1 ASP 28 N 0.0027 0.0017 0.0030 2 ASP 28 CA 0.0013 0.0007 0.0015 3 ASP 28 C 0.0002 0.0018 0.0003 4 ASP 28 O 0.0001 0.0038 0.0003 5 ASP 28 CB 0.0009 0.0007 0.0011 6 ASP 28 CG -0.0005 -0.0004 -0.0004 7 ASP 28 OD1 -0.0006 -0.0023 -0.0006 8 ASP 28 OD2 -0.0015 0.0007 -0.0015 9 ASP 28 H 0.0035 0.0009 0.0039 10 ASP 28 HA 0.0014 -0.0010 0.0016 11 ASP 28 HB2 0.0017 -0.0002 0.0020 12 ASP 28 HB3 0.0009 0.0023 0.0011 13 PRO 29 N 0.0015 0.0024 -0.0030 14 PRO 29 CA 0.0004 0.0011 -0.0019 15 PRO 29 C -0.0024 0.0039 -0.0027 16 PRO 29 O -0.0053 0.0057 -0.0028 17 PRO 29 CB -0.0018 -0.0021 0.0006 18 PRO 29 CG -0.0007 -0.0031 0.0009 19 PRO 29 CD 0.0002 0.0003 -0.0014 20 PRO 29 HA 0.0029 0.0001 -0.0022 21 PRO 29 HB2 -0.0050 -0.0012 0.0011 22 PRO 29 HB3 -0.0009 -0.0043 0.0016 23 PRO 29 HG2 -0.0031 -0.0041 0.0022 24 PRO 29 HG3 0.0019 -0.0051 0.0012 25 PRO 29 HD2 -0.0024 0.0017 -0.0014 26 PRO 29 HD3 0.0026 -0.0004 -0.0017 27 ASN 30 N -0.0022 0.0014 -0.0023 28 ASN 30 CA -0.0022 0.0011 -0.0003 29 ASN 30 C -0.0021 0.0028 -0.0009 30 ASN 30 O -0.0021 0.0050 0.0003 31 ASN 30 CB -0.0021 0.0015 0.0026 32 ASN 30 CG -0.0021 0.0013 0.0049 33 ASN 30 OD1 -0.0022 -0.0009 0.0059 34 ASN 30 ND2 -0.0021 0.0035 0.0057 35 ASN 30 H -0.0022 -0.0002 -0.0031 36 ASN 30 HA -0.0022 -0.0010 -0.0004 37 ASN 30 HB2 -0.0022 0.0001 0.0029 38 ASN 30 HB3 -0.0021 0.0035 0.0025 39 ASN 30 HD21 -0.0020 0.0052 0.0048 40 ASN 30 HD22 -0.0021 0.0033 0.0071 41 ALA 31 N -0.0008 0.0050 -0.0033 42 ALA 31 CA -0.0008 0.0049 -0.0032 43 ALA 31 C -0.0011 0.0045 -0.0034 44 ALA 31 O -0.0013 0.0046 -0.0037 45 ALA 31 CB -0.0007 0.0053 -0.0035 46 ALA 31 H -0.0010 0.0048 -0.0035 47 ALA 31 HA -0.0006 0.0049 -0.0029 48 ALA 31 HB1 -0.0007 0.0053 -0.0034 49 ALA 31 HB2 -0.0009 0.0054 -0.0038 50 ALA 31 HB3 -0.0005 0.0056 -0.0034 51 GLU 32 N -0.0009 -0.0007 -0.0039 52 GLU 32 CA -0.0018 -0.0020 -0.0041 53 GLU 32 C -0.0007 -0.0002 -0.0033 54 GLU 32 O -0.0009 -0.0006 -0.0039 55 GLU 32 CB -0.0034 -0.0041 -0.0021 56 GLU 32 CG -0.0032 -0.0033 0.0012 57 GLU 32 CD -0.0048 -0.0055 0.0030 58 GLU 32 OE1 -0.0053 -0.0062 0.0040 59 GLU 32 OE2 -0.0056 -0.0066 0.0036 60 GLU 32 H -0.0012 -0.0009 -0.0021 61 GLU 32 HA -0.0020 -0.0027 -0.0063 62 GLU 32 HB2 -0.0040 -0.0050 -0.0023 63 GLU 32 HB3 -0.0041 -0.0053 -0.0027 64 GLU 32 HG2 -0.0026 -0.0025 0.0015 65 GLU 32 HG3 -0.0024 -0.0021 0.0018 66 PHE 33 N 0.0009 0.0028 0.0003 67 PHE 33 CA 0.0012 0.0030 0.0006 68 PHE 33 C 0.0020 0.0020 0.0008 69 PHE 33 O 0.0021 0.0012 0.0006 70 PHE 33 CB 0.0004 0.0031 0.0000 71 PHE 33 CG -0.0001 0.0022 -0.0007 72 PHE 33 CD1 0.0002 0.0013 -0.0008 73 PHE 33 CD2 -0.0009 0.0023 -0.0012 74 PHE 33 CE1 -0.0003 0.0004 -0.0014 75 PHE 33 CE2 -0.0014 0.0014 -0.0019 76 PHE 33 CZ -0.0011 0.0005 -0.0020 77 PHE 33 H 0.0005 0.0022 -0.0002 78 PHE 33 HA 0.0015 0.0037 0.0010 79 PHE 33 HB2 0.0007 0.0031 0.0002 80 PHE 33 HB3 -0.0001 0.0038 -0.0000 81 PHE 33 HD1 0.0008 0.0012 -0.0004 82 PHE 33 HD2 -0.0012 0.0030 -0.0011 83 PHE 33 HE1 -0.0000 -0.0003 -0.0015 84 PHE 33 HE2 -0.0020 0.0015 -0.0023 85 PHE 33 HZ -0.0014 -0.0001 -0.0025 86 ASP 34 N 0.0022 0.0007 0.0013 87 ASP 34 CA 0.0031 -0.0001 0.0014 88 ASP 34 C 0.0024 -0.0004 0.0011 89 ASP 34 O 0.0017 0.0006 0.0011 90 ASP 34 CB 0.0044 0.0006 0.0021 91 ASP 34 CG 0.0054 -0.0003 0.0022 92 ASP 34 OD1 0.0053 -0.0005 0.0021 93 ASP 34 OD2 0.0064 -0.0009 0.0025 94 ASP 34 H 0.0021 0.0018 0.0015 95 ASP 34 HA 0.0034 -0.0011 0.0013 96 ASP 34 HB2 0.0049 0.0009 0.0023 97 ASP 34 HB3 0.0041 0.0016 0.0022 98 PRO 35 N 0.0014 -0.0045 0.0024 99 PRO 35 CA -0.0011 -0.0052 0.0016 100 PRO 35 C 0.0001 -0.0043 0.0020 101 PRO 35 O -0.0018 -0.0050 0.0014 102 PRO 35 CB -0.0018 -0.0094 0.0014 103 PRO 35 CG 0.0018 -0.0108 0.0025 104 PRO 35 CD 0.0034 -0.0079 0.0030 105 PRO 35 HA -0.0036 -0.0038 0.0008 106 PRO 35 HB2 -0.0026 -0.0105 0.0011 107 PRO 35 HB3 -0.0037 -0.0099 0.0008 108 PRO 35 HG2 0.0034 -0.0113 0.0030 109 PRO 35 HG3 0.0014 -0.0134 0.0024 110 PRO 35 HD2 0.0062 -0.0076 0.0039 111 PRO 35 HD3 0.0030 -0.0085 0.0029 112 ASP 36 N 0.0031 -0.0001 0.0022 113 ASP 36 CA 0.0049 0.0051 0.0013 114 ASP 36 C 0.0046 0.0077 0.0023 115 ASP 36 O 0.0045 0.0123 0.0035 116 ASP 36 CB 0.0085 0.0052 -0.0032 117 ASP 36 CG 0.0105 0.0105 -0.0044 118 ASP 36 OD1 0.0103 0.0133 -0.0034 119 ASP 36 OD2 0.0124 0.0119 -0.0064 120 ASP 36 H 0.0041 -0.0027 0.0004 121 ASP 36 HA 0.0039 0.0070 0.0030 122 ASP 36 HB2 0.0086 0.0035 -0.0038 123 ASP 36 HB3 0.0095 0.0030 -0.0050 124 LEU 37 N 0.0028 0.0019 0.0019 125 LEU 37 CA 0.0027 0.0022 0.0022 126 LEU 37 C 0.0023 0.0022 0.0027 127 LEU 37 O 0.0019 0.0019 0.0027 128 LEU 37 CB 0.0027 0.0020 0.0020 129 LEU 37 CG 0.0033 0.0021 0.0017 130 LEU 37 CD1 0.0036 0.0026 0.0019 131 LEU 37 CD2 0.0035 0.0018 0.0012 132 LEU 37 H 0.0027 0.0015 0.0016 133 LEU 37 HA 0.0031 0.0025 0.0023 134 LEU 37 