==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 10-NOV-04 1XYJ . COMPND 2 MOLECULE: PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: FELIS CATUS; . AUTHOR D.A.LYSEK,C.SCHORN,L.G.NIVON,V.ESTEVE-MOYA,B.CHRISTEN, . 111 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8466.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 58.6 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 . 3 2.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.9 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 . 6 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.8 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 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 121 A V 0 0 199 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 38.1 -0.7 -19.7 3.8 2 122 A V + 0 0 99 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.348 360.0 126.0-121.5-169.6 2.6 -18.4 2.2 3 123 A G S S+ 0 0 72 -2,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.065 87.7 45.0 136.9 -17.0 5.5 -19.8 0.1 4 124 A G S S+ 0 0 81 4,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.626 123.4 30.2-130.2 -32.2 5.6 -17.3 -2.8 5 125 A L S > S+ 0 0 31 2,-0.1 3,-2.7 3,-0.1 2,-1.3 0.430 92.3 118.7 -93.8 -6.0 5.3 -13.9 -1.1 6 126 A G T 3 S+ 0 0 50 1,-0.3 3,-0.1 -5,-0.0 -4,-0.0 -0.430 72.7 38.9 -69.6 87.9 7.1 -15.5 1.9 7 127 A G T 3 S+ 0 0 72 -2,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.097 78.2 135.9 150.0 -16.2 10.1 -13.3 2.0 8 128 A Y < - 0 0 45 -3,-2.7 -1,-0.3 36,-0.1 36,-0.2 -0.319 51.2-130.3 -52.1 129.6 8.6 -9.8 1.3 9 129 A M E -A 43 0A 86 34,-1.4 34,-2.6 -3,-0.1 2,-0.3 -0.414 22.0-153.9 -79.2 160.1 10.0 -7.2 3.5 10 130 A L E -A 42 0A 74 32,-0.3 32,-0.3 -2,-0.1 34,-0.0 -0.979 16.5-108.9-138.5 150.3 7.7 -4.9 5.3 11 131 A G - 0 0 4 30,-2.7 3,-0.2 -2,-0.3 30,-0.0 -0.175 29.8-120.8 -66.5 172.2 7.8 -1.4 6.8 12 132 A S S S- 0 0 116 1,-0.4 2,-0.1 28,-0.1 -1,-0.1 0.418 83.9 -23.1-105.3 -4.7 7.8 -0.9 10.7 13 133 A A S S+ 0 0 77 28,-0.1 -1,-0.4 1,-0.0 27,-0.2 -0.318 72.6 142.6 159.3 125.6 4.6 1.2 11.0 14 134 A M + 0 0 35 25,-1.8 2,-0.2 -3,-0.2 -3,-0.1 -0.640 19.8 150.2-172.4 122.4 2.9 3.4 8.5 15 135 A S + 0 0 47 -2,-0.2 24,-0.1 1,-0.2 26,-0.0 -0.845 45.9 23.5-146.2 177.9 -0.9 3.9 8.1 16 136 A R + 0 0 135 -2,-0.2 -1,-0.2 22,-0.2 19,-0.0 0.715 53.7 179.6 