==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-APR-11 3RPM . COMPND 2 MOLECULE: BETA-N-ACETYL-HEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR Y.L.JIANG,W.L.YU,J.W.ZHANG . 872 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 628 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 3.7 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 63 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 296 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 3 0 1 2 4 0 1 2 4 4 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 4 2 2 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 PARALLEL BRIDGES PER LADDER . 7 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 0 0 0 0 2 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 1 181 A N > 0 0 149 0, 0.0 4,-1.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -70.2 82.3 -46.3 13.2 2 182 A E T 4 + 0 0 167 2,-0.2 4,-0.3 1,-0.1 362,-0.0 0.764 360.0 52.2 -63.4 -30.2 84.1 -43.6 15.2 3 183 A K T >4 S+ 0 0 78 1,-0.2 3,-1.3 2,-0.2 -1,-0.1 0.913 107.4 49.1 -68.6 -44.6 85.7 -43.1 11.8 4 184 A L T 34 S+ 0 0 22 1,-0.3 -2,-0.2 403,-0.1 -1,-0.2 0.787 102.0 63.5 -65.7 -29.1 82.3 -42.8 10.2 5 185 A A T 3< S+ 0 0 83 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.570 84.3 99.4 -71.9 -11.1 81.1 -40.3 12.9 6 186 A K S < S- 0 0 59 -3,-1.3 2,-0.3 -4,-0.3 325,-0.3 -0.369 82.2-106.4 -70.1 156.0 83.8 -37.8 11.7 7 187 A K E -a 331 0A 38 323,-2.6 325,-2.0 30,-0.1 2,-0.5 -0.627 26.6-163.3 -78.0 142.6 82.8 -34.9 9.4 8 188 A K E -a 332 0A 2 -2,-0.3 29,-3.0 323,-0.2 30,-1.8 -0.981 20.9-177.9-125.8 117.4 83.9 -35.1 5.8 9 189 A I E -ab 333 38A 2 323,-2.4 325,-2.1 -2,-0.5 2,-0.5 -0.902 27.0-155.1-126.5 141.2 83.7 -31.7 4.2 10 190 A V E -ab 334 39A 2 28,-1.7 30,-3.3 -2,-0.4 2,-0.4 -0.967 20.6-149.6-107.2 132.1 84.2 -30.1 0.9 11 191 A S E -ab 335 40A 0 323,-3.1 325,-2.7 -2,-0.5 2,-0.4 -0.886 11.0-169.7-103.9 133.9 85.0 -26.3 1.0 12 192 A I E -ab 336 41A 2 28,-2.8 30,-2.5 -2,-0.4 2,-1.5 -0.989 21.0-137.5-127.5 123.5 84.0 -24.0 -1.9 13 193 A D E > + b 0 42A 2 323,-1.2 4,-0.6 -2,-0.4 30,-0.1 -0.628 40.4 153.3 -80.0 82.9 85.2 -20.4 -2.2 14 194 A A T 4 + 0 0 4 -2,-1.5 35,-0.2 28,-1.3 5,-0.2 -0.053 61.2 73.2-101.5 28.3 81.9 -18.7 -3.3 15 195 A G T 4 S+ 0 0 0 29,-0.1 30,-0.1 33,-0.1 -1,-0.1 0.775 103.5 32.3-100.4 -50.3 83.1 -15.4 -1.8 16 196 A R T 4 S+ 0 0 26 30,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.822 130.3 34.6 -72.3 -32.3 85.7 -14.4 -4.4 17 197 A K S < S- 0 0 7 -4,-0.6 2,-0.3 30,-0.1 -1,-0.1 -0.943 84.5-111.7-133.7 143.1 83.7 -16.0 -7.2 18 198 A Y - 0 0 28 -2,-0.3 2,-0.4 68,-0.2 -3,-0.1 -0.594 27.4-175.6 -79.2 131.3 80.0 -16.6 -8.0 19 199 A F - 0 0 8 -2,-0.3 -5,-0.0 -5,-0.2 -2,-0.0 -0.997 21.3-132.4-120.9 130.1 78.5 -20.1 -7.9 