 0, 0.0 -0.427 119.9 27.7 -71.5 150.7 -9.8 18.0 85.2 19 144 A F S S- 0 0 51 -2,-0.1 21,-3.4 20,-0.0 2,-0.3 -0.254 128.1 -62.6 85.3 -36.4 -9.0 16.4 81.8 20 145 A G E - B 0 39A 14 -2,-0.4 -3,-0.8 -3,-0.4 2,-0.3 -0.989 59.3 -69.7 160.7-159.7 -5.6 18.1 81.7 21 146 A N E -AB 16 38A 26 17,-1.4 17,-3.3 -2,-0.3 2,-0.5 -0.876 25.4-127.7-128.3 159.8 -3.7 21.4 81.7 22 147 A V E -AB 15 37A 42 -7,-2.3 -8,-3.2 -2,-0.3 -7,-1.4 -0.940 32.9-171.8-106.4 127.6 -3.0 24.4 79.3 23 148 A Y E -AB 13 36A 46 13,-2.6 13,-3.3 -2,-0.5 2,-0.4 -0.856 28.7-115.4-118.0 157.1 0.7 25.2 78.8 24 149 A L E + B 0 35A 39 -12,-1.8 -13,-3.1 -2,-0.3 2,-0.3 -0.736 48.1 177.9 -83.8 133.4 2.6 28.0 77.1 25 150 A A E -AB 10 34A 2 9,-2.9 9,-2.4 -2,-0.4 2,-0.4 -0.920 26.5-147.9-139.6 165.0 4.5 26.4 74.3 26 151 A R E -AB 9 33A 89 -17,-1.7 -17,-2.9 -2,-0.3 2,-0.4 -0.987 21.5-128.0-136.3 124.8 6.8 27.3 71.4 27 152 A E E > -A 8 0A 15 5,-2.4 4,-2.4 -2,-0.4 5,-0.3 -0.615 23.7-137.8 -72.0 125.2 7.0 25.5 68.0 28 153 A K T 4 S+ 0 0 94 -21,-3.5 -1,-0.1 -2,-0.4 -20,-0.1 0.838 93.1 40.4 -55.2 -48.0 10.7 24.7 67.5 29 154 A Q T 4 S+ 0 0 152 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.892 128.4 28.6 -72.2 -47.4 11.2 25.6 63.7 30 155 A S T 4 S- 0 0 71 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.648 92.7-133.3 -87.9 -22.8 9.1 28.8 63.6 31 156 A K < + 0 0 147 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.576 46.8 166.8 71.5 14.8 9.6 29.9 67.3 32 157 A F - 0 0 94 -5,-0.3 -5,-2.4 -6,-0.1 2,-0.4 -0.461 30.4-140.8 -65.1 117.9 5.8 30.5 67.2 33 158 A I E +B 26 0A 73 -2,-0.3 54,-0.4 -7,-0.2 2,-0.2 -0.724 37.1 150.6 -84.6 132.0 4.5 31.0 70.8 34 159 A L E -B 25 0A 4 -9,-2.4 -9,-2.9 -2,-0.4 2,-0.5 -0.846 47.7 -96.1-148.0 177.3 1.1 29.3 71.4 35 160 A A E -BC 24 85A 8 50,-2.7 50,-3.2 -2,-0.2 2,-0.7 -0.941 31.5-155.9-108.4 124.5 -1.1 27.7 74.2 36 161 A L E -BC 23 84A 0 -13,-3.3 -13,-2.6 -2,-0.5 2,-0.8 -0.907 0.3-158.6-108.2 105.6 -0.9 23.9 74.3 37 162 A K E -BC 22 83A 21 46,-2.7 46,-2.8 -2,-0.7 2,-0.8 -0.790 9.7-162.0 -86.4 109.0 -4.0 22.3 75.9 38 163 A V E -BC 21 82A 4 -17,-3.3 -17,-1.4 -2,-0.8 2,-0.4 -0.869 10.9-176.3 -98.0 103.6 -2.8 18.8 77.0 39 164 A L E -BC 20 81A 20 42,-3.4 42,-4.0 -2,-0.8 2,-0.4 -0.865 22.1-128.8-105.4 134.2 -5.8 16.5 77.6 40 165 A F E > - C 0 80A 58 -21,-3.4 4,-1.7 -2,-0.4 3,-0.4 -0.708 3.9-146.6 -84.5 125.8 -5.5 12.9 79.0 41 166 A K H > S+ 0 0 37 38,-2.7 4,-2.1 -2,-0.4 5,-0.2 0.812 97.1 64.3 -56.9 -34.9 -7.3 10.1 77.0 42 167 A A H > S+ 0 0 39 37,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.909 108.6 36.8 -56.4 -49.4 -7.9 8.3 80.3 43 168 A Q H 4 S+ 0 0 93 -3,-0.4 -1,-0.2 -24,-0.2 -2,-0.2 0.781 113.8 57.1 -76.8 -30.9 -10.2 11.1 81.7 44 169 A L H >X>S+ 0 0 10 -4,-1.7 5,-1.9 -25,-0.2 4,-1.0 0.901 113.5 39.3 -65.2 -43.5 -11.8 11.9 78.3 45 170 A E H 3<5S+ 0 0 123 -4,-2.1 -2,-0.2 1,-0.2 3,-0.2 0.859 110.0 59.7 -73.2 -40.6 -13.0 8.2 77.8 46 171 A K T 3<5S+ 0 0 186 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 0.055 118.5 30.6 -80.7 26.5 -14.0 7.8 81.5 47 172 A A T <45S- 0 0 64 -3,-0.7 -1,-0.2 -5,-0.0 -2,-0.2 0.349 106.6-115.9-153.7 -19.9 -16.5 10.7 81.1 48 173 A G T <5 + 0 0 45 -4,-1.0 -3,-0.2 -3,-0.2 4,-0.1 0.980 66.0 138.4 70.9 60.6 -17.7 10.6 77.4 49 174 A V >< + 0 0 14 -5,-1.9 4,-1.9 2,-0.1 3,-0.4 0.420 33.2 107.2-112.1 -5.6 -16.2 13.9 76.3 50 175 A E H > S+ 0 0 106 -6,-0.5 4,-1.4 1,-0.2 -1,-0.1 0.749 82.5 47.7 -43.5 -39.2 -14.9 12.6 72.9 51 176 A H H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 109.1 52.2 -70.8 -47.6 -17.7 14.5 71.0 52 177 A Q H > S+ 0 0 44 -3,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.808 108.4 53.2 -58.2 -35.0 -17.2 17.8 72.9 53 178 A L H X S+ 0 0 27 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.917 109.8 46.5 -66.5 -46.8 -13.4 17.6 71.9 54 179 A R H X S+ 0 0 173 -4,-1.4 4,-3.5 2,-0.2 -2,-0.2 0.882 111.9 52.6 -62.1 -40.9 -14.4 17.2 68.2 55 180 A R H X S+ 0 0 43 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.864 109.8 47.1 -63.9 -39.5 -16.8 20.1 68.6 56 181 A E H X S+ 0 0 11 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.879 116.0 46.6 -67.5 -41.1 -14.1 22.4 70.1 57 182 A V H X S+ 0 0 25 -4,-2.1 4,-1.7 2,-0.2 5,-0.3 0.968 117.4 41.5 -64.1 -55.3 -11.8 21.3 67.2 58 183 A E H X S+ 0 0 77 -4,-3.5 4,-1.5 2,-0.2 -2,-0.2 0.914 120.1 42.1 -61.4 -48.3 -14.4 21.8 64.4 59 184 A I H X S+ 0 0 8 -4,-2.6 4,-2.6 1,-0.2 -3,-0.2 0.947 117.5 44.0 -66.5 -52.2 -15.8 25.1 65.7 60 185 A Q H < S+ 0 0 0 -4,-1.9 11,-1.4 -5,-0.3 -1,-0.2 0.716 113.6 49.1 -70.9 -22.7 -12.5 26.8 66.7 61 186 A S H < S+ 0 0 30 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.864 119.2 39.7 -80.6 -34.9 -10.6 25.9 63.6 62 187 A H H < S+ 0 0 118 -4,-1.5 2,-0.3 -5,-0.3 -2,-0.2 0.779 98.7 83.7 -85.7 -27.5 -13.4 27.1 61.3 63 188 A L < - 0 0 8 -4,-2.6 2,-0.4 -5,-0.1 8,-0.3 -0.605 56.7-173.9 -78.4 133.0 -14.5 30.2 63.3 64 189 A R + 0 0 147 -2,-0.3 5,-0.1 6,-0.1 -3,-0.0 -0.938 26.1 128.4-133.5 105.8 -12.3 33.3 62.4 65 190 A H > - 0 0 45 -2,-0.4 3,-1.3 3,-0.4 53,-0.0 -0.964 60.4-123.4-155.2 145.0 -13.0 36.4 64.5 66 191 A P T 3 S+ 0 0 87 0, 0.0 4,-0.1 0, 0.0 78,-0.0 0.706 113.5 51.1 -65.8 -21.9 -10.7 38.8 