==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-DEC-02 1NE6 . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE TYPE I-ALPHA . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.WU,J.M.JONES,N.H.XUONG,S.S.TAYLOR . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 25.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 1 2 2 0 0 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 4 0 2 3 3 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 4 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 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 1 109 A A 0 0 164 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.5 31.5 65.1 63.9 2 110 A S - 0 0 112 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.892 360.0-176.3-139.6 168.6 33.9 65.7 66.8 3 111 A Y - 0 0 125 -2,-0.3 2,-0.1 0, 0.0 0, 0.0 -0.841 1.5-180.0-167.1 129.2 33.9 67.0 70.3 4 112 A V + 0 0 73 -2,-0.2 2,-0.2 1,-0.1 34,-0.0 -0.450 46.0 70.4-139.5 68.6 36.8 67.5 72.7 5 113 A R + 0 0 92 -2,-0.1 2,-0.4 36,-0.0 -1,-0.1 -0.646 28.8 170.2 176.6 125.2 36.0 69.0 76.2 6 114 A K - 0 0 93 -2,-0.2 2,-0.4 32,-0.2 37,-0.1 -0.998 26.6-154.8-134.0 132.9 34.4 68.2 79.5 7 115 A V - 0 0 82 -2,-0.4 35,-0.1 35,-0.1 34,-0.1 -0.902 19.7-178.9-122.3 142.8 34.9 70.7 82.4 8 116 A I - 0 0 41 33,-0.5 35,-0.0 -2,-0.4 -2,-0.0 -0.847 22.9-142.3-140.3 103.2 34.9 70.6 86.2 9 117 A P - 0 0 112 0, 0.0 -1,-0.2 0, 0.0 6,-0.0 0.708 27.1-178.2 -20.7 -79.8 35.5 73.8 88.2 10 118 A K - 0 0 28 4,-0.1 -2,-0.0 35,-0.0 34,-0.0 0.832 25.6-116.0 66.2 116.4 37.6 72.8 91.2 11 119 A D > - 0 0 100 1,-0.1 4,-0.8 4,-0.0 5,-0.0 0.468 41.4 -88.3 -54.9-149.6 38.7 75.3 93.9 12 120 A Y H > S+ 0 0 179 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.817 123.8 52.9 -97.8 -39.5 42.4 76.1 94.5 13 121 A K H > S+ 0 0 161 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.880 114.4 45.8 -61.9 -37.8 43.2 73.3 97.0 14 122 A T H > S+ 0 0 32 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.966 112.9 46.1 -68.3 -58.2 41.8 70.8 94.5 15 123 A M H X S+ 0 0 61 -4,-0.8 4,-1.3 1,-0.2 -2,-0.2 0.799 114.9 50.2 -56.9 -32.2 43.5 72.1 91.4 16 124 A A H X S+ 0 0 38 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.937 111.5 46.6 -72.9 -47.1 46.7 72.3 93.3 17 125 A A H X S+ 0 0 25 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.932 110.6 52.6 -59.7 -47.5 46.5 68.8 94.6 18 126 A L H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.877 