==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 03-MAR-10 3M11 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE 6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.WU,J.S.LEOU,M.S.COUMAR,H.P.HSIEH,S.Y.WU . 255 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12987.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 66.3 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 . 41 16.1 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 . 12 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 0 3 0 1 0 2 1 0 0 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 1 1 1 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 0 137 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.1 0.8 20.7 26.3 2 127 A Q - 0 0 172 71,-0.1 73,-0.1 73,-0.0 2,-0.1 -0.944 360.0-166.7-128.9 112.8 0.1 17.7 24.0 3 128 A W - 0 0 91 71,-0.5 2,-0.3 -2,-0.4 73,-0.1 -0.278 12.2-166.0-100.0 177.4 -1.9 18.3 20.8 4 129 A A > - 0 0 34 71,-0.1 3,-1.8 -2,-0.1 4,-0.2 -0.961 38.9-100.2-157.7 157.5 -3.7 16.3 18.1 5 130 A L G > S+ 0 0 52 -2,-0.3 3,-1.5 1,-0.3 72,-0.0 0.786 115.6 60.7 -55.7 -35.7 -5.1 17.1 14.7 6 131 A E G 3 S+ 0 0 136 1,-0.3 -1,-0.3 3,-0.0 22,-0.1 0.510 87.7 75.9 -76.8 -4.7 -8.8 17.5 15.8 7 132 A D G < S+ 0 0 46 -3,-1.8 21,-3.0 21,-0.1 22,-0.3 0.614 97.1 55.2 -72.0 -15.7 -7.7 20.4 18.1 8 133 A F E < S-A 27 0A 9 -3,-1.5 2,-0.5 19,-0.3 19,-0.2 -0.877 71.5-136.1-126.8 147.4 -7.5 22.6 15.0 9 134 A E E -A 26 0A 101 17,-2.2 17,-1.4 -2,-0.3 2,-0.3 -0.917 34.9-131.0 -93.6 129.1 -9.5 23.8 12.0 10 135 A I E -A 25 0A 87 -2,-0.5 15,-0.3 15,-0.2 2,-0.1 -0.647 29.2-175.6 -85.2 136.9 -7.3 23.6 8.9 11 136 A G E - 0 0 36 13,-3.6 -1,-0.1 -2,-0.3 3,-0.1 -0.117 37.3 -32.9-112.2-151.9 -7.2 26.7 6.7 12 137 A R E - 0 0 151 11,-0.1 12,-2.6 1,-0.1 -1,-0.3 -0.288 64.7-100.0 -72.3 150.4 -5.6 27.7 3.4 13 138 A P E -A 23 0A 86 0, 0.0 10,-0.3 0, 0.0 -1,-0.1 -0.512 29.1-167.6 -63.8 134.4 -2.3 26.3 2.1 14 139 A L E - 0 0 56 8,-3.1 2,-0.2 1,-0.4 9,-0.2 0.709 55.2 -73.1 -96.0 -28.0 0.4 28.9 2.8 15 140 A G E -A 22 0A 38 7,-1.0 7,-2.1 2,-0.0 2,-0.4 -0.829 50.7 -66.5 155.0 172.8 3.0 27.2 0.5 16 141 A K E -A 21 0A 91 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.719 30.8-168.0 -87.9 132.2 5.4 24.3 0.0 17 142 A G E > -A 20 0A 26 3,-2.8 3,-1.5 -2,-0.4 -2,-0.0 -0.870 39.5-110.4-103.7 152.6 8.5 23.8 2.1 18 143 A K T 3 S+ 0 0 104 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.790 