HB2 0.0025 0.0016 0.0019 135 LEU 37 HB3 0.0026 0.0021 0.0023 136 LEU 37 HG 0.0032 0.0019 0.0016 137 LEU 37 HD11 0.0040 0.0026 0.0016 138 LEU 37 HD12 0.0037 0.0028 0.0019 139 LEU 37 HD13 0.0035 0.0028 0.0022 140 LEU 37 HD21 0.0039 0.0018 0.0010 141 LEU 37 HD22 0.0032 0.0014 0.0010 142 LEU 37 HD23 0.0036 0.0019 0.0013 143 PRO 38 N 0.0019 0.0021 0.0013 144 PRO 38 CA 0.0016 0.0022 0.0013 145 PRO 38 C 0.0016 0.0023 0.0013 146 PRO 38 O 0.0017 0.0025 0.0013 147 PRO 38 CB 0.0016 0.0024 0.0013 148 PRO 38 CG 0.0019 0.0023 0.0013 149 PRO 38 CD 0.0020 0.0022 0.0014 150 PRO 38 HA 0.0015 0.0021 0.0012 151 PRO 38 HB2 0.0017 0.0026 0.0013 152 PRO 38 HB3 0.0015 0.0024 0.0013 153 PRO 38 HG2 0.0020 0.0025 0.0014 154 PRO 38 HG3 0.0018 0.0022 0.0013 155 PRO 38 HD2 0.0022 0.0023 0.0014 156 PRO 38 HD3 0.0021 0.0020 0.0014 157 GLY 39 N 0.0008 0.0027 0.0006 158 GLY 39 CA 0.0012 0.0028 0.0006 159 GLY 39 C 0.0013 0.0030 0.0009 160 GLY 39 O 0.0016 0.0030 0.0009 161 GLY 39 H 0.0007 0.0027 0.0007 162 GLY 39 HA2 0.0014 0.0028 0.0005 163 GLY 39 HA3 0.0013 0.0026 0.0003 164 GLY 40 N 0.0011 0.0033 0.0012 165 GLY 40 CA 0.0013 0.0030 0.0014 166 GLY 40 C 0.0019 0.0033 0.0019 167 GLY 40 O 0.0022 0.0032 0.0021 168 GLY 40 H 0.0010 0.0029 0.0011 169 GLY 40 HA2 0.0014 0.0024 0.0013 170 GLY 40 HA3 0.0011 0.0032 0.0012 171 GLY 41 N 0.0021 0.0023 0.0025 172 GLY 41 CA 0.0021 0.0024 0.0028 173 GLY 41 C 0.0022 0.0027 0.0028 174 GLY 41 O 0.0023 0.0029 0.0030 175 GLY 41 H 0.0020 0.0021 0.0023 176 GLY 41 HA2 0.0021 0.0022 0.0028 177 GLY 41 HA3 0.0021 0.0023 0.0030 178 LEU 42 N 0.0016 0.0031 0.0020 179 LEU 42 CA 0.0016 0.0037 0.0020 180 LEU 42 C 0.0016 0.0036 0.0018 181 LEU 42 O 0.0016 0.0041 0.0019 182 LEU 42 CB 0.0018 0.0042 0.0014 183 LEU 42 CG 0.0017 0.0044 0.0015 184 LEU 42 CD1 0.0019 0.0048 0.0009 185 LEU 42 CD2 0.0015 0.0048 0.0021 186 LEU 42 H 0.0017 0.0029 0.0016 187 LEU 42 HA 0.0014 0.0040 0.0024 188 LEU 42 HB2 0.0019 0.0039 0.0010 189 LEU 42 HB3 0.0018 0.0046 0.0014 190 LEU 42 HG 0.0017 0.0039 0.0015 191 LEU 42 HD11 0.0019 0.0049 0.0009 192 LEU 42 HD12 0.0019 0.0052 0.0008 193 LEU 42 HD13 0.0021 0.0045 0.0004 194 LEU 42 HD21 0.0015 0.0052 0.0021 195 LEU 42 HD22 0.0015 0.0049 0.0021 196 LEU 42 HD23 0.0014 0.0044 0.0025 197 HIS 43 N 0.0015 0.0015 0.0007 198 HIS 43 CA 0.0016 0.0012 0.0003 199 HIS 43 C 0.0012 0.0007 0.0005 200 HIS 43 O 0.0010 0.0001 0.0004 201 HIS 43 CB 0.0019 0.0010 -0.0004 202 HIS 43 CG 0.0022 0.0015 -0.0007 203 HIS 43 ND1 0.0026 0.0020 -0.0009 204 HIS 43 CD2 0.0023 0.0016 -0.0007 205 HIS 43 CE1 0.0029 0.0024 -0.0011 206 HIS 43 NE2 0.0027 0.0022 -0.0010 207 HIS 43 H 0.0013 0.0012 0.0008 208 HIS 43 HA 0.0018 0.0016 0.0003 209 HIS 43 HB2 0.0017 0.0006 -0.0004 210 HIS 43 HB3 0.0020 0.0009 -0.0007 211 HIS 43 HD1 0.0026 0.0021 -0.0009 212 HIS 43 HD2 0.0021 0.0014 -0.0006 213 HIS 43 HE1 0.0032 0.0028 -0.0014 214 HIS 43 HE2 0.0028 0.0024 -0.0010 215 ARG 44 N 0.0039 -0.0013 0.0015 216 ARG 44 CA 0.0028 -0.0013 0.0007 217 ARG 44 C 0.0031 -0.0022 -0.0004 218 ARG 44 O 0.0040 -0.0028 -0.0005 219 ARG 44 CB 0.0022 -0.0010 0.0007 220 ARG 44 CG 0.0021 -0.0002 0.0017 221 ARG 44 CD 0.0016 -0.0000 0.0016 222 ARG 44 NE 0.0015 0.0007 0.0026 223 ARG 44 CZ 0.0010 0.0011 0.0026 224 ARG 44 NH1 0.0005 0.0007 0.0017 225 ARG 44 NH2 0.0009 0.0018 0.0036 226 ARG 44 H 0.0045 -0.0016 0.0015 227 ARG 44 HA 0.0022 -0.0010 0.0008 228 ARG 44 HB2 0.0026 -0.0015 0.0003 229 ARG 44 HB3 0.0013 -0.0009 0.0001 230 ARG 44 HG2 0.0016 0.0003 0.0020 231 ARG 44 HG3 0.0030 -0.0003 0.0022 232 ARG 44 HD2 0.0021 -0.0006 0.0012 233 ARG 44 HD3 0.0007 0.0001 0.0010 234 ARG 44 HE 0.0019 0.0010 0.0032 235 ARG 44 HH11 0.0005 0.0002 0.0010 236 ARG 44 HH12 0.0000 0.0010 0.0018 237 ARG 44 HH21 0.0013 0.0021 0.0043 238 ARG 44 HH22 0.0005 0.0021 0.0036 239 CYS 45 N 0.0010 -0.0028 -0.0017 240 CYS 45 CA 0.0011 -0.0027 -0.0020 241 CYS 45 C 0.0013 -0.0027 -0.0024 242 CYS 45 O 0.0014 -0.0024 -0.0025 243 CYS 45 CB 0.0010 -0.0022 -0.0018 244 CYS 45 SG 0.0011 -0.0020 -0.0021 245 CYS 45 H 0.0009 -0.0026 -0.0017 246 CYS 45 HA 0.0011 -0.0030 -0.0019 247 CYS 45 HB2 0.0008 -0.0023 -0.0015 248 CYS 45 HB3 0.0009 -0.0020 -0.0018 249 LEU 46 N 0.0032 -0.0053 -0.0004 250 LEU 46 CA 0.0047 -0.0053 -0.0047 251 LEU 46 C 0.0066 -0.0021 -0.0052 252 LEU 46 O 0.0085 -0.0003 -0.0080 253 LEU 46 CB 0.0032 -0.0092 -0.0065 254 LEU 46 CG 0.0014 -0.0125 -0.0064 255 LEU 46 CD1 -0.0001 -0.0162 -0.0079 256 LEU 46 CD2 0.0025 -0.0121 -0.0089 257 LEU 46 H 0.0016 -0.0074 0.0009 258 LEU 46 HA 0.0055 -0.0048 -0.0063 259 LEU 46 HB2 0.0024 -0.0096 -0.0048 260 LEU 46 HB3 0.0043 -0.0091 -0.0096 261 LEU 46 HG 0.0004 -0.0124 -0.0033 262 LEU 46 HD11 -0.0009 -0.0166 -0.0059 263 LEU 46 HD12 -0.0013 -0.0186 -0.0079 264 LEU 46 HD13 0.0010 -0.0162 -0.0109 265 LEU 46 HD21 0.0034 -0.0096 -0.0076 266 LEU 46 