1 MET 1 N -0.0024 0.0018 0.0070 2 MET 1 CA -0.0005 0.0013 0.0069 3 MET 1 C 0.0000 0.0005 0.0045 4 MET 1 O 0.0019 -0.0001 0.0039 5 MET 1 CB -0.0010 0.0017 0.0081 6 MET 1 CG -0.0008 0.0022 0.0106 7 MET 1 SD -0.0029 0.0030 0.0115 8 MET 1 CE -0.0014 0.0032 0.0141 9 MET 1 H1 -0.0036 0.0024 0.0079 10 MET 1 H2 -0.0031 0.0016 0.0053 11 MET 1 H3 -0.0020 0.0018 0.0077 12 MET 1 HA 0.0009 0.0011 0.0078 13 MET 1 HB2 -0.0027 0.0020 0.0076 14 MET 1 HB3 0.0001 0.0012 0.0076 15 MET 1 HG2 -0.0009 0.0024 0.0114 16 MET 1 HG3 0.0008 0.0019 0.0111 17 MET 1 HE1 -0.0003 0.0030 0.0147 18 MET 1 HE2 -0.0026 0.0038 0.0153 19 MET 1 HE3 -0.0005 0.0028 0.0137 20 ASP 2 N -0.0017 0.0003 0.0032 21 ASP 2 CA -0.0014 0.0000 0.0012 22 ASP 2 C -0.0001 -0.0003 0.0006 23 ASP 2 O -0.0005 -0.0002 0.0005 24 ASP 2 CB -0.0031 0.0002 0.0001 25 ASP 2 CG -0.0044 0.0005 0.0006 26 ASP 2 OD1 -0.0048 0.0008 0.0022 27 ASP 2 OD2 -0.0050 0.0004 -0.0006 28 ASP 2 H -0.0030 0.0006 0.0036 29 ASP 2 HA -0.0008 -0.0001 0.0010 30 ASP 2 HB2 -0.0037 0.0004 0.0005 31 ASP 2 HB3 -0.0029 -0.0000 -0.0013 32 VAL 3 N 0.0015 -0.0006 0.0006 33 VAL 3 CA 0.0028 -0.0010 0.0000 34 VAL 3 C 0.0021 -0.0011 -0.0016 35 VAL 3 O 0.0027 -0.0014 -0.0021 36 VAL 3 CB 0.0044 -0.0015 -0.0004 37 VAL 3 CG1 0.0057 -0.0020 -0.0010 38 VAL 3 CG2 0.0051 -0.0015 0.0012 39 VAL 3 H 0.0019 -0.0007 0.0009 40 VAL 3 HA 0.0030 -0.0010 0.0010 41 VAL 3 HB 0.0042 -0.0016 -0.0014 42 VAL 3 HG11 0.0058 -0.0019 -0.0001 43 VAL 3 HG12 0.0054 -0.0021 -0.0023 44 VAL 3 HG13 0.0070 -0.0023 -0.0010 45 VAL 3 HG21 0.0064 -0.0019 0.0011 46 VAL 3 HG22 0.0044 -0.0012 0.0015 47 VAL 3 HG23 0.0051 -0.0013 0.0023 48 PHE 4 N 0.0008 -0.0006 -0.0023 49 PHE 4 CA 0.0001 -0.0006 -0.0037 50 PHE 4 C -0.0008 -0.0004 -0.0030 51 PHE 4 O -0.0005 -0.0005 -0.0035 52 PHE 4 CB -0.0011 -0.0006 -0.0049 53 PHE 4 CG -0.0001 -0.0007 -0.0058 54 PHE 4 CD1 0.0006 -0.0009 -0.0074 55 PHE 4 CD2 0.0001 -0.0007 -0.0051 56 PHE 4 CE1 0.0016 -0.0011 -0.0083 57 PHE 4 CE2 0.0010 -0.0009 -0.0060 58 PHE 4 CZ 0.0018 -0.0011 -0.0076 59 PHE 4 H 0.0002 -0.0005 -0.0020 60 PHE 4 HA 0.0012 -0.0008 -0.0045 61 PHE 4 HB2 -0.0020 -0.0004 -0.0041 62 PHE 4 HB3 -0.0017 -0.0006 -0.0058 63 PHE 4 HD1 0.0005 -0.0010 -0.0079 64 PHE 4 HD2 -0.0004 -0.0006 -0.0039 65 PHE 4 HE1 0.0021 -0.0013 -0.0095 66 PHE 4 HE2 0.0012 -0.0009 -0.0055 67 PHE 4 HZ 0.0025 -0.0012 -0.0083 68 MET 5 N -0.0018 -0.0002 -0.0020 69 MET 5 CA -0.0026 -0.0000 -0.0014 70 MET 5 C -0.0015 -0.0002 -0.0010 71 MET 5 O -0.0016 -0.0002 -0.0014 72 MET 5 CB -0.0035 0.0002 -0.0001 73 MET 5 CG -0.0049 0.0004 -0.0006 74 MET 5 SD -0.0061 0.0006 -0.0014 75 MET 5 CE -0.0073 0.0008 -0.0022 76 MET 5 H -0.0020 -0.0001 -0.0016 77 MET 5 HA -0.0033 0.0001 -0.0023 78 MET 5 HB2 -0.0028 0.0001 0.0006 79 MET 5 HB3 -0.0037 0.0003 0.0006 80 MET 5 HG2 -0.0046 0.0003 -0.0013 81 MET 5 HG3 -0.0054 0.0005 0.0004 82 MET 5 HE1 -0.0071 0.0007 -0.0034 83 MET 5 HE2 -0.0084 0.0010 -0.0022 84 MET 5 HE3 -0.0073 0.0008 -0.0017 85 LYS 6 N -0.0008 -0.0002 -0.0008 86 LYS 6 CA 0.0003 -0.0005 -0.0004 87 LYS 6 C 0.0009 -0.0009 -0.0020 88 LYS 6 O 0.0006 -0.0009 -0.0023 89 LYS 6 CB 0.0018 -0.0008 0.0006 90 LYS 6 CG 0.0014 -0.0004 0.0025 91 LYS 6 CD 0.0029 -0.0007 0.0035 92 LYS 6 CE 0.0025 -0.0003 0.0053 93 LYS 6 NZ 0.0025 -0.0002 0.0061 94 LYS 6 H -0.0006 -0.0002 -0.0003 95 LYS 6 HA -0.0003 -0.0002 0.0003 96 LYS 6 HB2 0.0023 -0.0010 0.0001 97 LYS 6 HB3 0.0028 -0.0011 0.0006 98 LYS 6 HG2 0.0010 -0.0002 0.0030 99 LYS 6 HG3 0.0004 -0.0001 0.0025 100 LYS 6 HD2 0.0033 -0.0009 0.0030 101 LYS 6 HD3 0.0039 -0.0010 0.0033 102 LYS 6 HE2 0.0014 0.0001 0.0054 103 LYS 6 HE3 0.0035 -0.0005 0.0060 104 LYS 6 HZ1 0.0026 -0.0003 0.0052 105 LYS 6 HZ2 0.0035 -0.0003 0.0070 106 LYS 6 HZ3 0.0014 0.0003 0.0067 107 GLY 7 N 0.0012 -0.0008 -0.0022 108 GLY 7 CA 0.0013 -0.0011 -0.0029 109 GLY 7 C 0.0006 -0.0010 -0.0033 110 GLY 7 O 0.0006 -0.0012 -0.0036 111 GLY 7 H 0.0013 -0.0009 -0.0021 112 GLY 7 HA2 0.0017 -0.0012 -0.0027 113 GLY 7 HA3 0.0016 -0.0013 -0.0032 114 LEU 8 N -0.0003 -0.0005 -0.0032 115 LEU 8 CA -0.0007 -0.0003 -0.0036 116 LEU 8 C -0.0006 -0.0005 -0.0031 117 LEU 8 O -0.0003 -0.0004 -0.0035 118 LEU 8 CB -0.0016 -0.0001 -0.0036 119 LEU 8 CG -0.0020 0.0002 -0.0042 120 LEU 8 CD1 -0.0020 0.0004 -0.0050 121 LEU 8 CD2 -0.0030 0.0003 -0.0040 122 LEU 8 H -0.0006 -0.0006 -0.0029 123 LEU 8 HA -0.0005 -0.0002 -0.0042 124 LEU 8 HB2 -0.0017 -0.0000 -0.0038 125 LEU 8 HB3 -0.0019 -0.0002 -0.0030 126 LEU 8 HG -0.0017 0.0001 -0.0042 127 LEU 8 HD11 -0.0023 0.0005 -0.0050 128 LEU 8 HD12 -0.0013 0.0004 -0.0052 129 LEU 8 HD13 -0.0022 0.0006 -0.0055 130 LEU 8 HD21 -0.0033 0.0003 -0.0039 131 LEU 8 HD22 -0.0032 0.0005 -0.0044 132 LEU 8 HD23 -0.0030 0.0001 -0.0034 133 SER 9 N -0.0004 -0.0004 -0.0027 134 SER 9 CA -0.0002 -0.0006 -0.0028 135 SER 9 C -0.0000 -0.0009 -0.0030 136 SER 9 O 0.0002 -0.0010 -0.0032 137 SER 9 CB -0.0004 -0.0008 -0.0026 138 SER 9 OG -0.0002 -0.0010 -0.0027 139 SER 9 H -0.0006 -0.0005 -0.0025 140 SER 9 HA -0.0002 -0.0004 -0.0030 141 SER 9 HB2 -0.0005 -0.0006 -0.0026 142 SER 9 HB3 -0.0005 -0.0009 -0.0024 143 SER 9 HG -0.0001 -0.0009 -0.0029 144 LYS 10 N 0.0001 -0.0005 -0.0027 145 LYS 10 CA -0.0000 -0.0007 -0.0029 146 LYS 10 C -0.0001 -0.0009 -0.0030 147 LYS 10 O -0.0003 -0.0009 -0.0032 148 LYS 10 CB 0.0000 -0.0010 -0.0027 149 LYS 10 CG -0.0001 -0.0012 -0.0028 150 LYS 10 CD -0.0001 -0.0014 -0.0026 151 LYS 10 CE -0.0003 -0.0016 -0.0028 152 LYS 10 NZ -0.0003 -0.0014 -0.0029 153 LYS 10 H 0.0002 -0.0006 -0.0026 154 LYS 10 HA -0.0001 -0.0007 -0.0030 155 LYS 10 HB2 0.0001 -0.0009 -0.0026 156 LYS 10 HB3 0.0000 -0.0011 -0.0026 157 LYS 10 HG2 -0.0002 -0.0013 -0.0029 158 LYS 10 HG3 -0.0002 -0.0011 -0.0029 159 LYS 10 HD2 -0.0000 -0.0013 -0.0026 160 LYS 10 HD3 -0.0001 -0.0015 -0.0025 161 LYS 10 HE2 -0.0002 -0.0017 -0.0026 162 LYS 10 HE3 -0.0004 -0.0016 -0.0029 163 LYS 10 HZ1 -0.0002 -0.0012 -0.0029 164 LYS 10 HZ2 -0.0004 -0.0015 -0.0030 165 LYS 10 HZ3 -0.0002 -0.0015 -0.0028 166 ALA 11 N -0.0000 -0.0002 -0.0028 167 ALA 11 CA 0.0001 -0.0001 -0.0025 168 ALA 11 C 0.0002 -0.0004 -0.0022 169 ALA 11 O 0.0004 -0.0003 -0.0018 170 ALA 11 CB 0.0000 -0.0001 -0.0027 171 ALA 11 H -0.0001 -0.0003 -0.0031 172 ALA 11 HA 0.0001 0.0002 -0.0024 173 ALA 11 HB1 0.0000 -0.0004 -0.0028 174 ALA 11 HB2 -0.0001 0.0001 -0.0029 175 ALA 11 HB3 0.0001 0.0001 -0.0025 176 LYS 12 N 0.0008 -0.0005 -0.0020 177 LYS 12 CA 0.0014 -0.0008 -0.0019 178 LYS 12 C 0.0014 -0.0009 -0.0021 179 LYS 12 O 0.0018 -0.0010 -0.0019 180 LYS 12 CB 0.0017 -0.0012 -0.0023 181 LYS 12 CG 0.0023 -0.0015 -0.0022 182 LYS 12 CD 0.0026 -0.0019 -0.0025 183 LYS 12 CE 0.0027 -0.0018 -0.0023 184 LYS 12 NZ 0.0030 -0.0022 -0.0025 185 LYS 12 H 0.0006 -0.0006 -0.0023 186 LYS 12 HA 0.0017 -0.0006 -0.0015 187 LYS 12 HB2 0.0016 -0.0011 -0.0022 188 LYS 12 HB3 0.0014 -0.0014 -0.0027 189 LYS 12 HG2 0.0024 -0.0016 -0.0022 190 LYS 12 HG3 0.0025 -0.0013 -0.0017 191 LYS 12 HD2 0.0023 -0.0021 -0.0029 192 LYS 12 HD3 0.0030 -0.0021 -0.0025 193 LYS 12 HE2 0.0029 -0.0016 -0.0018 194 LYS 12 HE3 0.0022 -0.0016 -0.0023 195 LYS 12 HZ1 0.0032 -0.0025 -0.0027 196 LYS 12 HZ2 0.0028 -0.0022 -0.0028 197 LYS 12 HZ3 0.0034 -0.0022 -0.0022 198 GLU 13 N 0.0004 -0.0008 -0.0030 199 GLU 13 CA -0.0001 -0.0006 -0.0035 200 GLU 13 C -0.0007 -0.0007 -0.0031 201 GLU 13 O -0.0010 -0.0006 -0.0033 202 GLU 13 CB -0.0005 -0.0005 -0.0041 203 GLU 13 CG -0.0010 -0.0004 -0.0047 204 GLU 13 CD -0.0014 -0.0002 -0.0053 205 GLU 13 OE1 -0.0011 -0.0002 -0.0053 206 GLU 13 OE2 -0.0019 -0.0001 -0.0057 207 GLU 13 H 0.0004 -0.0008 -0.0030 208 GLU 13 HA 0.0003 -0.0006 -0.0039 209 GLU 13 HB2 -0.0001 -0.0005 -0.0044 210 GLU 13 HB3 -0.0009 -0.0005 -0.0038 211 GLU 13 HG2 -0.0014 -0.0004 -0.0044 212 GLU 13 HG3 -0.0006 -0.0003 -0.0050 213 GLY 14 N -0.0012 -0.0002 -0.0022 214 GLY 14 CA -0.0021 0.0001 -0.0011 215 GLY 14 C -0.0013 -0.0003 0.0000 216 GLY 14 O -0.0016 -0.0002 0.0005 217 GLY 14 H -0.0010 -0.0003 -0.0022 218 GLY 14 HA2 -0.0028 0.0003 -0.0016 219 GLY 14 HA3 -0.0027 0.0002 -0.0006 220 VAL 15 N -0.0003 -0.0000 0.0006 221 VAL 15 CA 0.0007 -0.0003 0.0018 222 VAL 15 C 0.0014 -0.0007 0.0014 223 VAL 15 O 0.0018 -0.0007 0.0023 224 VAL 15 CB 0.0017 -0.0007 0.0020 225 VAL 15 CG1 0.0028 -0.0010 0.0031 226 VAL 15 CG2 0.0010 -0.0003 0.0025 227 VAL 15 H -0.0003 -0.0001 0.0002 228 VAL 15 HA 0.0003 0.0001 0.0028 229 VAL 15 HB 0.0021 -0.0011 0.0010 230 VAL 15 HG11 0.0034 -0.0014 0.0027 231 VAL 15 HG12 0.0033 -0.0012 0.0034 232 VAL 15 HG13 0.0023 -0.0006 0.0040 233 VAL 15 HG21 0.0007 0.0000 0.0035 234 VAL 15 HG22 0.0016 -0.0006 0.0025 235 VAL 15 HG23 0.0001 -0.0000 0.0017 236 VAL 16 N 0.0018 -0.0007 -0.0002 237 VAL 16 CA 0.0027 -0.0011 -0.0012 238 VAL 16 C 0.0015 -0.0009 -0.0015 239 VAL 16 O 0.0019 -0.0009 -0.0012 240 VAL 16 CB 0.0032 -0.0015 -0.0028 241 VAL 16 CG1 0.0040 -0.0018 -0.0039 242 VAL 16 CG2 0.0046 -0.0016 -0.0025 243 VAL 16 H 0.0015 -0.0008 -0.0008 244 VAL 16 HA 0.0038 -0.0011 -0.0004 245 VAL 16 HB 0.0022 -0.0014 -0.0035 246 VAL 16 HG11 0.0048 -0.0018 -0.0032 247 VAL 16 HG12 0.0029 -0.0017 -0.0044 248 VAL 16 HG13 0.0046 -0.0021 -0.0050 249 VAL 16 HG21 0.0049 -0.0019 -0.0037 250 VAL 16 HG22 0.0041 -0.0014 -0.0017 251 VAL 16 HG23 0.0057 -0.0017 -0.0019 252 ALA 17 N -0.0004 -0.0006 -0.0025 253 ALA 17 CA -0.0022 -0.0004 -0.0030 254 ALA 17 C -0.0028 -0.0003 -0.0009 255 ALA 17 O -0.0033 -0.0003 -0.0011 256 ALA 17 CB -0.0043 -0.0002 -0.0037 257 ALA 17 H -0.0006 -0.0006 -0.0026 258 ALA 17 HA -0.0018 -0.0005 -0.0043 259 ALA 17 HB1 -0.0040 -0.0003 -0.0054 260 ALA 17 HB2 -0.0057 -0.0001 -0.0038 261 ALA 17 HB3 -0.0046 -0.0002 -0.0025 