119.6 34.7 -59.0 -29.0 10.9 21.1 0.7 19 144 A F T 3 S- 0 0 78 1,-0.2 21,-0.6 20,-0.0 -1,-0.3 0.377 131.7 -7.9-102.9 3.5 10.1 18.7 3.6 20 145 A G E < -AB 17 39A 9 -3,-1.5 -3,-2.8 19,-0.2 -1,-0.2 -0.909 64.0 -99.3 175.0 158.4 6.4 19.7 4.0 21 146 A N E -AB 16 38A 70 17,-1.0 17,-2.0 -2,-0.3 2,-0.4 -0.517 32.9-139.2 -82.9 156.4 3.4 21.9 3.2 22 147 A V E -AB 15 37A 24 -7,-2.1 -8,-3.1 15,-0.2 -7,-1.0 -0.953 17.2-171.5-121.3 141.2 2.2 24.7 5.5 23 148 A Y E -AB 13 36A 60 13,-2.8 13,-2.4 -2,-0.4 2,-0.2 -0.973 27.6-120.2-128.4 143.1 -1.4 25.6 6.4 24 149 A L E + B 0 35A 34 -12,-2.6 -13,-3.6 -2,-0.4 2,-0.3 -0.516 47.1 169.6 -64.8 148.0 -3.2 28.4 8.2 25 150 A A E -AB 10 34A 2 9,-1.9 9,-2.5 -15,-0.3 2,-0.4 -0.961 26.7-144.6-160.7 169.0 -5.0 26.8 11.1 26 151 A R E -AB 9 33A 87 -17,-1.4 -17,-2.2 -2,-0.3 2,-0.3 -0.966 23.6-121.0-151.2 117.1 -6.8 27.8 14.3 27 152 A E E >> -AB 8 32A 14 5,-2.0 4,-2.5 -2,-0.4 5,-0.6 -0.473 27.5-140.6 -61.8 121.9 -7.0 26.1 17.7 28 153 A K T 45S+ 0 0 97 -21,-3.0 -1,-0.1 -2,-0.3 -20,-0.1 0.862 92.2 47.8 -57.9 -46.4 -10.7 25.4 18.2 29 154 A Q T 45S+ 0 0 166 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.859 127.3 23.6 -65.3 -41.6 -11.0 26.1 21.9 30 155 A S T 45S- 0 0 74 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.594 93.9-130.4-101.1 -16.3 -9.2 29.5 21.9 31 156 A K T <5 + 0 0 140 -4,-2.5 2,-0.4 1,-0.2 -3,-0.2 0.780 46.9 166.9 62.0 30.7 -9.7 30.5 18.3 32 157 A F E < -B 27 0A 108 -5,-0.6 -5,-2.0 1,-0.0 2,-0.3 -0.636 30.0-136.2 -78.0 124.4 -5.9 31.2 18.1 33 158 A I E +B 26 0A 73 -2,-0.4 54,-0.4 -7,-0.2 2,-0.3 -0.624 40.5 139.5 -84.4 139.2 -4.6 31.7 14.5 34 159 A L E -B 25 0A 9 -9,-2.5 -9,-1.9 -2,-0.3 2,-0.3 -0.978 48.4 -94.4-167.1 168.7 -1.3 30.0 13.6 35 160 A A E -BC 24 85A 7 50,-2.4 50,-4.0 -2,-0.3 2,-0.4 -0.765 28.5-162.6 -99.5 148.0 0.7 28.0 11.0 36 161 A L E -BC 23 84A 0 -13,-2.4 -13,-2.8 -2,-0.3 2,-0.6 -0.999 4.9-154.1-132.9 126.4 0.8 24.3 10.9 37 162 A K E -BC 22 83A 48 46,-2.4 46,-2.0 -2,-0.4 2,-0.8 -0.916 6.3-152.2-109.4 117.1 3.5 22.4 9.0 38 163 A V E +BC 21 82A 21 -17,-2.0 -17,-1.0 -2,-0.6 2,-0.3 -0.789 19.7 177.0 -93.4 106.8 2.6 18.8 7.8 39 164 A L E -BC 20 81A 5 42,-3.3 42,-2.4 -2,-0.8 2,-0.4 -0.863 25.7-122.6-109.3 144.5 5.8 16.6 7.5 40 165 A F E > - C 0 80A 78 -21,-0.6 4,-1.8 -2,-0.3 40,-0.3 -0.720 3.2-142.0 -94.3 135.6 5.7 12.9 6.6 41 166 A K H > S+ 0 0 25 38,-2.9 4,-1.7 -2,-0.4 39,-0.2 0.889 102.5 49.3 -54.1 -41.9 