20 200 A S > - 0 0 22 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.342 23.9-110.9 -74.2 160.1 74.9 -20.6 -9.0 21 201 A P H > S+ 0 0 10 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.870 120.5 54.9 -54.9 -36.5 72.4 -22.6 -7.0 22 202 A E H > S+ 0 0 137 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.945 107.3 49.3 -64.8 -47.5 72.4 -25.2 -9.8 23 203 A Q H > S+ 0 0 54 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.859 112.3 47.8 -56.8 -39.8 76.2 -25.5 -9.5 24 204 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.844 107.9 54.2 -75.3 -35.3 76.1 -25.9 -5.7 25 205 A K H X S+ 0 0 50 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.878 107.6 51.7 -63.1 -39.4 73.3 -28.5 -5.9 26 206 A E H X S+ 0 0 80 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.898 109.8 49.4 -61.9 -41.4 75.5 -30.5 -8.2 27 207 A I H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.933 110.8 50.5 -63.0 -44.2 78.4 -30.3 -5.7 28 208 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.876 107.1 53.4 -60.3 -40.3 76.0 -31.4 -3.0 29 209 A D H X S+ 0 0 55 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.919 112.4 45.3 -61.0 -45.4 74.9 -34.4 -5.1 30 210 A K H X S+ 0 0 67 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.916 109.7 54.6 -63.5 -43.7 78.5 -35.4 -5.4 31 211 A A H X>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 4,-0.8 0.919 112.5 43.6 -56.1 -47.3 79.2 -34.8 -1.7 32 212 A K H ><5S+ 0 0 81 -4,-2.5 3,-0.7 3,-0.2 -1,-0.2 0.933 113.9 50.9 -63.1 -45.7 76.3 -37.2 -0.9 33 213 A H H 3<5S+ 0 0 83 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.931 112.8 45.3 -58.4 -48.2 77.4 -39.8 -3.5 34 214 A Y H 3<5S- 0 0 14 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.567 120.9-104.9 -77.0 -9.0 81.1 -39.8 -2.3 35 215 A G T <<5 + 0 0 2 -4,-0.8 331,-1.8 -3,-0.7 -3,-0.2 0.644 66.0 150.1 94.8 17.4 80.1 -40.1 1.4 36 216 A Y < - 0 0 9 -5,-2.7 -1,-0.2 -6,-0.2 -27,-0.2 -0.313 36.7-152.5 -69.5 162.6 80.8 -36.5 2.6 37 217 A T + 0 0 39 -29,-3.0 70,-2.5 1,-0.2 2,-0.3 0.588 66.8 23.7-108.4 -20.3 78.7 -35.0 5.5 38 218 A D E -bc 9 107A 8 -30,-1.8 -28,-1.7 68,-0.2 2,-0.5 -0.996 54.1-138.5-150.1 152.2 78.9 -31.2 4.8 39 219 A L E -bc 10 108A 0 68,-2.8 70,-2.5 -2,-0.3 2,-0.7 -0.968 20.0-153.3-107.2 126.9 79.4 -28.5 2.3 40 220 A H E -bc 11 109A 0 -30,-3.3 -28,-2.8 -2,-0.5 2,-0.7 -0.904 17.3-170.4-100.9 107.6 81.6 -25.6 3.6 41 221 A L E -bc 12 110A 0 68,-2.2 70,-1.7 -2,-0.7 2,-0.5 -0.885 12.8-157.1-108.1 109.5 80.4 -22.5 1.6 42 222 A L E +bc 13 111A 0 -30,-2.5 -28,-1.3 -2,-0.7 3,-0.2 -0.752 24.0 161.3 -79.4 126.7 82.4 -19.3 1.9 43 223 A V E + 0 0 1 68,-2.5 6,-2.8 -2,-0.5 2,-0.6 0.616 69.5 50.9-115.2 -28.9 80.1 -16.5 1.0 44 224 A G E +Dc 48 112A 3 67,-2.5 69,-2.6 4,-0.2 -1,-0.3 -0.919 67.8 