HD22 0.0037 -0.0119 -0.0120 267 LEU 46 HD23 0.0011 -0.0146 -0.0088 268 ALA 47 N 0.0001 -0.0038 0.0052 269 ALA 47 CA 0.0017 -0.0026 0.0068 270 ALA 47 C 0.0044 -0.0013 0.0069 271 ALA 47 O 0.0062 -0.0003 0.0075 272 ALA 47 CB 0.0005 -0.0026 0.0097 273 ALA 47 H -0.0014 -0.0043 0.0062 274 ALA 47 HA 0.0019 -0.0028 0.0058 275 ALA 47 HB1 0.0017 -0.0018 0.0108 276 ALA 47 HB2 0.0004 -0.0025 0.0108 277 ALA 47 HB3 -0.0014 -0.0036 0.0097 278 CYS 48 N 0.0049 0.0005 -0.0053 279 CYS 48 CA 0.0040 0.0012 -0.0051 280 CYS 48 C 0.0040 0.0005 -0.0047 281 CYS 48 O 0.0035 0.0011 -0.0046 282 CYS 48 CB 0.0029 0.0017 -0.0044 283 CYS 48 SG 0.0028 0.0028 -0.0049 284 CYS 48 H 0.0048 -0.0003 -0.0048 285 CYS 48 HA 0.0043 0.0020 -0.0058 286 CYS 48 HB2 0.0025 0.0011 -0.0037 287 CYS 48 HB3 0.0023 0.0023 -0.0042 288 ALA 49 N 0.0035 0.0016 -0.0053 289 ALA 49 CA 0.0034 0.0007 -0.0044 290 ALA 49 C 0.0015 0.0013 -0.0022 291 ALA 49 O 0.0011 0.0013 -0.0016 292 ALA 49 CB 0.0041 0.0017 -0.0062 293 ALA 49 H 0.0043 0.0005 -0.0055 294 ALA 49 HA 0.0043 -0.0012 -0.0041 295 ALA 49 HB1 0.0032 0.0035 -0.0066 296 ALA 49 HB2 0.0054 0.0012 -0.0077 297 ALA 49 HB3 0.0041 0.0009 -0.0056 298 ARG 50 N 0.0027 -0.0011 -0.0014 299 ARG 50 CA -0.0014 -0.0011 0.0009 300 ARG 50 C -0.0006 -0.0034 0.0038 301 ARG 50 O 0.0025 -0.0040 0.0031 302 ARG 50 CB -0.0044 0.0017 -0.0017 303 ARG 50 CG -0.0058 0.0041 -0.0046 304 ARG 50 CD -0.0088 0.0068 -0.0070 305 ARG 50 NE -0.0101 0.0092 -0.0100 306 ARG 50 CZ -0.0125 0.0118 -0.0127 307 ARG 50 NH1 -0.0139 0.0124 -0.0127 308 ARG 50 NH2 -0.0134 0.0139 -0.0153 309 ARG 50 H 0.0045 -0.0005 -0.0033 310 ARG 50 HA -0.0030 -0.0015 0.0024 311 ARG 50 HB2 -0.0028 0.0021 -0.0033 312 ARG 50 HB3 -0.0074 0.0015 0.0002 313 ARG 50 HG2 -0.0076 0.0037 -0.0031 314 ARG 50 HG3 -0.0029 0.0043 -0.0066 315 ARG 50 HD2 -0.0071 0.0072 -0.0085 316 ARG 50 HD3 -0.0118 0.0066 -0.0051 317 ARG 50 HE -0.0091 0.0087 -0.0098 318 ARG 50 HH11 -0.0133 0.0109 -0.0108 319 ARG 50 HH12 -0.0157 0.0143 -0.0147 320 ARG 50 HH21 -0.0124 0.0135 -0.0153 321 ARG 50 HH22 -0.0151 0.0158 -0.0173 322 TYR 51 N 0.0001 0.0008 0.0011 323 TYR 51 CA 0.0004 0.0009 0.0014 324 TYR 51 C 0.0002 0.0008 0.0010 325 TYR 51 O -0.0004 0.0007 0.0009 326 TYR 51 CB 0.0002 0.0007 0.0021 327 TYR 51 CG 0.0004 0.0007 0.0025 328 TYR 51 CD1 -0.0001 0.0006 0.0025 329 TYR 51 CD2 0.0010 0.0009 0.0029 330 TYR 51 CE1 0.0001 0.0006 0.0029 331 TYR 51 CE2 0.0011 0.0009 0.0032 332 TYR 51 CZ 0.0007 0.0007 0.0032 333 TYR 51 OH 0.0008 0.0007 0.0036 334 TYR 51 H -0.0004 0.0007 0.0012 335 TYR 51 HA 0.0009 0.0010 0.0014 336 TYR 51 HB2 -0.0003 0.0006 0.0021 337 TYR 51 HB3 0.0004 0.0008 0.0023 338 TYR 51 HD1 -0.0006 0.0005 0.0022 339 TYR 51 HD2 0.0013 0.0010 0.0029 340 TYR 51 HE1 -0.0003 0.0005 0.0029 341 TYR 51 HE2 0.0016 0.0010 0.0035 342 TYR 51 HH 0.0004 0.0006 0.0038 343 PHE 52 N -0.0007 0.0009 -0.0005 344 PHE 52 CA -0.0005 0.0008 -0.0007 345 PHE 52 C -0.0001 0.0011 -0.0000 346 PHE 52 O 0.0004 0.0012 0.0004 347 PHE 52 CB 0.0000 0.0006 -0.0014 348 PHE 52 CG -0.0004 0.0004 -0.0022 349 PHE 52 CD1 -0.0003 0.0004 -0.0022 350 PHE 52 CD2 -0.0008 0.0002 -0.0027 351 PHE 52 CE1 -0.0006 0.0002 -0.0029 352 PHE 52 CE2 -0.0011 -0.0000 -0.0034 353 PHE 52 CZ -0.0010 -0.0000 -0.0035 354 PHE 52 H -0.0002 0.0009 -0.0004 355 PHE 52 HA -0.0011 0.0008 -0.0008 356 PHE 52 HB2 0.0006 0.0007 -0.0013 357 PHE 52 HB3 0.0001 0.0006 -0.0016 358 PHE 52 HD1 0.0001 0.0005 -0.0018 359 PHE 52 HD2 -0.0008 0.0002 -0.0027 360 PHE 52 HE1 -0.0005 0.0001 -0.0030 361 PHE 52 HE2 -0.0014 -0.0001 -0.0038 362 PHE 52 HZ -0.0013 -0.0002 -0.0040 363 ILE 53 N 0.0006 0.0021 -0.0017 364 ILE 53 CA 0.0010 0.0025 -0.0019 365 ILE 53 C 0.0014 0.0030 -0.0022 366 ILE 53 O 0.0016 0.0036 -0.0021 367 ILE 53 CB 0.0012 0.0021 -0.0024 368 ILE 53 CG1 0.0015 0.0017 -0.0028 369 ILE 53 CG2 0.0008 0.0017 -0.0021 370 ILE 53 CD1 0.0017 0.0013 -0.0033 371 ILE 53 H 0.0006 0.0016 -0.0019 372 ILE 53 HA 0.0008 0.0028 -0.0016 373 ILE 53 HB 0.0015 0.0025 -0.0025 374 ILE 53 HG12 0.0012 0.0013 -0.0027 375 ILE 53 HG13 0.0017 0.0020 -0.0030 376 ILE 53 HG21 0.0005 0.0013 -0.0019 377 ILE 53 HG22 0.0007 0.0020 -0.0018 378 ILE 53 HG23 0.0010 0.0014 -0.0024 379 ILE 53 HD11 0.0020 0.0016 -0.0035 380 ILE 53 HD12 0.0018 0.0010 -0.0036 381 ILE 53 HD13 0.0014 0.0010 -0.0031 382 ASP 54 N 0.0009 0.0022 -0.0027 383 ASP 54 CA 0.0012 0.0024 -0.0028 384 ASP 54 C 0.0009 0.0020 -0.0027 385 ASP 54 O 0.0007 0.0016 -0.0026 386 ASP 54 CB 0.0018 0.0022 -0.0031 387 ASP 54 CG 0.0021 0.0024 -0.0032 388 ASP 54 OD1 0.0022 0.0030 -0.0033 389 ASP 54 OD2 0.0022 0.0021 -0.0032 390 ASP 54 H 0.0008 0.0018 -0.0026 391 ASP 54 HA 0.0011 0.0028 -0.0028 392 ASP 54 HB2 0.0019 0.0025 -0.0031 393 ASP 54 HB3 0.0018 0.0018 -0.0031 394 SER 55 N 0.0008 0.0016 -0.0028 395 SER 55 CA 0.0005 0.0007 -0.0029 396 SER 