7.3 10.2 8.8 42 167 A A H > S+ 0 0 69 37,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.953 109.6 45.9 -68.8 -54.3 8.5 8.4 5.6 43 168 A Q H > S+ 0 0 73 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.829 111.7 56.0 -58.3 -30.8 10.2 11.2 3.7 44 169 A L H <>S+ 0 0 5 -4,-1.8 5,-1.9 2,-0.2 6,-0.8 0.897 109.1 43.9 -72.1 -44.4 11.9 12.3 7.0 45 170 A E H ><5S+ 0 0 126 -4,-1.7 3,-2.8 3,-0.2 -2,-0.2 0.977 107.5 59.6 -57.5 -60.3 13.5 8.9 7.7 46 171 A K H 3<5S+ 0 0 93 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.783 110.9 41.1 -41.2 -41.2 14.7 8.4 4.0 47 172 A A T 3<5S- 0 0 60 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.551 109.5-124.5 -87.3 -7.9 16.8 11.6 4.2 48 173 A G T < 5S+ 0 0 58 -3,-2.8 3,-0.3 -4,-0.4 -3,-0.2 0.743 76.3 122.8 71.8 24.4 18.0 10.8 7.7 49 174 A V >< + 0 0 15 -5,-1.9 4,-1.9 -6,-0.2 3,-0.2 0.404 35.8 97.1 -99.1 -0.9 16.7 14.1 9.0 50 175 A E H > S+ 0 0 39 -6,-0.8 4,-1.5 1,-0.3 -1,-0.2 0.873 89.0 46.5 -56.4 -40.7 14.4 12.8 11.7 51 176 A H H > S+ 0 0 120 -3,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.790 107.7 59.1 -71.7 -27.6 17.1 13.4 14.3 52 177 A Q H > S+ 0 0 50 2,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.862 104.1 50.0 -63.6 -39.8 17.6 16.9 12.7 53 178 A L H X S+ 0 0 22 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.909 106.9 53.7 -69.5 -42.7 14.0 17.8 13.4 54 179 A R H X S+ 0 0 152 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.903 107.5 52.4 -56.7 -44.0 14.2 16.8 17.1 55 180 A R H X S+ 0 0 126 -4,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.960 111.3 46.9 -53.1 -56.5 17.3 19.0 17.4 56 181 A E H X S+ 0 0 19 -4,-2.1 4,-3.6 95,-0.3 5,-0.2 0.967 111.5 48.2 -49.1 -65.5 15.3 22.0 16.0 57 182 A V H X S+ 0 0 19 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.908 114.6 48.0 -45.2 -52.8 12.2 21.5 18.1 58 183 A E H < S+ 0 0 106 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.939 115.8 43.7 -49.4 -55.8 14.5 21.2 21.2 59 184 A I H >< S+ 0 0 25 -4,-3.2 3,-1.1 1,-0.2 4,-0.4 0.869 111.4 55.0 -58.5 -42.1 16.4 24.3 20.1 60 185 A Q H >< S+ 0 0 8 -4,-3.6 3,-2.5 1,-0.3 -2,-0.2 0.935 100.9 54.5 -64.8 -51.1 13.3 26.3 19.2 61 186 A S T 3< S+ 0 0 82 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.421 104.3 58.5 -67.0 1.6 11.4 26.0 22.5 62 187 A H T < S+ 0 0 124 -3,-1.1 2,-0.3 -4,-0.2 -1,-0.3 0.536 98.0 81.6 -92.2 -15.8 14.5 27.4 24.2 63 188 A L < + 0 0 10 -3,-2.5 2,-0.3 -4,-0.4 