262 ALA 18 N -0.0030 0.0002 0.0012 263 ALA 18 CA -0.0036 0.0005 0.0038 264 ALA 18 C -0.0013 0.0001 0.0046 265 ALA 18 O -0.0017 0.0002 0.0059 266 ALA 18 CB -0.0039 0.0007 0.0059 267 ALA 18 H -0.0027 0.0001 0.0011 268 ALA 18 HA -0.0053 0.0009 0.0037 269 ALA 18 HB1 -0.0020 0.0003 0.0062 270 ALA 18 HB2 -0.0053 0.0010 0.0053 271 ALA 18 HB3 -0.0045 0.0010 0.0078 272 ALA 19 N 0.0011 0.0001 0.0040 273 ALA 19 CA 0.0036 -0.0002 0.0046 274 ALA 19 C 0.0035 -0.0004 0.0029 275 ALA 19 O 0.0038 -0.0003 0.0040 276 ALA 19 CB 0.0061 -0.0006 0.0037 277 ALA 19 H 0.0012 -0.0001 0.0032 278 ALA 19 HA 0.0038 0.0002 0.0067 279 ALA 19 HB1 0.0079 -0.0008 0.0039 280 ALA 19 HB2 0.0058 -0.0009 0.0017 281 ALA 19 HB3 0.0063 -0.0004 0.0050 282 GLU 20 N 0.0028 -0.0007 0.0001 283 GLU 20 CA 0.0027 -0.0010 -0.0019 284 GLU 20 C 0.0007 -0.0007 -0.0008 285 GLU 20 O 0.0012 -0.0008 -0.0009 286 GLU 20 CB 0.0017 -0.0014 -0.0047 287 GLU 20 CG 0.0040 -0.0017 -0.0060 288 GLU 20 CD 0.0029 -0.0021 -0.0087 289 GLU 20 OE1 0.0006 -0.0021 -0.0095 290 GLU 20 OE2 0.0044 -0.0023 -0.0100 291 GLU 20 H 0.0026 -0.0008 -0.0006 292 GLU 20 HA 0.0048 -0.0011 -0.0021 293 GLU 20 HB2 -0.0002 -0.0013 -0.0045 294 GLU 20 HB3 0.0014 -0.0016 -0.0061 295 GLU 20 HG2 0.0058 -0.0018 -0.0063 296 GLU 20 HG3 0.0044 -0.0015 -0.0046 297 LYS 21 N -0.0015 -0.0005 -0.0002 298 LYS 21 CA -0.0041 -0.0003 0.0012 299 LYS 21 C -0.0028 0.0001 0.0045 300 LYS 21 O -0.0027 0.0001 0.0048 301 LYS 21 CB -0.0074 -0.0001 0.0018 302 LYS 21 CG -0.0104 0.0001 0.0021 303 LYS 21 CD -0.0137 0.0003 0.0025 304 LYS 21 CE -0.0167 0.0004 0.0027 305 LYS 21 NZ -0.0199 0.0006 0.0030 306 LYS 21 H -0.0019 -0.0005 -0.0001 307 LYS 21 HA -0.0046 -0.0005 -0.0007 308 LYS 21 HB2 -0.0079 -0.0003 -0.0002 309 LYS 21 HB3 -0.0071 0.0002 0.0042 310 LYS 21 HG2 -0.0100 0.0004 0.0043 311 LYS 21 HG3 -0.0105 -0.0002 -0.0001 312 LYS 21 HD2 -0.0140 -0.0000 0.0003 313 LYS 21 HD3 -0.0136 0.0005 0.0047 314 LYS 21 HE2 -0.0164 0.0007 0.0049 315 LYS 21 HE3 -0.0168 0.0001 0.0005 316 LYS 21 HZ1 -0.0203 0.0009 0.0055 317 LYS 21 HZ2 -0.0198 0.0004 0.0014 318 LYS 21 HZ3 -0.0220 0.0005 0.0022 319 THR 22 N -0.0023 0.0002 0.0066 320 THR 22 CA -0.0012 0.0005 0.0096 321 THR 22 C 0.0016 0.0005 0.0088 322 THR 22 O 0.0020 0.0007 0.0103 323 THR 22 CB -0.0001 0.0008 0.0119 324 THR 22 OG1 -0.0024 0.0008 0.0121 325 THR 22 CG2 0.0005 0.0011 0.0152 326 THR 22 H -0.0024 0.0002 0.0064 327 THR 22 HA -0.0031 0.0006 0.0106 328 THR 22 HB 0.0022 0.0008 0.0110 329 THR 22 HG1 -0.0032 0.0010 0.0142 330 THR 22 HG21 0.0025 0.0012 0.0150 331 THR 22 HG22 0.0010 0.0013 0.0169 332 THR 22 HG23 -0.0016 0.0012 0.0159 333 LYS 23 N 0.0030 0.0005 0.0065 334 LYS 23 CA 0.0058 0.0005 0.0055 335 LYS 23 C 0.0045 0.0003 0.0037 336 LYS 23 O 0.0059 0.0004 0.0037 337 LYS 23 CB 0.0082 0.0005 0.0033 338 LYS 23 CG 0.0113 0.0006 0.0025 339 LYS 23 CD 0.0137 0.0006 0.0004 340 LYS 23 CE 0.0168 0.0007 -0.0003 341 LYS 23 NZ 0.0192 0.0006 -0.0024 342 LYS 23 H 0.0027 0.0003 0.0054 343 LYS 23 HA 0.0072 0.0008 0.0077 344 LYS 23 HB2 0.0090 0.0006 0.0045 345 LYS 23 HB3 0.0070 0.0002 0.0010 346 LYS 23 HG2 0.0105 0.0005 0.0012 347 LYS 23 HG3 0.0125 0.0008 0.0048 348 LYS 23 HD2 0.0145 0.0007 0.0016 349 LYS 23 HD3 0.0125 0.0003 -0.0020 350 LYS 23 HE2 0.0160 0.0005 -0.0017 351 LYS 23 HE3 0.0179 0.0009 0.0020 352 LYS 23 HZ1 0.0188 0.0004 -0.0049 353 LYS 23 HZ2 0.0190 0.0007 -0.0019 354 LYS 23 HZ3 0.0216 0.0008 -0.0018 355 GLN 24 N 0.0022 -0.0000 0.0027 356 GLN 24 CA 0.0013 -0.0003 0.0012 357 GLN 24 C -0.0001 -0.0000 0.0031 358 GLN 24 O -0.0002 -0.0001 0.0027 359 GLN 24 CB -0.0006 -0.0008 -0.0009 360 GLN 24 CG -0.0013 -0.0012 -0.0026 361 GLN 24 CD -0.0031 -0.0017 -0.0049 362 GLN 24 OE1 -0.0033 -0.0019 -0.0055 363 GLN 24 NE2 -0.0044 -0.0020 -0.0062 364 GLN 24 H 0.0011 -0.0001 0.0027 365 GLN 24 HA 0.0030 -0.0004 0.0004 366 GLN 24 HB2 0.0003 -0.0010 -0.0022 367 GLN 24 HB3 -0.0024 -0.0007 -0.0001 368 GLN 24 HG2 -0.0024 -0.0010 -0.0014 369 GLN 24 HG3 0.0005 -0.0013 -0.0034 370 GLN 24 HE21 -0.0042 -0.0019 -0.0057 371 GLN 24 HE22 -0.0055 -0.0024 -0.0077 372 GLY 25 N -0.0009 -0.0002 0.0054 373 GLY 25 CA -0.0022 -0.0004 0.0068 374 GLY 25 C -0.0006 0.0001 0.0077 375 GLY 25 O -0.0010 -0.0000 0.0075 376 GLY 25 H -0.0007 -0.0001 0.0059 377 GLY 25 HA2 -0.0035 -0.0008 0.0058 378 GLY 25 HA3 -0.0030 -0.0004 0.0083 379 VAL 26 N 0.0011 0.0001 0.0088 380 VAL 26 CA 0.0027 0.0007 0.0097 381 VAL 26 C 0.0034 0.0010 0.0071 382 VAL 26 O 0.0037 0.0011 0.0073 383 VAL 26 CB 0.0052 0.0015 0.0111 384 VAL 26 CG1 0.0045 0.0012 0.0139 385 VAL 26 CG2 0.0065 0.0020 0.0092 386 VAL 26 H 0.0017 0.0003 0.0092 387 VAL 26 HA 0.0016 0.0003 0.0111 388 VAL 26 HB 0.0065 0.0019 0.0115 389 VAL 26 HG11 0.0034 0.0008 0.0151 390 VAL 26 HG12 0.0063 0.0017 0.0149 391 VAL 26 HG13 0.0033 0.0008 0.0135 392 VAL 26 HG21 0.0052 0.0016 0.0088 393 VAL 26 HG22 0.0083 0.0026 0.0103 394 VAL 26 HG23 0.0071 0.0022 0.0073 395 ALA 27 N 0.0030 0.0008 0.0054 396 ALA 27 CA 0.0034 0.0012 0.0036 397 ALA 27 C 0.0016 0.0007 0.0032 398 ALA 27 O 0.0019 0.0008 0.0030 399 ALA 27 CB 0.0036 0.0016 0.0018 400 ALA 27 H 0.0030 0.0008 0.0054 401 ALA 27 HA 0.0047 0.0016 0.0038 402 ALA 27 HB1 0.0025 0.0012 0.0018 403 ALA 27 HB2 0.0050 0.0020 0.0019 404 ALA 27 HB3 0.0034 0.0017 0.0004 405 GLU 28 N 0.0008 0.0001 0.0035 406 GLU 28 CA -0.0003 -0.0004 0.0031 407 GLU 28 C -0.0005 -0.0007 0.0041 408 GLU 28 O -0.0009 -0.0008 0.0038 409 GLU 28 CB -0.0014 -0.0009 0.0029 410 GLU 28 CG -0.0013 -0.0006 0.0018 411 GLU 28 CD -0.0023 -0.0011 0.0017 412 GLU 28 OE1 -0.0030 -0.0017 0.0025 413 GLU 28 OE2 -0.0024 -0.0010 0.0009 414 GLU 28 H 0.0007 0.0000 0.0037 415 GLU 28 HA -0.0002 -0.0001 0.0021 416 GLU 28 HB2 -0.0014 -0.0011 0.0038 417 GLU 28 HB3 -0.0022 -0.0013 0.0028 418 GLU 28 HG2 -0.0013 -0.0005 0.0009 419 GLU 28 HG3 -0.0005 -0.0002 0.0019 420 ALA 29 N -0.0003 -0.0012 0.0046 421 ALA 29 CA -0.0005 -0.0017 0.0046 422 ALA 29 C -0.0006 -0.0008 0.0037 423 ALA 29 O -0.0010 -0.0013 0.0029 424 ALA 29 CB -0.0001 -0.0019 0.0059 425 ALA 29 H 0.0000 -0.0009 0.0054 426 ALA 29 HA -0.0010 -0.0027 0.0042 427 ALA 29 HB1 0.0001 -0.0023 0.0066 428 ALA 29 HB2 -0.0002 -0.0025 0.0060 429 ALA 29 HB3 0.0003 -0.0009 0.0062 430 ALA 30 N -0.0002 -0.0003 0.0035 431 ALA 30 CA -0.0007 0.0003 0.0028 432 ALA 30 C -0.0017 0.0003 0.0018 433 ALA 30 O -0.0024 -0.0003 0.0012 434 ALA 30 CB -0.0001 0.0018 0.0030 435 ALA 30 H 0.0004 0.0002 0.0040 436 ALA 30 HA -0.0006 -0.0003 0.0030 437 ALA 30 HB1 -0.0001 0.0023 0.0029 438 ALA 30 HB2 0.0006 0.0017 0.0037 439 ALA 30 HB3 -0.0005 0.0022 0.0024 440 GLY 31 N -0.0018 0.0003 0.0023 441 GLY 31 CA -0.0025 0.0005 0.0021 442 GLY 31 C -0.0022 -0.0004 0.0016 443 GLY 31 O -0.0029 -0.0006 0.0012 444 GLY 31 H -0.0013 0.0007 0.0028 445 GLY 31 HA2 -0.0033 0.0007 0.0018 446 GLY 31 HA3 -0.0023 0.0011 0.0026 447 LYS 32 N -0.0019 -0.0016 0.0019 448 LYS 32 CA -0.0012 -0.0022 0.0012 449 LYS 32 C -0.0015 -0.0022 0.0001 450 LYS 32 O -0.0013 -0.0024 -0.0005 451 LYS 32 CB -0.0005 -0.0026 0.0016 452 LYS 32 CG 0.0003 -0.0032 0.0012 453 LYS 32 CD 0.0010 -0.0036 0.0017 454 LYS 32 CE 0.0019 -0.0042 0.0013 455 LYS 32 NZ 0.0019 -0.0044 0.0002 456 LYS 32 H -0.0020 -0.0015 0.0023 457 LYS 32 HA -0.0009 -0.0024 0.0013 458 LYS 32 HB2 -0.0004 -0.0025 0.0024 459 LYS 32 HB3 -0.0007 -0.0025 0.0013 460 LYS 32 HG2 0.0003 -0.0033 0.0004 461 LYS 32 HG3 0.0005 -0.0033 0.0014 462 LYS 32 HD2 0.0010 -0.0034 0.0025 463 LYS 32 HD3 0.0009 -0.0036 0.0014 464 LYS 32 HE2 0.0020 -0.0042 0.0016 465 LYS 32 HE3 0.0024 -0.0045 0.0017 466 LYS 32 HZ1 0.0023 -0.0047 0.0000 467 LYS 32 HZ2 0.0013 -0.0041 -0.0001 468 LYS 32 HZ3 0.0021 -0.0046 0.0000 469 THR 33 N -0.0016 -0.0022 0.0001 470 THR 33 CA -0.0022 -0.0025 -0.0013 471 THR 33 C -0.0033 -0.0019 -0.0021 472 THR 33 O -0.0037 -0.0023 -0.0033 473 THR 33 CB -0.0025 -0.0021 -0.0011 474 THR 33 OG1 -0.0015 -0.0025 -0.0002 475 THR 33 CG2 -0.0029 -0.0026 -0.0025 476 THR 33 H -0.0015 -0.0018 0.0009 477 THR 33 HA -0.0016 -0.0034 -0.0019 478 THR 33 HB -0.0032 -0.0012 -0.0007 479 THR 33 HG1 -0.0012 -0.0023 0.0006 480 THR 33 HG21 -0.0030 -0.0024 -0.0024 481 THR 33 HG22 -0.0023 -0.0035 -0.0030 482 THR 33 HG23 -0.0037 -0.0022 -0.0031 483 LYS 34 N -0.0038 -0.0015 -0.0016 484 LYS 34 CA -0.0052 -0.0011 -0.0017 485 LYS 34 C -0.0045 -0.0015 -0.0022 486 LYS 34 O -0.0054 -0.0016 -0.0030 487 LYS 34 CB -0.0058 -0.0003 0.0000 488 LYS 34 CG -0.0075 0.0002 -0.0002 489 LYS 34 CD -0.0082 0.0010 0.0015 490 LYS 34 CE -0.0099 0.0015 0.0013 491 LYS 34 NZ -0.0111 0.0014 0.0003 492 LYS 34 H -0.0034 -0.0012 -0.0005 493 LYS 34 HA -0.0062 -0.0012 -0.0025 494 LYS 34 HB2 -0.0059 -0.0000 0.0005 495 LYS 34 HB3 -0.0050 -0.0002 0.0008 496 LYS 34 HG2 -0.0074 -0.0000 -0.0006 497 LYS 34 HG3 -0.0084 0.0001 -0.0010 498 LYS 34 HD2 -0.0083 0.0012 0.0019 499 LYS 34 HD3 -0.0073 0.0011 0.0023 500 LYS 34 HE2 -0.0103 0.0021 0.0025 501 LYS 34 HE3 -0.0098 0.0012 0.0008 502 LYS 34 HZ1 -0.0121 0.0016 -0.0001 503 LYS 34 HZ2 -0.0115 0.0018 0.0009 504 LYS 34 HZ3 -0.0106 0.0009 -0.0007 505 GLU 35 N -0.0032 -0.0020 -0.0019 506 GLU 35 CA -0.0023 -0.0024 -0.0023 507 GLU 35 C -0.0018 -0.0028 -0.0037 508 GLU 35 O -0.0014 -0.0031 -0.0044 509 GLU 35 CB -0.0012 -0.0026 -0.0012 510 GLU 35 CG -0.0003 -0.0030 -0.0017 511 GLU 35 CD 0.0008 -0.0033 -0.0006 512 GLU 35 OE1 0.0017 -0.0037 -0.0005 513 GLU 35 OE2 0.0006 -0.0031 0.0002 514 GLU 35 H -0.0028 -0.0020 -0.0012 515 GLU 35 HA -0.0029 -0.0022 -0.0024 516 GLU 35 HB2 -0.0016 -0.0024 -0.0003 517 GLU 35 HB3 -0.0006 -0.0029 -0.0012 518 GLU 35 HG2 0.0001 -0.0033 -0.0026 519 GLU 35 HG3 -0.0009 -0.0028 -0.0018 520 GLY 36 N -0.0017 -0.0030 -0.0040 521 GLY 36 CA -0.0011 -0.0034 -0.0056 522 GLY 36 C -0.0019 -0.0032 -0.0070 523 GLY 36 O -0.0012 -0.0036 -0.0080 524 GLY 36 H -0.0022 -0.0027 -0.0032 525 GLY 36 HA2 0.0001 -0.0039 -0.0056 526 GLY 36 HA3 -0.0013 -0.0033 -0.0057 527 VAL 37 N -0.0033 -0.0031 -0.0075 528 VAL 37 CA -0.0044 -0.0031 -0.0088 529 VAL 37 C -0.0041 -0.0031 -0.0084 530 VAL 37 O -0.0042 -0.0032 -0.0095 531 VAL 37 CB -0.0063 -0.0026 -0.0086 532 VAL 37 CG1 -0.0066 -0.0026 -0.0091 533 VAL 37 CG2 -0.0068 -0.0022 -0.0067 534 VAL 37 H -0.0039 -0.0028 -0.0068 535 VAL 37 HA -0.0040 -0.0034 -0.0101 536 VAL 37 HB -0.0071 -0.0026 -0.0095 537 VAL 37 HG11 -0.0080 -0.0024 -0.0093 538 VAL 37 HG12 -0.0061 -0.0026 -0.0080 539 VAL 37 HG13 -0.0060 -0.0030 -0.0103 540 VAL 37 HG21 -0.0067 -0.0022 -0.0064 541 VAL 37 HG22 -0.0060 -0.0022 -0.0058 542 VAL 37 HG23 -0.0082 -0.0019 -0.0066 543 LEU 38 N -0.0036 -0.0027 -0.0066 544 LEU 38 CA -0.0032 -0.0027 -0.0061 545 LEU 38 C -0.0015 -0.0030 -0.0063 546 LEU 38 O -0.0006 -0.0031 -0.0057 547 LEU 38 CB -0.0036 -0.0025 -0.0045 548 LEU 38 CG -0.0034 -0.0025 -0.0040 549 LEU 38 CD1 -0.0048 -0.0023 -0.0045 550 LEU 38 CD2 -0.0032 -0.0024 -0.0023 551 LEU 38 H -0.0036 -0.0026 -0.0059 552 LEU 38 HA -0.0038 -0.0027 -0.0068 553 LEU 38 HB2 -0.0047 -0.0023 -0.0043 554 LEU 38 HB3 -0.0028 -0.0026 -0.0038 555 LEU 38 HG -0.0025 -0.0027 -0.0046 556 LEU 38 HD11 -0.0049 -0.0024 -0.0057 557 LEU 38 HD12 -0.0048 -0.0023 -0.0040 558 LEU 38 HD13 -0.0058 -0.0021 -0.0041 559 LEU 38 HD21 -0.0040 -0.0022 -0.0018 560 LEU 38 HD22 -0.0034 -0.0024 -0.0020 561 LEU 38 HD23 -0.0021 -0.0026 -0.0020 562 TYR 39 N -0.0007 -0.0030 -0.0069 563 TYR 39 CA 0.0007 -0.0030 -0.0071 564 TYR 39 C 0.0014 -0.0033 -0.0058 565 TYR 39 O 0.0008 -0.0034 -0.0049 566 TYR 39 CB 0.0011 -0.0028 -0.0081 567 TYR 39 CG 0.0009 -0.0026 -0.0094 568 TYR 39 CD1 -0.0003 -0.0024 -0.0100 569 TYR 39 CD2 0.0019 -0.0025 -0.0101 570 TYR 39 CE1 -0.0005 -0.0022 -0.0112 571 TYR 39 CE2 0.0017 -0.0022 -0.0113 572 TYR 39 CZ 0.0005 -0.0021 -0.0119 573 TYR 39 OH 0.0003 -0.0018 -0.0131 574 TYR 39 H -0.0012 -0.0029 -0.0073 575 TYR 39 HA 0.0009 -0.0029 -0.0075 576 TYR 39 HB2 0.0006 -0.0028 -0.0079 577 TYR 39 HB3 0.0022 -0.0029 -0.0079 578 TYR 39 HD1 -0.0011 -0.0025 -0.0094 579 TYR 39 HD2 0.0028 -0.0026 -0.0096 580 TYR 39 HE1 -0.0014 -0.0021 -0.0116 581 TYR 39 HE2 0.0024 -0.0021 -0.0118 582 TYR 39 HH 0.0011 -0.0018 -0.0134 583 VAL 40 N 0.0032 -0.0030 -0.0052 584 VAL 40 CA 0.0037 -0.0033 -0.0042 585 VAL 40 C 0.0049 -0.0034 -0.0045 586 VAL 40 O 0.0055 -0.0036 -0.0045 587 VAL 40 CB 0.0036 -0.0034 -0.0034 588 VAL 40 CG1 0.0040 -0.0037 -0.0023 589 VAL 40 CG2 0.0024 -0.0032 -0.0033 590 VAL 40 H 0.0035 -0.0029 -0.0057 591 VAL 40 HA 0.0034 -0.0033 -0.0038 592 VAL 40 HB 0.0041 -0.0035 -0.0036 593 VAL 40 HG11 0.0047 -0.0039 -0.0024 594 VAL 40 HG12 0.0041 -0.0039 -0.0018 595 VAL 40 HG13 0.0034 -0.0037 -0.0019 596 VAL 40 HG21 0.0023 -0.0033 -0.0027 597 VAL 40 HG22 0.0022 -0.0030 -0.0040 598 VAL 40 HG23 0.0019 -0.0032 -0.0031 599 GLY 41 N 0.0054 -0.0033 -0.0047 600 GLY 41 CA 0.0062 -0.0035 -0.0050 601 GLY 41 C 0.0062 -0.0043 -0.0045 602 GLY 41 O 0.0066 -0.0045 -0.0047 603 GLY 41 H 0.0055 -0.0032 -0.0048 604 GLY 41 HA2 0.0061 -0.0030 -0.0052 605 GLY 41 HA3 0.0068 -0.0036 -0.0052 606 SER 42 N 0.0056 -0.0042 -0.0039 607 SER 42 CA 0.0055 -0.0046 -0.0037 608 SER 42 C 0.0053 -0.0046 -0.0036 609 SER 42 O 0.0054 -0.0048 -0.0035 610 SER 42 CB 0.0054 -0.0048 -0.0035 611 SER 42 OG 0.0055 -0.0052 -0.0033 612 SER 42 H 0.0054 -0.0041 -0.0039 613 SER 42 HA 0.0058 -0.0048 -0.0038 614 SER 42 HB2 0.0055 -0.0048 -0.0036 615 SER 42 HB3 0.0051 -0.0047 -0.0033 616 SER 42 HG 0.0057 -0.0053 -0.0035 617 LYS 43 N 0.0059 -0.0043 -0.0034 618 LYS 43 CA 0.0060 -0.0044 -0.0031 619 LYS 43 C 0.0060 -0.0045 -0.0035 620 LYS 43 O 0.0059 -0.0042 -0.0036 621 LYS 43 CB 0.0057 -0.0041 -0.0028 622 LYS 43 CG 0.0058 -0.0043 -0.0025 623 LYS 43 CD 0.0055 -0.0040 -0.0022 624 LYS 43 CE 0.0055 -0.0040 -0.0017 625 LYS 43 NZ 0.0054 -0.0039 -0.0018 626 LYS 43 H 0.0057 -0.0040 -0.0034 627 LYS 43 HA 0.0061 -0.0047 -0.0029 628 LYS 43 HB2 0.0056 -0.0041 -0.0026 629 LYS 43 HB3 0.0056 -0.0038 -0.0030 630 LYS 43 HG2 0.0058 -0.0043 -0.0027 631 LYS 43 HG3 0.0059 -0.0046 -0.0023 632 LYS 43 HD2 0.0054 -0.0037 -0.0023 633 LYS 43 HD3 0.0055 -0.0040 -0.0021 634 LYS 43 HE2 0.0054 -0.0039 -0.0014 635 LYS 43 HE3 0.0057 -0.0044 -0.0016 636 LYS 43 HZ1 0.0056 -0.0041 -0.0019 637 LYS 43 HZ2 0.0053 -0.0038 -0.0015 638 LYS 43 HZ3 0.0053 -0.0037 -0.0021 639 THR 44 N 0.0046 -0.0042 -0.0031 640 THR 44 CA 0.0043 -0.0046 -0.0024 641 THR 44 C 0.0041 -0.0048 -0.0018 642 THR 44 O 0.0041 -0.0047 -0.0021 643 THR 44 CB 0.0035 -0.0047 -0.0026 644 THR 44 OG1 0.0037 -0.0045 -0.0031 645 THR 44 CG2 0.0032 -0.0051 -0.0018 646 THR 44 H 0.0042 -0.0042 -0.0036 647 THR 44 HA 0.0048 -0.0045 -0.0020 648 THR 44 HB 0.0031 -0.0048 -0.0029 649 THR 44 HG1 0.0032 -0.0046 -0.0034 650 THR 44 HG21 0.0028 -0.0051 -0.0020 651 THR 44 HG22 0.0037 -0.0050 -0.0014 652 THR 44 HG23 0.0029 -0.0053 -0.0015 653 LYS 45 N 0.0035 -0.0052 -0.0005 654 LYS 45 CA 0.0037 -0.0055 -0.0003 655 LYS 45 C 0.0034 -0.0052 -0.0005 656 LYS 45 O 0.0038 -0.0050 -0.0006 657 LYS 45 CB 0.0035 -0.0061 0.0001 658 LYS 45 CG 0.0037 -0.0063 0.0003 659 LYS 45 CD 0.0035 -0.0069 0.0008 660 LYS 45 CE 0.0037 -0.0071 0.0010 661 LYS 45 NZ 0.0044 -0.0070 0.0010 662 LYS 45 H 0.0033 -0.0054 -0.0004 663 LYS 45 HA 0.0043 -0.0054 -0.0003 664 LYS 45 HB2 0.0030 -0.0061 0.0001 665 LYS 45 HB3 0.0037 -0.0063 0.0003 666 LYS 45 HG2 0.0043 -0.0062 0.0004 667 LYS 45 HG3 0.0035 -0.0061 0.0002 668 LYS 45 HD2 0.0030 -0.0069 0.0007 669 LYS 45 HD3 0.0038 -0.0071 0.0010 670 LYS 45 HE2 0.0034 -0.0069 0.0008 671 LYS 45 HE3 0.0035 -0.0075 0.0013 672 LYS 45 HZ1 0.0047 -0.0072 0.0012 673 LYS 45 HZ2 0.0045 -0.0071 0.0011 674 LYS 45 HZ3 0.0045 -0.0066 0.0007 675 GLU 46 N 0.0019 -0.0057 -0.0007 676 GLU 46 CA 0.0005 -0.0059 -0.0014 677 GLU 46 C 0.0012 -0.0051 -0.0027 678 GLU 46 O 0.0007 -0.0052 -0.0030 679 GLU 46 CB -0.0009 -0.0061 -0.0022 680 GLU 46 CG -0.0023 -0.0064 -0.0029 681 GLU 46 CD -0.0038 -0.0066 -0.0036 682 GLU 46 OE1 -0.0036 -0.0065 -0.0038 683 GLU 46 OE2 -0.0051 -0.0070 -0.0039 684 GLU 46 H 0.0017 -0.0059 -0.0006 685 GLU 46 HA 0.0001 -0.0065 -0.0005 686 GLU 46 HB2 -0.0013 -0.0067 -0.0013 687 GLU 46 HB3 -0.0005 -0.0056 -0.0032 688 GLU 46 HG2 -0.0020 -0.0058 -0.0038 689 GLU 46 HG3 -0.0027 -0.0069 -0.0019 690 GLY 47 N 0.0022 -0.0043 -0.0028 691 GLY 47 CA 0.0028 -0.0034 -0.0038 692 GLY 47 C 0.0040 -0.0034 -0.0033 693 GLY 47 O 0.0041 -0.0030 -0.0039 694 GLY 47 H 0.0024 -0.0044 -0.0026 695 GLY 47 HA2 0.0020 -0.0032 -0.0044 696 GLY 47 HA3 0.0033 -0.0030 -0.0043 697 VAL 48 N 0.0041 -0.0036 -0.0019 698 VAL 48 CA 0.0051 -0.0036 -0.0013 699 VAL 48 C 0.0047 -0.0041 -0.0010 700 VAL 48 O 0.0052 -0.0039 -0.0010 701 VAL 48 CB 0.0057 -0.0040 -0.0006 702 VAL 48 CG1 0.0066 -0.0041 0.0001 703 VAL 48 CG2 0.0061 -0.0034 -0.0009 704 VAL 48 H 0.0039 -0.0039 -0.0017 705 VAL 48 HA 0.0056 -0.0030 -0.0017 706 VAL 48 HB 0.0051 -0.0046 -0.0002 707 VAL 48 HG11 0.0070 -0.0036 -0.0003 708 VAL 48 HG12 0.0063 -0.0046 0.0005 709 VAL 48 HG13 0.0071 -0.0042 0.0005 710 VAL 48 HG21 0.0065 -0.0037 -0.0004 711 VAL 48 HG22 0.0055 -0.0033 -0.0014 712 VAL 48 HG23 0.0067 -0.0028 -0.0012 713 VAL 49 N 0.0035 -0.0049 -0.0003 714 VAL 49 CA 0.0026 -0.0059 0.0005 715 VAL 49 C 0.0019 -0.0056 -0.0008 716 VAL 49 O 0.0020 -0.0058 -0.0004 717 VAL 49 CB 0.0011 -0.0072 0.0009 718 VAL 49 CG1 -0.0000 -0.0083 0.0015 719 VAL 49 CG2 0.0017 -0.0077 0.0023 720 VAL 49 H 0.0031 -0.0050 -0.0004 721 VAL 49 HA 0.0034 -0.0061 0.0016 722 VAL 49 HB 0.0003 -0.0070 -0.0003 723 VAL 49 HG11 -0.0009 -0.0092 0.0020 724 VAL 49 HG12 0.0008 -0.0083 0.0024 725 VAL 49 HG13 -0.0007 -0.0081 0.0004 726 VAL 49 HG21 0.0006 -0.0085 0.0025 727 VAL 49 HG22 0.0026 -0.0069 0.0020 728 VAL 49 HG23 0.0023 -0.0080 0.0035 729 HIS 50 N 0.0013 -0.0046 -0.0022 730 HIS 50 CA 0.0002 -0.0042 -0.0043 731 HIS 50 C 0.0024 -0.0028 -0.0048 732 HIS 50 O 0.0019 -0.0027 -0.0057 733 HIS 50 CB -0.0009 -0.0037 -0.0069 734 HIS 50 CG -0.0020 -0.0033 -0.0091 735 HIS 50 ND1 -0.0036 -0.0044 -0.0087 736 HIS 50 CD2 -0.0017 -0.0019 -0.0116 737 HIS 50 CE1 -0.0042 -0.0036 -0.0110 738 HIS 50 NE2 -0.0031 -0.0022 -0.0129 739 HIS 50 H 0.0015 -0.0044 -0.0026 740 HIS 50 HA -0.0012 -0.0053 -0.0037 741 HIS 50 HB2 -0.0024 -0.0047 -0.0065 742 HIS 50 HB3 0.0006 -0.0026 -0.0075 743 HIS 50 HD1 -0.0042 -0.0055 -0.0070 744 HIS 50 HD2 -0.0005 -0.0009 -0.0126 745 HIS 50 HE1 -0.0055 -0.0042 -0.0113 746 HIS 50 HE2 -0.0033 -0.0014 -0.0147 747 GLY 51 N 0.0041 -0.0012 -0.0043 748 GLY 51 CA 0.0064 0.0005 -0.0045 749 GLY 51 C 0.0072 -0.0003 -0.0023 750 GLY 51 O 0.0072 0.0001 -0.0028 751 GLY 51 H 0.0042 -0.0015 -0.0038 752 GLY 51 HA2 0.0059 0.0015 -0.0063 753 GLY 51 HA3 0.0079 0.0015 -0.0042 754 VAL 52 N 0.0069 -0.0013 0.0003 755 VAL 52 CA 0.0078 -0.0021 0.0023 756 VAL 52 C 0.0060 -0.0033 0.0020 757 VAL 52 O 0.0066 -0.0035 0.0028 758 VAL 52 CB 0.0082 -0.0036 0.0046 759 VAL 52 CG1 0.0101 -0.0024 0.0049 760 VAL 52 CG2 0.0059 -0.0053 0.0044 761 VAL 52 H 0.0067 -0.0016 0.0006 762 VAL 52 HA 0.0094 -0.0009 0.0024 763 VAL 52 HB 0.0088 -0.0043 0.0060 764 VAL 52 HG11 0.0118 -0.0014 0.0053 765 VAL 52 HG12 0.0101 -0.0034 0.0063 766 VAL 52 HG13 0.0097 -0.0015 0.0033 767 VAL 52 HG21 0.0053 -0.0046 0.0029 768 VAL 52 HG22 0.0063 -0.0062 0.0060 769 VAL 52 HG23 0.0047 -0.0062 0.0043 770 ALA 53 N 0.0036 -0.0040 0.0008 771 ALA 53 CA 0.0014 -0.0056 0.0004 772 ALA 53 C 0.0014 -0.0046 -0.0016 773 ALA 53 O 0.0006 -0.0054 -0.0013 774 ALA 53 CB -0.0008 -0.0067 -0.0008 775 ALA 53 H 0.0035 -0.0037 0.0000 776 ALA 53 HA 0.0013 -0.0066 0.0024 777 ALA 53 HB1 -0.0010 -0.0058 -0.0030 778 ALA 53 HB2 -0.0007 -0.0072 0.0003 779 ALA 53 HB3 -0.0025 -0.0081 -0.0007 780 THR 54 N 0.0024 -0.0029 -0.0036 781 THR 54 CA 0.0024 -0.0020 -0.0062 782 THR 54 C 0.0045 -0.0010 -0.0046 783 THR 54 O 0.0039 -0.0012 -0.0051 784 THR 54 CB 0.0034 -0.0002 -0.0093 785 THR 54 OG1 0.0017 -0.0010 -0.0104 786 THR 54 CG2 0.0030 0.0005 -0.0121 787 THR 54 H 0.0034 -0.0021 -0.0038 788 THR 54 HA 0.0003 -0.0033 -0.0069 789 THR 54 HB 0.0056 0.0012 -0.0086 790 THR 54 HG1 0.0030 0.0001 -0.0111 791 THR 54 HG21 0.0007 -0.0009 -0.0131 792 THR 54 HG22 0.0040 0.0009 -0.0111 793 THR 54 HG23 0.0040 0.0019 -0.0141 794 VAL 55 N 0.0070 0.0009 -0.0022 795 VAL 55 CA 0.0090 0.0021 -0.0002 796 VAL 55 C 0.0074 -0.0000 0.0029 797 VAL 55 O 0.0081 0.0003 0.0041 798 VAL 55 CB 0.0120 0.0041 0.0019 799 VAL 55 CG1 0.0140 0.0051 0.0044 800 VAL 55 CG2 0.0139 0.0064 -0.0011 801 VAL 55 H 0.0076 0.0014 -0.0020 802 VAL 55 HA 0.0096 0.0031 -0.0023 803 VAL 55 HB 0.0114 0.0032 0.0038 804 VAL 55 HG11 0.0141 0.0056 0.0027 805 VAL 55 HG12 0.0130 0.0037 0.0070 806 VAL 55 HG13 0.0163 0.0069 0.0053 807 VAL 55 HG21 0.0143 0.0072 -0.0031 808 VAL 55 HG22 0.0161 0.0079 0.0003 809 VAL 55 HG23 0.0126 0.0057 -0.0027 810 ALA 56 N 0.0047 -0.0017 0.0032 811 ALA 56 CA 0.0030 -0.0036 0.0059 812 ALA 56 C 0.0010 -0.0050 0.0041 813 ALA 56 O 0.0001 -0.0060 0.0058 814 ALA 56 CB 0.0012 -0.0053 0.0073 815 ALA 56 H 0.0044 -0.0019 0.0023 816 ALA 56 HA 0.0043 -0.0028 0.0080 817 ALA 56 HB1 0.0025 -0.0043 0.0080 818 ALA 56 HB2 0.0004 -0.0064 0.0097 819 ALA 56 HB3 -0.0004 -0.0064 0.0053 820 GLU 57 N 0.0005 -0.0048 0.0009 821 GLU 57 CA -0.0015 -0.0062 -0.0011 822 GLU 57 C 0.0001 -0.0049 -0.0015 823 GLU 57 O -0.0011 -0.0059 -0.0011 824 GLU 57 CB -0.0024 -0.0066 -0.0048 825 GLU 57 CG -0.0042 -0.0081 -0.0043 826 GLU 57 CD -0.0050 -0.0084 -0.0080 827 GLU 57 OE1 -0.0042 -0.0075 -0.0107 828 GLU 57 OE2 -0.0064 -0.0096 -0.0081 829 GLU 57 H 0.0014 -0.0039 -0.0005 830 GLU 57 HA -0.0033 -0.0078 0.0005 831 GLU 57 HB2 -0.0006 -0.0049 -0.0062 832 GLU 57 HB3 -0.0036 -0.0074 -0.0063 833 GLU 57 HG2 -0.0061 -0.0098 -0.0030 834 GLU 57 HG3 -0.0031 -0.0074 -0.0027 835 LYS 58 N 0.0021 -0.0032 -0.0021 836 LYS 58 CA 0.0037 -0.0016 -0.0024 837 LYS 58 C 0.0041 -0.0014 0.0020 838 LYS 58 O 0.0038 -0.0017 0.0027 839 LYS 58 CB 0.0069 0.0013 -0.0043 840 LYS 58 CG 0.0065 0.0011 -0.0089 841 LYS 58 CD 0.0096 0.0041 -0.0107 842 LYS 58 CE 0.0092 0.0038 -0.0153 843 LYS 58 NZ 0.0123 0.0067 -0.0171 844 LYS 58 H 0.0032 -0.0021 -0.0026 845 LYS 58 HA 0.0024 -0.0028 -0.0043 846 LYS 58 HB2 0.0081 0.0024 -0.0026 847 LYS 58 HB3 0.0082 0.0025 -0.0041 848 LYS 58 HG2 0.0053 0.0001 -0.0106 849 LYS 58 HG3 0.0051 -0.0002 -0.0091 850 LYS 58 HD2 0.0108 0.0051 -0.0090 851 LYS 58 HD3 0.0110 0.0053 -0.0105 852 LYS 58 HE2 0.0081 0.0029 -0.0171 853 LYS 58 HE3 0.0078 0.0025 -0.0155 854 LYS 58 HZ1 0.0139 0.0082 -0.0160 855 LYS 58 HZ2 0.0130 0.0074 -0.0163 856 LYS 58 HZ3 0.0122 0.0067 -0.0204 857 THR 59 N 0.0043 -0.0007 0.0046 858 THR 59 CA 0.0041 -0.0002 0.0083 859 THR 59 C 0.0012 -0.0024 0.0091 860 THR 59 O 0.0009 -0.0023 0.0112 861 THR 59 CB 0.0044 0.0005 0.0113 862 THR 59 OG1 0.0070 0.0024 0.0102 863 THR 59 CG2 0.0048 0.0014 0.0150 864 THR 59 H 0.0049 -0.0003 0.0043 865 THR 59 HA 0.0059 0.0012 0.0083 866 THR 59 HB 0.0025 -0.0010 0.0115 867 THR 59 HG1 0.0074 0.0023 0.0076 868 THR 59 HG21 0.0030 0.0001 0.0156 869 THR 59 HG22 0.0046 0.0016 0.0172 870 THR 59 HG23 0.0069 0.0031 0.0149 871 LYS 60 N -0.0009 -0.0038 0.0071 872 LYS 60 CA -0.0035 -0.0062 0.0079 873 LYS 60 C -0.0033 -0.0061 0.0062 874 LYS 60 O -0.0042 -0.0068 0.0078 875 LYS 60 CB -0.0058 -0.0085 0.0063 876 LYS 60 CG -0.0064 -0.0089 0.0085 877 LYS 60 CD -0.0087 -0.0111 0.0068 878 LYS 60 CE -0.0093 -0.0115 0.0090 879 LYS 60 NZ -0.0106 -0.0125 0.0127 880 LYS 60 H -0.0008 -0.0039 0.0053 881 LYS 60 HA -0.0038 -0.0063 0.0109 882 LYS 60 HB2 -0.0054 -0.0082 0.0034 883 LYS 60 HB3 -0.0076 -0.0101 0.0064 884 LYS 60 HG2 -0.0069 -0.0092 0.0114 885 LYS 60 HG3 -0.0046 -0.0072 0.0084 886 LYS 60 HD2 -0.0082 -0.0108 0.0040 887 LYS 60 HD3 -0.0105 -0.0128 0.0069 888 LYS 60 HE2 -0.0074 -0.0098 0.0094 889 LYS 60 HE3 -0.0107 -0.0129 0.0075 890 LYS 60 HZ1 -0.0091 -0.0111 0.0145 891 LYS 60 HZ2 -0.0120 -0.0138 0.0124 892 LYS 60 HZ3 -0.0116 -0.0134 0.0138 893 GLU 61 N -0.0021 -0.0058 0.0038 894 GLU 61 CA -0.0021 -0.0061 0.0022 895 GLU 61 C -0.0005 -0.0041 0.0042 896 GLU 61 O -0.0008 -0.0044 0.0041 897 GLU 61 CB -0.0009 -0.0058 -0.0017 898 GLU 61 CG -0.0026 -0.0080 -0.0038 899 GLU 61 CD -0.0014 -0.0076 -0.0077 900 GLU 61 OE1 0.0007 -0.0056 -0.0086 901 GLU 61 OE2 -0.0025 -0.0092 -0.0098 902 GLU 61 H -0.0012 -0.0052 0.0025 903 GLU 61 HA -0.0040 -0.0080 0.0024 904 GLU 61 HB2 0.0010 -0.0039 -0.0020 905 GLU 61 HB3 -0.0006 -0.0057 -0.0028 906 GLU 61 HG2 -0.0044 -0.0098 -0.0038 907 GLU 61 HG3 -0.0030 -0.0081 -0.0027 908 GLN 62 N 0.0010 -0.0028 0.0057 909 GLN 62 CA 0.0023 -0.0012 0.0072 910 GLN 62 C 0.0003 -0.0016 0.0102 911 GLN 62 O -0.0004 -0.0021 0.0104 912 GLN 62 CB 0.0050 0.0011 0.0082 913 GLN 62 CG 0.0066 0.0027 0.0094 914 GLN 62 CD 0.0092 0.0050 0.0102 915 GLN 62 OE1 0.0093 0.0061 0.0130 916 GLN 62 NE2 0.0114 0.0058 0.0079 917 GLN 62 H 0.0014 -0.0024 0.0060 918 GLN 62 HA 0.0029 -0.0014 0.0055 919 GLN 62 HB2 0.0063 0.0013 0.0061 920 GLN 62 HB3 0.0044 0.0014 0.0101 921 GLN 62 HG2 0.0053 0.0025 0.0115 922 GLN 62 HG3 0.0071 0.0024 0.0075 923 GLN 62 HE21 0.0114 0.0049 0.0057 924 GLN 62 HE22 0.0131 0.0072 0.0085 925 VAL 63 N -0.0007 -0.0010 0.0122 926 VAL 63 CA -0.0023 -0.0014 0.0149 927 VAL 63 C -0.0046 -0.0031 0.0139 928 VAL 63 O -0.0055 -0.0034 0.0153 929 VAL 63 CB -0.0034 -0.0015 0.0170 930 VAL 63 CG1 -0.0011 0.0002 0.0179 931 VAL 63 CG2 -0.0051 -0.0031 0.0153 932 VAL 63 H -0.0002 -0.0007 0.0121 933 VAL 63 HA -0.0012 -0.0003 0.0161 934 VAL 63 HB -0.0046 -0.0017 0.0190 935 VAL 63 HG11 0.0002 0.0005 0.0159 936 VAL 63 HG12 -0.0000 0.0013 0.0193 937 VAL 63 HG13 -0.0019 0.0001 0.0192 938 VAL 63 HG21 -0.0070 -0.0043 0.0151 939 VAL 63 HG22 -0.0041 -0.0030 0.0131 940 VAL 63 HG23 -0.0055 -0.0030 0.0166 941 THR 64 N -0.0045 -0.0044 0.0113 942 THR 64 CA -0.0063 -0.0061 0.0107 943 THR 64 C -0.0055 -0.0056 0.0101 944 THR 64 O -0.0065 -0.0062 0.0111 945 THR 64 CB -0.0071 -0.0074 0.0082 946 THR 64 OG1 -0.0053 -0.0064 0.0062 947 THR 64 CG2 -0.0084 -0.0083 0.0090 948 THR 64 H -0.0040 -0.0042 0.0101 949 THR 64 HA -0.0076 -0.0068 0.0123 950 THR 64 HB -0.0080 -0.0084 0.0073 951 THR 64 HG1 -0.0043 -0.0052 0.0071 952 THR 64 HG21 -0.0086 -0.0089 0.0072 953 THR 64 HG22 -0.0076 -0.0073 0.0103 954 THR 64 HG23 -0.0099 -0.0094 0.0100 955 ASN 65 N -0.0044 -0.0051 0.0092 956 ASN 65 CA -0.0041 -0.0052 0.0087 957 ASN 65 C -0.0042 -0.0040 0.0107 958 ASN 65 O -0.0051 -0.0045 0.0112 959 ASN 65 CB -0.0021 -0.0046 0.0070 960 ASN 65 CG -0.0022 -0.0060 0.0048 961 ASN 65 OD1 -0.0011 -0.0058 0.0036 962 ASN 65 ND2 -0.0035 -0.0075 0.0042 963 ASN 65 H -0.0033 -0.0046 0.0086 964 ASN 65 HA -0.0052 -0.0065 0.0081 965 ASN 65 HB2 -0.0011 -0.0035 0.0073 966 ASN 65 HB3 -0.0017 -0.0042 0.0070 967 ASN 65 HD21 -0.0044 -0.0077 0.0051 968 ASN 65 HD22 -0.0036 -0.0085 0.0028 969 VAL 66 N -0.0037 -0.0031 0.0116 970 VAL 66 CA -0.0042 -0.0024 0.0124 971 VAL 66 C -0.0060 -0.0020 0.0132 972 VAL 66 O -0.0069 -0.0018 0.0136 973 VAL 66 CB -0.0028 -0.0013 0.0132 974 VAL 66 CG1 -0.0032 -0.0005 0.0140 975 VAL 66 CG2 -0.0010 -0.0017 0.0124 976 VAL 66 H -0.0029 -0.0027 0.0118 977 VAL 66 HA -0.0043 -0.0030 0.0118 978 VAL 66 HB -0.0027 -0.0006 0.0138 979 VAL 66 HG11 -0.0022 0.0002 0.0146 980 VAL 66 HG12 -0.0034 -0.0012 0.0134 981 VAL 66 HG13 -0.0044 -0.0001 0.0147 982 VAL 66 HG21 -0.0000 -0.0009 0.0130 983 VAL 66 HG22 -0.0008 -0.0023 0.0118 984 VAL 66 HG23 -0.0010 -0.0023 0.0119 985 GLY 67 N -0.0068 -0.0017 0.0140 986 GLY 67 CA -0.0089 -0.0004 0.0144 987 GLY 67 C -0.0103 -0.0008 0.0123 988 GLY 67 O -0.0114 -0.0003 0.0123 989 GLY 67 H -0.0063 -0.0017 0.0145 990 GLY 67 HA2 -0.0086 0.0000 0.0155 991 GLY 67 HA3 -0.0097 0.0003 0.0150 992 GLY 68 N -0.0090 -0.0008 0.0113 993 GLY 68 CA -0.0098 -0.0010 0.0101 994 GLY 68 C -0.0096 -0.0019 0.0095 995 GLY 68 O -0.0102 -0.0020 0.0086 996 GLY 68 H -0.0085 -0.0011 0.0116 997 GLY 68 HA2 -0.0105 -0.0003 0.0100 998 GLY 68 HA3 -0.0098 -0.0013 0.0098 999 ALA 69 N -0.0092 -0.0019 0.0108 1000 ALA 69 CA -0.0096 -0.0030 0.0101 1001 ALA 69 C -0.0103 -0.0021 0.0096 1002 ALA 69 O -0.0112 -0.0024 0.0086 1003 ALA 69 CB -0.0086 -0.0041 0.0108 1004 ALA 69 H -0.0084 -0.0017 0.0116 1005 ALA 69 HA -0.0101 -0.0037 0.0094 1006 ALA 69 HB1 -0.0089 -0.0048 0.0103 1007 ALA 69 HB2 -0.0081 -0.0034 0.0115 1008 ALA 69 HB3 -0.0081 -0.0047 0.0112 1009 VAL 70 N -0.0096 -0.0017 0.0100 1010 VAL 70 CA -0.0101 -0.0010 0.0098 1011 VAL 70 C -0.0116 0.0002 0.0083 1012 VAL 70 O -0.0122 0.0002 0.0072 1013 VAL 70 CB -0.0097 0.0001 0.0118 1014 VAL 70 CG1 -0.0082 -0.0012 0.0131 1015 VAL 70 CG2 -0.0101 0.0017 0.0126 1016 VAL 70 H -0.0091 -0.0014 0.0112 1017 VAL 70 HA -0.0097 -0.0023 0.0093 1018 VAL 70 HB -0.0102 0.0008 0.0116 1019 VAL 70 HG11 -0.0080 -0.0021 0.0127 1020 VAL 70 HG12 -0.0079 -0.0004 0.0146 1021 VAL 70 HG13 -0.0078 -0.0022 0.0130 1022 VAL 70 HG21 -0.0096 0.0010 0.0128 1023 VAL 70 HG22 -0.0098 0.0025 0.0140 1024 VAL 70 HG23 -0.0111 0.0027 0.0117 1025 VAL 71 N -0.0117 0.0014 0.0074 1026 VAL 71 CA -0.0123 0.0029 0.0058 1027 VAL 71 C -0.0122 0.0020 0.0038 1028 VAL 71 O -0.0124 0.0022 0.0023 1029 VAL 71 CB -0.0127 0.0047 