66.5 67 192 A N T 3 S+ 0 0 16 47,-0.1 80,-2.1 79,-0.1 2,-0.4 0.038 99.1 77.9-102.7 21.5 -12.8 38.2 69.7 68 193 A I B < S-e 147 0B 4 -3,-1.3 -3,-0.4 78,-0.3 2,-0.2 -1.000 85.9-117.9-132.2 128.0 -12.6 34.4 69.4 69 194 A L - 0 0 9 78,-2.7 2,-0.1 -2,-0.4 -6,-0.1 -0.510 35.3-125.7 -66.5 127.4 -9.5 32.4 70.4 70 195 A R - 0 0 72 -2,-0.2 16,-2.9 -4,-0.1 2,-0.5 -0.446 12.0-152.0 -78.1 147.8 -8.1 30.5 67.4 71 196 A L E -D 85 0A 2 -11,-1.4 14,-0.2 -8,-0.3 3,-0.1 -0.991 12.8-179.0-117.6 116.1 -7.4 26.8 67.2 72 197 A Y E - 0 0 87 12,-2.5 2,-0.3 -2,-0.5 13,-0.2 0.809 56.1 -47.2 -87.2 -34.2 -4.5 26.0 64.8 73 198 A G E -D 84 0A 13 11,-1.3 11,-2.2 2,-0.0 2,-0.3 -0.951 47.2-129.3-175.4-169.3 -4.4 22.2 65.0 74 199 A Y E +D 83 0A 138 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.976 15.0 176.2-159.0 160.4 -4.4 19.1 67.1 75 200 A F E -D 82 0A 11 7,-2.0 7,-3.4 -2,-0.3 2,-0.3 -0.931 8.5-160.0-160.1 170.0 -2.5 15.8 67.7 76 201 A H E -D 81 0A 121 -2,-0.3 5,-0.2 -73,-0.3 2,-0.1 -0.972 4.1-170.3-154.3 160.4 -2.5 12.8 70.0 77 202 A D - 0 0 68 3,-2.5 -73,-0.0 -2,-0.3 5,-0.0 -0.248 55.8 -63.6-127.8-143.3 -0.3 10.0 71.3 78 203 A A S S+ 0 0 100 -2,-0.1 3,-0.0 1,-0.1 0, 0.0 0.882 131.0 17.7 -79.6 -38.4 -0.8 6.8 73.4 79 204 A T S S+ 0 0 69 -38,-0.1 -38,-2.7 1,-0.1 -37,-0.5 0.776 119.9 44.4-101.8 -38.3 -1.8 8.8 76.6 80 205 A R E -C 40 0A 76 -40,-0.3 -3,-2.5 -39,-0.1 2,-0.4 -0.781 53.4-143.3-122.3 162.6 -2.8 12.4 75.6 81 206 A V E -CD 39 76A 16 -42,-4.0 -42,-3.4 -2,-0.3 2,-0.5 -0.983 25.3-155.7-117.8 124.1 -4.7 14.6 73.2 82 207 A Y E -CD 38 75A 2 -7,-3.4 -7,-2.0 -2,-0.4 2,-0.5 -0.923 6.6-163.6-110.8 121.6 -3.0 18.0 72.3 83 208 A L E -CD 37 74A 0 -46,-2.8 -46,-2.7 -2,-0.5 2,-0.8 -0.903 11.5-148.5-103.9 126.0 -4.8 21.1 71.2 84 209 A I E +CD 36 73A 2 -11,-2.2 -12,-2.5 -2,-0.5 -11,-1.3 -0.855 32.2 173.8 -95.7 104.1 -2.6 23.8 69.5 85 210 A L E -CD 35 71A 6 -50,-3.2 -50,-2.7 -2,-0.8 -14,-0.2 -0.756 39.3 -91.9-117.5 161.9 -4.3 27.1 70.4 86 211 A E - 0 0 34 -16,-2.9 2,-0.5 -2,-0.3 -52,-0.2 -0.456 45.7-126.0 -65.0 136.4 -3.8 30.8 70.1 87 212 A Y - 0 0 68 -54,-0.4 -1,-0.1 -2,-0.1 -17,-0.1 -0.802 12.6-152.1 -91.9 129.0 -2.0 32.2 73.2 88 213 A A > - 0 0 9 -2,-0.5 3,-1.2 1,-0.1 51,-0.2 -0.923 7.3-164.3-101.8 104.4 -3.7 35.0 75.0 89 214 A P T 3 S+ 0 0 54 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.712 82.6 55.9 -64.0 -29.9 -0.9 37.0 76.8 90 215 A L T 3 S- 0 0 100 49,-2.0 50,-0.2 1,-0.2 6,-0.1 0.278 100.4-142.1 -91.7 13.9 -3.1 39.1 79.2 91 216 A G < - 0 0 28 -3,-1.2 48,-2.2 48,-0.4 -1,-0.2 -0.114 40.0 -18.8 64.9-160.5 -4.7 35.9 80.7 92 