==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-JUN-08 3DJ5 . COMPND 2 MOLECULE: SERINE/THREONINE KINASE 6; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR R.A.ELLING,D.A ERLANSON,W.YANG,B.T.TANGONAN,S.K.HANSEN, . 252 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 67.5 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 . 35 13.9 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 . 20 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.3 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 1 1 1 1 0 2 1 0 0 0 0 0 1 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 1 1 2 0 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 1 141 A W 0 0 162 0, 0.0 2,-0.3 0, 0.0 73,-0.2 0.000 360.0 360.0 360.0 147.0 64.2 28.2 33.7 2 142 A T > - 0 0 65 71,-0.1 3,-2.0 1,-0.1 4,-0.2 -0.925 360.0-107.3-133.6 161.5 60.5 27.9 34.9 3 143 A L G > S+ 0 0 42 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.856 117.1 63.6 -53.9 -37.3 57.1 28.1 33.1 4 144 A E G 3 S+ 0 0 134 1,-0.3 -1,-0.3 3,-0.0 22,-0.0 0.590 87.7 70.6 -68.8 -12.0 56.6 31.5 34.7 5 145 A D G < S+ 0 0 40 -3,-2.0 21,-2.8 21,-0.1 2,-0.4 0.510 95.6 67.0 -77.9 -7.0 59.6 32.9 32.8 6 146 A F E < -A 25 0A 13 -3,-1.7 2,-0.5 19,-0.2 19,-0.2 -0.921 65.8-145.9-125.0 141.1 57.6 32.7 29.5 7 147 A D E -A 24 0A 55 17,-2.9 17,-1.9 -2,-0.4 2,-0.5 -0.924 30.7-142.5 -93.7 126.0 54.6 34.3 27.8 8 148 A I E +A 23 0A 87 -2,-0.5 15,-0.2 15,-0.2 14,-0.1 -0.809 26.2 173.4 -98.8 125.7 52.9 31.6 25.7 9 149 A G E - 0 0 40 13,-3.6 14,-0.1 -2,-0.5 -1,-0.1 0.086 39.9 -18.1-106.3-144.6 51.5 32.6 22.3 10 150 A R E - 0 0 146 11,-0.1 12,-3.0 1,-0.1 -1,-0.3 -0.282 69.6-101.4 -69.3 146.4 50.0 30.9 19.3 11 151 A P E -A 21 0A 89 0, 0.0 2,-0.4 0, 0.0 10,-0.3 -0.396 38.5-141.5 -66.0 142.4 50.4 27.2 18.5 12 152 A L > + 0 0 24 8,-3.1 3,-0.6 1,-0.1 8,-0.4 -0.863 68.0 11.9-110.1 139.7 53.0 26.4 15.8 13 153 A G G > S- 0 0 38 -2,-0.4 3,-2.2 1,-0.2 -1,-0.1 0.550 102.3 -93.8 82.0 8.9 53.0 23.8 13.1 14 154 A K G 3 S- 0 0 204 1,-0.3 -1,-0.2 -3,-0.2 5,-0.1 0.846 82.1 -57.3 52.9 39.2 49.3 22.8 13.3 15 155 A G G X S+ 0 0 53 -3,-0.6 3,-1.6 3,-0.3 -1,-0.3 0.360 110.3 118.5 77.5 -5.3 50.2 19.9 15.7 16 156 A K T < S+ 0 0 157 -3,-2.2 -2,-0.1 1,-0.3 -3,-0.1 0.746 86.4 36.1 -64.2 -23.0 52.6 18.2 13.2 17 157 A F T 3 S- 0 0 52 1,-0.5 -1,-0.3 -5,-0.3 2,-0.2 0.085 120.0-111.7-112.5 18.3 55.4 18.8 15.8 18 158 A G S < S- 0 0 36 -3,-1.6 2,-1.4 -5,-0.1 -1,-0.5 -0.523 76.4 -9.0 83.2-154.6 53.3 18.1 18.8 19 159 A N E S+ B 0 36A 67 17,-0.5 17,-3.1 -2,-0.2 2,-0.4 -0.651 82.3 156.0 -84.1 92.5 52.3 20.8 21.4 20 160 A V E - B 0 35A 13 -2,-1.4 -8,-3.1 -8,-0.4 2,-0.4 -0.962 17.4-173.7-122.8 136.5 54.5 23.7 20.2 21 161 A Y E -AB 11 34A 61 13,-2.4 13,-2.8 -2,-0.4 2,-0.3 -0.968 31.8-113.4-131.6 142.8 53.9 27.4 20.9 22 162 A L E + B 0 33A 43 -12,-3.0 -13,-3.6 -2,-0.4 2,-0.3 -0.589 51.3 180.0 -62.9 132.8 55.4 30.8 19.9 23 163 A A E -AB 8 32A 5 9,-2.9 9,-2.8 -2,-0.3 2,-0.4 -0.933 26.6-149.8-141.1 161.5 56.8 32.1 23.1 24 164 A R E -AB 7 31A 106 -17,-1.9 -17,-2.9 -2,-0.3 2,-0.4 -0.999 25.0-123.6-133.9 129.0 58.6 35.1 24.6 25 165 A E E > -A 6 0A 13 5,-2.3 4,-2.1 -2,-0.4 5,-0.3 -0.624 28.7-138.4 -69.0 124.2 61.0 35.2 27.6 26 166 A R T 4 S+ 0 0 143 -21,-2.8 -1,-0.1 -2,-0.4 -20,-0.1 0.848 92.3 40.3 -62.0 -40.8 59.3 37.8 29.8 27 167 A Q T 4 S+ 0 0 168 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.887 126.7 30.0 -79.9 -40.0 62.4 39.6 31.0 28 168 A S T 4 S- 0 0 70 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.586 93.3-134.3 -93.7 -14.0 64.5 39.8 27.8 29 169 A K < + 0 0 108 -4,-2.1 2,-0.2 1,-0.2 -3,-0.1 0.565 47.4 161.4 65.8 12.9 61.5 39.8 25.3 30 170 A F - 0 0 106 -5,-0.3 -5,-2.3 -6,-0.1 2,-0.4 -0.435 36.1-131.5 -68.0 130.8 63.4 37.2 23.3 31 171 A I E +B 24 0A 76 -7,-0.2 54,-0.4 -2,-0.2 2,-0.2 -0.701 42.8 141.8 -88.6 133.4 61.2 35.3 20.8 32 172 A L E -B 23 0A 6 -9,-2.8 -9,-2.9 -2,-0.4 2,-0.4 -0.850 47.6 -99.5-151.8-178.2 61.5 31.5 20.8 33 173 A A E -BC 22 83A 6 50,-3.1 50,-3.3 -2,-0.2 2,-0.5 -0.967 26.4-156.7-118.5 134.6 59.4 28.3 20.5 34 174 A L E -BC 21 82A 0 -13,-2.8 -13,-2.4 -2,-0.4 2,-0.5 -0.951 3.4-159.9-112.9 123.0 58.3 26.3 23.5 35 175 A K E -BC 20 81A 32 46,-2.5 46,-2.7 -2,-0.5 2,-0.6 -0.888 7.2-153.4-102.9 128.6 57.5 22.6 23.1 36 176 A V E -BC 19 80A 15 -17,-3.1 -17,-0.5 -2,-0.5 2,-0.4 -0.901 9.9-171.8-106.8 119.6 55.4 21.0 25.8 37 177 A L E - C 0 79A 29 42,-3.2 42,-2.4 -2,-0.6 2,-0.5 -0.924 20.6-132.2-109.5 134.6 55.7 17.2 26.5 38 178 A F E >> - C 0 78A 65 -2,-0.4 4,-2.1 40,-0.2 3,-0.5 -0.754 7.3-144.8 -87.9 124.7 53.3 15.4 28.8 39 179 A K H 3> S+ 0 0 49 38,-2.6 4,-3.0 -2,-0.5 5,-0.2 0.842 99.4 60.3 -55.8 -36.4 55.1 13.2 31.3 40 180 A T H 3> S+ 0 0 78 37,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.900 108.5 44.2 -60.1 -39.9 52.2 10.6 31.2 41 181 A Q H <> S+ 0 0 128 -3,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.908 113.6 49.4 -68.7 -44.8 52.8 10.2 27.4 42 182 A L H X>S+ 0 0 23 -4,-2.1 5,-1.7 1,-0.2 4,-1.0 0.911 113.5 47.9 -58.1 -44.1 56.7 10.0 27.8 43 183 A E H <5S+ 0 0 111 -4,-3.0 3,-0.5 1,-0.2 -2,-0.2 