0.0064 1030 VAL 71 CG1 -0.0132 0.0061 0.0047 1031 VAL 71 CG2 -0.0128 0.0057 0.0082 1032 VAL 71 H -0.0117 0.0016 0.0085 1033 VAL 71 HA -0.0124 0.0032 0.0056 1034 VAL 71 HB -0.0126 0.0043 0.0068 1035 VAL 71 HG11 -0.0133 0.0062 0.0040 1036 VAL 71 HG12 -0.0132 0.0055 0.0035 1037 VAL 71 HG13 -0.0136 0.0075 0.0052 1038 VAL 71 HG21 -0.0131 0.0070 0.0086 1039 VAL 71 HG22 -0.0124 0.0047 0.0094 1040 VAL 71 HG23 -0.0130 0.0061 0.0078 1041 THR 72 N -0.0114 0.0015 0.0043 1042 THR 72 CA -0.0117 0.0006 0.0029 1043 THR 72 C -0.0117 -0.0007 0.0021 1044 THR 72 O -0.0121 -0.0009 0.0006 1045 THR 72 CB -0.0113 -0.0004 0.0035 1046 THR 72 OG1 -0.0108 -0.0014 0.0049 1047 THR 72 CG2 -0.0114 0.0008 0.0040 1048 THR 72 H -0.0110 0.0014 0.0055 1049 THR 72 HA -0.0120 0.0015 0.0020 1050 THR 72 HB -0.0115 -0.0013 0.0025 1051 THR 72 HG1 -0.0106 -0.0018 0.0054 1052 THR 72 HG21 -0.0113 0.0019 0.0048 1053 THR 72 HG22 -0.0117 0.0014 0.0029 1054 THR 72 HG23 -0.0111 0.0002 0.0047 1055 GLY 73 N -0.0123 -0.0012 0.0035 1056 GLY 73 CA -0.0130 -0.0025 0.0024 1057 GLY 73 C -0.0130 -0.0016 0.0006 1058 GLY 73 O -0.0135 -0.0021 -0.0008 1059 GLY 73 H -0.0119 -0.0010 0.0046 1060 GLY 73 HA2 -0.0134 -0.0034 0.0021 1061 GLY 73 HA3 -0.0131 -0.0031 0.0031 1062 VAL 74 N -0.0128 -0.0011 0.0003 1063 VAL 74 CA -0.0123 -0.0008 -0.0013 1064 VAL 74 C -0.0117 0.0001 -0.0026 1065 VAL 74 O -0.0114 -0.0003 -0.0042 1066 VAL 74 CB -0.0120 0.0003 -0.0009 1067 VAL 74 CG1 -0.0114 0.0008 -0.0026 1068 VAL 74 CG2 -0.0126 -0.0007 0.0002 1069 VAL 74 H -0.0130 -0.0007 0.0015 1070 VAL 74 HA -0.0126 -0.0020 -0.0020 1071 VAL 74 HB -0.0118 0.0015 -0.0001 1072 VAL 74 HG11 -0.0116 -0.0003 -0.0036 1073 VAL 74 HG12 -0.0109 0.0018 -0.0032 1074 VAL 74 HG13 -0.0113 0.0014 -0.0023 1075 VAL 74 HG21 -0.0124 0.0002 0.0007 1076 VAL 74 HG22 -0.0131 -0.0012 0.0012 1077 VAL 74 HG23 -0.0128 -0.0017 -0.0007 1078 THR 75 N -0.0114 0.0010 -0.0021 1079 THR 75 CA -0.0104 0.0020 -0.0029 1080 THR 75 C -0.0098 0.0014 -0.0036 1081 THR 75 O -0.0089 0.0014 -0.0045 1082 THR 75 CB -0.0106 0.0036 -0.0023 1083 THR 75 OG1 -0.0113 0.0040 -0.0015 1084 THR 75 CG2 -0.0096 0.0047 -0.0031 1085 THR 75 H -0.0121 0.0014 -0.0013 1086 THR 75 HA -0.0099 0.0021 -0.0034 1087 THR 75 HB -0.0110 0.0036 -0.0019 1088 THR 75 HG1 -0.0120 0.0038 -0.0008 1089 THR 75 HG21 -0.0091 0.0045 -0.0036 1090 THR 75 HG22 -0.0091 0.0044 -0.0036 1091 THR 75 HG23 -0.0097 0.0058 -0.0027 1092 ALA 76 N -0.0104 0.0016 -0.0019 1093 ALA 76 CA -0.0105 0.0013 -0.0021 1094 ALA 76 C -0.0102 -0.0001 -0.0035 1095 ALA 76 O -0.0095 -0.0002 -0.0041 1096 ALA 76 CB -0.0122 0.0012 -0.0011 1097 ALA 76 H -0.0113 0.0016 -0.0013 1098 ALA 76 HA -0.0096 0.0022 -0.0019 1099 ALA 76 HB1 -0.0123 0.0012 -0.0012 1100 ALA 76 HB2 -0.0131 0.0003 -0.0014 1101 ALA 76 HB3 -0.0125 0.0022 -0.0001 1102 VAL 77 N -0.0118 -0.0007 -0.0042 1103 VAL 77 CA -0.0115 -0.0026 -0.0062 1104 VAL 77 C -0.0089 -0.0026 -0.0074 1105 VAL 77 O -0.0080 -0.0035 -0.0087 1106 VAL 77 CB -0.0131 -0.0041 -0.0070 1107 VAL 77 CG1 -0.0130 -0.0060 -0.0090 1108 VAL 77 CG2 -0.0158 -0.0040 -0.0057 1109 VAL 77 H -0.0126 -0.0006 -0.0037 1110 VAL 77 HA -0.0121 -0.0029 -0.0062 1111 VAL 77 HB -0.0124 -0.0038 -0.0071 1112 VAL 77 HG11 -0.0134 -0.0062 -0.0089 1113 VAL 77 HG12 -0.0113 -0.0062 -0.0099 1114 VAL 77 HG13 -0.0144 -0.0071 -0.0095 1115 VAL 77 HG21 -0.0159 -0.0028 -0.0045 1116 VAL 77 HG22 -0.0163 -0.0039 -0.0054 1117 VAL 77 HG23 -0.0169 -0.0052 -0.0065 1118 ALA 78 N -0.0078 -0.0019 -0.0069 1119 ALA 78 CA -0.0052 -0.0021 -0.0077 1120 ALA 78 C -0.0032 -0.0011 -0.0077 1121 ALA 78 O -0.0015 -0.0021 -0.0088 1122 ALA 78 CB -0.0049 -0.0008 -0.0071 1123 ALA 78 H -0.0089 -0.0010 -0.0062 1124 ALA 78 HA -0.0050 -0.0039 -0.0087 1125 ALA 78 HB1 -0.0054 0.0010 -0.0061 1126 ALA 78 HB2 -0.0062 -0.0017 -0.0072 1127 ALA 78 HB3 -0.0030 -0.0008 -0.0076 1128 GLN 79 N -0.0031 0.0005 -0.0061 1129 GLN 79 CA -0.0012 0.0018 -0.0056 1130 GLN 79 C -0.0014 0.0012 -0.0058 1131 GLN 79 O 0.0003 0.0015 -0.0057 1132 GLN 79 CB -0.0015 0.0043 -0.0044 1133 GLN 79 CG -0.0010 0.0049 -0.0042 1134 GLN 79 CD -0.0015 0.0074 -0.0030 1135 GLN 79 OE1 -0.0020 0.0086 -0.0025 1136 GLN 79 NE2 -0.0013 0.0083 -0.0027 1137 GLN 79 H -0.0045 0.0014 -0.0057 1138 GLN 79 HA 0.0006 0.0013 -0.0058 1139 GLN 79 HB2 -0.0034 0.0048 -0.0042 1140 GLN 79 HB3 -0.0002 0.0052 -0.0040 1141 GLN 79 HG2 0.0009 0.0045 -0.0043 1142 GLN 79 HG3 -0.0022 0.0040 -0.0046 1143 GLN 79 HE21 -0.0009 0.0074 -0.0031 1144 GLN 79 HE22 -0.0016 0.0099 -0.0019 1145 LYS 80 N -0.0037 0.0007 -0.0054 1146 LYS 80 CA -0.0048 0.0001 -0.0059 1147 LYS 80 C -0.0037 -0.0021 -0.0078 1148 LYS 80 O -0.0036 -0.0026 -0.0083 1149 LYS 80 CB -0.0080 -0.0001 -0.0060 1150 LYS 80 CG -0.0093 0.0001 -0.0058 1151 LYS 80 CD -0.0124 0.0002 -0.0057 1152 LYS 80 CE -0.0137 0.0005 -0.0054 1153 LYS 80 NZ -0.0131 -0.0013 -0.0070 1154 LYS 80 H -0.0047 0.0004 -0.0056 1155 LYS 80 HA -0.0042 0.0012 -0.0050 1156 LYS 80 HB2 -0.0087 0.0012 -0.0049 1157 LYS 80 HB3 -0.0086 -0.0016 -0.0072 1158 LYS 80 HG2 -0.0087 -0.0013 -0.0070 1159 LYS 80 HG3 -0.0085 0.0015 -0.0046 1160 LYS 80 HD2 -0.0130 0.0015 -0.0046 1161 LYS 80 HD3 -0.0132 -0.0013 -0.0069 1162 LYS 80 HE2 -0.0127 0.0019 -0.0042 1163 LYS 80 HE3 -0.0159 0.0008 -0.0051 1164 LYS 80 HZ1 -0.0115 -0.0022 -0.0077 1165 LYS 80 HZ2 -0.0149 -0.0023 -0.0077 1166 LYS 80 HZ3 -0.0127 -0.0009 -0.0066 1167 THR 81 N -0.0029 -0.0027 -0.0098 1168 THR 81 CA -0.0016 -0.0051 -0.0118 1169 THR 81 C 0.0017 -0.0049 -0.0113 1170 THR 81 O 0.0025 -0.0057 -0.0119 1171 THR 81 CB -0.0016 -0.0068 -0.0133 1172 THR 81 OG1 -0.0046 -0.0066 -0.0134 1173 THR 81 CG2 -0.0010 -0.0093 -0.0155 1174 THR 81 H -0.0029 -0.0023 -0.0094 1175 THR 81 HA -0.0031 -0.0057 -0.0125 1176 THR 81 HB 0.0002 -0.0064 -0.0128 1177 THR 81 HG1 -0.0050 -0.0081 -0.0149 1178 THR 81 HG21 -0.0004 -0.0105 -0.0165 1179 THR 81 HG22 -0.0030 -0.0099 -0.0163 1180 THR 81 HG23 0.0010 -0.0094 -0.0154 1181 VAL 82 N 0.0036 -0.0048 -0.0095 1182 VAL 82 CA 0.0068 -0.0048 -0.0085 1183 VAL 82 C 0.0073 -0.0032 -0.0073 1184 VAL 82 O 0.0093 -0.0038 -0.0072 1185 VAL 82 CB 0.0081 -0.0037 -0.0074 1186 VAL 82 CG1 0.0077 -0.0053 -0.0086 1187 VAL 82 CG2 0.0065 -0.0009 -0.0061 1188 VAL 82 H 0.0027 -0.0043 -0.0094 1189 VAL 82 HA 0.0079 -0.0067 -0.0095 1190 VAL 82 HB 0.0104 -0.0037 -0.0067 1191 VAL 82 HG11 0.0092 -0.0071 -0.0093 1192 VAL 82 HG12 0.0081 -0.0043 -0.0078 1193 VAL 82 HG13 0.0054 -0.0057 -0.0095 1194 VAL 82 HG21 0.0073 0.0003 -0.0050 1195 VAL 82 HG22 0.0042 -0.0009 -0.0067 1196 VAL 82 HG23 0.0071 -0.0003 -0.0055 1197 GLU 83 N 0.0054 -0.0013 -0.0063 1198 GLU 83 CA 0.0058 0.0005 -0.0050 1199 GLU 83 C 0.0055 -0.0004 -0.0057 1200 GLU 83 O 0.0069 -0.0002 -0.0048 1201 GLU 83 CB 0.0039 0.0027 -0.0046 1202 GLU 83 CG 0.0044 0.0038 -0.0037 1203 GLU 83 CD 0.0024 0.0060 -0.0034 1204 GLU 83 OE1 0.0008 0.0066 -0.0039 1205 GLU 83 OE2 0.0025 0.0070 -0.0027 1206 GLU 83 H 0.0041 -0.0009 -0.0068 1207 GLU 83 HA 0.0075 0.0007 -0.0039 1208 GLU 83 HB2 0.0021 0.0024 -0.0058 1209 GLU 83 HB3 0.0039 0.0039 -0.0038 1210 GLU 83 HG2 0.0061 0.0042 -0.0025 1211 GLU 83 HG3 0.0045 0.0026 -0.0044 1212 GLY 84 N 0.0036 -0.0001 -0.0076 1213 GLY 84 CA 0.0026 0.0011 -0.0083 1214 GLY 84 C 0.0038 -0.0003 -0.0074 1215 GLY 84 O 0.0032 0.0006 -0.0068 1216 GLY 84 H 0.0036 -0.0006 -0.0091 1217 GLY 84 HA2 0.0016 0.0028 -0.0072 1218 GLY 84 HA3 0.0020 0.0011 -0.0105 1219 ALA 85 N 0.0068 -0.0024 -0.0083 1220 ALA 85 CA 0.0095 -0.0051 -0.0072 1221 ALA 85 C 0.0098 -0.0032 -0.0025 1222 ALA 85 O 0.0105 -0.0036 -0.0018 1223 ALA 85 CB 0.0128 -0.0089 -0.0069 1224 ALA 85 H 0.0073 -0.0033 -0.0088 1225 ALA 85 HA 0.0088 -0.0056 -0.0099 1226 ALA 85 HB1 0.0124 -0.0099 -0.0099 1227 ALA 85 HB2 0.0146 -0.0111 -0.0069 1228 ALA 85 HB3 0.0138 -0.0085 -0.0037 1229 GLY 86 N 0.0094 -0.0008 0.0014 1230 GLY 86 CA 0.0095 0.0016 0.0075 1231 GLY 86 C 0.0071 0.0053 0.0072 1232 GLY 86 O 0.0079 0.0054 0.0107 1233 GLY 86 H 0.0090 -0.0007 0.0000 1234 GLY 86 HA2 0.0120 -0.0015 0.0102 1235 GLY 86 HA3 0.0086 0.0037 0.0096 1236 SER 87 N 0.0037 0.0075 0.0044 1237 SER 87 CA 0.0008 0.0111 0.0035 1238 SER 87 C 0.0024 0.0086 0.0017 1239 SER 87 O 0.0016 0.0101 0.0036 1240 SER 87 CB -0.0023 0.0140 -0.0013 1241 SER 87 OG -0.0052 0.0175 -0.0020 1242 SER 87 H 0.0034 0.0074 0.0020 1243 SER 87 HA -0.0002 0.0134 0.0075 1244 SER 87 HB2 -0.0034 0.0157 -0.0001 1245 SER 87 HB3 -0.0013 0.0117 -0.0053 1246 SER 87 HG -0.0071 0.0194 -0.0050 1247 ILE 88 N 0.0043 0.0055 -0.0020 1248 ILE 88 CA 0.0060 0.0026 -0.0039 1249 ILE 88 C 0.0087 0.0011 0.0010 1250 ILE 88 O 0.0088 0.0011 0.0015 1251 ILE 88 CB 0.0080 -0.0014 -0.0081 1252 ILE 88 CG1 0.0053 0.0002 -0.0127 1253 ILE 88 CG2 0.0094 -0.0041 -0.0104 1254 ILE 88 CD1 0.0074 -0.0039 -0.0167 1255 ILE 88 H 0.0046 0.0046 -0.0034 1256 ILE 88 HA 0.0039 0.0046 -0.0058 1257 ILE 88 HB 0.0102 -0.0035 -0.0061 1258 ILE 88 HG12 0.0032 0.0020 -0.0149 1259 ILE 88 HG13 0.0041 0.0023 -0.0110 1260 ILE 88 HG21 0.0112 -0.0052 -0.0071 1261 ILE 88 HG22 0.0108 -0.0070 -0.0133 1262 ILE 88 HG23 0.0072 -0.0020 -0.0124 1263 ILE 88 HD11 0.0058 -0.0028 -0.0191 1264 ILE 88 HD12 0.0077 -0.0053 -0.0193 1265 ILE 88 HD13 0.0100 -0.0063 -0.0144 1266 ALA 89 N 0.0116 0.0001 0.0041 1267 ALA 89 CA 0.0142 -0.0015 0.0091 1268 ALA 89 C 0.0115 0.0022 0.0121 1269 ALA 89 O 0.0127 0.0013 0.0137 1270 ALA 89 CB 0.0163 -0.0027 0.0136 1271 ALA 89 H 0.0116 -0.0000 0.0038 1272 ALA 89 HA 0.0166 -0.0045 0.0075 1273 ALA 89 HB1 0.0180 -0.0036 0.0174 1274 ALA 89 HB2 0.0140 0.0002 0.0150 1275 ALA 89 HB3 0.0184 -0.0055 0.0116 1276 ALA 90 N 0.0084 0.0066 0.0140 1277 ALA 90 CA 0.0058 0.0098 0.0164 1278 