217 A T B > -F 138 0B 37 46,-0.2 4,-1.8 1,-0.1 46,-0.2 -0.533 42.1-133.5 -84.2 151.0 -8.3 35.4 81.9 93 218 A V H > S+ 0 0 0 44,-2.5 4,-2.1 41,-0.8 42,-0.2 0.789 110.9 65.8 -65.6 -27.4 -11.0 38.0 82.7 94 219 A Y H > S+ 0 0 83 40,-1.2 4,-1.7 43,-0.4 -1,-0.2 0.938 103.9 42.2 -56.7 -53.8 -11.5 35.6 85.8 95 220 A R H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.886 112.4 54.0 -62.1 -43.1 -7.9 36.6 87.1 96 221 A E H X S+ 0 0 44 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.839 107.6 51.7 -60.5 -37.0 -8.4 40.3 86.2 97 222 A L H X S+ 0 0 11 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.900 108.2 50.5 -66.7 -44.0 -11.7 40.3 88.3 98 223 A Q H < S+ 0 0 102 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.915 115.8 42.7 -60.9 -44.6 -9.9 38.8 91.3 99 224 A K H < S+ 0 0 163 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.938 122.8 36.3 -66.1 -52.9 -7.1 41.4 91.1 100 225 A L H < S- 0 0 85 -4,-2.7 2,-2.1 -5,-0.1 -2,-0.2 0.504 90.9-144.9 -81.0 -9.2 -9.5 44.4 90.4 101 226 A S S < S- 0 0 88 -4,-1.7 2,-0.3 -5,-0.1 -1,-0.1 -0.305 77.0 -4.8 72.3 -49.0 -12.4 43.2 92.7 102 227 A K S S- 0 0 101 -2,-2.1 2,-0.3 -6,-0.1 86,-0.2 -0.929 78.8-113.5-162.7 162.6 -14.9 44.7 90.2 103 228 A F - 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0 0 60 -2,-0.3 3,-1.6 -42,-0.0 4,-0.2 -0.474 60.8 -42.2-138.5-152.5 -31.1 27.9 71.8 173 308 A E T >> S+ 0 0 26 1,-0.3 3,-1.4 2,-0.2 4,-0.6 0.702 117.7 77.8 -56.3 -27.8 -28.9 31.0 71.2 174 309 A K H 3> S+ 0 0 39 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.559 76.9 74.0 -64.0 -10.5 -30.8 32.8 74.0 175 310 A V H <> S+ 0 0 0 -3,-1.6 4,-1.8 2,-0.2 -1,-0.3 0.866 95.9 48.9 -65.5 -41.6 -28.6 30.8 76.5 176 311 A D H <> S+ 0 0 0 -3,-1.4 4,-1.7 -4,-0.2 -2,-0.2 0.729 106.2 57.6 -73.5 -24.2 -25.6 33.1 75.6 177 312 A L H X S+ 0 0 4 -4,-0.6 4,-1.4 2,-0.2 -2,-0.2 0.876 107.5 46.9 -73.3 -38.7 -27.8 36.2 76.1 178 313 A W H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.923 111.1 51.5 -64.0 -50.3 -28.5 35.1 79.7 179 314 A S H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.866 106.4 54.2 -55.8 -40.5 -24.8 34.4 80.4 180 315 A L H X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 -1,-0.2 0.859 108.1 50.4 -61.2 -40.4 -24.0 37.9 79.1 181 316 A G H X S+ 0 0 0 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.850 111.6 47.4 -67.3 -37.8 -26.4 39.3 81.7 182 317 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.930 114.3 47.3 -68.7 -45.8 -24.7 37.3 84.4 183 318 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.895 108.8 54.1 -62.4 -44.4 -21.3 38.4 