108.6 53.0 -57.2 -34.9 45.6 67.5 91.2 19 127 A A H X S+ 0 0 31 -4,-1.3 4,-3.2 -5,-0.3 -1,-0.2 0.943 106.8 49.9 -64.5 -48.7 48.7 69.3 89.9 20 128 A K H X S+ 0 0 164 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.854 113.4 46.9 -59.0 -37.6 50.9 67.6 92.5 21 129 A A H X S+ 0 0 10 -4,-2.2 4,-0.6 2,-0.2 3,-0.2 0.922 115.3 44.2 -71.1 -45.6 49.5 64.2 91.5 22 130 A I H >< S+ 0 0 6 -4,-2.4 3,-1.1 -5,-0.2 6,-0.3 0.884 105.5 67.5 -63.4 -38.9 49.9 64.8 87.8 23 131 A E H 3< S+ 0 0 149 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.872 106.8 35.7 -46.4 -51.0 53.3 66.2 88.5 24 132 A K H 3< S+ 0 0 108 -4,-1.2 2,-0.7 -3,-0.2 -1,-0.3 0.474 94.4 99.9 -89.7 -1.9 54.8 62.9 89.5 25 133 A N X< - 0 0 16 -3,-1.1 3,-1.7 -4,-0.6 135,-0.1 -0.763 56.9-158.3 -94.2 116.5 52.9 60.7 87.1 26 134 A V G >> S+ 0 0 20 -2,-0.7 3,-2.1 1,-0.3 4,-0.5 0.770 88.9 71.7 -59.3 -27.8 55.0 59.7 84.1 27 135 A L G 34 S+ 0 0 9 1,-0.3 4,-0.3 2,-0.2 3,-0.3 0.811 100.3 46.6 -58.5 -29.9 51.7 59.0 82.2 28 136 A F G <4 S+ 0 0 9 -3,-1.7 -1,-0.3 -6,-0.3 -2,-0.2 0.151 89.3 88.4 -98.6 17.7 51.1 62.7 82.1 29 137 A S T <4 S+ 0 0 74 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.817 85.0 51.4 -83.2 -33.4 54.7 63.5 81.0 30 138 A H S < S+ 0 0 91 -4,-0.5 -2,-0.1 -3,-0.3 -1,-0.1 0.915 86.7 109.0 -68.3 -45.2 54.0 63.2 77.2 31 139 A L - 0 0 25 -4,-0.3 2,-0.2 4,-0.1 -3,-0.0 0.159 60.8-140.0 -35.2 143.0 51.0 65.6 77.4 32 140 A D >> - 0 0 74 1,-0.0 4,-3.0 0, 0.0 3,-0.6 -0.662 37.2 -86.3-105.4 163.9 51.3 69.0 75.8 33 141 A D H 3> S+ 0 0 138 1,-0.3 4,-1.4 -2,-0.2 -2,-0.1 0.770 130.0 47.5 -37.9 -38.5 49.9 72.3 77.1 34 142 A N H 3> S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.912 112.7 45.3 -74.4 -45.2 46.6 71.6 75.5 35 143 A E H <> S+ 0 0 63 -3,-0.6 4,-2.8 1,-0.2 5,-0.2 0.860 110.4 56.6 -66.6 -34.0 46.2 68.0 76.6 36 144 A R H X S+ 0 0 97 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.913 105.9 51.3 -63.0 -41.7 47.2 69.2 80.1 37 145 A S H X S+ 0 0 53 -4,-1.4 4,-2.5 -5,-0.3 -2,-0.2 0.968 113.0 43.4 -57.8 -57.1 44.3 71.7 80.0 38 146 A D H X S+ 0 0 25 -4,-2.1 4,-3.9 2,-0.2 5,-0.3 0.907 115.1 49.1 -55.5 -49.0 41.8 69.0 79.1 39 147 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.955 111.2 49.2 -57.8 -52.8 43.1 66.5 81.6 40 148 A F H < S+ 0 0 25 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.906 118.4 41.3 -56.0 -40.7 43.1 69.0 84.4 41 149 A D H < S+ 0 0 31 -4,-2.5 -33,-0.5 -5,-0.2 -2,-0.2 0.933 114.9 47.5 -75.2 -42.6 39.6 70.0 83.5 42 150 A A H < S+ 0 0 3 -4,-3.9 75,-0.3 -5,-0.2 -2,-0.2 0.798 95.7 91.2 -68.5 -28.6 38.1 66.5 82.8 43 151 A M < - 0 0 3 -4,-2.4 73,-0.2 -5,-0.3 -35,-0.1 -0.252 56.5-177.5 -65.4 155.0 39.6 65.1 86.0 44 152 A F E -A 115 0A 39 71,-1.6 71,-2.8 2,-0.0 2,-0.2 -0.980 25.8-111.4-156.7 145.4 37.5 65.1 89.2 45 153 A P E +A 114 0A 54 0, 0.0 2,-0.3 0, 0.0 69,-0.2 -0.543 33.6 174.9 -80.3 140.7 38.0 64.2 92.9 46 154 A V E -A 113 0A 37 67,-2.1 67,-3.6 -2,-0.2 2,-0.4 -0.987 13.5-154.4-147.6 135.1 36.1 61.2 94.4 47 155 A S E -A 112 0A 88 -2,-0.3 2,-0.3 65,-0.2 65,-0.2 -0.897 10.8-179.7-117.0 142.6 36.4 59.7 97.8 48 156 A F E -A 111 0A 32 63,-2.5 63,-2.7 -2,-0.4 2,-0.3 -0.954 18.9-132.8-133.7 153.0 35.6 56.2 98.9 49 157 A I > - 0 0 100 -2,-0.3 3,-2.9 61,-0.2 58,-0.3 -0.765 44.7 -62.6-111.4 155.9 35.9 54.6 102.3 50 158 A A T 3 S+ 0 0 51 -2,-0.3 58,-0.2 1,-0.3 -1,-0.1 0.048 123.6 15.1 -33.9 123.3 37.3 51.3 103.6 51 159 A G T 3 S+ 0 0 54 56,-1.7 -1,-0.3 1,-0.3 57,-0.1 0.236 94.0 134.8 92.0 -12.3 35.5 48.4 102.0 52 160 A E < - 0 0 81 -3,-2.9 55,-2.8 57,-0.1 2,-0.5 -0.341 51.5-127.6 -73.9 152.0 33.7 50.4 99.3 53 161 A T E +D 106 0B 56 53,-0.2 53,-0.2 1,-0.1 3,-0.1 -0.868 28.9 169.6-104.6 125.3 33.5 49.3 95.7 54 162 A V E S+ 0 0 18 51,-2.6 2,-0.4 -2,-0.5 52,-0.2 0.771 76.5 25.7 -99.7 -36.1 34.6 51.6 92.8 55 163 A I E -D 105 0B 8 50,-1.8 50,-2.2 7,-0.0 2,-0.4 -0.993 69.9-156.5-133.0 126.3 34.5 49.1 90.0 56 164 A Q > - 0 0 92 -2,-0.4 3,-1.8 48,-0.2 45,-0.2 -0.864 29.9-109.5-102.4 133.8 32.3 46.0 89.9 57 165 A Q T 3 S+ 0 0 58 -2,-0.4 45,-0.2 1,-0.2 47,-0.1 -0.288 104.8 24.1 -59.2 143.8 33.4 43.1 87.7 58 166 A G T 3 S+ 0 0 53 43,-3.1 -1,-0.2 1,-0.3 44,-0.1 0.058 95.8 123.9 89.4 -26.8 31.1 42.7 84.7 59 167 A D S < S- 0 0 88 -3,-1.8 42,-2.8 41,-0.2 2,-0.3 -0.015 71.5 -98.1 -59.4 169.3 30.0 46.3 84.8 60 168 A E - 0 0 150 40,-0.2 2,-0.3 -3,-0.1 -4,-0.2 -0.673 45.9-103.5 -88.0 147.0 30.4 48.7 81.9 61 169 A G + 0 0 11 38,-0.3 3,-0.1 -2,-0.3 57,-0.1 -0.561 52.5 153.4 -75.7 134.2 33.5 50.8 82.0 62 170 A D + 0 0 77 1,-0.3 56,-2.2 -2,-0.3 2,-0.3 0.679 55.8 24.1-124.0 -50.1 32.9 54.5 83.0 63 171 A N E -B 117 0A 27 54,-0.2 -1,-0.3 55,-0.1 2,-0.3 -0.944 52.8-145.3-130.2 149.1 36.0 56.0 84.7 64 172 A F E -B 116 0A 4 52,-2.4 52,-1.6 -2,-0.3 2,-0.4 -0.761 29.7-152.9 -98.8 148.7 39.8 55.6 84.8 65 173 A Y E -BC 115 90A 8 25,-2.8 25,-2.1 -2,-0.3 