24.6 71.7 -3.8 6.2 7.0 17 137 A P - 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.740 27.0-142.1 -72.2 -20.4 -1.8 8.5 4.6 18 138 A L - 0 0 111 1,-0.1 2,-0.1 2,-0.0 -3,-0.0 0.991 16.6-155.4 55.4 89.3 -5.0 10.6 3.8 19 139 A I - 0 0 20 1,-0.1 2,-1.6 2,-0.0 -1,-0.1 -0.467 35.0 -89.0 -79.5 155.8 -5.0 11.6 0.1 20 140 A H - 0 0 170 -2,-0.1 2,-1.4 1,-0.1 -1,-0.1 -0.569 47.3-176.9 -59.2 83.6 -6.8 14.6 -1.5 21 141 A F + 0 0 28 -2,-1.6 2,-2.1 1,-0.1 -1,-0.1 -0.691 2.6 179.6 -87.4 63.7 -10.0 12.6 -2.1 22 142 A G + 0 0 64 -2,-1.4 2,-0.2 5,-0.1 -1,-0.1 -0.285 47.0 98.8 -69.2 47.9 -11.6 15.6 -3.9 23 143 A N - 0 0 83 -2,-2.1 -2,-0.1 1,-0.2 5,-0.1 -0.734 67.4-143.3-118.0 173.4 -14.7 13.5 -4.5 24 144 A D S > S+ 0 0 121 -2,-0.2 4,-2.4 3,-0.1 3,-0.4 0.774 99.8 23.6 -92.4 -71.8 -18.2 13.1 -2.9 25 145 A Y H > S+ 0 0 139 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.987 126.5 44.0 -66.7 -65.9 -18.7 9.3 -3.3 26 146 A E H 4 S+ 0 0 69 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.463 119.5 49.5 -63.8 -5.2 -15.2 7.8 -3.6 27 147 A D H >> S+ 0 0 16 -3,-0.4 4,-2.4 3,-0.1 3,-1.3 0.831 114.3 36.7 -88.5 -71.0 -14.3 10.2 -0.7 28 148 A R H 3X S+ 0 0 146 -4,-2.4 4,-2.5 1,-0.3 5,-0.2 0.797 109.0 66.6 -56.5 -36.8 -17.0 9.5 1.9 29 149 A Y H 3< S+ 0 0 61 -4,-2.6 4,-0.3 -5,-0.3 -1,-0.3 0.863 113.6 29.5 -50.0 -47.3 -17.1 5.8 1.1 30 150 A Y H X> S+ 0 0 9 -3,-1.3 3,-1.4 -5,-0.3 4,-0.6 0.876 113.7 64.4 -84.6 -39.1 -13.5 5.3 2.4 31 151 A R H >< S+ 0 0 130 -4,-2.4 3,-0.9 1,-0.3 -2,-0.2 0.863 100.6 50.1 -54.5 -44.2 -13.7 8.1 5.0 32 152 A E T 3< S+ 0 0 138 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 0.718 122.2 34.3 -67.2 -19.2 -16.4 6.3 7.1 33 153 A N T X4 S+ 0 0 46 -3,-1.4 3,-1.5 -4,-0.3 -1,-0.2 0.313 81.8 115.3-108.5 -0.1 -14.4 3.1 7.1 34 154 A M G X< + 0 0 40 -3,-0.9 3,-0.7 -4,-0.6 -18,-0.2 0.523 56.3 77.4 -74.4 -2.0 -10.9 4.4 7.2 35 155 A Y G 3 S+ 0 0 157 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.806 81.1 69.5 -71.4 -30.9 -9.9 3.0 10.7 36 156 A R G < + 0 0 97 -3,-1.5 -1,-0.2 3,-0.0 -2,-0.1 0.091 68.5 138.1 -79.8 24.1 -9.3 -0.6 9.4 37 157 A Y < - 0 0 17 -3,-0.7 -22,-0.0 -2,-0.2 -3,-0.0 -0.379 63.4 -91.3 -77.0 154.8 -6.2 0.2 7.4 38 158 A P - 0 0 42 0, 0.0 -22,-0.2 0, 0.0 -24,-0.1 -0.219 28.8-124.7 -64.5 151.1 -3.2 -2.3 7.5 39 159 A N S S- 0 0 