ALA 90 C 0.0045 0.0098 0.0125 1279 ALA 90 O 0.0048 0.0101 0.0141 1280 ALA 90 CB 0.0019 0.0137 0.0174 1281 ALA 90 H 0.0074 0.0072 0.0130 1282 ALA 90 HA 0.0075 0.0092 0.0202 1283 ALA 90 HB1 0.0028 0.0136 0.0202 1284 ALA 90 HB2 0.0000 0.0160 0.0193 1285 ALA 90 HB3 0.0002 0.0143 0.0136 1286 ALA 91 N 0.0033 0.0099 0.0069 1287 ALA 91 CA 0.0021 0.0099 0.0032 1288 ALA 91 C 0.0055 0.0067 0.0037 1289 ALA 91 O 0.0049 0.0072 0.0037 1290 ALA 91 CB 0.0011 0.0093 -0.0024 1291 ALA 91 H 0.0031 0.0097 0.0056 1292 ALA 91 HA -0.0003 0.0128 0.0041 1293 ALA 91 HB1 -0.0015 0.0117 -0.0029 1294 ALA 91 HB2 0.0005 0.0090 -0.0051 1295 ALA 91 HB3 0.0034 0.0066 -0.0032 1296 THR 92 N 0.0080 0.0041 0.0029 1297 THR 92 CA 0.0114 0.0010 0.0032 1298 THR 92 C 0.0125 0.0016 0.0087 1299 THR 92 O 0.0130 0.0013 0.0094 1300 THR 92 CB 0.0149 -0.0027 0.0019 1301 THR 92 OG1 0.0137 -0.0029 -0.0026 1302 THR 92 CG2 0.0181 -0.0060 0.0011 1303 THR 92 H 0.0085 0.0037 0.0030 1304 THR 92 HA 0.0106 0.0009 0.0005 1305 THR 92 HB 0.0161 -0.0029 0.0051 1306 THR 92 HG1 0.0154 -0.0044 -0.0025 1307 THR 92 HG21 0.0207 -0.0085 0.0007 1308 THR 92 HG22 0.0171 -0.0060 -0.0023 1309 THR 92 HG23 0.0188 -0.0056 0.0044 1310 GLY 93 N 0.0127 0.0045 0.0118 1311 GLY 93 CA 0.0142 0.0053 0.0159 1312 GLY 93 C 0.0114 0.0082 0.0171 1313 GLY 93 O 0.0095 0.0106 0.0186 1314 GLY 93 H 0.0119 0.0049 0.0114 1315 GLY 93 HA2 0.0163 0.0035 0.0159 1316 GLY 93 HA3 0.0150 0.0057 0.0180 1317 PHE 94 N 0.0116 0.0103 0.0146 1318 PHE 94 CA 0.0098 0.0119 0.0152 1319 PHE 94 C 0.0107 0.0140 0.0186 1320 PHE 94 O 0.0134 0.0137 0.0202 1321 PHE 94 CB 0.0106 0.0103 0.0139 1322 PHE 94 CG 0.0100 0.0081 0.0107 1323 PHE 94 CD1 0.0124 0.0058 0.0096 1324 PHE 94 CD2 0.0070 0.0082 0.0087 1325 PHE 94 CE1 0.0118 0.0037 0.0066 1326 PHE 94 CE2 0.0063 0.0062 0.0057 1327 PHE 94 CZ 0.0087 0.0039 0.0047 1328 PHE 94 H 0.0131 0.0085 0.0135 1329 PHE 94 HA 0.0072 0.0127 0.0143 1330 PHE 94 HB2 0.0132 0.0096 0.0149 1331 PHE 94 HB3 0.0092 0.0114 0.0142 1332 PHE 94 HD1 0.0147 0.0057 0.0112 1333 PHE 94 HD2 0.0051 0.0100 0.0095 1334 PHE 94 HE1 0.0136 0.0020 0.0059 1335 PHE 94 HE2 0.0040 0.0063 0.0041 1336 PHE 94 HZ 0.0083 0.0023 0.0023 1337 VAL 95 N 0.0083 0.0121 0.0190 1338 VAL 95 CA 0.0089 0.0139 0.0217 1339 VAL 95 C 0.0133 0.0145 0.0170 1340 VAL 95 O 0.0121 0.0115 0.0126 1341 VAL 95 CB 0.0031 0.0107 0.0233 1342 VAL 95 CG1 -0.0006 0.0113 0.0296 1343 VAL 95 CG2 -0.0001 0.0060 0.0183 1344 VAL 95 H 0.0045 0.0095 0.0190 1345 VAL 95 HA 0.0104 0.0170 0.0259 1346 VAL 95 HB 0.0037 0.0112 0.0235 1347 VAL 95 HG11 0.0014 0.0145 0.0332 1348 VAL 95 HG12 -0.0048 0.0088 0.0304 1349 VAL 95 HG13 -0.0008 0.0111 0.0295 1350 VAL 95 HG21 -0.0036 0.0038 0.0187 1351 VAL 95 HG22 0.0029 0.0057 0.0137 1352 VAL 95 HG23 -0.0016 0.0052 0.0188 1353 LYS 96 N 0.0225 0.0180 0.0216 1354 LYS 96 CA 0.0238 0.0212 0.0115 1355 LYS 96 C 0.0138 0.0137 0.0079 1356 LYS 96 O 0.0071 0.0066 0.0148 1357 LYS 96 CB 0.0322 0.0272 0.0167 1358 LYS 96 CG 0.0364 0.0331 0.0054 1359 LYS 96 CD 0.0453 0.0394 0.0108 1360 LYS 96 CE 0.0492 0.0451 -0.0004 1361 LYS 96 NZ 0.0534 0.0505 -0.0091 1362 LYS 96 H 0.0277 0.0207 0.0292 1363 LYS 96 HA 0.0258 0.0248 0.0030 1364 LYS 96 HB2 0.0383 0.0310 0.0224 1365 LYS 96 HB3 0.0292 0.0234 0.0227 1366 LYS 96 HG2 0.0305 0.0294 0.0001 1367 LYS 96 HG3 0.0389 0.0366 -0.0009 1368 LYS 96 HD2 0.0513 0.0434 0.0157 1369 LYS 96 HD3 0.0429 0.0359 0.0175 1370 LYS 96 HE2 0.0551 0.0492 0.0034 1371 LYS 96 HE3 0.0430 0.0411 -0.0058 1372 LYS 96 HZ1 0.0611 0.0569 -0.0090 1373 LYS 96 HZ2 0.0522 0.0488 -0.0060 1374 LYS 96 HZ3 0.0497 0.0494 -0.0185 1375 LYS 97 N 0.0088 0.0148 -0.0045 1376 LYS 97 CA 0.0023 0.0093 -0.0078 1377 LYS 97 C 0.0008 0.0120 -0.0142 1378 LYS 97 O 0.0003 0.0159 -0.0205 1379 LYS 97 CB -0.0014 0.0072 -0.0112 1380 LYS 97 CG 0.0018 0.0136 -0.0148 1381 LYS 97 CD -0.0026 0.0120 -0.0201 1382 LYS 97 CE -0.0047 0.0062 -0.0155 1383 LYS 97 NZ -0.0102 -0.0005 -0.0154 1384 LYS 97 H 0.0110 0.0196 -0.0075 1385 LYS 97 HA 0.0013 0.0049 -0.0034 1386 LYS 97 HB2 -0.0058 0.0049 -0.0155 1387 LYS 97 HB3 -0.0017 0.0035 -0.0066 1388 LYS 97 HG2 0.0056 0.0150 -0.0103 1389 LYS 97 HG3 0.0034 0.0178 -0.0181 1390 LYS 97 HD2 -0.0004 0.0166 -0.0228 1391 LYS 97 HD3 -0.0064 0.0106 -0.0245 1392 LYS 97 HE2 -0.0013 0.0063 -0.0097 1393 LYS 97 HE3 -0.0058 0.0068 -0.0182 1394 LYS 97 HZ1 -0.0094 -0.0008 -0.0137 1395 LYS 97 HZ2 -0.0138 -0.0010 -0.0209 1396 LYS 97 HZ3 -0.0112 -0.0045 -0.0115 1397 ASP 98 N -0.0036 0.0069 -0.0152 1398 ASP 98 CA -0.0089 0.0094 -0.0216 1399 ASP 98 C -0.0162 0.0036 -0.0262 1400 ASP 98 O -0.0179 -0.0043 -0.0245 1401 ASP 98 CB -0.0075 0.0081 -0.0196 1402 ASP 98 CG -0.0117 0.0128 -0.0258 1403 ASP 98 OD1 -0.0176 0.0123 -0.0314 1404 ASP 98 OD2 -0.0089 0.0167 -0.0247 1405 ASP 98 H -0.0018 0.0020 -0.0113 1406 ASP 98 HA -0.0087 0.0164 -0.0243 1407 ASP 98 HB2 -0.0021 0.0110 -0.0155 1408 ASP 98 HB3 -0.0090 0.0011 -0.0180 1409 GLN 99 N -0.0176 0.0077 -0.0304 1410 GLN 99 CA -0.0213 0.0040 -0.0338 1411 GLN 99 C -0.0234 0.0073 -0.0380 1412 GLN 99 O -0.0266 0.0061 -0.0418 1413 GLN 99 CB -0.0209 -0.0008 -0.0315 1414 GLN 99 CG -0.0181 0.0015 -0.0286 1415 GLN 99 CD -0.0185 -0.0027 -0.0275 1416 GLN 99 OE1 -0.0201 -0.0023 -0.0298 1417 GLN 99 NE2 -0.0172 -0.0068 -0.0241 1418 GLN 99 H -0.0169 0.0115 -0.0309 1419 GLN 99 HA -0.0226 0.0023 -0.0350 1420 GLN 99 HB2 -0.0235 -0.0027 -0.0341 1421 GLN 99 HB3 -0.0202 -0.0038 -0.0293 1422 GLN 99 HG2 -0.0155 0.0023 -0.0254 1423 GLN 99 HG3 -0.0184 0.0053 -0.0305 1424 GLN 99 HE21 -0.0159 -0.0072 -0.0222 1425 GLN 99 HE22 -0.0175 -0.0096 -0.0233 1426 LEU 100 N -0.0220 0.0134 -0.0366 1427 LEU 100 CA -0.0219 0.0134 -0.0375 1428 LEU 100 C -0.0201 0.0123 -0.0378 1429 LEU 100 O -0.0191 0.0116 -0.0379 1430 LEU 100 CB -0.0227 0.0140 -0.0395 1431 LEU 100 CG -0.0245 0.0152 -0.0392 1432 LEU 100 CD1 -0.0253 0.0157 -0.0412 1433 LEU 100 CD2 -0.0254 0.0157 -0.0384 1434 LEU 100 H -0.0216 0.0132 -0.0373 1435 LEU 100 HA -0.0225 0.0138 -0.0366 1436 LEU 100 HB2 -0.0222 0.0137 -0.0403 1437 LEU 100 HB3 -0.0225 0.0139 -0.0402 1438 LEU 100 HG -0.0247 0.0153 -0.0383 1439 LEU 100 HD11 -0.0248 0.0155 -0.0422 1440 LEU 100 HD12 -0.0249 0.0155 -0.0416 1441 LEU 100 HD13 -0.0266 0.0166 -0.0411 1442 LEU 100 HD21 -0.0249 0.0154 -0.0391 1443 LEU 100 HD22 -0.0267 0.0166 -0.0387 1444 LEU 100 HD23 -0.0253 0.0156 -0.0369 1445 GLY 101 N -0.0181 0.0044 -0.0338 1446 GLY 101 CA -0.0172 -0.0074 -0.0319 1447 GLY 101 C -0.0166 -0.0144 -0.0305 1448 GLY 101 O -0.0160 -0.0244 -0.0292 1449 GLY 101 H -0.0153 0.0080 -0.0297 1450 GLY 101 HA2 -0.0210 -0.0106 -0.0377 1451 GLY 101 HA3 -0.0132 -0.0079 -0.0256 1452 LYS 102 N -0.0165 -0.0055 -0.0303 1453 LYS 102 CA -0.0161 -0.0081 -0.0277 1454 LYS 102 C -0.0141 -0.0181 -0.0141 1455 LYS 102 O -0.0152 -0.0316 -0.0149 1456 LYS 102 CB -0.0194 -0.0157 -0.0410 1457 LYS 102 CG -0.0191 -0.0143 -0.0404 1458 LYS 102 CD -0.0224 -0.0206 -0.0545 1459 LYS 102 CE -0.0222 -0.0181 -0.0543 1460 LYS 102 NZ -0.0201 -0.0260 -0.0413 1461 LYS 102 H -0.0162 0.0047 -0.0322 1462 LYS 102 HA -0.0151 0.0025 -0.0260 1463 LYS 102 HB2 -0.0210 -0.0104 -0.0509 1464 LYS 102 HB3 -0.0201 -0.0274 -0.0409 1465 LYS 102 HG2 -0.0177 -0.0205 -0.0310 1466 LYS 102 HG3 -0.0181 -0.0027 -0.0395 1467 LYS 102 HD2 -0.0239 -0.0149 -0.0639 1468 LYS 102 HD3 -0.0233 -0.0324 -0.0550 1469 LYS 102 HE2 -0.0213 -0.0063 -0.0537 1470 LYS 102 HE3 -0.0245 -0.0226 -0.0642 1471 LYS 102 HZ1 -0.0178 -0.0200 -0.0319 1472 LYS 102 HZ2 -0.0207 -0.0366 -0.0404 1473 LYS 102 HZ3 -0.0204 -0.0269 -0.0426 1474 ASN 103 N -0.0098 -0.0125 0.0048 1475 ASN 103 CA -0.0083 -0.0206 0.0174 1476 ASN 103 C -0.0069 -0.0123 0.0266 1477 ASN 103 O -0.0054 -0.0068 0.0369 1478 ASN 103 CB -0.0073 -0.0236 0.0249 1479 ASN 103 CG -0.0087 -0.0324 0.0159 1480 ASN 103 OD1 -0.0096 -0.0429 0.0108 1481 ASN 103 ND2 -0.0089 -0.0285 0.0138 1482 ASN 103 H -0.0096 -0.0025 0.0054 1483 ASN 103 HA -0.0088 -0.0302 0.0148 1484 ASN 103 HB2 -0.0068 -0.0140 0.0272 1485 ASN 103 HB3 -0.0062 -0.0290 0.0343 1486 ASN 103 HD21 -0.0082 -0.0200 0.0179 1487 ASN 103 HD22 -0.0098 -0.0341 0.0080 1488 GLU 104 N -0.0059 -0.0142 0.0272 1489 GLU 104 CA -0.0026 -0.0097 0.0344 1490 GLU 104 C -0.0045 -0.0131 0.0423 1491 GLU 104 O -0.0021 -0.0098 0.0474 1492 GLU 104 CB -0.0017 -0.0085 0.0351 1493 GLU 104 CG -0.0060 -0.0151 0.0377 1494 GLU 104 CD -0.0101 -0.0208 0.0316 1495 GLU 104 OE1 -0.0094 -0.0193 0.0242 1496 GLU 104 OE2 -0.0137 -0.0264 0.0343 1497 GLU 104 H -0.0074 -0.0163 0.0242 1498 GLU 104 HA 0.0006 -0.0049 0.0334 1499 GLU 104 HB2 0.0010 -0.0046 0.0397 1500 GLU 104 HB3 -0.0008 -0.0067 0.0292 1501 GLU 104 HG2 -0.0069 -0.0167 0.0439 1502 GLU 104 HG3 -0.0054 -0.0141 0.0378 1503 GLU 105 N -0.0090 -0.0198 0.0447 1504 GLU 105 CA -0.0102 -0.0203 0.0461 1505 GLU 105 C -0.0079 -0.0211 0.0449 1506 GLU 105 O -0.0067 -0.0196 0.0427 1507 GLU 105 CB -0.0127 -0.0175 0.0459 1508 GLU 105 CG -0.0156 -0.0179 0.0485 1509 GLU 105 CD -0.0180 -0.0150 0.0482 1510 GLU 105 OE1 -0.0180 -0.0131 0.0468 1511 GLU 105 OE2 -0.0198 -0.0147 0.0495 1512 GLU 105 H -0.0070 -0.0204 0.0435 1513 GLU 105 HA -0.0110 -0.0220 0.0480 1514 GLU 105 HB2 -0.0128 -0.0157 0.0447 1515 GLU 105 HB3 -0.0124 -0.0170 0.0453 1516 GLU 105 HG2 -0.0157 -0.0193 0.0497 1517 GLU 105 HG3 -0.0157 -0.0189 0.0494 1518 GLY 106 N -0.0056 -0.0244 0.0453 1519 GLY 106 CA -0.0007 -0.0235 0.0436 1520 GLY 106 C -0.0016 -0.0212 0.0401 1521 GLY 106 O 0.0010 -0.0211 0.0397 1522 GLY 106 H -0.0070 -0.0260 0.0481 1523 GLY 106 HA2 0.0015 -0.0227 0.0423 1524 GLY 106 HA3 0.0014 -0.0252 0.0462 1525 ALA 107 N -0.0037 -0.0155 0.0457 1526 ALA 107 CA -0.0034 -0.0143 