8,-0.2 -0.705 45.7 165.8-104.9 142.3 14.3 30.5 22.1 64 189 A R + 0 0 61 -2,-0.3 5,-0.1 6,-0.1 3,-0.1 -0.857 16.7 138.6-153.8 116.6 12.2 33.7 22.4 65 190 A H > - 0 0 39 3,-0.4 3,-2.2 -2,-0.3 5,-0.0 -0.960 56.1-120.7-156.6 139.0 12.8 36.9 20.5 66 191 A P T 3 S+ 0 0 96 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.844 116.4 46.1 -52.0 -34.3 10.4 39.4 18.8 67 192 A N T 3 S+ 0 0 12 47,-0.1 80,-2.2 79,-0.1 2,-0.4 0.204 97.9 81.7 -96.9 15.5 12.3 38.7 15.5 68 193 A I B < S-e 147 0B 4 -3,-2.2 -3,-0.4 78,-0.2 2,-0.4 -0.976 85.0-115.2-113.8 136.4 12.4 34.9 15.7 69 194 A L - 0 0 10 78,-2.5 80,-0.1 -2,-0.4 -2,-0.1 -0.519 33.8-125.5 -68.8 122.9 9.4 32.8 14.7 70 195 A R - 0 0 109 -2,-0.4 16,-2.4 -4,-0.1 2,-0.5 -0.366 12.9-154.8 -66.0 142.6 7.9 31.0 17.6 71 196 A L E -D 85 0A 4 -8,-0.2 14,-0.2 14,-0.2 3,-0.1 -0.993 7.9-170.6-109.5 122.2 7.4 27.3 17.5 72 197 A Y E - 0 0 82 12,-2.6 2,-0.3 -2,-0.5 13,-0.2 0.855 54.4 -60.6 -80.7 -32.0 4.6 26.5 19.9 73 198 A G E -D 84 0A 18 11,-1.0 11,-2.4 2,-0.0 -1,-0.3 -0.966 45.1-119.3 170.7-173.6 5.0 22.7 19.9 74 199 A Y E +D 83 0A 128 -2,-0.3 -71,-0.5 9,-0.2 2,-0.3 -0.887 20.7 174.5-145.0 169.2 4.9 19.5 17.8 75 200 A F E -D 82 0A 15 7,-1.3 7,-2.4 -2,-0.3 2,-0.3 -0.878 13.2-144.9-176.3 154.7 3.0 16.2 17.5 76 201 A H E -D 81 0A 129 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.857 8.5-172.9-121.4 155.6 2.7 13.1 15.4 77 202 A D - 0 0 59 3,-1.9 5,-0.0 -2,-0.3 -2,-0.0 -0.445 59.7 -70.2-111.8-157.6 0.0 10.7 14.3 78 203 A A S S+ 0 0 95 -2,-0.2 -37,-0.0 1,-0.2 3,-0.0 0.982 127.7 29.6 -52.3 -65.3 0.9 7.5 12.3 79 204 A T S S+ 0 0 77 -38,-0.1 -38,-2.9 -39,-0.1 -37,-0.6 0.534 119.9 19.1 -80.7 -16.9 2.0 9.0 9.0 80 205 A R E -C 40 0A 78 -40,-0.3 -3,-1.9 -39,-0.2 2,-0.3 -0.981 56.5-119.9-162.6 159.7 3.4 12.4 9.9 81 206 A V E -CD 39 76A 18 -42,-2.4 -42,-3.3 -2,-0.3 2,-0.4 -0.837 26.9-152.8-107.5 145.4 4.8 15.1 12.2 82 207 A Y E -CD 38 75A 2 -7,-2.4 -7,-1.3 -2,-0.3 2,-0.5 -0.980 2.6-157.2-126.6 123.9 3.2 18.4 12.8 83 208 A L E -CD 37 74A 8 -46,-2.0 -46,-2.4 -2,-0.4 2,-0.6 -0.910 10.9-148.0-103.1 125.0 4.9 21.7 13.7 84 209 A I E -CD 36 73A 3 -11,-2.4 -12,-2.6 -2,-0.5 -11,-1.0 -0.817 29.8-173.2 -93.5 115.9 2.7 24.3 15.4 85 210 A L E -CD 35 71A 24 -50,-4.0 -50,-2.4 -2,-0.6 -14,-0.2 -0.810 34.2-109.0-121.7 148.1 4.0 27.7 14.3 86 211 A E - 0 0 32 -16,-2.4 2,-0.4 -2,-0.3 -52,-0.2 -0.491 48.4-125.1 -59.8 142.4 3.6 31.3 15.0 87 212 A Y - 0 0 63 -54,-0.4 -17,-0.1 -2,-0.1 -1,-0.1 -0.808 15.2-152.6-100.5 137.8 1.9 32.6 11.8 88 213 A A > - 0 0 11 -2,-0.4 3,-2.2 1,-0.2 51,-0.3 -0.813 4.6-165.9-116.6 93.5 3.4 35.5 9.8 89 214 A P T 3 S+ 0 0 54 0, 0.0 51,-0.2 0, 0.0 -1,-0.2 0.772 82.8 56.6 -48.0 -42.7 0.6 37.4 8.0 90 215 A L T 3 S- 0 0 99 49,-0.9 50,-0.2 1,-0.2 51,-0.0 0.358 96.3-145.7 -81.7 7.9 3.0 39.3 5.6 91 216 A G < - 0 0 29 -3,-2.2 48,-1.8 48,-0.4 -1,-0.2 -0.151 40.8 -15.9 71.4-160.7 4.7 36.2 4.1 92 217 A T B > -F 138 0B 37 46,-0.2 4,-1.3 1,-0.1 46,-0.2 -0.442 40.2-136.7 -86.5 155.0 8.3 35.9 3.0 93 218 A V H > S+ 0 0 0 44,-2.5 4,-2.4 41,-0.7 42,-0.2 0.810 109.9 66.4 -71.2 -33.4 11.0 38.5 2.3 94 219 A Y H > S+ 0 0 94 40,-1.7 4,-1.7 43,-0.4 -1,-0.2 0.891 102.9 43.6 -48.3 -45.8 11.6 36.3 -0.7 95 220 A R H > S+ 0 0 117 39,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.858 111.0 54.1 -72.7 -35.0 8.2 37.2 -2.0 96 221 A E H X S+ 0 0 33 -4,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.832 106.3 54.1 -68.9 -30.5 8.7 40.9 -1.2 97 222 A L H X S+ 0 0 11 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.950 111.5 42.7 -64.8 -53.4 11.9 40.8 -3.2 98 223 A Q H < S+ 0 0 95 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.885 116.8 48.6 -60.1 -44.1 10.2 39.4 -6.3 99 224 A K H < S+ 0 0 144 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.981 126.0 27.6 -58.7 -56.5 7.3 41.8 -5.8 100 225 A L H < S- 0 0 87 -4,-3.0 2,-1.9 -5,-0.2 -2,-0.2 0.568 91.9-142.2 -83.9 -10.4 9.6 44.9 -5.3 101 226 A S S < S+ 0 0 86 -4,-2.6 2,-0.3 -5,-0.1 -1,-0.1 -0.341 77.5 2.1 76.1 -56.2 12.6 43.7 -7.4 102 227 A K S S- 0 0 105 -2,-1.9 2,-0.2 -6,-0.1 87,-0.2 -0.971 77.8-115.1-156.0 154.6 15.1 45.2 -4.9 103 228 A F - 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0 0 78 -5,-1.5 2,-0.3 -6,-0.4 -1,-0.2 -0.135 59.9 -73.6 -95.9-174.5 35.7 22.8 6.6 171 305 A M - 0 0 151 -3,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.651 48.1-163.1 -88.0 136.4 35.1 23.8 10.3 172 306 A H + 0 0 58 -2,-0.3 2,-0.2 -6,-0.1 -1,-0.0 -0.928 14.1 177.2-132.2 142.7 32.6 26.6 11.2 173 307 A D > - 0 0 50 -2,-0.3 3,-2.6 -18,-0.0 4,-0.2 -0.582 59.8 -64.7-126.5-172.8 31.7 28.9 14.1 174 308 A E T >> S+ 0 0 78 1,-0.3 3,-1.4 -2,-0.2 4,-0.6 0.701 118.5 82.7 -52.3 -21.8 29.1 31.8 14.7 175 309 A K H 3> S+ 0 0 22 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.655 73.0 77.3 -58.2 -18.0 31.0 33.7 12.0 176 310 A V H X> S+ 0 0 0 -3,-2.6 4,-1.9 