2,-0.5 -0.985 18.6-161.6-134.7 139.8 41.3 56.4 88.2 66 174 A V E -BC 114 89A 5 48,-2.4 48,-2.0 -2,-0.4 2,-0.8 -0.938 30.7-124.6-111.5 135.1 44.6 57.6 89.6 67 175 A I E +B 113 0A 2 21,-3.4 20,-3.0 -2,-0.5 46,-0.2 -0.729 33.4 170.8 -86.7 114.2 45.2 57.0 93.3 68 176 A D E S- 0 0 18 44,-1.6 2,-0.3 -2,-0.8 -1,-0.2 0.889 73.5 -2.6 -84.2 -46.0 46.0 60.2 95.1 69 177 A Q E S+B 112 0A 102 43,-1.8 43,-2.4 17,-0.1 -1,-0.4 -0.992 106.8 33.3-148.6 137.7 45.8 58.8 98.6 70 178 A G S S- 0 0 19 -2,-0.3 2,-0.4 41,-0.2 16,-0.3 -0.609 72.6 -82.6 116.3-176.4 44.9 55.3 99.9 71 179 A E - 0 0 70 -2,-0.2 37,-3.1 14,-0.2 38,-1.3 -0.991 32.0-159.5-139.8 127.7 45.2 51.7 98.9 72 180 A M E -EF 84 107B 0 12,-3.2 12,-1.0 -2,-0.4 2,-0.4 -0.614 7.2-144.8-103.5 164.5 43.0 49.6 96.6 73 181 A D E -EF 83 106B 9 33,-2.7 33,-2.4 10,-0.2 2,-0.5 -0.969 10.5-150.6-126.2 142.5 42.4 45.9 96.3 74 182 A V E -EF 82 105B 20 8,-2.5 7,-3.9 -2,-0.4 8,-0.7 -0.969 12.2-172.3-120.6 122.5 41.8 44.1 93.0 75 183 A Y E -EF 80 104B 58 29,-2.8 29,-2.7 -2,-0.5 2,-0.5 -0.927 11.1-165.1-117.5 139.4 39.7 40.9 92.8 76 184 A V E > S-E 79 0B 57 3,-3.4 3,-1.5 -2,-0.4 27,-0.1 -0.953 86.6 -17.5-121.0 106.6 39.2 38.7 89.7 77 185 A N T 3 S- 0 0 104 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.911 127.2 -57.5 64.0 38.9 36.3 36.3 90.2 78 186 A N T 3 S+ 0 0 157 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.363 114.9 121.6 72.0 -7.3 36.6 37.0 94.0 79 187 A E E < S-E 76 0B 145 -3,-1.5 -3,-3.4 1,-0.0 -1,-0.2 -0.796 70.5-121.0 -87.1 121.3 40.2 35.8 93.8 80 188 A W E +E 75 0B 124 -2,-0.6 -5,-0.3 -5,-0.3 3,-0.1 -0.399 36.2 174.8 -62.5 137.7 42.4 38.7 95.0 81 189 A A E - 0 0 34 -7,-3.9 2,-0.3 1,-0.4 -6,-0.2 0.802 50.7 -27.6-109.7 -64.0 44.9 39.7 92.4 82 190 A T E -E 74 0B 15 -8,-0.7 -8,-2.5 2,-0.0 -1,-0.4 -0.823 49.8-119.9-144.5-177.1 46.9 42.7 93.3 83 191 A S E -E 73 0B 34 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.993 19.6-151.8-131.5 135.4 46.8 45.8 95.4 84 192 A V E -E 72 0B 9 -12,-1.0 -12,-3.2 -2,-0.4 3,-0.1 -0.953 18.9-168.6-113.4 123.6 47.2 49.3 93.9 85 193 A G > - 0 0 10 -2,-0.5 3,-2.3 -14,-0.2 -18,-0.3 -0.197 39.5 -45.4 -99.5-169.3 48.7 52.0 96.1 86 194 A E T 3 S+ 0 0 101 -16,-0.3 -18,-0.2 1,-0.3 -1,-0.2 -0.367 127.3 24.6 -59.5 125.2 49.2 55.8 96.1 87 195 A G T 3 S+ 0 0 8 -20,-3.0 -1,-0.3 1,-0.4 -19,-0.1 0.101 100.0 110.1 106.0 -21.5 50.4 56.9 92.7 88 196 A G < - 0 0 5 -3,-2.3 -21,-3.4 -22,-0.1 -1,-0.4 -0.163 51.3-154.7 -78.2 178.8 48.9 53.9 90.9 89 197 A S E +C 66 0A 9 -23,-0.3 2,-0.3 -3,-0.1 -23,-0.2 -0.939 14.4 169.9-149.5 165.5 46.0 54.0 88.5 90 198 A F E +C 65 0A 5 -25,-2.1 -25,-2.8 -2,-0.3 15,-0.0 -0.974 44.9 73.1-170.4 169.3 43.4 51.5 87.3 91 199 A G + 0 0 12 -2,-0.3 4,-0.5 -27,-0.2 -1,-0.1 0.676 65.8 115.8 86.2 21.3 40.2 51.1 85.3 92 200 A E > + 0 0 3 2,-0.1 4,-2.4 1,-0.1 5,-0.2 0.783 57.0 67.4 -92.1 -30.9 41.8 51.6 82.0 93 201 A L H > S+ 0 0 59 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.920 99.4 49.3 -59.3 -46.3 41.3 48.2 80.3 94 202 A A H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 113.7 47.2 -60.3 -40.8 37.5 48.4 79.9 95 203 A L H 4 S+ 0 0 3 -4,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.891 116.3 43.4 -67.8 -41.4 37.8 51.9 78.4 96 204 A I H < S+ 0 0 14 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.945 126.6 28.7 -70.4 -50.2 40.5 51.0 75.9 97 205 A Y H < S- 0 0 149 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.643 94.8-129.3 -88.8 -17.0 39.1 47.6 74.8 98 206 A G < + 0 0 52 -4,-2.0 -37,-0.2 -5,-0.4 -4,-0.1 0.231 64.2 134.9 86.6 -16.5 35.4 48.2 75.2 99 207 A T - 0 0 70 -6,-0.4 -38,-0.3 1,-0.1 -1,-0.3 -0.107 64.4 -96.2 -60.4 162.9 35.2 44.9 77.2 100 208 A P - 0 0 71 0, 0.0 -40,-0.2 0, 0.0 -41,-0.2 -0.446 61.8 -66.4 -79.4 161.3 33.3 44.9 80.4 101 209 A R - 0 0 11 -42,-2.8 -43,-3.1 -45,-0.2 -42,-0.1 -0.233 44.9-160.7 -49.1 121.3 35.1 45.3 83.7 102 210 A A + 0 0 66 -45,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.386 69.7 20.7 -87.5 1.9 37.4 42.3 84.1 103 211 A A S S- 0 0 19 -47,-0.1 2,-0.5 -27,-0.1 -27,-0.2 -0.970 74.7-112.5-158.3 171.6 37.8 42.8 87.8 104 212 A T E - F 0 75B 16 -29,-2.7 -29,-2.8 -2,-0.3 2,-0.5 -0.952 25.9-159.1-114.0 129.9 36.4 44.4 90.9 105 213 A V E +DF 55 74B 8 -50,-2.2 -51,-2.6 -2,-0.5 -50,-1.8 -0.950 15.1 176.9-113.2 127.5 38.3 47.2 92.5 106 214 A K E -DF 53 73B 70 -33,-2.4 -33,-2.7 -2,-0.5 -53,-0.2 -0.924 33.8-107.3-129.1 153.0 37.6 48.1 96.2 107 215 A A E - F 0 72B 5 -55,-2.8 -56,-1.7 -2,-0.3 -35,-0.2 -0.563 23.7-173.1 -76.8 141.0 39.1 50.5 98.6 108 216 A K S S+ 0 0 104 -37,-3.1 2,-0.2 -2,-0.2 -36,-0.2 0.770 77.7 12.9 -98.0 -42.4 41.2 48.8 101.3 109 217 A T S S- 0 0 57 -38,-1.3 2,-0.3 -59,-0.1 -1,-0.2 -0.632 111.1 -65.5-121.9 177.3 41.6 52.0 103.2 110 218 A N - 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H 0 181C 46 -2,-0.3 4,-2.9 -60,-0.2 -60,-0.2 -0.336 41.2 -91.4 -78.0 175.8 62.5 56.8 91.6 242 350 A R H > S+ 0 0 66 -62,-1.2 4,-3.8 1,-0.2 5,-0.3 0.905 124.9 52.9 -59.3 -44.2 61.8 55.2 95.0 243 351 A P H > S+ 0 0 73 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.953 116.1 40.6 -55.6 -47.9 58.1 56.0 95.2 244 352 A R H >>S+ 0 0 19 2,-0.2 4,-3.0 1,-0.2 5,-0.5 0.905 115.8 52.6 -65.3 -40.5 57.6 54.3 91.8 245 353 A F H X5S+ 0 0 6 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.968 110.8 45.2 -58.6 -54.9 60.0 51.6 92.7 246 354 A E H <5S+ 0 0 117 -4,-3.8 -1,-0.2 1,-0.2 -2,-0.2 0.843 118.7 46.5 -60.9 -29.8 58.2 50.8 96.0 247 355 A R H ><5S+ 0 0 66 -4,-1.8 3,-0.7 -5,-0.3 -2,-0.2 0.980 122.8 25.4 -77.5 -59.0 54.9 50.9 94.1 248 356 A V H 3<5S+ 0 0 4 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.760 125.0 46.9 -81.7 -26.0 55.4 48.9 90.9 249 357 A L T >X + 0 0 0 -3,-1.5 4,-3.1 2,-0.1 5,-0.4 0.641 69.1 96.6-117.0 -23.4 59.6 41.9 93.9 253 361 A S H > S+ 0 0 109 -4,-0.3 4,-2.2 2,-0.2 3,-1.1 0.994 113.7 36.7 -58.9 -76.7 61.6 39.6 98.2 255 363 A I H 3> S+ 0 0 52 1,-0.3 4,-2.2 -4,-0.2 -2,-0.2 0.787 117.1 55.9 -49.1 -31.9 63.3 38.1 95.2 256 364 A L H 3< S+ 0 0 0 -4,-3.1 4,-0.4 2,-0.2 -1,-0.3 0.890 107.0 49.0 -68.8 -39.1 65.3 41.3 94.8 257 365 A K H XX S+ 0 0 83 -4,-2.1 3,-1.4 -3,-1.1 4,-0.7 0.928 110.6 50.1 -64.3 -46.7 66.5 41.0 98.3 258 366 A R H >< S+ 0 0 192 -4,-2.2 3,-1.9 1,-0.3 -2,-0.2 0.943 104.2 58.5 -56.4 -50.6 67.6 37.4 97.8 259 367 A N G >< S+ 0 0 40 -4,-2.2 3,-1.0 1,-0.3 4,-0.3 0.619 92.8 70.4 -55.9 -14.0 69.4 38.4 94.6 260 368 A I G X4 S+ 0 0 12 -3,-1.4 3,-1.3 -4,-0.4 -1,-0.3 0.864 90.9 58.0 -72.0 -35.6 71.5 40.7 96.7 261 369 A Q G << S+ 0 0 159 -3,-1.9 -1,-0.3 -4,-0.7 -2,-0.2 0.093 96.2 67.7 -80.8 24.7 73.2 37.8 98.4 262 370 A Q G < S+ 0 0 143 -3,-1.0 -1,-0.2 2,-0.0 -2,-0.2 0.534 78.0 96.0-114.1 -20.4 74.3 36.8 94.8 263 371 A Y < - 0 0 93 -3,-1.3 2,-0.8 -4,-0.3 -3,-0.0 -0.455 69.0-142.3 -72.8 144.5 76.7 39.7 94.3 264 372 A N + 0 0 158 -2,-0.1 2,-0.2 -59,-0.1 -1,-0.1 -0.736 39.0 171.8-107.4 78.8 80.3 39.1 95.0 265 373 A S - 0 0 34 -2,-0.8 -38,-0.1 1,-0.1 -71,-0.0 -0.538 45.5-134.1 -92.6 156.9 81.1 42.5 96.6 266 374 A F S S+ 0 0 64 -2,-0.2 -1,-0.1 2,-0.0 -2,-0.0 0.112 104.3 11.3 -91.3 19.4 84.1 43.8 98.3 267 375 A V 0 0 79 -41,-0.1 -2,-0.0 -70,-0.0 -71,-0.0 0.162 360.0 360.0-153.2 -79.1 81.8 45.2 101.0 268 376 A S 0 0 78 -42,-0.2 -42,-0.1 -4,-0.0 -4,-0.0 0.132 360.0 360.0-178.8 360.0 78.1 44.3 101.2