0.0391 1527 ALA 107 C -0.0019 -0.0126 0.0370 1528 ALA 107 O 0.0014 -0.0092 0.0342 1529 ALA 107 CB 0.0001 -0.0109 0.0376 1530 ALA 107 H -0.0064 -0.0183 0.0473 1531 ALA 107 HA -0.0066 -0.0169 0.0368 1532 ALA 107 HB1 -0.0012 -0.0122 0.0383 1533 ALA 107 HB2 0.0007 -0.0096 0.0330 1534 ALA 107 HB3 0.0032 -0.0085 0.0405 1535 PRO 108 N -0.0033 -0.0161 0.0420 1536 PRO 108 CA -0.0022 -0.0160 0.0431 1537 PRO 108 C -0.0065 -0.0151 0.0340 1538 PRO 108 O -0.0129 -0.0175 0.0345 1539 PRO 108 CB -0.0077 -0.0204 0.0519 1540 PRO 108 CG -0.0156 -0.0230 0.0513 1541 PRO 108 CD -0.0113 -0.0204 0.0472 1542 PRO 108 HA 0.0052 -0.0139 0.0447 1543 PRO 108 HB2 -0.0106 -0.0213 0.0515 1544 PRO 108 HB3 -0.0032 -0.0206 0.0586 1545 PRO 108 HG2 -0.0215 -0.0238 0.0465 1546 PRO 108 HG3 -0.0179 -0.0258 0.0585 1547 PRO 108 HD2 -0.0166 -0.0209 0.0423 1548 PRO 108 HD3 -0.0088 -0.0211 0.0531 1549 GLN 109 N 0.0012 -0.0075 0.0104 1550 GLN 109 CA 0.0008 -0.0094 0.0006 1551 GLN 109 C 0.0018 -0.0060 -0.0074 1552 GLN 109 O 0.0008 -0.0101 -0.0089 1553 GLN 109 CB 0.0022 -0.0042 -0.0005 1554 GLN 109 CG 0.0010 -0.0085 0.0066 1555 GLN 109 CD 0.0024 -0.0033 0.0055 1556 GLN 109 OE1 0.0028 -0.0020 -0.0025 1557 GLN 109 NE2 0.0031 -0.0003 0.0133 1558 GLN 109 H 0.0022 -0.0037 0.0152 1559 GLN 109 HA -0.0012 -0.0169 -0.0003 1560 GLN 109 HB2 0.0042 0.0032 0.0013 1561 GLN 109 HB3 0.0021 -0.0049 -0.0079 1562 GLN 109 HG2 -0.0009 -0.0159 0.0049 1563 GLN 109 HG3 0.0011 -0.0077 0.0140 1564 GLN 109 HE21 0.0028 -0.0013 0.0198 1565 GLN 109 HE22 0.0040 0.0030 0.0127 1566 GLU 110 N 0.0051 0.0035 -0.0167 1567 GLU 110 CA 0.0056 0.0081 -0.0275 1568 GLU 110 C 0.0041 0.0183 -0.0295 1569 GLU 110 O 0.0038 0.0247 -0.0365 1570 GLU 110 CB 0.0080 -0.0001 -0.0361 1571 GLU 110 CG 0.0086 0.0040 -0.0471 1572 GLU 110 CD 0.0111 -0.0045 -0.0556 1573 GLU 110 OE1 0.0118 -0.0084 -0.0558 1574 GLU 110 OE2 0.0122 -0.0068 -0.0617 1575 GLU 110 H 0.0041 0.0064 -0.0125 1576 GLU 110 HA 0.0053 0.0100 -0.0279 1577 GLU 110 HB2 0.0091 -0.0076 -0.0342 1578 GLU 110 HB3 0.0082 -0.0012 -0.0364 1579 GLU 110 HG2 0.0077 0.0113 -0.0493 1580 GLU 110 HG3 0.0083 0.0055 -0.0468 1581 GLY 111 N 0.0020 0.0181 -0.0232 1582 GLY 111 CA -0.0008 0.0240 -0.0232 1583 GLY 111 C -0.0028 0.0238 -0.0153 1584 GLY 111 O -0.0021 0.0196 -0.0101 1585 GLY 111 H 0.0027 0.0144 -0.0189 1586 GLY 111 HA2 -0.0029 0.0289 -0.0247 1587 GLY 111 HA3 0.0006 0.0233 -0.0273 1588 ILE 112 N -0.0057 0.0257 -0.0156 1589 ILE 112 CA -0.0086 0.0248 -0.0082 1590 ILE 112 C -0.0055 0.0185 -0.0063 1591 ILE 112 O -0.0060 0.0150 -0.0004 1592 ILE 112 CB -0.0126 0.0309 -0.0076 1593 ILE 112 CG1 -0.0108 0.0331 -0.0145 1594 ILE 112 CG2 -0.0167 0.0366 -0.0064 1595 ILE 112 CD1 -0.0113 0.0382 -0.0203 1596 ILE 112 H -0.0059 0.0288 -0.0195 1597 ILE 112 HA -0.0100 0.0244 -0.0045 1598 ILE 112 HB -0.0138 0.0295 -0.0031 1599 ILE 112 HG12 -0.0072 0.0288 -0.0166 1600 ILE 112 HG13 -0.0128 0.0354 -0.0131 1601 ILE 112 HG21 -0.0184 0.0355 -0.0010 1602 ILE 112 HG22 -0.0190 0.0412 -0.0074 1603 ILE 112 HG23 -0.0154 0.0372 -0.0100 1604 ILE 112 HD11 -0.0109 0.0372 -0.0199 1605 ILE 112 HD12 -0.0147 0.0431 -0.0195 1606 ILE 112 HD13 -0.0087 0.0377 -0.0254 1607 LEU 113 N -0.0017 0.0138 -0.0129 1608 LEU 113 CA 0.0006 0.0093 -0.0117 1609 LEU 113 C 0.0022 0.0066 -0.0112 1610 LEU 113 O 0.0025 0.0081 -0.0127 1611 LEU 113 CB 0.0039 0.0090 -0.0147 1612 LEU 113 CG 0.0024 0.0118 -0.0154 1613 LEU 113 CD1 0.0058 0.0116 -0.0185 1614 LEU 113 CD2 -0.0001 0.0104 -0.0118 1615 LEU 113 H -0.0008 0.0159 -0.0154 1616 LEU 113 HA -0.0012 0.0082 -0.0091 1617 LEU 113 HB2 0.0057 0.0100 -0.0173 1618 LEU 113 HB3 0.0055 0.0058 -0.0138 1619 LEU 113 HG 0.0008 0.0150 -0.0163 1620 LEU 113 HD11 0.0048 0.0131 -0.0187 1621 LEU 113 HD12 0.0077 0.0083 -0.0179 1622 LEU 113 HD13 0.0073 0.0131 -0.0211 1623 LEU 113 HD21 -0.0002 0.0114 -0.0125 1624 LEU 113 HD22 -0.0030 0.0117 -0.0101 1625 LEU 113 HD23 0.0010 0.0070 -0.0103 1626 GLU 114 N 0.0030 0.0032 -0.0108 1627 GLU 114 CA 0.0053 0.0010 -0.0105 1628 GLU 114 C 0.0070 0.0003 -0.0136 1629 GLU 114 O 0.0090 -0.0013 -0.0139 1630 GLU 114 CB 0.0066 -0.0006 -0.0081 1631 GLU 114 CG 0.0050 -0.0001 -0.0048 1632 GLU 114 CD 0.0062 -0.0017 -0.0024 1633 GLU 114 OE1 0.0083 -0.0036 -0.0020 1634 GLU 114 OE2 0.0050 -0.0010 -0.0010 1635 GLU 114 H 0.0024 0.0033 -0.0095 1636 GLU 114 HA 0.0050 0.0011 -0.0096 1637 GLU 114 HB2 0.0067 -0.0005 -0.0087 1638 GLU 114 HB3 0.0084 -0.0022 -0.0080 1639 GLU 114 HG2 0.0050 -0.0002 -0.0041 1640 GLU 114 HG3 0.0032 0.0015 -0.0048 1641 ASP 115 N 0.0089 0.0008 -0.0163 1642 ASP 115 CA 0.0104 -0.0009 -0.0211 1643 ASP 115 C 0.0136 -0.0031 -0.0204 1644 ASP 115 O 0.0164 -0.0054 -0.0229 1645 ASP 115 CB 0.0120 -0.0024 -0.0234 1646 ASP 115 CG 0.0125 -0.0034 -0.0287 1647 ASP 115 OD1 0.0096 -0.0017 -0.0312 1648 ASP 115 OD2 0.0157 -0.0060 -0.0301 1649 ASP 115 H 0.0061 0.0029 -0.0158 1650 ASP 115 HA 0.0079 0.0005 -0.0234 1651 ASP 115 HB2 0.0100 -0.0009 -0.0230 1652 ASP 115 HB3 0.0149 -0.0041 -0.0216 1653 MET 116 N 0.0137 0.0015 -0.0155 1654 MET 116 CA 0.0164 0.0017 -0.0136 1655 MET 116 C 0.0141 0.0025 -0.0114 1656 MET 116 O 0.0153 0.0031 -0.0084 1657 MET 116 CB 0.0191 0.0021 -0.0109 1658 MET 116 CG 0.0227 0.0020 -0.0099 1659 MET 116 SD 0.0247 0.0028 -0.0054 1660 MET 116 CE 0.0262 0.0023 -0.0069 1661 MET 116 H 0.0116 0.0020 -0.0141 1662 MET 116 HA 0.0181 0.0010 -0.0156 1663 MET 116 HB2 0.0200 0.0017 -0.0122 1664 MET 116 HB3 0.0176 0.0028 -0.0084 1665 MET 116 HG2 0.0219 0.0021 -0.0097 1666 MET 116 HG3 0.0248 0.0012 -0.0120 1667 MET 116 HE1 0.0237 0.0024 -0.0074 1668 MET 116 HE2 0.0278 0.0016 -0.0094 1669 MET 116 HE3 0.0280 0.0027 -0.0047 1670 PRO 117 N 0.0136 0.0012 -0.0137 1671 PRO 117 CA 0.0130 0.0008 -0.0119 1672 PRO 117 C 0.0153 0.0010 -0.0114 1673 PRO 117 O 0.0153 0.0006 -0.0098 1674 PRO 117 CB 0.0109 0.0007 -0.0132 1675 PRO 117 CG 0.0113 0.0014 -0.0159 1676 PRO 117 CD 0.0123 0.0016 -0.0161 1677 PRO 117 HA 0.0124 0.0003 -0.0102 1678 PRO 117 HB2 0.0110 0.0006 -0.0128 1679 PRO 117 HB3 0.0091 0.0004 -0.0128 1680 PRO 117 HG2 0.0127 0.0017 -0.0166 1681 PRO 117 HG3 0.0096 0.0013 -0.0170 1682 PRO 117 HD2 0.0136 0.0021 -0.0176 1683 PRO 117 HD3 0.0108 0.0014 -0.0163 1684 VAL 118 N 0.0179 0.0003 -0.0095 1685 VAL 118 CA 0.0155 0.0028 -0.0068 1686 VAL 118 C 0.0144 0.0052 -0.0085 1687 VAL 118 O 0.0147 0.0066 -0.0119 1688 VAL 118 CB 0.0139 0.0048 -0.0062 1689 VAL 118 CG1 0.0137 0.0071 -0.0099 1690 VAL 118 CG2 0.0114 0.0070 -0.0031 1691 VAL 118 H 0.0184 0.0001 -0.0103 1692 VAL 118 HA 0.0155 0.0013 -0.0040 1693 VAL 118 HB 0.0147 0.0030 -0.0052 1694 VAL 118 HG11 0.0154 0.0057 -0.0123 1695 VAL 118 HG12 0.0130 0.0081 -0.0097 1696 VAL 118 HG13 0.0125 0.0092 -0.0105 1697 VAL 118 HG21 0.0105 0.0090 -0.0042 1698 VAL 118 HG22 0.0104 0.0081 -0.0023 1699 VAL 118 HG23 0.0116 0.0054 -0.0005 1700 ASP 119 N 0.0133 0.0075 -0.0044 1701 ASP 119 CA 0.0117 0.0096 -0.0075 1702 ASP 119 C 0.0073 0.0134 -0.0063 1703 ASP 119 O 0.0058 0.0138 -0.0019 1704 ASP 119 CB 0.0133 0.0080 -0.0062 1705 ASP 119 CG 0.0176 0.0041 -0.0067 1706 ASP 119 OD1 0.0194 0.0034 -0.0108 1707 ASP 119 OD2 0.0191 0.0020 -0.0030 1708 ASP 119 H 0.0137 0.0064 -0.0009 1709 ASP 119 HA 0.0126 0.0097 -0.0115 1710 ASP 119 HB2 0.0121 0.0082 -0.0024 1711 ASP 119 HB3 0.0124 0.0093 -0.0088 1712 PRO 120 N 0.0049 0.0160 -0.0107 1713 PRO 120 CA 0.0003 0.0197 -0.0097 1714 PRO 120 C -0.0020 0.0213 -0.0083 1715 PRO 120 O -0.0057 0.0240 -0.0066 1716 PRO 120 CB -0.0002 0.0222 -0.0148 1717 PRO 120 CG 0.0033 0.0207 -0.0188 1718 PRO 120 CD 0.0069 0.0164 -0.0163 1719 PRO 120 HA -0.0007 0.0194 -0.0066 1720 PRO 120 HB2 -0.0032 0.0252 -0.0154 1721 PRO 120 HB3 -0.0001 0.0221 -0.0147 1722 PRO 120 HG2 0.0024 0.0220 -0.0202 1723 PRO 120 HG3 0.0041 0.0212 -0.0220 1724 PRO 120 HD2 0.0085 0.0154 -0.0176 1725 PRO 120 HD3 0.0089 0.0149 -0.0171 1726 ASP 121 N -0.0001 0.0192 -0.0098 1727 ASP 121 CA -0.0025 0.0206 -0.0097 1728 ASP 121 C -0.0046 0.0199 -0.0039 1729 ASP 121 O -0.0085 0.0219 -0.0029 1730 ASP 121 CB 0.0014 0.0191 -0.0121 1731 ASP 121 CG 0.0057 0.0154 -0.0089 1732 ASP 121 OD1 0.0058 0.0143 -0.0056 1733 ASP 121 OD2 0.0089 0.0139 -0.0100 1734 ASP 121 H 0.0034 0.0175 -0.0111 1735 ASP 121 HA -0.0054 0.0232 -0.0122 1736 ASP 121 HB2 -0.0002 0.0200 -0.0118 1737 ASP 121 HB3 0.0027 0.0197 -0.0163 1738 ASN 122 N -0.0029 0.0158 -0.0001 1739 ASN 122 CA -0.0050 0.0149 0.0054 1740 ASN 122 C -0.0016 0.0125 0.0104 1741 ASN 122 O -0.0007 0.0111 0.0144 1742 ASN 122 CB -0.0042 0.0148 0.0047 1743 ASN 122 CG 0.0021 0.0135 0.0026 1744 ASN 122 OD1 0.0036 0.0134 0.0016 1745 ASN 122 ND2 0.0057 0.0126 0.0019 1746 ASN 122 H 0.0006 0.0148 -0.0003 1747 ASN 122 HA -0.0095 0.0159 0.0064 1748 ASN 122 HB2 -0.0052 0.0140 0.0088 1749 ASN 122 HB3 -0.0070 0.0165 0.0015 1750 ASN 122 HD21 0.0045 0.0128 0.0027 1751 ASN 122 HD22 0.0098 0.0118 0.0006 1752 GLU 123 N -0.0003 0.0129 0.0098 1753 GLU 123 CA 0.0033 0.0106 0.0148 1754 GLU 123 C 0.0097 0.0083 0.0149 1755 GLU 123 O 0.0144 0.0067 0.0145 1756 GLU 123 CB -0.0003 0.0104 0.0215 1757 GLU 123 CG 0.0015 0.0088 0.0260 1758 GLU 123 CD 0.0084 0.0062 0.0272 1759 GLU 123 OE1 0.0104 0.0052 0.0283 1760 GLU 123 OE2 0.0115 0.0051 0.0270 1761 GLU 123 H -0.0014 0.0140 0.0060 1762 GLU 123 HA 0.0038 0.0106 0.0137 1763 GLU 123 HB2 -0.0052 0.0123 0.0209 1764 GLU 123 HB3 0.0009 0.0096 0.0236 1765 GLU 123 HG2 0.0006 0.0096 0.0238 1766 GLU 123 HG3 -0.0012 0.0089 0.0305 1767 ALA 124 N 0.0094 0.0085 0.0158 1768 ALA 124 CA 0.0154 0.0073 0.0156 1769 ALA 124 C 0.0150 0.0078 0.0127 1770 ALA 124 O 0.0120 0.0091 0.0083 1771 ALA 124 CB 0.0176 0.0059 0.0220 1772 ALA 124 H 0.0058 0.0092 