1,-0.2 3,-1.0 0.942 88.7 55.4 -50.5 -50.8 28.9 31.7 9.5 177 311 A D H <> S+ 0 0 0 -3,-1.4 4,-2.0 1,-0.3 -1,-0.2 0.803 100.8 57.0 -64.1 -31.1 25.9 34.0 10.3 178 312 A L H 3X S+ 0 0 3 -4,-0.6 4,-1.6 2,-0.2 -1,-0.3 0.818 103.8 53.3 -67.8 -31.9 27.9 37.2 9.4 179 313 A W H - 0 0 8 0, 0.0 3,-1.4 0, 0.0 -9,-0.1 -0.268 36.8-119.6 -72.9 146.3 22.6 37.1 -4.4 194 328 A P T 3 S+ 0 0 3 0, 0.0 19,-0.2 0, 0.0 -10,-0.0 0.562 108.9 38.0 -64.1 -17.6 26.3 38.0 -4.9 195 329 A F T 3 S+ 0 0 0 -35,-0.2 11,-0.2 17,-0.1 12,-0.2 0.467 82.9 147.5-108.7 -7.8 27.6 34.6 -6.0 196 330 A E < + 0 0 85 -3,-1.4 2,-0.2 -36,-0.1 -4,-0.0 0.088 15.4 157.5 -35.4 125.0 24.6 33.6 -8.1 197 331 A A - 0 0 29 2,-0.1 -37,-0.1 1,-0.0 -1,-0.1 -0.770 51.9-111.3-135.3-178.5 25.3 31.3 -11.1 198 332 A N S S+ 0 0 152 -2,-0.2 2,-0.3 1,-0.0 3,-0.1 0.603 98.7 52.2 -95.4 -9.8 23.5 28.8 -13.3 199 333 A T > - 0 0 57 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.924 69.7-140.3-123.0 154.0 25.5 25.9 -12.0 200 334 A Y H > S+ 0 0 128 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.910 106.2 56.7 -63.3 -48.0 26.3 24.5 -8.5 201 335 A Q H > S+ 0 0 132 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.782 114.1 40.3 -56.2 -27.5 29.9 23.7 -9.6 202 336 A E H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.1 -1,-0.2 0.787 109.3 53.6-102.5 -34.3 30.4 27.4 -10.6 203 337 A T H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.831 107.3 59.8 -57.5 -35.9 28.6 29.1 -7.7 204 338 A Y H X S+ 0 0 78 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.955 105.6 44.7 -56.8 -52.8 31.0 26.9 -5.8 205 339 A K H X S+ 0 0 115 -4,-1.0 4,-2.7 2,-0.2 5,-0.3 0.968 113.3 50.1 -55.9 -53.2 34.0 28.6 -7.4 206 340 A R H X>S+ 0 0 68 -4,-2.4 5,-2.6 1,-0.2 4,-1.0 0.905 113.5 44.7 -54.8 -50.0 32.6 32.1 -7.0 207 341 A I H ><5S+ 0 0 0 -4,-2.5 3,-1.1 3,-0.2 -1,-0.2 0.954 113.1 51.7 -58.9 -51.4 31.8 31.7 -3.3 208 342 A S H 3<5S+ 0 0 33 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.835 117.5 37.9 -55.6 -39.7 35.2 30.0 -2.7 209 343 A R H 3<5S- 0 0 147 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.545 107.3-125.8 -87.0 -6.7 37.1 32.9 -4.4 210 344 A V T <<5 + 0 0 30 -3,-1.1 2,-1.1 -4,-1.0 -3,-0.2 0.958 45.7 176.6 56.4 55.1 34.7 35.5 -2.9 211 345 A E < + 0 0 84 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.744 14.8 129.5-102.6 93.6 34.1 36.7 -6.3 212 346 A F - 0 0 40 -2,-1.1 2,-0.3 -3,-0.2 -17,-0.1 -0.987 