0.906 109.7 51.3 -64.2 -43.7 56.2 7.4 30.6 44 184 A K H <5S+ 0 0 182 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.776 113.2 46.1 -67.6 -26.6 53.7 5.3 28.5 45 185 A A H <5S- 0 0 69 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.608 105.2-129.8 -86.8 -17.5 56.2 5.3 25.6 46 186 A G T <5S+ 0 0 50 -4,-1.0 4,-0.3 -3,-0.5 3,-0.2 0.697 71.1 123.8 76.2 21.5 59.2 4.4 27.8 47 187 A V >< + 0 0 34 -5,-1.7 4,-3.0 -6,-0.2 5,-0.3 0.386 29.3 103.2 -98.2 0.9 61.2 7.3 26.3 48 188 A E H > S+ 0 0 75 -6,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.905 87.2 41.0 -52.3 -52.2 62.2 9.4 29.4 49 189 A H H > S+ 0 0 112 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.885 116.3 49.0 -65.5 -39.9 65.8 8.2 29.6 50 190 A Q H > S+ 0 0 10 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.902 110.8 51.2 -67.3 -41.3 66.4 8.3 25.8 51 191 A L H X S+ 0 0 36 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.907 108.0 53.2 -59.0 -45.5 64.9 11.9 25.7 52 192 A R H X S+ 0 0 119 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.911 108.8 48.6 -56.3 -47.0 67.2 12.9 28.5 53 193 A R H X S+ 0 0 126 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.910 114.2 46.7 -59.1 -45.5 70.3 11.6 26.6 54 194 A E H X S+ 0 0 17 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.901 113.8 44.6 -67.0 -46.1 69.3 13.4 23.4 55 195 A V H X S+ 0 0 9 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.862 109.6 57.4 -71.1 -35.1 68.4 16.8 24.9 56 196 A E H < S+ 0 0 90 -4,-2.2 4,-0.4 -5,-0.3 -1,-0.2 0.934 112.4 41.7 -53.9 -48.6 71.6 16.7 27.0 57 197 A I H >< S+ 0 0 69 -4,-1.8 3,-1.3 1,-0.2 4,-0.2 0.948 116.6 47.9 -64.2 -50.5 73.6 16.3 23.7 58 198 A Q H >< S+ 0 0 21 -4,-2.7 3,-1.7 1,-0.2 11,-0.4 0.839 101.3 63.0 -60.5 -37.3 71.5 18.9 21.8 59 199 A S T 3< S+ 0 0 30 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.617 105.8 47.5 -70.8 -10.0 71.6 21.6 24.5 60 200 A H T < S+ 0 0 166 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.3 0.362 98.5 90.8-106.2 -1.2 75.5 21.8 24.1 61 201 A L < - 0 0 17 -3,-1.7 2,-0.3 -4,-0.2 8,-0.3 -0.736 47.2-177.2 -99.2 147.9 75.4 22.0 20.3 62 202 A R + 0 0 178 -2,-0.3 5,-0.1 6,-0.1 3,-0.0 -0.983 15.4 150.5-138.4 131.0 75.3 25.0 18.0 63 203 A H > - 0 0 43 3,-0.4 3,-1.7 -2,-0.3 -2,-0.0 -0.924 44.8-132.0-156.5 135.9 75.1 24.8 14.2 64 204 A P T 3 S+ 0 0 80 0, 0.0 74,-0.1 0, 0.0 4,-0.1 0.743 108.5 46.6 -63.6 -21.6 73.6 27.3 11.7 65 205 A N T 3 S+ 0 0 11 79,-0.1 80,-2.5 47,-0.1 2,-0.4 0.184 99.9 75.2-108.5 17.4 71.7 24.5 9.9 66 206 A I B < S-e 145 0B 9 -3,-1.7 -3,-0.4 78,-0.3 80,-0.1 -0.998 89.7-112.0-124.9 128.6 70.3 22.6 12.9 67 207 A L - 0 0 20 78,-2.7 2,-0.3 -2,-0.4 -2,-0.1 -0.365 44.6-119.6 -58.7 129.1 67.4 24.0 14.8 68 208 A R - 0 0 76 -4,-0.1 16,-2.6 -2,-0.1 2,-0.7 -0.551 16.5-153.5 -84.4 136.7 68.8 25.0 18.2 69 209 A L E -D 83 0A 3 -11,-0.4 14,-0.2 -2,-0.3 -8,-0.2 -0.936 12.6-175.7 -98.3 109.1 67.7 23.6 21.6 70 210 A Y E - 0 0 74 12,-2.1 2,-0.3 -2,-0.7 13,-0.2 0.827 57.2 -57.7 -72.8 -36.2 68.6 26.4 24.0 71 211 A G E -D 82 0A 9 11,-1.2 11,-2.8 2,-0.0 2,-0.3 -0.978 47.5-127.1 173.9-174.4 67.6 24.4 27.1 72 212 A Y E +D 81 0A 88 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.980 15.8 176.8-157.0 158.9 64.9 22.5 28.9 73 213 A F E -D 80 0A 19 7,-1.8 7,-3.1 -2,-0.3 2,-0.3 -0.909 12.0-149.1-153.5 176.0 63.1 22.2 32.3 74 214 A H E -D 79 0A 132 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.972 6.4-165.2-147.3 162.2 60.3 20.2 33.9 75 215 A D - 0 0 58 3,-2.6 -73,-0.0 -2,-0.3 5,-0.0 -0.597 56.0 -65.3-128.1-160.2 57.5 20.4 36.4 76 216 A A S S+ 0 0 91 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.821 130.0 11.5 -59.5 -32.3 55.3 17.7 38.1 77 217 A T S S+ 0 0 90 1,-0.1 -38,-2.6 -38,-0.1 -37,-0.5 0.433 120.6 53.3-129.9 -3.7 53.5 16.6 34.9 78 218 A R E -C 38 0A 89 -40,-0.2 -3,-2.6 -39,-0.1 2,-0.4 -0.955 53.3-148.4-138.6 155.4 55.4 18.2 31.9 79 219 A V E -CD 37 74A 23 -42,-2.4 -42,-3.2 -2,-0.3 2,-0.5 -0.974 22.9-153.0-118.1 138.0 58.8 18.5 30.3 80 220 A Y E -CD 36 73A 0 -7,-3.1 -7,-1.8 -2,-0.4 2,-0.5 -0.950 4.7-157.3-120.1 126.8 59.5 21.8 28.4 81 221 A L E -CD 35 72A 19 -46,-2.7 -46,-2.5 -2,-0.5 2,-0.8 -0.905 10.0-148.0-103.1 127.8 61.9 22.2 25.5 82 222 A I E -CD 34 71A 4 -11,-2.8 -12,-2.1 -2,-0.5 -11,-1.2 -0.876 30.5-177.6 -97.4 108.8 63.1 25.7 24.8 83 223 A L E -CD 33 69A 25 -50,-3.3 -50,-3.1 -2,-0.8 -14,-0.2 -0.783 32.3-104.4-112.3 148.9 63.6 25.9 21.0 84 224 A E - 0 0 35 -16,-2.6 2,-0.5 -2,-0.3 -52,-0.2 -0.436 38.8-127.5 -56.9 136.3 64.9 28.4 18.4 85 225 A Y - 0 0 64 -54,-0.4 -1,-0.1 -2,-0.1 -54,-0.1 -0.849 12.6-149.1 -91.0 128.5 62.0 29.9 16.5 86 226 A A > - 0 0 9 -2,-0.5 3,-1.1 1,-0.1 51,-0.2 -0.866 10.3-166.4 -98.5 105.6 62.4 29.6 12.7 87 227 A P T 3 S+ 0 0 57 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.699 76.3 58.7 -71.3 -22.2 60.6 32.7 11.3 88 228 A L T 3 S- 0 0 87 49,-2.1 50,-0.1 1,-0.3 6,-0.1 0.312 98.4-131.1 -95.8 8.8 60.4 31.8 7.6 89 229 A G < - 0 0 16 -3,-1.1 48,-2.1 48,-0.4 -1,-0.3 -0.267 44.2 -29.8 80.0-164.1 58.4 28.6 8.0 90 230 A T B > -F 136 0B 27 46,-0.2 4,-1.7 1,-0.1 46,-0.3 -0.543 