55 C 0.0009 -0.0000 -0.0027 397 SER 55 O 0.0005 -0.0007 -0.0029 398 SER 55 CB 0.0005 0.0004 -0.0029 399 SER 55 OG 0.0002 -0.0005 -0.0030 400 SER 55 H 0.0011 0.0019 -0.0027 401 SER 55 HA -0.0001 0.0007 -0.0033 402 SER 55 HB2 0.0002 0.0009 -0.0031 403 SER 55 HB3 0.0011 0.0005 -0.0026 404 SER 55 HG 0.0007 -0.0009 -0.0028 405 THR 56 N -0.0001 -0.0003 -0.0024 406 THR 56 CA 0.0003 -0.0004 -0.0014 407 THR 56 C 0.0002 0.0006 -0.0020 408 THR 56 O 0.0001 0.0002 -0.0020 409 THR 56 CB 0.0009 0.0000 0.0001 410 THR 56 OG1 0.0009 -0.0008 0.0005 411 THR 56 CG2 0.0012 -0.0003 0.0011 412 THR 56 H 0.0001 0.0002 -0.0020 413 THR 56 HA 0.0001 -0.0016 -0.0014 414 THR 56 HB 0.0010 0.0012 -0.0000 415 THR 56 HG1 0.0008 -0.0003 0.0000 416 THR 56 HG21 0.0016 -0.0000 0.0022 417 THR 56 HG22 0.0010 -0.0015 0.0012 418 THR 56 HG23 0.0012 0.0003 0.0008 419 ASN 57 N 0.0005 0.0008 -0.0030 420 ASN 57 CA 0.0001 0.0010 -0.0032 421 ASN 57 C -0.0003 0.0007 -0.0037 422 ASN 57 O -0.0005 0.0005 -0.0039 423 ASN 57 CB 0.0000 0.0017 -0.0032 424 ASN 57 CG 0.0004 0.0019 -0.0028 425 ASN 57 OD1 0.0003 0.0020 -0.0028 426 ASN 57 ND2 0.0007 0.0021 -0.0025 427 ASN 57 H 0.0005 0.0012 -0.0029 428 ASN 57 HA 0.0003 0.0008 -0.0032 429 ASN 57 HB2 0.0000 0.0018 -0.0031 430 ASN 57 HB3 -0.0003 0.0018 -0.0034 431 ASN 57 HD21 0.0007 0.0021 -0.0025 432 ASN 57 HD22 0.0009 0.0023 -0.0022 433 LEU 58 N -0.0003 -0.0006 -0.0036 434 LEU 58 CA -0.0002 -0.0007 -0.0039 435 LEU 58 C 0.0001 -0.0008 -0.0044 436 LEU 58 O -0.0000 -0.0008 -0.0049 437 LEU 58 CB 0.0001 -0.0007 -0.0036 438 LEU 58 CG 0.0004 -0.0009 -0.0039 439 LEU 58 CD1 0.0009 -0.0011 -0.0041 440 LEU 58 CD2 -0.0000 -0.0008 -0.0043 441 LEU 58 H -0.0002 -0.0006 -0.0032 442 LEU 58 HA -0.0006 -0.0005 -0.0041 443 LEU 58 HB2 -0.0002 -0.0006 -0.0033 444 LEU 58 HB3 0.0004 -0.0008 -0.0033 445 LEU 58 HG 0.0004 -0.0009 -0.0036 446 LEU 58 HD11 0.0010 -0.0012 -0.0043 447 LEU 58 HD12 0.0008 -0.0011 -0.0044 448 LEU 58 HD13 0.0011 -0.0012 -0.0038 449 LEU 58 HD21 -0.0001 -0.0007 -0.0047 450 LEU 58 HD22 0.0002 -0.0008 -0.0045 451 LEU 58 HD23 -0.0004 -0.0006 -0.0042 452 LYS 59 N -0.0009 -0.0015 -0.0055 453 LYS 59 CA -0.0009 -0.0025 -0.0053 454 LYS 59 C -0.0012 -0.0003 -0.0044 455 LYS 59 O -0.0010 -0.0003 -0.0052 456 LYS 59 CB -0.0012 -0.0049 -0.0036 457 LYS 59 CG -0.0019 -0.0046 -0.0009 458 LYS 59 CD -0.0022 -0.0072 0.0005 459 LYS 59 CE -0.0022 -0.0083 0.0008 460 LYS 59 NZ -0.0026 -0.0067 0.0023 461 LYS 59 H -0.0011 -0.0023 -0.0045 462 LYS 59 HA -0.0004 -0.0030 -0.0072 463 LYS 59 HB2 -0.0012 -0.0057 -0.0036 464 LYS 59 HB3 -0.0010 -0.0064 -0.0044 465 LYS 59 HG2 -0.0020 -0.0038 -0.0009 466 LYS 59 HG3 -0.0022 -0.0033 0.0000 467 LYS 59 HD2 -0.0019 -0.0085 -0.0005 468 LYS 59 HD3 -0.0026 -0.0069 0.0024 469 LYS 59 HE2 -0.0017 -0.0086 -0.0011 470 LYS 59 HE3 -0.0024 -0.0102 0.0017 471 LYS 59 HZ1 -0.0031 -0.0066 0.0041 472 LYS 59 HZ2 -0.0026 -0.0076 0.0024 473 LYS 59 HZ3 -0.0025 -0.0048 0.0016 474 THR 60 N -0.0020 -0.0006 -0.0048 475 THR 60 CA -0.0020 0.0012 -0.0039 476 THR 60 C -0.0019 0.0028 -0.0061 477 THR 60 O -0.0018 0.0036 -0.0061 478 THR 60 CB -0.0021 0.0029 -0.0019 479 THR 60 OG1 -0.0022 0.0014 0.0001 480 THR 60 CG2 -0.0021 0.0047 -0.0010 481 THR 60 H -0.0020 -0.0004 -0.0043 482 THR 60 HA -0.0020 0.0002 -0.0032 483 THR 60 HB -0.0020 0.0038 -0.0028 484 THR 60 HG1 -0.0022 0.0005 -0.0005 485 THR 60 HG21 -0.0022 0.0059 0.0004 486 THR 60 HG22 -0.0022 0.0038 -0.0002 487 THR 60 HG23 -0.0020 0.0059 -0.0024 488 HIS 61 N -0.0020 0.0008 -0.0069 489 HIS 61 CA -0.0020 0.0008 -0.0069 490 HIS 61 C -0.0014 0.0012 -0.0073 491 HIS 61 O -0.0015 0.0013 -0.0075 492 HIS 61 CB -0.0019 0.0004 -0.0061 493 HIS 61 CG -0.0016 0.0004 -0.0060 494 HIS 61 ND1 -0.0020 0.0004 -0.0063 495 HIS 61 CD2 -0.0009 0.0005 -0.0058 496 HIS 61 CE1 -0.0016 0.0005 -0.0061 497 HIS 61 NE2 -0.0009 0.0005 -0.0058 498 HIS 61 H -0.0019 0.0006 -0.0065 499 HIS 61 HA -0.0025 0.0008 -0.0072 500 HIS 61 HB2 -0.0024 0.0001 -0.0060 501 HIS 61 HB3 -0.0015 0.0003 -0.0058 502 HIS 61 HD1 -0.0025 0.0003 -0.0065 503 HIS 61 HD2 -0.0005 0.0005 -0.0056 504 HIS 61 HE1 -0.0016 0.0005 -0.0062 505 PHE 62 N -0.0036 -0.0009 -0.0060 506 PHE 62 CA -0.0026 -0.0001 -0.0065 507 PHE 62 C -0.0030 0.0007 -0.0076 508 PHE 62 O -0.0022 0.0014 -0.0082 509 PHE 62 CB -0.0014 -0.0000 -0.0060 510 PHE 62 CG -0.0010 -0.0008 -0.0049 511 PHE 62 CD1 -0.0008 -0.0012 -0.0043 512 PHE 62 CD2 -0.0007 -0.0011 -0.0043 513 PHE 62 CE1 -0.0005 -0.0019 -0.0032 514 PHE 62 CE2 -0.0003 -0.0018 -0.0033 515 PHE 62 CZ -0.0002 -0.0022 -0.0027 516 PHE 62 H -0.0036 -0.0011 -0.0057 517 PHE 62 HA -0.0025 -0.0002 -0.0063 518 PHE 62 HB2 -0.0013 0.0002 -0.0063 519 PHE 62 HB3 -0.0007 0.0005 -0.0063 520 PHE 62 HD1 -0.0011 -0.0009 -0.0047 521 PHE 62 HD2 -0.0008 -0.0008 -0.0048 522 PHE 62 HE1 -0.0004 -0.0022 -0.0028 523 PHE 