32.3-163.6-142.0 151.2 31.6 39.5 -6.5 213 347 A T - 0 0 116 -2,-0.3 -2,-0.0 -19,-0.2 0, 0.0 -0.949 21.8-120.5-131.6 160.6 31.1 43.0 -8.0 214 348 A F - 0 0 32 -2,-0.3 4,-0.0 4,-0.1 -2,-0.0 -0.788 20.7-120.9-103.7 133.7 28.7 45.8 -7.2 215 349 A P > - 0 0 36 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.280 38.6-106.5 -62.2 163.4 26.3 47.4 -9.7 216 350 A D T 3 S+ 0 0 157 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.673 112.4 66.7 -75.6 -15.7 26.9 51.1 -9.9 217 351 A F T 3 S+ 0 0 114 2,-0.1 2,-0.7 -27,-0.0 -1,-0.3 0.160 75.7 105.0 -86.2 17.0 23.9 52.2 -7.9 218 352 A V S < S- 0 0 8 -3,-1.0 -4,-0.1 -4,-0.0 5,-0.1 -0.893 72.8-128.4-105.2 116.8 25.2 50.7 -4.7 219 353 A T > - 0 0 59 -2,-0.7 4,-2.4 1,-0.1 3,-0.3 -0.147 17.1-112.4 -67.8 158.4 26.5 53.4 -2.4 220 354 A E H > S+ 0 0 168 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.864 117.1 57.5 -53.8 -41.5 30.0 53.4 -0.8 221 355 A G H > S+ 0 0 22 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.905 108.6 44.8 -59.4 -44.1 28.4 52.9 2.6 222 356 A A H > S+ 0 0 0 -3,-0.3 4,-2.8 1,-0.2 5,-0.3 0.945 113.0 50.6 -64.6 -48.0 26.6 49.7 1.5 223 357 A R H X S+ 0 0 71 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.832 107.1 57.0 -56.5 -36.8 29.8 48.4 -0.3 224 358 A D H X S+ 0 0 94 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.906 111.3 39.7 -64.3 -43.6 31.7 49.1 2.9 225 359 A L H X S+ 0 0 2 -4,-1.6 4,-2.1 -3,-0.2 -2,-0.2 0.925 118.1 46.5 -73.5 -45.5 29.5 46.9 5.0 226 360 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 3,-0.3 0.966 111.5 52.7 -63.4 -48.4 29.1 44.1 2.5 227 361 A S H < S+ 0 0 53 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.852 111.6 47.2 -52.8 -36.5 32.8 44.1 1.8 228 362 A R H < S+ 0 0 30 -4,-1.3 -1,-0.2 -5,-0.2 3,-0.2 0.837 114.1 46.0 -78.1 -31.0 33.5 43.8 5.5 229 363 A L H < S+ 0 0 0 -4,-2.1 2,-1.8 -3,-0.3 -2,-0.2 0.884 101.2 65.7 -78.8 -38.5 31.0 40.9 6.0 230 364 A L < + 0 0 5 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 -0.461 69.6 146.3 -88.4 66.1 31.9 38.8 3.0 231 365 A K - 0 0 81 -2,-1.8 6,-0.1 -3,-0.2 -21,-0.1 -0.861 49.6-139.9-105.7 137.5 35.4 37.8 4.1 232 366 A H S S+ 0 0 68 -2,-0.4 -67,-0.3 1,-0.1 -1,-0.1 0.861 91.7 66.8 -64.0 -37.5 36.9 34.4 3.3 233 367 A N S > S- 0 0 71 1,-0.2 3,-2.0 -69,-0.1 4,-0.4 -0.785 77.8-148.5 -90.1 112.6 38.5 34.1 6.7 234 368 A P G > S+ 0 0 14 0, 0.0 3,-3.0 0, 0.0 -1,-0.2 0.908 94.4 58.9 -42.7 -56.1 35.8 33.8 9.4 235 