121.3-111.2 106.5 82.2 -13.7 2.6 45 225 A N S S- 0 0 2 2,-2.6 2,-1.9 -2,-0.6 73,-0.2 -0.634 99.6 -41.4-166.7 92.6 85.8 -13.9 1.4 46 226 A D S S+ 0 0 6 71,-2.9 74,-2.7 -2,-0.2 75,-0.3 -0.556 141.0 49.5 69.4 -73.6 86.9 -10.7 -0.4 47 227 A G S S- 0 0 2 -2,-1.9 -2,-2.6 72,-0.2 2,-0.4 -0.422 82.1-139.2 -75.1 162.2 83.5 -10.6 -2.1 48 228 A L B +D 44 0A 1 -4,-0.2 -4,-0.2 25,-0.2 29,-0.2 -0.926 27.3 171.5-123.1 108.5 80.3 -10.9 -0.2 49 229 A R + 0 0 3 -6,-2.8 40,-2.6 -2,-0.4 2,-0.3 -0.143 49.9 74.9-119.4 34.5 78.0 -13.1 -2.3 50 230 A F E -k 89 0B 0 38,-0.3 2,-0.5 -7,-0.1 40,-0.2 -0.949 58.9-167.2-143.4 125.8 75.0 -13.8 -0.1 51 231 A X E -k 90 0B 7 38,-2.7 40,-0.6 -2,-0.3 2,-0.1 -0.957 12.5-141.1-120.4 124.0 72.4 -11.1 0.5 52 232 A L - 0 0 8 -2,-0.5 3,-0.2 38,-0.1 112,-0.0 -0.405 23.3-121.3 -73.0 158.2 69.6 -11.2 3.1 53 233 A D S S+ 0 0 88 1,-0.3 2,-0.7 -2,-0.1 -1,-0.1 0.912 109.6 42.8 -62.3 -44.8 66.2 -9.9 2.3 54 234 A D + 0 0 78 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 -0.910 63.3 165.1-104.7 109.2 66.5 -7.5 5.1 55 235 A X + 0 0 0 -2,-0.7 -1,-0.1 -3,-0.2 108,-0.1 0.171 26.8 138.9-104.9 15.5 70.0 -5.9 5.3 56 236 A S - 0 0 41 13,-0.1 2,-0.4 12,-0.0 9,-0.2 -0.365 32.7-167.0 -63.7 141.5 69.2 -3.1 7.7 57 237 A I E -L 64 0C 7 7,-1.9 7,-2.8 2,-0.1 2,-0.5 -0.999 22.7-166.4-135.9 132.0 71.8 -2.4 10.3 58 238 A T E +L 63 0C 103 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.992 25.4 167.7-107.7 122.5 72.1 -0.5 13.6 59 239 A A E > -L 62 0C 4 3,-2.4 3,-1.8 -2,-0.5 97,-0.2 -0.974 60.7 -21.5-139.9 125.8 75.7 -0.2 14.7 60 240 A N T 3 S- 0 0 87 -2,-0.4 3,-0.1 1,-0.3 96,-0.1 0.826 128.3 -43.2 50.0 43.6 77.2 2.0 17.4 61 241 A G T 3 S+ 0 0 77 1,-0.3 2,-0.3 91,-0.0 -1,-0.3 0.466 117.2 107.5 86.5 3.5 74.3 4.6 17.4 62 242 A K E < -L 59 0C 112 -3,-1.8 -3,-2.4 90,-0.1 2,-0.4 -0.883 55.5-147.5-117.4 148.3 73.9 4.8 13.6 63 243 A T E -L 58 0C 115 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.931 8.2-166.5-119.5 135.2 71.2 3.3 11.5 64 244 A Y E -L 57 0C 26 -7,-2.8 -7,-1.9 -2,-0.4 2,-0.1 -0.987 22.3-124.8-128.1 125.0 71.6 2.0 7.9 65 245 A A >> - 0 0 54 -2,-0.4 4,-2.2 -9,-0.2 3,-0.5 -0.429 19.2-122.0 -75.6 144.5 68.6 1.4 5.7 66 246 A S H 3> S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.899 110.9 49.2 -48.8 -51.9 68.3 -2.1 4.1 67 247 A D H 3> S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.823 110.6 50.1 -60.3 -35.6 68.3 -0.8 0.5 68 248 A D H <> S+ 0 0 74 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.891 110.6 49.2 -72.0 -38.3 71.4 1.3 1.0 69 249 A V H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.955 111.3 50.6 -63.0 -47.3 73.3 -1.6 2.6 70 250 A K H X S+ 0 0 58 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.900 112.7 45.4 -55.7 -48.0 72.3 -3.8 -0.4 71 251 A R