62 HE2 -0.0001 -0.0020 -0.0029 524 PHE 62 HZ 0.0001 -0.0028 -0.0019 525 ARG 63 N -0.0031 0.0046 -0.0159 526 ARG 63 CA -0.0035 0.0053 -0.0107 527 ARG 63 C -0.0020 0.0102 -0.0127 528 ARG 63 O -0.0020 0.0117 -0.0088 529 ARG 63 CB -0.0038 0.0071 -0.0038 530 ARG 63 CG -0.0055 0.0016 -0.0010 531 ARG 63 CD -0.0057 0.0036 0.0058 532 ARG 63 NE -0.0058 0.0054 0.0108 533 ARG 63 CZ -0.0063 0.0063 0.0174 534 ARG 63 NH1 -0.0069 0.0053 0.0200 535 ARG 63 NH2 -0.0063 0.0082 0.0214 536 ARG 63 H -0.0026 0.0066 -0.0152 537 ARG 63 HA -0.0047 0.0006 -0.0104 538 ARG 63 HB2 -0.0026 0.0115 -0.0043 539 ARG 63 HB3 -0.0039 0.0081 -0.0003 540 ARG 63 HG2 -0.0067 -0.0027 -0.0004 541 ARG 63 HG3 -0.0054 0.0005 -0.0046 542 ARG 63 HD2 -0.0070 -0.0005 0.0076 543 ARG 63 HD3 -0.0046 0.0078 0.0051 544 ARG 63 HE -0.0055 0.0061 0.0089 545 ARG 63 HH11 -0.0070 0.0037 0.0171 546 ARG 63 HH12 -0.0073 0.0059 0.0250 547 ARG 63 HH21 -0.0059 0.0089 0.0195 548 ARG 63 HH22 -0.0066 0.0090 0.0264 549 SER 64 N -0.0043 0.0037 -0.0071 550 SER 64 CA -0.0031 0.0037 -0.0056 551 SER 64 C -0.0034 0.0050 -0.0042 552 SER 64 O -0.0033 0.0051 -0.0040 553 SER 64 CB -0.0016 0.0024 -0.0056 554 SER 64 OG -0.0014 0.0011 -0.0070 555 SER 64 H -0.0042 0.0031 -0.0077 556 SER 64 HA -0.0030 0.0037 -0.0055 557 SER 64 HB2 -0.0016 0.0025 -0.0054 558 SER 64 HB3 -0.0007 0.0023 -0.0046 559 SER 64 HG -0.0012 0.0009 -0.0070 560 LYS 65 N -0.0032 0.0058 -0.0072 561 LYS 65 CA -0.0072 0.0088 -0.0021 562 LYS 65 C -0.0012 0.0091 -0.0002 563 LYS 65 O -0.0043 0.0098 0.0005 564 LYS 65 CB -0.0114 0.0131 0.0055 565 LYS 65 CG -0.0054 0.0151 0.0109 566 LYS 65 CD 0.0026 0.0162 0.0149 567 LYS 65 CE 0.0082 0.0181 0.0201 568 LYS 65 NZ 0.0164 0.0190 0.0237 569 LYS 65 H -0.0025 0.0067 -0.0052 570 LYS 65 HA -0.0126 0.0076 -0.0059 571 LYS 65 HB2 -0.0134 0.0152 0.0092 572 LYS 65 HB3 -0.0173 0.0128 0.0036 573 LYS 65 HG2 -0.0094 0.0179 0.0155 574 LYS 65 HG3 -0.0032 0.0130 0.0072 575 LYS 65 HD2 0.0067 0.0135 0.0104 576 LYS 65 HD3 0.0002 0.0183 0.0187 577 LYS 65 HE2 0.0042 0.0209 0.0249 578 LYS 65 HE3 0.0101 0.0161 0.0164 579 LYS 65 HZ1 0.0149 0.0209 0.0273 580 LYS 65 HZ2 0.0205 0.0163 0.0193 581 LYS 65 HZ3 0.0200 0.0204 0.0273 582 ASP 66 N -0.0009 0.0127 0.0082 583 ASP 66 CA 0.0004 0.0131 0.0075 584 ASP 66 C -0.0002 0.0125 0.0037 585 ASP 66 O -0.0006 0.0123 0.0028 586 ASP 66 CB 0.0041 0.0145 0.0083 587 ASP 66 CG 0.0054 0.0150 0.0082 588 ASP 66 OD1 0.0053 0.0151 0.0110 589 ASP 66 OD2 0.0066 0.0152 0.0055 590 ASP 66 H 0.0007 0.0133 0.0086 591 ASP 66 HA -0.0009 0.0127 0.0092 592 ASP 66 HB2 0.0045 0.0148 0.0108 593 ASP 66 HB3 0.0054 0.0148 0.0063 594 HIS 67 N -0.0037 0.0045 0.0023 595 HIS 67 CA -0.0034 0.0044 0.0036 596 HIS 67 C -0.0029 0.0067 0.0044 597 HIS 67 O -0.0024 0.0070 0.0064 598 HIS 67 CB -0.0039 0.0035 0.0022 599 HIS 67 CG -0.0036 0.0032 0.0033 600 HIS 67 ND1 -0.0032 0.0025 0.0055 601 HIS 67 CD2 -0.0039 0.0028 0.0024 602 HIS 67 CE1 -0.0032 0.0015 0.0059 603 HIS 67 NE2 -0.0036 0.0017 0.0041 604 HIS 67 H -0.0042 0.0041 0.0007 605 HIS 67 HA -0.0032 0.0033 0.0051 606 HIS 67 HB2 -0.0042 0.0018 0.0016 607 HIS 67 HB3 -0.0041 0.0047 0.0008 608 HIS 67 HD1 -0.0029 0.0025 0.0067 609 HIS 67 HD2 -0.0042 0.0036 0.0008 610 HIS 67 HE1 -0.0029 0.0008 0.0075 611 LYS 68 N -0.0048 -0.0019 0.0005 612 LYS 68 CA -0.0036 0.0003 0.0010 613 LYS 68 C -0.0030 0.0012 0.0016 614 LYS 68 O -0.0020 0.0027 0.0030 615 LYS 68 CB -0.0033 0.0015 -0.0011 616 LYS 68 CG -0.0040 0.0004 -0.0019 617 LYS 68 CD -0.0037 0.0016 -0.0040 618 LYS 68 CE -0.0040 0.0015 -0.0062 619 LYS 68 NZ -0.0038 0.0026 -0.0083 620 LYS 68 H -0.0052 -0.0023 -0.0012 621 LYS 68 HA -0.0033 0.0003 0.0025 622 LYS 68 HB2 -0.0035 0.0015 -0.0026 623 LYS 68 HB3 -0.0024 0.0031 -0.0007 624 LYS 68 HG2 -0.0039 0.0001 -0.0004 625 LYS 68 HG3 -0.0049 -0.0012 -0.0023 626 LYS 68 HD2 -0.0027 0.0032 -0.0036 627 LYS 68 HD3 -0.0041 0.0008 -0.0045 628 LYS 68 HE2 -0.0049 -0.0001 -0.0065 629 LYS 68 HE3 -0.0035 0.0024 -0.0058 630 LYS 68 HZ1 -0.0029 0.0042 -0.0081 631 LYS 68 HZ2 -0.0040 0.0025 -0.0098 632 LYS 68 HZ3 -0.0043 0.0018 -0.0087 633 LYS 69 N -0.0046 0.0059 0.0088 634 LYS 69 CA -0.0040 0.0064 0.0073 635 LYS 69 C -0.0026 0.0070 0.0024 636 LYS 69 O -0.0027 0.0051 -0.0001 637 LYS 69 CB -0.0031 0.0102 0.0098 638 LYS 69 CG -0.0018 0.0122 0.0081 639 LYS 69 CD -0.0009 0.0162 0.0109 640 LYS 69 CE 0.0005 0.0188 0.0095 641 LYS 69 NZ 0.0014 0.0227 0.0124 642 LYS 69 H -0.0044 0.0078 0.0112 643 LYS 69 HA -0.0052 0.0038 0.0079 644 LYS 69 HB2 -0.0042 0.0095 0.0130 645 LYS 69 HB3 -0.0022 0.0125 0.0100 646 LYS 69 HG2 -0.0008 0.0127 0.0048 647 LYS 69 HG3 -0.0027 0.0102 0.0082 648 LYS 69 HD2 -0.0020 0.0154 0.0141 649 LYS 69 HD3 -0.0002 0.0179 0.0109 650 LYS 69 HE2 0.0016 0.0195 0.0062 651 LYS 69 HE3 -0.0002 0.0171 0.0097 652 LYS 69 HZ1 0.0024 0.0246 0.0115 653 LYS 