369 A S G 3 S+ 0 0 89 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.615 97.8 61.0 -56.0 -17.4 37.9 35.6 12.1 236 370 A Q G < S+ 0 0 120 -3,-2.0 -1,-0.3 -5,-0.0 -4,-0.1 0.577 83.2 102.6 -83.9 -11.4 38.2 38.7 9.9 237 371 A R S < S- 0 0 6 -3,-3.0 -8,-0.1 -4,-0.4 -58,-0.1 -0.503 79.4 -98.0 -76.8 142.5 34.4 39.2 9.9 238 372 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.170 34.9-101.1 -45.8 164.2 32.8 42.0 12.2 239 373 A M >> - 0 0 105 1,-0.1 4,-1.7 -61,-0.0 3,-0.7 -0.678 37.8-110.8 -79.8 149.7 31.2 41.5 15.6 240 374 A L H 3> S+ 0 0 12 -2,-0.3 4,-1.4 1,-0.2 -1,-0.1 0.841 121.7 53.4 -52.0 -30.5 27.4 41.4 15.4 241 375 A R H 3> S+ 0 0 152 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.834 98.7 59.2 -74.8 -33.2 27.6 44.8 17.2 242 376 A E H <> S+ 0 0 97 -3,-0.7 4,-1.0 1,-0.2 -1,-0.2 0.903 107.9 49.6 -60.0 -39.0 30.1 46.4 14.7 243 377 A V H < S+ 0 0 1 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.901 111.4 47.3 -59.8 -45.6 27.3 45.7 12.2 244 378 A L H < S+ 0 0 42 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.791 113.8 48.5 -69.9 -28.3 24.8 47.3 14.5 245 379 A E H < S+ 0 0 100 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.733 83.2 132.3 -73.3 -23.4 27.1 50.3 15.1 246 380 A H X - 0 0 25 -4,-1.0 4,-3.6 -3,-0.4 5,-0.3 0.097 60.0-135.5 -58.0 139.2 27.7 50.7 11.4 247 381 A P H > S+ 0 0 93 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.672 107.7 46.1 -70.3 -17.6 27.4 54.3 10.2 248 382 A W H > S+ 0 0 14 -27,-0.2 4,-0.7 2,-0.2 5,-0.1 0.767 114.0 48.8 -88.8 -33.6 25.4 53.1 7.1 249 383 A I H >> S+ 0 0 4 -6,-0.2 4,-3.6 2,-0.2 3,-1.0 0.986 117.7 40.8 -59.7 -60.0 23.2 50.9 9.3 250 384 A T H 3< S+ 0 0 84 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.1 0.877 112.6 53.5 -61.3 -43.0 22.6 53.7 11.8 251 385 A A H 3< S+ 0 0 78 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.768 125.3 26.5 -58.9 -23.1 22.2 56.5 9.1 252 386 A N H << S+ 0 0 32 -3,-1.0 -2,-0.2 -4,-0.7 -142,-0.2 0.775 95.2 98.9-113.2 -35.8 19.5 54.3 7.4 253 387 A S < - 0 0 24 -4,-3.6 -146,-0.1 -144,-0.2 -147,-0.1 -0.335 44.3-165.8 -76.8 138.6 17.9 51.9 10.0 254 388 A S + 0 0 100 -148,-0.4 -1,-0.1 -2,-0.1 -147,-0.1 0.767 68.5 73.7 -87.2 -32.6 14.4 52.7 11.6 255 389 A K 0 0 89 1,-0.1 -2,-0.0 -146,-0.0 -142,-0.0 -0.525 360.0 360.0 -85.6 148.8 14.6 50.1 14.4 256 390 A P 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.109 360.0 360.0 -68.6 360.0 16.8 50.3 17.6