44.9-123.8 -90.6 156.5 59.1 25.1 6.5 91 231 A V H > S+ 0 0 0 44,-2.8 4,-2.5 41,-0.7 5,-0.2 0.841 114.4 62.1 -61.5 -34.6 60.8 24.2 3.2 92 232 A Y H > S+ 0 0 87 40,-1.4 4,-2.4 43,-0.4 -1,-0.2 0.944 102.9 48.0 -53.5 -51.9 57.6 22.4 2.4 93 233 A R H > S+ 0 0 162 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 112.2 49.7 -57.3 -42.4 55.6 25.7 2.6 94 234 A E H X S+ 0 0 25 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.887 110.5 49.2 -66.2 -39.9 58.2 27.4 0.3 95 235 A L H X S+ 0 0 10 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.881 109.3 52.8 -66.7 -38.4 58.0 24.5 -2.2 96 236 A Q H < S+ 0 0 124 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.898 112.7 46.4 -59.2 -43.0 54.2 24.7 -2.2 97 237 A K H < S+ 0 0 156 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.941 123.6 30.1 -65.5 -51.1 54.6 28.5 -2.9 98 238 A L H < S- 0 0 75 -4,-2.6 2,-1.6 1,-0.1 -2,-0.2 0.590 90.3-141.4 -89.1 -13.2 57.2 28.3 -5.7 99 239 A S S < S+ 0 0 85 -4,-2.2 2,-0.3 -5,-0.2 -1,-0.1 -0.297 80.2 8.7 75.8 -49.0 56.2 24.8 -7.1 100 240 A R S S- 0 0 123 -2,-1.6 2,-0.3 -6,-0.1 88,-0.2 -0.977 78.7-116.6-153.0 160.4 59.9 24.1 -7.7 101 241 A F - 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0 0 90 -2,-1.6 4,-2.3 -46,-0.1 5,-0.2 -0.205 56.1 -78.0 -88.9-172.1 72.6 6.4 9.8 173 321 A E H > S+ 0 0 79 1,-0.2 4,-1.5 2,-0.2 -52,-0.0 0.903 130.0 48.2 -55.7 -45.9 75.1 8.0 7.3 174 322 A K H > S+ 0 0 75 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.887 110.9 50.1 -65.2 -41.6 74.1 5.6 4.4 175 323 A V H > S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.934 108.3 54.7 -57.8 -47.2 70.4 6.1 4.9 176 324 A D H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.792 99.4 61.0 -59.1 -34.9 70.9 9.9 4.9 177 325 A L H X S+ 0 0 1 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.918 106.7 45.5 -58.7 -47.3 72.7 9.7 1.5 178 326 A W H X S+ 0 0 39 -4,-1.2 4,-2.3 -3,-0.4 -2,-0.2 0.922 110.8 53.6 -59.6 -47.0 69.5 8.3 -0.1 179 327 A S H X S+ 0 0 16 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.900 106.6 52.9 -56.0 -42.2 67.4 10.9 1.7 180 328 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.859 108.4 49.8 -62.6 -40.2 69.6 13.7 0.3 181 329 A G H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.906 111.5 48.4 -61.8 -46.1 69.1 12.3 -3.3 182 330 A V H X S+ 0 0 24 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.929 113.4 48.0 -59.4 -46.6 65.3 12.2 -2.8 183 331 A L H X S+ 0 0 3 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.888 108.4 53.2 -64.5 -42.1 65.4 15.8 -1.4 184 332 A C H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.935 112.2 46.1 -57.9 -47.3 67.6 17.1 -4.3 185 333 A Y H X S+ 0 0 10 -4,-2.1 4,-2.7 1,-0.2 5,-0.4 0.934 112.9 48.9 -58.7 -51.2 65.1 15.7 -6.8 186 334 A E H X S+ 0 0 27 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.879 108.7 53.7 -60.6 -40.2 62.0 17.0 -4.9 187 335 A F H < S+ 0 0 0 -4,-2.7 -86,-3.3 1,-0.2 -1,-0.2 0.912 117.1 37.4 -58.6 -42.9 63.6 20.5 -4.7 188 336 A L H < S+ 0 0 11 -4,-1.8 -2,-0.2 -88,-0.2 -1,-0.2 0.846 129.7 28.9 -80.3 -34.7 64.1 20.7 -8.5 189 337 A V H < S- 0 0 20 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.819 99.5-119.0-100.0 -38.2 61.0 18.9 -9.7 190 338 A G S < S+ 0 0 28 -4,-2.1 -4,-0.2 -5,-0.4 -3,-0.1 0.301 87.4 56.0 111.4 -5.0 58.4 19.7 -7.0 191 339 A M S S- 0 0 94 -6,-0.3 -2,-0.2 -8,-0.0 -1,-0.2 -0.986 92.4 -94.4-150.7 150.6 57.6 16.1 -5.8 192 340 A P > - 0 0 32 0, 0.0 3,-1.4 0, 0.0 -9,-0.1 -0.376 42.1-113.1 -69.1 153.6 59.8 13.2 -4.5 193 341 A P T 3 S+ 0 0 13 0, 0.0 19,-0.3 0, 0.0 -11,-0.0 0.705 109.8 41.7 -63.3 -24.8 60.9 10.8 -7.3 194 342 A F T 3 S+ 0 0 8 17,-0.1 11,-0.2 2,-0.1 12,-0.2 0.283 79.0 141.1-108.4 10.5 58.9 7.7 -6.2 195 343 A E < + 0 0 109 -3,-1.4 2,-0.3 10,-0.1 4,-0.1 -0.267 20.1 160.7 -61.3 131.7 55.6 9.3 -5.3 196 344 A A - 0 0 22 2,-0.1 6,-0.1 1,-0.1 -2,-0.1 -0.939 51.2-106.1-146.9 165.2 52.5 7.4 -6.3 197 345 A H S S+ 0 0 194 -2,-0.3 2,-0.3 4,-0.0 -1,-0.1 0.865 102.2 46.0 -64.6 -36.9 48.8 7.3 -5.3 198 346 A T S > S- 0 0 61 1,-0.1 4,-1.9 -3,-0.0 5,-0.2 -0.776 78.6-128.2-109.2 153.3 49.1 4.1 -3.4 199 347 A Y H > S+ 0 0 162 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.906 110.2 56.9 -60.8 -39.1 51.7 2.9 -0.8 200 348 A Q H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 107.5 46.3 -60.4 -43.9 52.2 -0.3 -2.8 201 349 A E H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 112.4 50.0 -69.0 -37.9 53.1 1.5 -6.0 202 350 A T H X S+ 0 0 37 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.932 110.1 51.8 -63.1 -46.3 55.5 3.9 -4.1 203 351 A Y H X S+ 0 0 122 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.934 109.8 49.6 -50.2 -53.6 57.1 0.7 -2.5 204 352 A R H X S+ 0 0 93 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.906 110.1 49.8 -53.3 -49.2 57.5 -0.8 -5.9 205 353 A R H X>S+ 0 0 80 -4,-2.1 5,-2.7 -11,-0.2 4,-0.6 0.897 111.2 48.7 -64.3 -41.3 59.2 2.3 -7.4 206 354 A I H ><5S+ 0 0 72 -4,-2.4 3,-1.2 3,-0.2 -1,-0.2 0.960 112.7 47.2 -60.9 -51.7 61.7 2.6 -4.5 207 355 A S H 3<5S+ 0 0 81 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.868 