69 HZ2 0.0020 0.0242 0.0123 654 LYS 69 HZ3 0.0003 0.0220 0.0156 655 ARG 70 N 0.0008 0.0036 0.0009 656 ARG 70 CA -0.0085 0.0079 -0.0006 657 ARG 70 C -0.0025 0.0082 0.0052 658 ARG 70 O -0.0062 0.0076 0.0010 659 ARG 70 CB -0.0190 0.0174 0.0049 660 ARG 70 CG -0.0298 0.0221 0.0025 661 ARG 70 CD -0.0354 0.0168 -0.0111 662 ARG 70 NE -0.0454 0.0209 -0.0137 663 ARG 70 CZ -0.0483 0.0163 -0.0236 664 ARG 70 NH1 -0.0419 0.0075 -0.0320 665 ARG 70 NH2 -0.0577 0.0207 -0.0252 666 ARG 70 H 0.0005 0.0072 0.0064 667 ARG 70 HA -0.0122 0.0040 -0.0103 668 ARG 70 HB2 -0.0222 0.0173 0.0018 669 ARG 70 HB3 -0.0151 0.0212 0.0146 670 ARG 70 HG2 -0.0368 0.0286 0.0065 671 ARG 70 HG3 -0.0265 0.0227 0.0065 672 ARG 70 HD2 -0.0282 0.0102 -0.0151 673 ARG 70 HD3 -0.0389 0.0163 -0.0150 674 ARG 70 HE -0.0502 0.0274 -0.0077 675 ARG 70 HH11 -0.0348 0.0038 -0.0313 676 ARG 70 HH12 -0.0440 0.0040 -0.0394 677 ARG 70 HH21 -0.0626 0.0274 -0.0191 678 ARG 70 HH22 -0.0603 0.0177 -0.0324 679 LEU 71 N -0.0027 0.0020 0.0079 680 LEU 71 CA -0.0003 0.0016 0.0101 681 LEU 71 C 0.0030 0.0032 0.0091 682 LEU 71 O 0.0054 0.0030 0.0109 683 LEU 71 CB -0.0011 0.0009 0.0107 684 LEU 71 CG -0.0044 -0.0007 0.0117 685 LEU 71 CD1 -0.0047 -0.0013 0.0124 686 LEU 71 CD2 -0.0048 -0.0024 0.0144 687 LEU 71 H -0.0043 0.0021 0.0068 688 LEU 71 HA -0.0002 0.0004 0.0121 689 LEU 71 HB2 -0.0011 0.0021 0.0087 690 LEU 71 HB3 0.0008 0.0006 0.0124 691 LEU 71 HG -0.0063 -0.0003 0.0099 692 LEU 71 HD11 -0.0029 -0.0017 0.0142 693 LEU 71 HD12 -0.0045 -0.0001 0.0105 694 LEU 71 HD13 -0.0071 -0.0024 0.0131 695 LEU 71 HD21 -0.0047 -0.0020 0.0138 696 LEU 71 HD22 -0.0029 -0.0028 0.0162 697 LEU 71 HD23 -0.0071 -0.0035 0.0150 698 LYS 72 N 0.0101 0.0039 -0.0001 699 LYS 72 CA 0.0064 -0.0013 0.0004 700 LYS 72 C 0.0075 -0.0001 -0.0050 701 LYS 72 O 0.0046 -0.0045 -0.0090 702 LYS 72 CB 0.0055 -0.0018 0.0090 703 LYS 72 CG 0.0015 -0.0072 0.0103 704 LYS 72 CD 0.0007 -0.0076 0.0189 705 LYS 72 CE -0.0032 -0.0130 0.0203 706 LYS 72 NZ -0.0042 -0.0136 0.0288 707 LYS 72 H 0.0117 0.0065 0.0046 708 LYS 72 HA 0.0033 -0.0057 -0.0015 709 LYS 72 HB2 0.0047 -0.0025 0.0127 710 LYS 72 HB3 0.0086 0.0026 0.0108 711 LYS 72 HG2 0.0024 -0.0062 0.0071 712 LYS 72 HG3 -0.0016 -0.0116 0.0082 713 LYS 72 HD2 -0.0001 -0.0084 0.0222 714 LYS 72 HD3 0.0038 -0.0031 0.0210 715 LYS 72 HE2 -0.0023 -0.0120 0.0173 716 LYS 72 HE3 -0.0062 -0.0174 0.0180 717 LYS 72 HZ1 -0.0014 -0.0095 0.0312 718 LYS 72 HZ2 -0.0051 -0.0146 0.0319 719 LYS 72 HZ3 -0.0069 -0.0174 0.0295 720 GLN 73 N 0.0140 0.0028 -0.0097 721 GLN 73 CA 0.0102 0.0037 -0.0176 722 GLN 73 C 0.0102 0.0040 -0.0095 723 GLN 73 O 0.0142 0.0026 -0.0140 724 GLN 73 CB -0.0028 0.0076 -0.0236 725 GLN 73 CG -0.0037 0.0075 -0.0325 726 GLN 73 CD -0.0168 0.0114 -0.0378 727 GLN 73 OE1 -0.0261 0.0145 -0.0314 728 GLN 73 NE2 -0.0177 0.0113 -0.0493 729 GLN 73 H 0.0079 0.0048 -0.0077 730 GLN 73 HA 0.0168 0.0014 -0.0254 731 GLN 73 HB2 -0.0094 0.0099 -0.0158 732 GLN 73 HB3 -0.0054 0.0082 -0.0291 733 GLN 73 HG2 0.0025 0.0054 -0.0407 734 GLN 73 HG3 -0.0007 0.0068 -0.0272 735 GLN 73 HE21 -0.0099 0.0088 -0.0539 736 GLN 73 HE22 -0.0259 0.0138 -0.0532 737 LEU 74 N 0.0123 0.0056 0.0001 738 LEU 74 CA 0.0137 0.0021 0.0126 739 LEU 74 C 0.0271 0.0018 0.0196 740 LEU 74 O 0.0312 -0.0005 0.0291 741 LEU 74 CB 0.0018 -0.0018 0.0207 742 LEU 74 CG 0.0008 -0.0058 0.0337 743 LEU 74 CD1 0.0003 -0.0053 0.0317 744 LEU 74 CD2 -0.0115 -0.0094 0.0405 745 LEU 74 H 0.0066 0.0051 -0.0008 746 LEU 74 HA 0.0137 0.0026 0.0108 747 LEU 74 HB2 -0.0072 -0.0013 0.0150 748 LEU 74 HB3 0.0029 -0.0022 0.0225 749 LEU 74 HG 0.0095 -0.0065 0.0397 750 LEU 74 HD11 -0.0007 -0.0082 0.0410 751 LEU 74 HD12 -0.0082 -0.0046 0.0255 752 LEU 74 HD13 0.0093 -0.0029 0.0274 753 LEU 74 HD21 -0.0203 -0.0088 0.0346 754 LEU 74 HD22 -0.0121 -0.0122 0.0496 755 LEU 74 HD23 -0.0108 -0.0098 0.0422 756 SER 75 N 0.0271 -0.0002 0.0143 757 SER 75 CA 0.0393 -0.0009 0.0193 758 SER 75 C 0.0326 -0.0162 0.0299 759 SER 75 O 0.0433 -0.0211 0.0379 760 SER 75 CB 0.0608 0.0021 0.0244 761 SER 75 OG 0.0730 0.0024 0.0284 762 SER 75 H 0.0176 0.0062 0.0056 763 SER 75 HA 0.0372 0.0081 0.0108 764 SER 75 HB2 0.0647 0.0130 0.0164 765 SER 75 HB3 0.0628 -0.0069 0.0327 766 SER 75 HG 0.0835 0.0112 0.0247 767 VAL 76 N 0.0124 -0.0038 0.0198 768 VAL 76 CA 0.0103 -0.0073 0.0224 769 VAL 76 C 0.0102 -0.0075 0.0226 770 VAL 76 O 0.0121 -0.0100 0.0247 771 VAL 76 CB 0.0053 -0.0078 0.0225 772 VAL 76 CG1 0.0031 -0.0113 0.0252 773 VAL 76 CG2 0.0053 -0.0075 0.0223 774 VAL 76 H 0.0106 -0.0021 0.0183 775 VAL 76 HA 0.0123 -0.0094 0.0242 776 VAL 76 HB 0.0034 -0.0056 0.0207 777 VAL 76 HG11 -0.0003 -0.0116 0.0252 778 VAL 76 HG12 0.0051 -0.0135 0.0270 779 VAL 76 HG13 0.0030 -0.0114 0.0252 780 VAL 76 HG21 0.0019 -0.0078 0.0223 781 VAL 76 HG22 0.0068 -0.0049 0.0203 782 VAL 76 HG23 