83.2 184 319 A C H X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.869 112.1 44.3 -58.1 -41.5 -22.4 42.1 83.0 185 320 A Y H X S+ 0 0 14 -4,-1.4 4,-2.8 2,-0.2 5,-0.4 0.923 114.4 49.0 -69.1 -48.0 -23.6 41.9 86.7 186 321 A E H X S+ 0 0 18 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.877 108.2 54.0 -60.3 -40.2 -20.4 40.1 87.8 187 322 A F H < S+ 0 0 0 -4,-3.0 -84,-3.5 1,-0.2 -1,-0.2 0.938 118.8 35.4 -59.5 -43.5 -18.1 42.6 86.0 188 323 A L H < S+ 0 0 12 -4,-1.5 -2,-0.2 -86,-0.2 -1,-0.2 0.767 129.7 31.3 -79.8 -35.0 -19.8 45.5 87.9 189 324 A V H < S- 0 0 17 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.804 96.1-126.7 -96.3 -37.2 -20.5 43.8 91.3 190 325 A G S < S+ 0 0 28 -4,-2.4 -4,-0.2 -5,-0.4 -3,-0.1 0.335 86.3 67.9 103.2 -5.6 -17.5 41.4 91.5 191 326 A K S S- 0 0 112 -6,-0.3 -1,-0.2 4,-0.0 -2,-0.2 -0.981 91.8-101.5-142.1 145.1 -19.8 38.4 92.2 192 327 A P > - 0 0 5 0, 0.0 3,-1.4 0, 0.0 -9,-0.1 -0.384 36.6-115.1 -67.4 149.8 -22.3 36.6 89.8 193 328 A P T 3 S+ 0 0 5 0, 0.0 19,-0.3 0, 0.0 -11,-0.0 0.658 109.8 42.0 -59.7 -25.1 -26.0 37.5 90.5 194 329 A F T 3 S+ 0 0 0 -35,-0.3 11,-0.2 17,-0.1 12,-0.2 0.161 78.9 145.8-111.3 15.4 -27.2 34.0 91.7 195 330 A E < + 0 0 103 -3,-1.4 2,-0.3 10,-0.1 -4,-0.0 -0.201 15.0 159.0 -57.3 142.7 -24.2 33.1 93.9 196 331 A A - 0 0 26 9,-0.0 6,-0.1 2,-0.0 -2,-0.1 -0.922 52.2-108.2-159.5 158.4 -25.1 30.9 97.0 197 332 A N S S+ 0 0 167 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 0.661 100.5 46.4 -74.5 -13.7 -23.0 28.6 99.2 198 333 A T S > S- 0 0 55 1,-0.1 4,-2.6 -3,-0.0 5,-0.1 -0.919 76.1-128.6-129.5 157.0 -24.8 25.5 97.8 199 334 A Y H > S+ 0 0 142 -2,-0.3 4,-2.7 2,-0.2 5,-0.1 0.850 113.0 53.4 -62.1 -42.1 -25.7 24.1 94.3 200 335 A Q H > S+ 0 0 143 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.885 111.1 44.9 -64.4 -42.3 -29.3 23.6 95.6 201 336 A E H > S+ 0 0 94 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.943 114.2 48.7 -64.5 -53.3 -29.6 27.2 96.7 202 337 A T H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.899 110.6 52.4 -54.2 -45.3 -28.0 28.5 93.4 203 338 A Y H X S+ 0 0 79 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.893 109.6 49.3 -55.2 -47.9 -30.4 26.3 91.4 204 339 A K H X S+ 0 0 110 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.934 111.8 48.0 -57.0 -52.0 -33.3 27.9 93.4 205 340 A R H <>S+ 0 0 80 -4,-2.4 5,-2.9 -11,-0.2 4,-0.4 0.867 114.2 46.2 -61.8 -39.6 -32.1 31.4 92.7 206 341 A I H ><5S+ 0 0 0 -4,-2.6 3,-1.4 3,-0.2 -2,-0.2 0.952 111.0 49.8 -67.9 -55.6 -31.6 30.8 88.9 207 342 A S H 3<5S+ 0 0 21 