117.2 42.9 -61.1 -37.6 62.7 -1.0 -4.6 208 356 A R H 3<5S- 0 0 182 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.544 103.9-131.7 -79.9 -8.2 63.1 -0.8 -8.4 209 357 A V T <<5 + 0 0 34 -3,-1.2 2,-0.7 -4,-0.6 -3,-0.2 0.932 49.5 168.0 47.0 50.8 64.9 2.6 -8.1 210 358 A E < + 0 0 71 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.829 7.3 124.1-104.6 111.1 62.4 3.6 -10.8 211 359 A F - 0 0 46 -2,-0.7 2,-0.3 -3,-0.1 -17,-0.1 -0.972 41.1-136.1-156.5 166.4 62.1 7.3 -11.6 212 360 A T - 0 0 114 -2,-0.3 -2,-0.0 -19,-0.3 0, 0.0 -0.959 13.4-131.7-131.5 147.6 62.3 9.7 -14.5 213 361 A F - 0 0 41 -2,-0.3 2,-0.0 4,-0.1 -2,-0.0 -0.841 23.3-126.0 -94.2 130.4 63.8 13.2 -14.9 214 362 A P > - 0 0 35 0, 0.0 3,-1.7 0, 0.0 -1,-0.0 -0.356 32.5-106.4 -62.7 158.3 61.8 16.0 -16.4 215 363 A D T 3 S+ 0 0 158 1,-0.3 -2,-0.0 -2,-0.0 0, 0.0 0.819 115.4 64.5 -59.1 -34.3 63.6 17.7 -19.4 216 364 A F T 3 S+ 0 0 93 2,-0.1 2,-0.6 -27,-0.0 -1,-0.3 0.527 76.9 101.4 -70.3 -7.4 64.4 20.9 -17.4 217 365 A V S < S- 0 0 7 -3,-1.7 -4,-0.1 4,-0.0 -28,-0.0 -0.733 73.8-133.0 -83.0 119.3 66.7 18.9 -15.0 218 366 A T > - 0 0 55 -2,-0.6 4,-2.4 1,-0.1 5,-0.2 -0.176 17.6-106.1 -74.4 161.9 70.3 19.6 -16.2 219 367 A E H > S+ 0 0 173 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.838 118.5 51.4 -51.9 -43.1 73.1 17.0 -16.7 220 368 A G H > S+ 0 0 23 2,-0.2 4,-1.9 1,-0.2 27,-0.2 0.892 111.1 46.4 -66.7 -42.7 74.9 18.1 -13.5 221 369 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.882 111.7 52.6 -66.3 -39.7 71.8 17.7 -11.3 222 370 A R H X S+ 0 0 84 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.897 108.2 51.0 -61.0 -42.2 71.0 14.3 -12.9 223 371 A D H X S+ 0 0 61 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.915 112.5 46.1 -61.7 -46.1 74.6 13.1 -12.2 224 372 A L H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.961 115.7 44.5 -59.0 -57.6 74.3 14.1 -8.5 225 373 A I H >X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-0.8 0.909 113.6 49.9 -57.5 -47.2 70.8 12.6 -8.0 226 374 A S H 3< S+ 0 0 48 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.825 109.0 52.5 -63.0 -33.5 71.7 9.4 -9.8 227 375 A R H 3< S+ 0 0 123 -4,-1.7 10,-2.0 -5,-0.2 -1,-0.2 0.668 113.6 43.7 -78.8 -16.7 74.9 8.9 -7.8 228 376 A L H << S+ 0 0 0 -4,-1.0 2,-1.7 -3,-0.8 -2,-0.2 0.804 102.1 67.1 -90.0 -40.6 72.9 9.3 -4.5 229 377 A L < + 0 0 6 -4,-2.4 2,-0.5 -5,-0.2 -1,-0.2 -0.430 69.2 147.2 -85.2 63.5 69.9 7.1 -5.4 230 378 A K - 0 0 66 -2,-1.7 6,-0.2 -3,-0.2 -21,-0.1 -0.859 48.9-143.5-101.6 130.4 71.9 3.8 -5.5 