0.0073 -0.0096 0.0241 783 GLU 77 N 0.0060 -0.0058 0.0135 784 GLU 77 CA 0.0053 -0.0048 0.0125 785 GLU 77 C 0.0052 -0.0024 0.0114 786 GLU 77 O 0.0038 -0.0021 0.0103 787 GLU 77 CB 0.0034 -0.0062 0.0117 788 GLU 77 CG 0.0019 -0.0069 0.0108 789 GLU 77 CD -0.0000 -0.0082 0.0100 790 GLU 77 OE1 -0.0002 -0.0101 0.0107 791 GLU 77 OE2 -0.0014 -0.0072 0.0086 792 GLU 77 H 0.0056 -0.0055 0.0130 793 GLU 77 HA 0.0064 -0.0047 0.0133 794 GLU 77 HB2 0.0029 -0.0052 0.0109 795 GLU 77 HB3 0.0037 -0.0076 0.0125 796 GLU 77 HG2 0.0023 -0.0079 0.0116 797 GLU 77 HG3 0.0016 -0.0054 0.0100 798 PRO 78 N 0.0027 -0.0084 0.0127 799 PRO 78 CA 0.0003 -0.0024 0.0146 800 PRO 78 C -0.0061 -0.0017 0.0120 801 PRO 78 O -0.0086 -0.0039 0.0098 802 PRO 78 CB 0.0023 -0.0001 0.0166 803 PRO 78 CG 0.0070 -0.0044 0.0166 804 PRO 78 CD 0.0057 -0.0098 0.0133 805 PRO 78 HA 0.0019 -0.0005 0.0162 806 PRO 78 HB2 -0.0012 0.0007 0.0154 807 PRO 78 HB3 0.0037 0.0038 0.0192 808 PRO 78 HG2 0.0071 -0.0043 0.0167 809 PRO 78 HG3 0.0110 -0.0037 0.0187 810 PRO 78 HD2 0.0030 -0.0115 0.0113 811 PRO 78 HD3 0.0096 -0.0128 0.0136 812 TYR 79 N -0.0109 -0.0055 0.0157 813 TYR 79 CA -0.0081 -0.0038 0.0091 814 TYR 79 C 0.0029 -0.0021 -0.0058 815 TYR 79 O -0.0014 0.0055 -0.0181 816 TYR 79 CB -0.0226 0.0036 0.0077 817 TYR 79 CG -0.0326 0.0014 0.0229 818 TYR 79 CD1 -0.0435 0.0036 0.0292 819 TYR 79 CD2 -0.0309 -0.0031 0.0309 820 TYR 79 CE1 -0.0524 0.0014 0.0430 821 TYR 79 CE2 -0.0398 -0.0053 0.0447 822 TYR 79 CZ -0.0506 -0.0030 0.0508 823 TYR 79 OH -0.0595 -0.0052 0.0648 824 TYR 79 H -0.0068 -0.0116 0.0249 825 TYR 79 HA -0.0022 -0.0101 0.0168 826 TYR 79 HB2 -0.0291 0.0098 0.0009 827 TYR 79 HB3 -0.0196 0.0047 0.0024 828 TYR 79 HD1 -0.0449 0.0071 0.0230 829 TYR 79 HD2 -0.0225 -0.0048 0.0261 830 TYR 79 HE1 -0.0609 0.0032 0.0476 831 TYR 79 HE2 -0.0384 -0.0087 0.0508 832 TYR 79 HH -0.0526 -0.0115 0.0713 833 SER 80 N 0.0059 -0.0054 -0.0028 834 SER 80 CA 0.0060 -0.0044 -0.0022 835 SER 80 C 0.0099 -0.0048 -0.0047 836 SER 80 O 0.0127 -0.0051 -0.0065 837 SER 80 CB 0.0024 -0.0071 -0.0020 838 SER 80 OG 0.0021 -0.0062 -0.0012 839 SER 80 H 0.0053 -0.0081 -0.0043 840 SER 80 HA 0.0058 -0.0015 -0.0002 841 SER 80 HB2 -0.0002 -0.0070 -0.0003 842 SER 80 HB3 0.0027 -0.0100 -0.0040 843 SER 80 HG 0.0010 -0.0041 0.0009 844 GLN 81 N 0.0113 -0.0059 -0.0126 845 GLN 81 CA 0.0107 -0.0059 -0.0131 846 GLN 81 C 0.0099 -0.0055 -0.0161 847 GLN 81 O 0.0088 -0.0054 -0.0174 848 GLN 81 CB 0.0084 -0.0065 -0.0113 849 GLN 81 CG 0.0080 -0.0065 -0.0115 850 GLN 81 CD 0.0056 -0.0071 -0.0099 851 GLN 81 OE1 0.0035 -0.0074 -0.0096 852 GLN 81 NE2 0.0059 -0.0072 -0.0089 853 GLN 81 H 0.0100 -0.0063 -0.0115 854 GLN 81 HA 0.0126 -0.0057 -0.0127 855 GLN 81 HB2 0.0088 -0.0068 -0.0092 856 GLN 81 HB3 0.0065 -0.0066 -0.0120 857 GLN 81 HG2 0.0077 -0.0062 -0.0136 858 GLN 81 HG3 0.0099 -0.0064 -0.0107 859 GLN 81 HE21 0.0076 -0.0070 -0.0092 860 GLN 81 HE22 0.0043 -0.0076 -0.0079 861 GLU 82 N 0.0184 -0.0105 -0.0163 862 GLU 82 CA 0.0178 -0.0091 -0.0166 863 GLU 82 C 0.0196 -0.0110 -0.0194 864 GLU 82 O 0.0195 -0.0103 -0.0200 865 GLU 82 CB 0.0160 -0.0051 -0.0175 866 GLU 82 CG 0.0152 -0.0034 -0.0177 867 GLU 82 CD 0.0134 0.0004 -0.0184 868 GLU 82 OE1 0.0136 0.0019 -0.0216 869 GLU 82 OE2 0.0117 0.0021 -0.0157 870 GLU 82 H 0.0186 -0.0123 -0.0141 871 GLU 82 HA 0.0173 -0.0100 -0.0139 872 GLU 82 HB2 0.0147 -0.0041 -0.0153 873 GLU 82 HB3 0.0164 -0.0044 -0.0201 874 GLU 82 HG2 0.0163 -0.0043 -0.0200 875 GLU 82 HG3 0.0147 -0.0042 -0.0152 876 GLU 83 N 0.0261 -0.0199 -0.0247 877 GLU 83 CA 0.0200 -0.0179 -0.0192 878 GLU 83 C 0.0172 -0.0063 -0.0216 879 GLU 83 O 0.0180 -0.0035 -0.0237 880 GLU 83 CB 0.0132 -0.0217 -0.0104 881 GLU 83 CG 0.0064 -0.0199 -0.0040 882 GLU 83 CD 0.0005 -0.0249 0.0045 883 GLU 83 OE1 -0.0041 -0.0207 0.0075 884 GLU 83 OE2 0.0003 -0.0331 0.0085 885 GLU 83 H 0.0252 -0.0158 -0.0257 886 GLU 83 HA 0.0225 -0.0222 -0.0199 887 GLU 83 HB2 0.0155 -0.0299 -0.0090 888 GLU 83 HB3 0.0110 -0.0178 -0.0099 889 GLU 83 HG2 0.0037 -0.0117 -0.0049 890 GLU 83 HG3 0.0087 -0.0232 -0.0049 891 ALA 84 N 0.0124 -0.0090 -0.0163 892 ALA 84 CA 0.0103 -0.0018 -0.0180 893 ALA 84 C 0.0141 0.0009 -0.0241 894 ALA 84 O 0.0129 0.0067 -0.0261 895 ALA 84 CB 0.0058 0.0011 -0.0142 896 ALA 84 H 0.0124 -0.0109 -0.0151 897 ALA 84 HA 0.0095 -0.0007 -0.0177 898 ALA 84 HB1 0.0044 0.0064 -0.0157 899 ALA 84 HB2 0.0065 -0.0002 -0.0144 900 ALA 84 HB3 0.0031 -0.0006 -0.0100 901 GLU 85 N 0.0176 -0.0105 -0.0259 902 GLU 85 CA 0.0174 -0.0104 -0.0251 903 GLU 85 C 0.0163 -0.0108 -0.0266 904 GLU 85 O 0.0146 -0.0110 -0.0267 905 GLU 85 CB 0.0162 -0.0102 -0.0232 906 GLU 85 CG 0.0162 -0.0100 -0.0219 907 GLU 85 CD 0.0150 -0.0103 -0.0226 908 GLU 85 OE1 0.0132 -0.0104 -0.0222 909 GLU 85 OE2 0.0158 -0.0104 -0.0237 910 GLU 85 H 0.0169 -0.0108 -0.0271 911 GLU 85 HA 