131 -24,-0.1 -25,-1.8 -3,-0.1 2,-0.2 0.814 84.8 -11.2 -63.4 -35.0 -0.6 -1.7 10.2 40 160 A Q S S- 0 0 64 -27,-0.2 2,-0.3 -28,-0.1 -28,-0.1 -0.583 71.9-109.5-146.7-167.9 2.3 -1.6 7.7 41 161 A V - 0 0 2 -2,-0.2 -30,-2.7 52,-0.1 2,-0.2 -0.983 19.1-124.6-142.1 153.0 3.1 -2.3 4.0 42 162 A Y E +A 10 0A 68 -2,-0.3 -32,-0.3 -32,-0.3 2,-0.3 -0.624 35.0 158.2 -89.3 151.0 5.1 -4.9 2.1 43 163 A Y E -A 9 0A 15 -34,-2.6 -34,-1.4 -2,-0.2 16,-0.1 -0.957 44.1-105.7-158.7 162.5 7.9 -4.0 -0.3 44 164 A R - 0 0 116 -2,-0.3 3,-0.1 14,-0.2 -36,-0.1 -0.867 57.5 -91.2 -89.4 136.8 11.0 -5.7 -1.9 45 165 A P - 0 0 80 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.120 45.2-110.0 -53.1 135.6 14.2 -4.2 -0.3 46 166 A V + 0 0 44 -3,-0.0 2,-0.3 1,-0.0 3,-0.1 -0.584 50.5 156.9 -76.0 117.9 15.5 -1.2 -2.2 47 167 A D - 0 0 149 1,-0.6 -1,-0.0 -2,-0.5 55,-0.0 -0.783 60.1 -56.1-145.5 94.4 18.8 -2.0 -4.1 48 168 A Q S S+ 0 0 137 -2,-0.3 -1,-0.6 2,-0.0 0, 0.0 0.187 98.8 82.0 59.0-177.5 19.4 0.2 -7.1 49 169 A Y - 0 0 188 1,-0.2 2,-0.6 -3,-0.1 -2,-0.1 0.951 65.1-149.7 49.3 70.1 17.1 0.9 -10.1 50 170 A S + 0 0 95 -4,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.543 32.2 155.2 -64.2 111.7 14.7 3.5 -8.7 51 171 A N + 0 0 79 -2,-0.6 0, 0.0 4,-0.1 0, 0.0 -0.992 24.6 161.1-132.7 150.9 11.4 3.1 -10.5 52 172 A Q S S+ 0 0 125 -2,-0.3 5,-0.1 46,-0.0 -1,-0.1 0.534 72.7 69.1-122.4 -35.6 7.8 3.9 -9.6 53 173 A N S S+ 0 0 134 1,-0.2 3,-0.1 2,-0.1 4,-0.1 0.677 125.7 9.7 -68.5 -20.5 6.0 3.8 -13.0 54 174 A N S >> S+ 0 0 125 2,-0.1 2,-2.0 3,-0.0 3,-1.0 0.579 121.9 68.1-120.4 -41.2 6.4 0.0 -13.4 55 175 A F T 34 S+ 0 0 31 1,-0.2 -2,-0.1 2,-0.2 -4,-0.1 -0.383 84.6 79.4 -76.5 56.5 7.6 -0.8 -9.9 56 176 A V T >>>S+ 0 0 50 -2,-2.0 4,-3.1 -3,-0.1 3,-1.5 0.460 92.0 44.9-120.3 -49.1 4.2 0.2 -8.6 57 177 A H H <>>S+ 0 0 106 -3,-1.0 4,-1.9 1,-0.3 5,-0.6 0.985 111.2 55.1 -56.9 -52.2 2.5 -3.1 -9.5 58 178 A D H 3<5S+ 0 0 73 -4,-0.9 -1,-0.3 1,-0.2 -14,-0.2 0.231 123.1 26.8 -70.7 15.6 5.5 -5.1 -8.1 59 179 A C H <>5S+ 0 0 9 -3,-1.5 4,-0.5 -2,-0.3 -1,-0.2 0.424 127.8 38.1-142.0 -23.4 5.0 -3.2 -4.7 60 180 A V H X5S+ 0 0 1 -4,-3.1 4,-2.0 -3,-0.3 5,-0.2 0.844 109.5 59.1 -97.0 -43.9 1.3 -2.2 -4.5 61 181 A N H XX S+ 0 0 4 -4,-2.0 4,-2.5 -3,-0.3 3,-1.9 0.861 108.6 56.0 -88.7 -39.8 -3.3 -5.0 -1.9 65 185 A R H 3X S+ 0 0 