0.0157 1773 ALA 124 HA 0.0184 0.0071 0.0130 1774 ALA 124 HB1 0.0221 0.0051 0.0218 1775 ALA 124 HB2 0.0147 0.0061 0.0245 1776 ALA 124 HB3 0.0177 0.0056 0.0241 1777 TYR 125 N 0.0168 0.0099 0.0138 1778 TYR 125 CA 0.0170 0.0101 0.0100 1779 TYR 125 C 0.0100 0.0108 0.0093 1780 TYR 125 O 0.0072 0.0114 0.0040 1781 TYR 125 CB 0.0210 0.0095 0.0139 1782 TYR 125 CG 0.0280 0.0089 0.0144 1783 TYR 125 CD1 0.0297 0.0084 0.0194 1784 TYR 125 CD2 0.0328 0.0088 0.0100 1785 TYR 125 CE1 0.0362 0.0078 0.0199 1786 TYR 125 CE2 0.0392 0.0082 0.0105 1787 TYR 125 CZ 0.0409 0.0077 0.0154 1788 TYR 125 OH 0.0473 0.0071 0.0159 1789 TYR 125 H 0.0194 0.0094 0.0177 1790 TYR 125 HA 0.0191 0.0103 0.0053 1791 TYR 125 HB2 0.0190 0.0093 0.0187 1792 TYR 125 HB3 0.0210 0.0097 0.0113 1793 TYR 125 HD1 0.0260 0.0084 0.0228 1794 TYR 125 HD2 0.0314 0.0092 0.0061 1795 TYR 125 HE1 0.0375 0.0074 0.0237 1796 TYR 125 HE2 0.0429 0.0081 0.0070 1797 TYR 125 HH 0.0479 0.0067 0.0203 1798 GLU 126 N 0.0056 0.0107 0.0150 1799 GLU 126 CA -0.0002 0.0103 0.0142 1800 GLU 126 C -0.0030 0.0095 0.0198 1801 GLU 126 O -0.0030 0.0093 0.0226 1802 GLU 126 CB -0.0003 0.0105 0.0117 1803 GLU 126 CG 0.0016 0.0113 0.0058 1804 GLU 126 CD 0.0013 0.0115 0.0034 1805 GLU 126 OE1 -0.0004 0.0111 0.0063 1806 GLU 126 OE2 0.0028 0.0120 -0.0014 1807 GLU 126 H 0.0075 0.0106 0.0184 1808 GLU 126 HA -0.0024 0.0104 0.0116 1809 GLU 126 HB2 0.0024 0.0106 0.0141 1810 GLU 126 HB3 -0.0044 0.0102 0.0119 1811 GLU 126 HG2 -0.0011 0.0113 0.0035 1812 GLU 126 HG3 0.0057 0.0116 0.0056 1813 MET 127 N -0.0054 0.0090 0.0219 1814 MET 127 CA -0.0091 0.0076 0.0292 1815 MET 127 C -0.0036 0.0083 0.0348 1816 MET 127 O 0.0028 0.0099 0.0331 1817 MET 127 CB -0.0159 0.0062 0.0279 1818 MET 127 CG -0.0187 0.0063 0.0197 1819 MET 127 SD -0.0284 0.0042 0.0191 1820 MET 127 CE -0.0319 0.0033 0.0199 1821 MET 127 H -0.0054 0.0092 0.0194 1822 MET 127 HA -0.0109 0.0070 0.0313 1823 MET 127 HB2 -0.0145 0.0064 0.0291 1824 MET 127 HB3 -0.0203 0.0049 0.0315 1825 MET 127 HG2 -0.0179 0.0066 0.0176 1826 MET 127 HG3 -0.0157 0.0073 0.0162 1827 MET 127 HE1 -0.0291 0.0035 0.0245 1828 MET 127 HE2 -0.0377 0.0019 0.0210 1829 MET 127 HE3 -0.0310 0.0040 0.0148 1830 PRO 128 N -0.0059 0.0076 0.0443 1831 PRO 128 CA 0.0004 0.0106 0.0504 1832 PRO 128 C 0.0051 0.0149 0.0428 1833 PRO 128 O 0.0022 0.0146 0.0335 1834 PRO 128 CB -0.0060 0.0053 0.0574 1835 PRO 128 CG -0.0138 0.0001 0.0585 1836 PRO 128 CD -0.0152 0.0010 0.0479 1837 PRO 128 HA 0.0055 0.0130 0.0555 1838 PRO 128 HB2 -0.0084 0.0044 0.0534 1839 PRO 128 HB3 -0.0025 0.0062 0.0652 1840 PRO 128 HG2 -0.0199 -0.0041 0.0599 1841 PRO 128 HG3 -0.0121 0.0001 0.0651 1842 PRO 128 HD2 -0.0198 -0.0011 0.0423 1843 PRO 128 HD3 -0.0176 -0.0008 0.0493 1844 SER 129 N 0.0143 0.0265 0.0467 1845 SER 129 CA 0.0186 0.0345 0.0356 1846 SER 129 C 0.0119 0.0285 0.0256 1847 SER 129 O 0.0117 0.0311 0.0132 1848 SER 129 CB 0.0264 0.0425 0.0423 1849 SER 129 OG 0.0231 0.0366 0.0501 1850 SER 129 H 0.0168 0.0273 0.0565 1851 SER 129 HA 0.0211 0.0390 0.0298 1852 SER 129 HB2 0.0294 0.0482 0.0343 1853 SER 129 HB3 0.0313 0.0470 0.0490 1854 SER 129 HG 0.0205 0.0349 0.0438 1855 GLU 130 N 0.0023 0.0218 0.0261 1856 GLU 130 CA -0.0017 0.0153 0.0159 1857 GLU 130 C -0.0020 0.0233 0.0051 1858 GLU 130 O 0.0007 0.0332 0.0056 1859 GLU 130 CB -0.0046 0.0057 0.0141 1860 GLU 130 CG -0.0039 0.0105 0.0115 1861 GLU 130 CD -0.0071 0.0007 0.0089 1862 GLU 130 OE1 -0.0097 -0.0086 0.0079 1863 GLU 130 OE2 -0.0067 0.0027 0.0079 1864 GLU 130 H 0.0034 0.0197 0.0335 1865 GLU 130 HA -0.0023 0.0117 0.0173 1866 GLU 130 HB2 -0.0074 0.0009 0.0071 1867 GLU 130 HB3 -0.0043 0.0003 0.0218 1868 GLU 130 HG2 -0.0012 0.0146 0.0189 1869 GLU 130 HG3 -0.0039 0.0164 0.0043 1870 GLU 131 N -0.0091 0.0176 -0.0130 1871 GLU 131 CA -0.0141 0.0272 -0.0248 1872 GLU 131 C -0.0144 0.0250 -0.0273 1873 GLU 131 O -0.0174 0.0235 -0.0394 1874 GLU 131 CB -0.0171 0.0230 -0.0387 1875 GLU 131 CG -0.0174 0.0272 -0.0368 1876 GLU 131 CD -0.0202 0.0222 -0.0504 1877 GLU 131 OE1 -0.0217 0.0159 -0.0603 1878 GLU 131 OE2 -0.0208 0.0248 -0.0507 1879 GLU 131 H -0.0071 0.0074 -0.0130 1880 GLU 131 HA -0.0155 0.0387 -0.0217 1881 GLU 131 HB2 -0.0155 0.0113 -0.0410 1882 GLU 131 HB3 -0.0207 0.0288 -0.0475 1883 GLU 131 HG2 -0.0192 0.0390 -0.0351 1884 GLU 131 HG3 -0.0139 0.0219 -0.0276 1885 GLY 132 N -0.0112 0.0189 -0.0187 1886 GLY 132 CA -0.0104 0.0147 -0.0199 1887 GLY 132 C -0.0082 0.0030 -0.0235 1888 GLY 132 O -0.0066 -0.0039 -0.0182 1889 GLY 132 H -0.0113 0.0201 -0.0115 1890 GLY 132 HA2 -0.0103 0.0152 -0.0122 1891 GLY 132 HA3 -0.0115 0.0192 -0.0259 1892 TYR 133 N -0.0102 0.0021 -0.0323 1893 TYR 133 CA -0.0071 -0.0121 -0.0375 1894 TYR 133 C -0.0065 -0.0141 -0.0378 1895 TYR 133 O -0.0097 -0.0141 -0.0483 1896 TYR 133 CB -0.0011 -0.0217 -0.0283 1897 TYR 133 CG 0.0012 -0.0355 -0.0358 1898 TYR 133 CD1 0.0035 -0.0441 -0.0378 1899 TYR 133 CD2 0.0010 -0.0396 -0.0409 1900 TYR 133 CE1 0.0056 -0.0569 -0.0448 1901 TYR 133 CE2 0.0032 -0.0523 -0.0479 1902 TYR 133 CZ 0.0054 -0.0610 -0.0498 1903 TYR 133 OH 0.0075 -0.0735 -0.0568 1904 TYR 133 H -0.0138 0.0078 -0.0379 1905 TYR 133 HA -0.0095 -0.0140 -0.0477 1906 TYR 133 HB2 -0.0015 -0.0178 -0.0251 1907 TYR 133 HB3 0.0019 -0.0225 -0.0194 1908 TYR 133 HD1 0.0036 -0.0410 -0.0339 1909 TYR 133 HD2 -0.0007 -0.0329 -0.0394 1910 TYR 133 HE1 0.0074 -0.0635 -0.0463 1911 TYR 133 HE2 0.0030 -0.0555 -0.0518 1912 TYR 133 HH 0.0047 -0.0732 -0.0657 1913 GLN 134 N -0.0026 -0.0130 -0.0263 1914 GLN 134 CA -0.0012 -0.0137 -0.0236 1915 GLN 134 C 0.0002 -0.0110 -0.0140 1916 GLN 134 O 0.0037 -0.0135 -0.0092 1917 GLN 134 CB 0.0035 -0.0216 -0.0260 1918 GLN 134 CG 0.0088 -0.0262 -0.0203 1919 GLN 134 CD 0.0132 -0.0343 -0.0242 1920 GLN 134 OE1 0.0155 -0.0383 -0.0255 1921 GLN 134 NE2 0.0143 -0.0369 -0.0262 1922 GLN 134 H -0.0012 -0.0130 -0.0223 1923 GLN 134 HA -0.0047 -0.0103 -0.0267 1924 GLN 134 HB2 0.0040 -0.0218 -0.0252 1925 GLN 134 HB3 0.0028 -0.0237 -0.0325 1926 GLN 134 HG2 0.0081 -0.0249 -0.0197 1927 GLN 134 HG3 0.0102 -0.0252 -0.0142 1928 GLN 134 HE21 0.0124 -0.0337 -0.0251 1929 GLN 134 HE22 0.0171 -0.0421 -0.0287 1930 ASP 135 N -0.0020 -0.0058 -0.0146 1931 ASP 135 CA -0.0015 -0.0045 -0.0103 1932 ASP 135 C -0.0027 -0.0028 -0.0088 1933 ASP 135 O -0.0020 -0.0021 -0.0053 1934 ASP 135 CB -0.0032 -0.0024 -0.0093 1935 ASP 135 CG -0.0025 -0.0014 -0.0048 1936 ASP 135 OD1 0.0003 -0.0033 -0.0030 1937 ASP 135 OD2 -0.0046 0.0013 -0.0032 1938 ASP 135 H -0.0034 -0.0050 -0.0161 1939 ASP 135 HA 0.0009 -0.0063 -0.0089 1940 ASP 135 HB2 -0.0026 -0.0036 -0.0106 1941 ASP 135 HB3 -0.0057 -0.0005 -0.0104 1942 TYR 136 N -0.0080 -0.0001 -0.0118 1943 TYR 136 CA -0.0079 -0.0023 -0.0075 1944 TYR 136 C -0.0041 -0.0013 -0.0058 1945 TYR 136 O -0.0035 -0.0002 -0.0073 1946 TYR 136 CB -0.0117 -0.0044 -0.0070 1947 TYR 136 CG -0.0130 -0.0032 -0.0104 1948 TYR 136 CD1 -0.0114 -0.0026 -0.0102 1949 TYR 136 CD2 -0.0158 -0.0029 -0.0138 1950 TYR 136 CE1 -0.0126 -0.0015 -0.0135 1951 TYR 136 CE2 -0.0170 -0.0018 -0.0170 1952 TYR 136 CZ -0.0154 -0.0012 -0.0169 1953 TYR 136 OH -0.0165 -0.0001 -0.0200 1954 TYR 136 H -0.0076 0.0009 -0.0136 1955 TYR 136 HA -0.0077 -0.0030 -0.0058 1956 TYR 136 HB2 -0.0112 -0.0055 -0.0042 1957 TYR 136 HB3 -0.0141 -0.0055 -0.0069 1958 TYR 136 HD1 -0.0093 -0.0028 -0.0076 1959 TYR 136 HD2 -0.0170 -0.0034 -0.0140 1960 TYR 136 HE1 -0.0113 -0.0010 -0.0133 1961 TYR 136 HE2 -0.0191 -0.0015 -0.0197 1962 TYR 136 HH -0.0142 0.0015 -0.0210 1963 GLU 137 N -0.0069 0.0042 -0.0007 1964 GLU 137 CA -0.0057 0.0079 0.0058 1965 GLU 137 C -0.0038 0.0030 0.0118 1966 GLU 137 O -0.0029 0.0043 0.0162 1967 GLU 137 CB -0.0060 0.0106 0.0056 1968 GLU 137 CG -0.0071 0.0183 0.0036 1969 GLU 137 CD -0.0060 0.0228 0.0098 1970 GLU 137 OE1 -0.0048 0.0204 0.0139 1971 GLU 137 OE2 -0.0063 0.0286 0.0103 1972 GLU 137 H -0.0077 0.0040 -0.0042 1973 GLU 137 HA -0.0059 0.0122 0.0065 1974 GLU 137 HB2 -0.0066 0.0076 0.0018 1975 GLU 137 HB3 -0.0047 0.0100 0.0104 1976 GLU 137 HG2 -0.0081 0.0191 -0.0004 1977 GLU 137 HG3 -0.0076 0.0196 0.0020 1978 PRO 138 N -0.0005 -0.0022 0.0133 1979 PRO 138 CA 0.0020 -0.0081 0.0199 1980 PRO 138 C 0.0015 -0.0101 0.0192 1981 PRO 138 O -0.0011 -0.0082 0.0133 1982 PRO 138 CB 0.0009 -0.0164 0.0192 1983 PRO 138 CG -0.0029 -0.0160 0.0110 1984 PRO 138 CD -0.0030 -0.0064 0.0089 1985 PRO 138 HA 0.0049 -0.0052 0.0255 1986 PRO 138 HB2 0.0008 -0.0222 0.0203 1987 PRO 138 HB3 0.0029 -0.0164 0.0234 1988 PRO 138 HG2 -0.0050 -0.0188 0.0071 1989 PRO 138 HG3 -0.0034 -0.0193 0.0107 1990 PRO 138 HD2 -0.0058 -0.0052 0.0026 1991 PRO 138 HD3 -0.0018 -0.0041 0.0108 1992 GLU 139 N 0.0054 -0.0138 0.0269 1993 GLU 139 CA 0.0048 -0.0153 0.0264 1994 GLU 139 C -0.0007 -0.0218 0.0181 1995 GLU 139 O -0.0029 -0.0210 0.0142 1996 GLU 139 CB 0.0092 -0.0211 0.0353 1997 GLU 139 CG 0.0149 -0.0141 0.0436 1998 GLU 139 CD 0.0168 -0.0149 0.0471 1999 GLU 139 OE1 0.0136 -0.0201 0.0428 2000 GLU 139 OE2 0.0213 -0.0103 0.0540 2001 GLU 139 H 0.0084 -0.0159 0.0327 2002 GLU 139 HA 0.0053 -0.0076 0.0254 2003 GLU 139 HB2 0.0090 -0.0284 0.0366 2004 GLU 139 HB3 0.0086 -0.0229 0.0346 2005 GLU 139 HG2 0.0177 -0.0168 0.0491 2006 GLU 139 HG3 0.0147 -0.0059 0.0414 2007 ALA 140 N -0.0027 -0.0264 0.0166 2008 ALA 140 CA -0.0072 -0.0322 0.0096 2009 ALA 140 C -0.0092 -0.0338 0.0062 2010 ALA 140 O -0.0068 -0.0323 0.0106 2011 ALA 140 CB -0.0078 -0.0412 0.0127 2012 ALA 140 OXT -0.0129 -0.0364 -0.0006 2013 ALA 140 H -0.0011 -0.0264 0.0199 2014 ALA 140 HA -0.0088 -0.0290 0.0048 2015 ALA 140 HB1 -0.0060 -0.0401 0.0161 2016 ALA 140 HB2 -0.0110 -0.0449 0.0075 2017 ALA 140 HB3 -0.0067 -0.0449 0.0167