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.764 120.2 38.0 -56.2 -29.2 -34.9 29.1 88.3 208 343 A R T 3<5S- 0 0 152 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.409 107.3-127.2-101.0 -1.0 -36.7 31.9 90.1 209 344 A V T < 5 + 0 0 31 -3,-1.4 2,-0.9 -4,-0.4 -3,-0.2 0.952 43.1 175.5 50.5 56.5 -34.4 34.7 88.6 210 345 A E < + 0 0 83 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.815 15.6 130.8 -99.7 97.5 -33.7 36.0 92.1 211 346 A F - 0 0 38 -2,-0.9 2,-0.3 -17,-0.0 -17,-0.1 -0.988 32.2-162.8-144.4 152.7 -31.1 38.8 92.1 212 347 A T - 0 0 108 -2,-0.3 -2,-0.0 -19,-0.3 0, 0.0 -0.942 20.7-121.5-134.1 152.7 -30.8 42.3 93.6 213 348 A F - 0 0 36 -2,-0.3 2,-0.0 4,-0.1 -2,-0.0 -0.798 19.0-125.9 -99.0 136.5 -28.5 45.2 92.7 214 349 A P > - 0 0 36 0, 0.0 3,-2.0 0, 0.0 -1,-0.0 -0.351 38.4-101.5 -69.3 159.5 -26.0 47.0 95.1 215 350 A D T 3 S+ 0 0 163 1,-0.3 -2,-0.0 -2,-0.0 0, 0.0 0.836 119.0 64.1 -51.7 -40.6 -26.5 50.8 95.4 216 351 A F T 3 S+ 0 0 114 2,-0.0 2,-0.6 -27,-0.0 -1,-0.3 0.537 76.5 106.8 -63.9 -9.5 -23.5 51.5 93.1 217 352 A V S < S- 0 0 8 -3,-2.0 -4,-0.1 4,-0.1 -32,-0.0 -0.663 71.5-130.2 -81.7 119.8 -25.2 49.8 90.1 218 353 A T > - 0 0 53 -2,-0.6 4,-3.2 1,-0.1 5,-0.1 -0.259 13.6-115.5 -65.6 152.0 -26.4 52.4 87.7 219 354 A E H > S+ 0 0 169 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.865 117.3 48.1 -55.7 -48.4 -29.9 52.7 86.2 220 355 A G H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 27,-0.2 0.873 114.9 45.2 -63.0 -42.0 -28.7 52.0 82.6 221 356 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.941 113.0 50.8 -66.3 -46.6 -26.7 48.9 83.9 222 357 A R H X S+ 0 0 86 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.911 112.1 49.6 -54.7 -45.2 -29.7 47.8 86.0 223 358 A D H X S+ 0 0 56 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.904 111.7 45.0 -60.4 -53.4 -31.9 48.2 82.8 224 359 A L H X S+ 0 0 1 -4,-2.2 4,-1.5 2,-0.2 3,-0.3 0.924 115.2 48.1 -57.7 -51.5 -29.5 46.1 80.5 225 360 A I H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 3,-0.4 0.911 109.7 52.6 -57.2 -47.1 -29.1 43.3 83.1 226 361 A S H < S+ 0 0 50 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.792 109.8 49.8 -60.9 -31.6 -32.9 43.1 83.7 227 362 A R H < S+ 0 0 118 -4,-1.4 -1,-0.2 -3,-0.3 3,-0.2 0.781 115.5 42.3 -75.8 -33.2 -33.5 42.7 79.9 228 363 A L H < S+ 0 0 0 -4,-1.5 2,-1.5 -3,-0.4 -2,-0.2 0.828 104.5 67.2 -82.3 -37.2 -30.9 39.9 79.7 229 364 A L < + 0 0 7 -4,-2.9 2,-0.4 -5,-0.2 -1,-0.2 -0.506 69.6 139.1 -88.8 66.4 -31.9 38.2 82.9 230 365 A K - 0 0 80 -2,-1.5 6,-0.2 -3,-0.2 -21,-0.1 -0.958 51.4-146.3-112.7 126.4 -35.4 