123 -4,-3.1 4,-2.0 1,-0.3 5,-0.4 0.931 101.1 59.3 -52.3 -48.0 -3.5 -8.8 -2.4 66 186 A Q H 3< S+ 0 0 81 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.1 0.364 115.6 34.4 -69.1 7.3 -2.6 -9.2 1.3 67 187 A H H <4 S+ 0 0 26 -3,-1.9 4,-0.3 -5,-0.1 -2,-0.2 0.554 119.8 44.5-127.2 -33.7 -5.8 -7.2 2.2 68 188 A T H >X S+ 0 0 21 -4,-2.5 4,-2.8 2,-0.2 3,-2.0 0.940 108.7 54.8 -83.9 -44.5 -8.4 -8.2 -0.5 69 189 A V H 3X S+ 0 0 84 -4,-2.0 4,-1.1 1,-0.3 -1,-0.2 0.813 105.7 55.8 -62.3 -25.3 -7.7 -12.0 -0.5 70 190 A T H 34 S+ 0 0 104 -5,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.672 116.2 36.9 -78.3 -13.8 -8.4 -11.8 3.3 71 191 A T H X4 S+ 0 0 35 -3,-2.0 3,-0.8 -4,-0.3 4,-0.3 0.723 106.0 65.1-105.2 -27.9 -11.8 -10.2 2.6 72 192 A T H >X S+ 0 0 48 -4,-2.8 3,-2.2 1,-0.3 4,-1.3 0.925 97.0 56.5 -69.9 -40.6 -12.8 -12.1 -0.5 73 193 A T T 3< S+ 0 0 117 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.787 99.0 64.0 -50.7 -32.4 -13.0 -15.4 1.4 74 194 A K T <4 S- 0 0 180 -3,-0.8 -1,-0.3 -4,-0.1 -2,-0.2 0.542 133.5 -85.4 -78.2 0.4 -15.5 -13.5 3.6 75 195 A G T <4 S+ 0 0 61 -3,-2.2 2,-0.3 1,-0.4 -2,-0.2 0.855 93.3 113.7 94.9 58.3 -17.9 -13.2 0.7 76 196 A E < - 0 0 109 -4,-1.3 -1,-0.4 -5,-0.1 -2,-0.0 -0.948 46.4-164.4-147.8 158.0 -16.7 -10.0 -1.0 77 197 A N - 0 0 151 -2,-0.3 -5,-0.1 -4,-0.0 -9,-0.0 0.288 47.3-112.4-135.1 22.5 -15.0 -9.3 -4.4 78 198 A F - 0 0 12 -10,-0.1 5,-0.1 -7,-0.1 -2,-0.0 0.991 35.7-130.0 39.8 85.7 -13.7 -5.8 -3.8 79 199 A T > - 0 0 93 1,-0.1 4,-2.3 3,-0.1 3,-0.5 -0.111 30.1 -93.3 -58.6 162.7 -15.9 -3.7 -6.1 80 200 A E H > S+ 0 0 133 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.728 123.4 49.8 -63.0 -29.6 -14.0 -1.3 -8.4 81 201 A T H > S+ 0 0 21 2,-0.2 4,-2.6 3,-0.2 5,-0.3 0.937 112.7 47.4 -71.4 -42.6 -14.2 1.8 -6.2 82 202 A D H > S+ 0 0 22 -3,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.937 118.1 43.4 -60.5 -45.1 -12.9 -0.1 -3.1 83 203 A M H X S+ 0 0 52 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.825 113.0 51.8 -64.7 -42.8 -10.1 -1.6 -5.3 84 204 A K H X S+ 0 0 131 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.988 112.6 43.6 -60.8 -60.1 -9.3 1.8 -7.0 85 205 A I H X S+ 0 0 5 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.868 114.5 54.1 -56.2 -39.3 -9.0 3.6 -3.7 86 206 A M H X S+ 0 0 4 -4,-2.1 