231 379 A H S S+ 0 0 133 -2,-0.5 2,-0.7 1,-0.1 -1,-0.1 0.904 92.8 69.4 -56.0 -42.8 70.0 0.6 -4.5 232 380 A N S > S- 0 0 75 1,-0.2 3,-1.8 -3,-0.1 4,-0.5 -0.720 78.6-151.7 -81.5 110.5 73.3 -0.6 -2.9 233 381 A A G > S+ 0 0 37 -2,-0.7 3,-1.4 1,-0.3 -1,-0.2 0.849 92.3 57.7 -52.2 -43.3 74.0 1.6 0.1 234 382 A S G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.680 101.4 58.6 -63.9 -18.3 77.8 1.2 -0.1 235 383 A Q G < S+ 0 0 116 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.589 80.3 113.5 -86.9 -14.0 77.8 2.7 -3.6 236 384 A R S < S- 0 0 34 -3,-1.4 -8,-0.2 -4,-0.5 2,-0.1 -0.316 78.7-100.7 -66.6 140.7 76.1 6.0 -2.7 237 385 A L - 0 0 24 -10,-2.0 -1,-0.1 -13,-0.2 -2,-0.1 -0.377 43.6-121.8 -57.0 129.2 78.1 9.2 -3.0 238 386 A T > - 0 0 56 -2,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.250 19.5-108.5 -73.0 162.4 79.4 10.3 0.4 239 387 A L H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.886 121.7 52.7 -57.9 -42.0 78.6 13.7 2.1 240 388 A A H > S+ 0 0 73 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.894 109.7 48.9 -57.7 -42.4 82.1 14.9 1.5 241 389 A E H 4 S+ 0 0 99 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.806 106.6 56.1 -71.0 -31.7 81.8 14.0 -2.2 242 390 A V H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 6,-0.2 0.925 104.9 52.5 -61.7 -45.3 78.4 15.8 -2.4 243 391 A L H 3< S+ 0 0 51 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.742 114.4 42.7 -65.5 -22.8 80.1 19.0 -1.2 244 392 A E T 3< S+ 0 0 134 -4,-0.8 -1,-0.3 -5,-0.1 -2,-0.2 0.388 83.1 125.9-103.4 0.1 82.8 18.7 -3.9 245 393 A H <> - 0 0 13 -3,-1.1 4,-2.6 -4,-0.5 3,-0.2 -0.369 67.1-126.2 -60.9 137.6 80.4 17.7 -6.8 246 394 A P H > S+ 0 0 94 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.835 109.4 51.4 -54.9 -38.7 80.8 20.0 -9.8 247 395 A W H > S+ 0 0 11 -27,-0.2 4,-1.1 2,-0.2 5,-0.2 0.892 111.3 47.3 -68.3 -40.7 77.1 20.9 -9.9 248 396 A I H > S+ 0 0 4 -6,-0.2 4,-2.5 -3,-0.2 3,-0.5 0.935 113.5 48.2 -63.0 -48.4 77.1 21.8 -6.2 249 397 A K H < S+ 0 0 139 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.875 112.8 48.7 -58.3 -41.0 80.3 23.9 -6.6 250 398 A A H < S+ 0 0 79 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.728 124.4 26.5 -72.2 -23.9 78.9 25.7 -9.7 251 399 A N H < S+ 0 0 42 -4,-1.1 -143,-0.3 -3,-0.5 -2,-0.2 0.654 87.2 106.0-120.5 -23.2 75.5 26.6 -8.1 252 400 A S < 0 0 39 -4,-2.5 -147,-0.1 -145,-0.2 -148,-0.1 -0.450 360.0 360.0 -70.7 133.1 75.7 26.9 -4.3 253 401 A S 0 0 113 -149,-0.4 -1,-0.1 -2,-0.2 -148,-0.1 0.754 360.0 360.0 -64.0 360.0 75.6 30.4 -2.8