37.0 81.7 231 366 A H S S+ 0 0 72 -2,-0.4 -67,-0.2 -23,-0.1 -1,-0.1 0.887 89.6 74.5 -53.4 -44.7 -36.7 33.5 82.6 232 367 A N S >> S- 0 0 78 1,-0.1 3,-1.3 -3,-0.1 4,-0.7 -0.661 76.1-152.3 -76.8 113.2 -38.5 33.5 79.2 233 368 A P G >4 S+ 0 0 28 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.857 93.9 53.5 -52.8 -43.9 -35.9 32.9 76.4 234 369 A S G 34 S+ 0 0 86 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.656 101.0 61.5 -68.1 -19.3 -37.9 34.8 73.7 235 370 A Q G <4 S+ 0 0 116 -3,-1.3 -1,-0.2 -5,-0.1 -4,-0.1 0.693 82.9 97.2 -79.5 -21.6 -38.1 37.9 76.0 236 371 A R S << S- 0 0 3 -3,-1.1 -8,-0.2 -4,-0.7 -58,-0.1 -0.450 82.6-111.4 -67.0 135.9 -34.3 38.3 76.0 237 372 A P - 0 0 14 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.161 27.3-100.2 -70.2 167.2 -33.1 40.9 73.5 238 373 A M > - 0 0 114 1,-0.1 4,-1.5 -61,-0.0 3,-0.4 -0.429 36.0-108.4 -77.3 159.6 -31.1 40.3 70.2 239 374 A L H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.863 121.1 55.6 -60.4 -33.8 -27.3 41.0 70.3 240 375 A R H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.846 103.1 54.4 -67.1 -34.6 -27.8 44.1 68.1 241 376 A E H 4 S+ 0 0 104 -3,-0.4 4,-0.3 2,-0.2 -1,-0.2 0.869 110.0 48.2 -65.1 -36.5 -30.4 45.5 70.7 242 377 A V H >< S+ 0 0 1 -4,-1.5 3,-1.2 2,-0.2 -2,-0.2 0.931 112.2 47.7 -66.2 -49.3 -27.5 45.0 73.4 243 378 A L H 3< S+ 0 0 30 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.834 114.9 47.2 -62.3 -30.1 -25.0 46.8 71.0 244 379 A E T 3< S+ 0 0 146 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.478 84.8 123.5 -87.5 -6.8 -27.6 49.5 70.5 245 380 A H <> - 0 0 17 -3,-1.2 4,-2.6 -4,-0.3 3,-0.3 -0.328 66.9-129.8 -58.9 136.0 -28.4 49.9 74.3 246 381 A P H > S+ 0 0 93 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.858 107.2 51.1 -55.0 -44.0 -27.9 53.5 75.6 247 382 A W H > S+ 0 0 11 -27,-0.2 4,-1.2 2,-0.2 5,-0.2 0.817 113.5 46.9 -64.2 -33.9 -25.7 52.4 78.6 248 383 A I H > S+ 0 0 2 -3,-0.3 4,-3.0 -6,-0.2 3,-0.5 0.967 113.0 46.7 -71.7 -54.5 -23.5 50.4 76.2 249 384 A T H < S+ 0 0 96 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.1 0.820 115.9 47.5 -58.1 -32.4 -23.2 53.2 73.6 250 385 A A H < S+ 0 0 81 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.769 124.5 26.6 -79.5 -32.7 -22.4 55.8 76.4 251 386 A N H < S+ 0 0 25 -4,-1.2 -141,-0.2 -3,-0.5 -2,-0.2 0.673 99.6 93.6-107.1 -24.6 -19.7 53.7 78.2 252 387 A S < 0 0 31 -4,-3.0 -142,-0.1 -143,-0.2 -145,-0.1 -0.214 360.0 360.0 -71.2 163.8 -18.2 51.4 75.6 253 388 A S 0 0 130 -147,-0.2 -1,-0.1 -146,-0.1 -2,-0.1 -0.363 360.0 360.0-127.2 360.0 -15.0 51.9 73.5