H X S+ 0 0 139 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.911 114.9 48.5 -61.0 -45.0 73.5 -1.2 -2.9 72 252 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.908 115.2 43.2 -64.7 -42.5 76.7 -0.7 -1.0 73 253 A I H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 -25,-0.2 0.960 111.3 53.2 -68.6 -49.6 77.5 -4.4 -0.6 74 254 A E H X S+ 0 0 75 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.914 115.9 41.2 -52.0 -47.7 76.6 -5.3 -4.2 75 255 A K H X S+ 0 0 105 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.858 110.6 56.6 -68.2 -40.7 78.9 -2.5 -5.5 76 256 A G H X S+ 0 0 1 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.899 109.1 48.1 -56.9 -39.7 81.6 -3.4 -2.9 77 257 A T H >X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 3,-1.1 0.957 110.6 49.4 -64.0 -51.2 81.7 -6.9 -4.3 78 258 A N H 3< S+ 0 0 41 -4,-2.0 4,-0.4 1,-0.3 -2,-0.2 0.796 104.0 60.9 -61.0 -30.1 81.9 -5.8 -7.9 79 259 A D H 3< S+ 0 0 91 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.800 111.4 40.0 -66.1 -28.9 84.8 -3.5 -6.9 80 260 A Y H << S- 0 0 59 -3,-1.1 2,-0.3 -4,-0.9 -2,-0.2 0.934 144.5 -17.8 -78.3 -57.1 86.7 -6.6 -5.9 81 261 A Y < - 0 0 50 -4,-2.9 2,-1.2 -5,-0.1 -1,-0.2 -0.841 55.1-150.6-154.6 116.0 85.5 -8.7 -8.8 82 262 A N - 0 0 107 -4,-0.4 5,-0.1 -2,-0.3 -4,-0.1 -0.733 27.3-155.0 -88.1 95.5 82.5 -8.0 -11.1 83 263 A D > - 0 0 5 -2,-1.2 3,-1.4 3,-0.3 -2,-0.0 -0.602 14.2-150.1 -81.9 121.5 81.7 -11.6 -12.0 84 264 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.757 95.8 59.0 -60.5 -25.2 79.8 -12.1 -15.3 85 265 A N T 3 S- 0 0 105 1,-0.3 2,-0.3 -67,-0.1 -2,-0.0 0.688 123.2 -58.1 -78.8 -18.3 78.0 -15.2 -14.0 86 266 A G < - 0 0 23 -3,-1.4 -3,-0.3 1,-0.1 -1,-0.3 -0.906 32.9-122.7 156.9 174.2 76.4 -13.3 -11.1 87 267 A N S S- 0 0 16 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.775 76.6 -14.5-114.5 -49.6 76.9 -11.2 -8.0 88 268 A H - 0 0 39 -70,-0.1 -1,-0.4 -37,-0.0 2,-0.3 -0.980 57.4-106.4-155.0 161.1 75.3 -12.9 -5.0 89 269 A L E -k 50 0B 6 -40,-2.6 -38,-2.7 -2,-0.3 2,-0.2 -0.714 38.7-133.1 -86.1 144.9 72.9 -15.6 -3.8 90 270 A T E > -k 51 0B 49 -2,-0.3 4,-2.5 -40,-0.2 5,-0.2 -0.477 23.0-106.5 -93.8 168.1 69.6 -14.4 -2.4 91 271 A E H > S+ 0 0 49 -40,-0.6 4,-2.3 2,-0.2 5,-0.2 0.830 120.4 52.4 -63.7 -36.4 67.9 -15.5 0.8 92 272 A S H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 111.0 46.8 -65.0 -45.3 65.3 -17.6 -1.1 93 273 A Q H > S+ 0 0 64 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.926 113.7 48.6 -61.6 -43.2 68.1 -19.4 -3.0 94 274 A X H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.910 111.0 48.9 -64.2 -42.8 70.1 -20.0 0.2 95 275 A T H X S+ 0 0 43 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.884 114.7 46.4 -65.6 -36.6 67.1 -21.3 2.1 96 276 A D H