0.0188 -0.0102 -0.0248 912 GLU 85 HB2 0.0168 -0.0100 -0.0223 913 GLU 85 HB3 0.0147 -0.0104 -0.0235 914 GLU 85 HG2 0.0177 -0.0099 -0.0221 915 GLU 85 HG3 0.0159 -0.0098 -0.0205 916 ARG 86 N 0.0230 -0.0248 -0.0385 917 ARG 86 CA 0.0193 -0.0113 -0.0299 918 ARG 86 C 0.0087 -0.0130 -0.0165 919 ARG 86 O 0.0031 -0.0253 -0.0125 920 ARG 86 CB 0.0220 -0.0052 -0.0317 921 ARG 86 CG 0.0204 -0.0174 -0.0330 922 ARG 86 CD 0.0099 -0.0254 -0.0214 923 ARG 86 NE 0.0090 -0.0377 -0.0237 924 ARG 86 CZ 0.0012 -0.0487 -0.0164 925 ARG 86 NH1 -0.0069 -0.0487 -0.0057 926 ARG 86 NH2 0.0015 -0.0596 -0.0198 927 ARG 86 H 0.0200 -0.0345 -0.0372 928 ARG 86 HA 0.0231 -0.0027 -0.0325 929 ARG 86 HB2 0.0177 0.0030 -0.0238 930 ARG 86 HB3 0.0294 0.0005 -0.0399 931 ARG 86 HG2 0.0229 -0.0119 -0.0348 932 ARG 86 HG3 0.0245 -0.0259 -0.0408 933 ARG 86 HD2 0.0069 -0.0301 -0.0188 934 ARG 86 HD3 0.0059 -0.0171 -0.0140 935 ARG 86 HE 0.0149 -0.0377 -0.0314 936 ARG 86 HH11 -0.0076 -0.0408 -0.0027 937 ARG 86 HH12 -0.0129 -0.0568 -0.0002 938 ARG 86 HH21 0.0075 -0.0599 -0.0278 939 ARG 86 HH22 -0.0042 -0.0681 -0.0147 940 ALA 87 N -0.0006 -0.0043 -0.0203 941 ALA 87 CA -0.0137 -0.0036 -0.0119 942 ALA 87 C -0.0197 0.0082 -0.0014 943 ALA 87 O -0.0252 0.0164 0.0067 944 ALA 87 CB -0.0097 0.0003 -0.0121 945 ALA 87 H 0.0082 0.0036 -0.0212 946 ALA 87 HA -0.0215 -0.0143 -0.0132 947 ALA 87 HB1 -0.0016 0.0109 -0.0110 948 ALA 87 HB2 -0.0054 -0.0081 -0.0196 949 ALA 87 HB3 -0.0192 0.0011 -0.0057 950 ALA 88 N -0.0288 0.0096 -0.0004 951 ALA 88 CA -0.0327 0.0217 0.0058 952 ALA 88 C -0.0394 0.0079 0.0084 953 ALA 88 O -0.0310 0.0028 -0.0001 954 ALA 88 CB -0.0184 0.0364 -0.0032 955 ALA 88 H -0.0229 -0.0016 -0.0082 956 ALA 88 HA -0.0417 0.0304 0.0156 957 ALA 88 HB1 -0.0094 0.0279 -0.0131 958 ALA 88 HB2 -0.0138 0.0461 -0.0050 959 ALA 88 HB3 -0.0220 0.0456 0.0020 960 GLY 89 N -0.0702 -0.0348 0.0797 961 GLY 89 CA -0.2085 -0.0141 0.0804 962 GLY 89 C -0.0996 -0.0085 0.0439 963 GLY 89 O 0.0304 -0.0861 0.1383 964 GLY 89 H 0.0664 -0.0224 0.0252 965 GLY 89 HA2 -0.2902 -0.0784 0.2060 966 GLY 89 HA3 -0.3119 0.0617 -0.0176 967 MET 90 N 0.1531 0.0421 -0.0528 968 MET 90 CA 0.1160 0.0342 -0.0391 969 MET 90 C 0.1159 0.0650 -0.0666 970 MET 90 O 0.0886 0.0975 -0.0909 971 MET 90 CB 0.0602 0.0317 -0.0266 972 MET 90 CG 0.0203 0.0155 -0.0049 973 MET 90 SD 0.0042 0.0446 -0.0281 974 MET 90 CE -0.0454 0.0186 0.0043 975 MET 90 H 0.1826 0.0217 -0.0400 976 MET 90 HA 0.1309 0.0060 -0.0165 977 MET 90 HB2 0.0638 0.0128 -0.0103 978 MET 90 HB3 0.0443 0.0610 -0.0500 979 MET 90 HG2 0.0362 -0.0138 0.0185 980 MET 90 HG3 -0.0152 0.0132 0.0036 981 MET 90 HE1 -0.0292 -0.0115 0.0283 982 MET 90 HE2 -0.0592 0.0330 -0.0061 983 MET 90 HE3 -0.0774 0.0184 0.0103 984 GLY 91 N 0.0077 0.0170 -0.0014 985 GLY 91 CA -0.0115 0.0022 0.0343 986 GLY 91 C -0.0221 0.0132 0.0109 987 GLY 91 O -0.0675 0.0175 0.0069 988 GLY 91 H -0.0143 0.0307 -0.0293 989 GLY 91 HA2 0.0178 -0.0117 0.0619 990 GLY 91 HA3 -0.0479 -0.0030 0.0505 991 SER 92 N 0.0308 0.0295 -0.0449 992 SER 92 CA 0.0204 0.0112 -0.0220 993 SER 92 C -0.0089 0.0305 -0.0283 994 SER 92 O -0.0411 0.0459 -0.0295 995 SER 92 CB 0.0043 -0.0123 0.0084 996 SER 92 OG 0.0325 -0.0299 0.0135 997 SER 92 H 0.0105 0.0408 -0.0472 998 SER 92 HA 0.0465 -0.0004 -0.0220 999 SER 92 HB2 -0.0218 -0.0010 0.0087 1000 SER 92 HB3 -0.0021 -0.0270 0.0259 1001 SER 92 HG 0.0522 -0.0195 -0.0055 1002 TYR 93 N 0.0062 -0.0150 0.0113 1003 TYR 93 CA 0.0091 -0.0164 -0.0040 1004 TYR 93 C 0.0023 0.0019 -0.0368 1005 TYR 93 O -0.0079 0.0195 -0.0411 1006 TYR 93 CB -0.0013 -0.0044 0.0194 1007 TYR 93 CG 0.0024 -0.0083 0.0090 1008 TYR 93 CD1 0.0161 -0.0329 0.0191 1009 TYR 93 CD2 -0.0077 0.0126 -0.0106 1010 TYR 93 CE1 0.0198 -0.0369 0.0098 1011 TYR 93 CE2 -0.0041 0.0087 -0.0200 1012 TYR 93 CZ 0.0096 -0.0159 -0.0097 1013 TYR 93 OH 0.0132 -0.0198 -0.0192 1014 TYR 93 H -0.0061 0.0036 0.0187 1015 TYR 93 HA 0.0231 -0.0384 -0.0082 1016 TYR 93 HB2 0.0018 -0.0148 0.0439 1017 TYR 93 HB3 -0.0153 0.0182 0.0209 1018 TYR 93 HD1 0.0241 -0.0493 0.0345 1019 TYR 93 HD2 -0.0185 0.0320 -0.0187 1020 TYR 93 HE1 0.0306 -0.0563 0.0179 1021 TYR 93 HE2 -0.0121 0.0251 -0.0354 1022 TYR 93 HH 0.0137 -0.0155 -0.0430 1023 VAL 94 N 0.0061 -0.0068 -0.0311 1024 VAL 94 CA -0.0001 -0.0213 -0.0153 1025 VAL 94 C 0.0054 -0.0399 -0.0174 1026 VAL 94 O 0.0055 -0.0382 -0.0182 1027 VAL 94 CB -0.0127 -0.0117 0.0020 1028 VAL 94 CG1 -0.0146 -0.0015 0.0011 1029 VAL 94 CG2 -0.0189 -0.0272 0.0181 1030 VAL 94 H 0.0024 0.0067 -0.0302 1031 VAL 94 HA 0.0006 -0.0267 -0.0144 1032 VAL 94 HB -0.0162 -0.0002 0.0032 1033 VAL 94 HG11 -0.0233 0.0048 0.0132 1034 VAL 94 HG12 -0.0109 -0.0125 -0.0008 1035 VAL 94 HG13 -0.0107 0.0102 -0.0098 1036 VAL 94 HG21 -0.0154 -0.0392 0.0168 1037 VAL 94 HG22 -0.0276 -0.0202 0.0298 1038 VAL 94 HG23 -0.0183 -0.0331 0.0192