4,-3.1 -5,-0.3 5,-0.4 0.979 113.8 37.2 -58.7 -62.4 -6.9 0.6 -2.4 87 207 A E H X S+ 0 0 81 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.819 119.6 52.8 -61.4 -28.4 -4.3 0.5 -5.2 88 208 A R H X S+ 0 0 128 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.2 0.872 118.2 33.2 -71.3 -40.9 -4.4 4.3 -5.3 89 209 A V H X S+ 0 0 2 -4,-2.6 4,-1.5 -3,-0.3 5,-0.2 0.862 115.6 54.3 -91.2 -37.2 -3.8 4.8 -1.5 90 210 A V H X S+ 0 0 6 -4,-3.1 4,-2.3 -5,-0.3 5,-0.2 0.829 106.1 59.8 -64.5 -28.5 -1.5 1.7 -1.1 91 211 A E H X S+ 0 0 55 -4,-1.1 4,-2.6 -5,-0.4 5,-0.3 0.988 104.6 44.7 -56.0 -63.4 0.5 3.4 -3.9 92 212 A Q H X S+ 0 0 57 -4,-1.3 4,-0.9 1,-0.3 -2,-0.2 0.714 118.2 44.3 -70.9 -16.9 1.2 6.6 -2.1 93 213 A M H X S+ 0 0 4 -4,-1.5 4,-1.5 2,-0.2 -1,-0.3 0.814 114.2 48.4 -82.0 -35.2 2.2 4.7 1.1 94 214 A C H X S+ 0 0 1 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.816 115.4 45.6 -79.1 -20.0 4.2 2.1 -0.6 95 215 A V H X S+ 0 0 27 -4,-2.6 4,-3.1 -5,-0.2 3,-0.4 0.865 104.0 63.5 -76.9 -40.2 6.0 4.9 -2.6 96 216 A T H X S+ 0 0 45 -4,-0.9 4,-1.2 -5,-0.3 5,-0.2 0.934 104.3 45.5 -58.6 -44.1 6.5 7.0 0.5 97 217 A Q H X S+ 0 0 2 -4,-1.5 4,-1.3 2,-0.2 -1,-0.3 0.803 114.5 50.1 -69.6 -22.2 8.8 4.4 2.1 98 218 A Y H X S+ 0 0 29 -4,-0.6 4,-1.2 -3,-0.4 5,-0.2 0.954 117.0 40.0 -70.2 -47.1 10.6 4.0 -1.2 99 219 A Q H < S+ 0 0 122 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.476 125.3 36.7 -87.9 -4.6 11.1 7.8 -1.5 100 220 A K H < S+ 0 0 133 -4,-1.2 4,-0.2 -5,-0.3 -1,-0.2 0.536 118.1 44.2-120.6 -14.6 11.9 8.3 2.2 101 221 A E H X S+ 0 0 85 -4,-1.3 4,-1.9 -5,-0.2 -3,-0.2 0.621 103.5 63.6-106.2 -15.7 13.9 5.2 3.2 102 222 A S H X S+ 0 0 17 -4,-1.2 4,-1.9 -5,-0.2 3,-0.2 0.969 106.6 42.7 -69.6 -54.2 16.3 5.1 0.2 103 223 A E H >>S+ 0 0 142 1,-0.2 4,-2.3 -5,-0.2 5,-0.5 0.842 110.2 60.4 -60.4 -32.2 17.9 8.5 0.9 104 224 A A H >5S+ 0 0 25 2,-0.2 4,-1.6 3,-0.2 -1,-0.2 0.935 102.8 49.6 -61.3 -46.0 18.0 7.3 4.5 105 225 A Y H <5S+ 0 0 143 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.923 115.1 45.5 -55.7 -44.1 20.2 4.3 3.5 106 226 A Y H <5S+ 0 0 156 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.845 135.8 7.7 -65.7 -37.7 22.5 6.8 1.6 107 227 A Q H <5S+ 0 0 169 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.725 136.8 24.9-126.1 -36.2 22.7 9.4 4.4 108 228 A R S <