X S+ 0 0 73 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.945 111.8 50.5 -69.0 -49.4 66.3 -23.6 -0.8 97 277 A L H X S+ 0 0 2 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.923 111.0 48.8 -53.4 -49.0 69.9 -24.8 -1.1 98 278 A I H X S+ 0 0 9 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.888 113.5 46.9 -60.4 -42.6 70.1 -25.6 2.6 99 279 A N H X S+ 0 0 80 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.894 110.9 52.6 -63.6 -43.6 66.8 -27.5 2.4 100 280 A Y H X S+ 0 0 67 -4,-3.2 4,-1.0 2,-0.2 3,-0.4 0.969 112.9 43.2 -54.8 -55.5 68.0 -29.3 -0.6 101 281 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.9 1,-0.2 3,-0.8 0.893 111.2 55.7 -58.6 -42.1 71.2 -30.4 1.1 102 282 A K H ><5S+ 0 0 142 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.846 102.3 55.2 -62.3 -35.3 69.4 -31.3 4.3 103 283 A D H 3<5S+ 0 0 134 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.758 109.1 49.4 -69.9 -23.5 67.1 -33.7 2.4 104 284 A K T <<5S- 0 0 46 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.199 123.0-107.4 -94.4 12.6 70.2 -35.4 1.2 105 285 A G T < 5S+ 0 0 59 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.744 78.2 133.0 65.6 26.9 71.6 -35.6 4.8 106 286 A I < - 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0 0 8 41,-2.4 2,-0.6 -2,-0.1 43,-0.2 -0.318 31.9-107.0 -68.8 165.5 78.8 -45.8 1.6 368 548 A D + 0 0 16 41,-0.1 4,-0.2 1,-0.1 3,-0.2 -0.886 38.3 170.2-102.1 114.1 76.2 -44.9 -1.2 369 549 A Y > + 0 0 46 -2,-0.6 4,-2.0 1,-0.1 5,-0.2 0.385 53.5 96.1 -98.9 2.4 72.8 -46.5 -0.6 370 550 A E H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.878 82.9 48.5 -68.4 -42.4 70.9 -44.6 -3.3 371 551 A S H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.812 110.0 54.6 -64.5 -31.1 71.2 -47.3 -6.0 372 552 A A H > S+ 0 0 3 2,-0.2 4,-2.0 -4,-0.2 -2,-0.2 0.910 109.1 46.6 -66.0 -45.3 69.9 -49.8 -3.5 373 553 A E H X S+ 0 0 116 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.914 113.5 49.6 -61.9 -43.4 66.9 -47.7 -2.8 374 554 A Q H X S+ 0 0 100 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.864 106.8 55.1 -61.9 -39.8 66.4 -47.3 -6.5 375 555 A A H >< S+ 0 0 17 -4,-2.1 3,-0.7 1,-0.2 4,-0.3 0.925 108.0 49.3 -60.5 -45.9 66.7 -51.1 -7.0 376 556 A L H >< S+ 0 0 28 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.882 109.1 51.1 -59.0 -43.7 63.9 -51.7 -4.5 377 557 A N H 3< S+ 0 0 126 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.657 106.5 58.2 -69.0 -15.6 61.5 -49.2 -6.1 378 558 A E T << S+ 0 0 123 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.471 73.4 115.0 -97.3 -3.7 62.1 -50.8 -9.5 379 559 A V S < S- 0 0 8 -3,-1.1 45,-0.0 -4,-0.3 -3,-0.0 -0.498 81.5 -96.7 -63.7 129.8 61.0 -54.4 -8.6 380 560 A P - 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