1 ALA 8 N 0.0025 0.0187 0.0112 2 ALA 8 CA 0.0019 0.0194 0.0106 3 ALA 8 C 0.0006 0.0175 0.0085 4 ALA 8 O 0.0003 0.0176 0.0082 5 ALA 8 CB 0.0011 0.0229 0.0102 6 ALA 8 HA 0.0030 0.0190 0.0119 7 ALA 8 HB1 0.0007 0.0233 0.0097 8 ALA 8 HB2 0.0021 0.0240 0.0116 9 ALA 8 HB3 0.0001 0.0233 0.0089 10 ASP 9 N -0.0001 0.0154 0.0054 11 ASP 9 CA -0.0005 0.0143 0.0044 12 ASP 9 C 0.0004 0.0140 0.0043 13 ASP 9 O -0.0002 0.0144 0.0046 14 ASP 9 CB -0.0023 0.0144 0.0040 15 ASP 9 CG -0.0027 0.0131 0.0028 16 ASP 9 OD1 -0.0018 0.0123 0.0022 17 ASP 9 OD2 -0.0038 0.0130 0.0024 18 ASP 9 H 0.0002 0.0159 0.0059 19 ASP 9 HA -0.0002 0.0137 0.0039 20 ASP 9 HB2 -0.0028 0.0147 0.0041 21 ASP 9 HB3 -0.0026 0.0149 0.0043 22 PHE 10 N -0.0003 0.0172 0.0058 23 PHE 10 CA -0.0001 0.0156 0.0056 24 PHE 10 C -0.0001 0.0152 0.0044 25 PHE 10 O -0.0002 0.0158 0.0043 26 PHE 10 CB -0.0001 0.0149 0.0071 27 PHE 10 CG -0.0001 0.0147 0.0082 28 PHE 10 CD1 0.0001 0.0136 0.0080 29 PHE 10 CD2 -0.0001 0.0156 0.0094 30 PHE 10 CE1 0.0001 0.0134 0.0090 31 PHE 10 CE2 -0.0001 0.0153 0.0105 32 PHE 10 CZ -0.0000 0.0142 0.0103 33 PHE 10 H -0.0003 0.0175 0.0065 34 PHE 10 HA -0.0001 0.0153 0.0054 35 PHE 10 HB2 -0.0001 0.0156 0.0075 36 PHE 10 HB3 0.0000 0.0140 0.0069 37 PHE 10 HD1 0.0001 0.0130 0.0072 38 PHE 10 HD2 -0.0002 0.0163 0.0096 39 PHE 10 HE1 0.0002 0.0126 0.0089 40 PHE 10 HE2 -0.0002 0.0159 0.0113 41 PHE 10 HZ 0.0000 0.0141 0.0110 42 ILE 11 N -0.0004 0.0140 0.0041 43 ILE 11 CA -0.0003 0.0137 0.0033 44 ILE 11 C 0.0003 0.0130 0.0033 45 ILE 11 O 0.0006 0.0128 0.0038 46 ILE 11 CB -0.0006 0.0139 0.0029 47 ILE 11 CG1 -0.0012 0.0146 0.0029 48 ILE 11 CG2 -0.0004 0.0136 0.0021 49 ILE 11 CD1 -0.0015 0.0149 0.0024 50 ILE 11 H -0.0003 0.0139 0.0045 51 ILE 11 HA -0.0005 0.0138 0.0030 52 ILE 11 HB -0.0004 0.0138 0.0032 53 ILE 11 HG12 -0.0013 0.0148 0.0034 54 ILE 11 HG13 -0.0013 0.0147 0.0027 55 ILE 11 HG21 -0.0007 0.0138 0.0018 56 ILE 11 HG22 -0.0001 0.0131 0.0021 57 ILE 11 HG23 -0.0005 0.0136 0.0018 58 ILE 11 HD11 -0.0019 0.0153 0.0024 59 ILE 11 HD12 -0.0014 0.0147 0.0019 60 ILE 11 HD13 -0.0014 0.0148 0.0026 61 GLY 12 N 0.0005 0.0121 0.0032 62 GLY 12 CA 0.0008 0.0107 0.0032 63 GLY 12 C 0.0008 0.0101 0.0020 64 GLY 12 O 0.0005 0.0105 0.0009 65 GLY 12 H 0.0003 0.0125 0.0030 66 GLY 12 HA2 0.0010 0.0104 0.0040 67 GLY 12 HA3 0.0009 0.0104 0.0032 68 ILE 13 N 0.0005 0.0086 0.0024 69 ILE 13 CA 0.0005 0.0080 0.0013 70 ILE 13 C 0.0003 0.0068 0.0013 71 ILE 13 O 0.0002 0.0062 0.0005 72 ILE 13 CB 0.0005 0.0079 0.0008 73 ILE 13 CG1 0.0003 0.0074 0.0016 74 ILE 13 CG2 0.0008 0.0091 0.0006 75 ILE 13 CD1 0.0003 0.0071 0.0011 76 ILE 13 H 0.0004 0.0082 0.0029 77 ILE 13 HA 0.0006 0.0084 0.0008 78 ILE 13 HB 0.0005 0.0075 0.0002 79 ILE 13 HG12 0.0004 0.0078 0.0023 80 ILE 13 HG13 0.0002 0.0067 0.0019 81 ILE 13 HG21 0.0008 0.0091 0.0002 82 ILE 13 HG22 0.0009 0.0094 0.0001 83 ILE 13 HG23 0.0008 0.0095 0.0013 84 ILE 13 HD11 0.0002 0.0067 0.0016 85 ILE 13 HD12 0.0003 0.0066 0.0004 86 ILE 13 HD13 0.0005 0.0077 0.0009 87 GLY 14 N 0.0005 0.0042 0.0026 88 GLY 14 CA -0.0001 0.0024 0.0029 89 GLY 14 C 0.0007 0.0017 0.0044 90 GLY 14 O 0.0017 0.0027 0.0052 91 GLY 14 H 0.0013 0.0046 0.0034 92 GLY 14 HA2 -0.0004 0.0017 0.0029 93 GLY 14 HA3 -0.0008 0.0022 0.0020 94 LYS 15 N -0.0005 -0.0017 0.0050 95 LYS 15 CA 0.0010 -0.0026 0.0067 96 LYS 15 C 0.0007 -0.0015 0.0059 97 LYS 15 O -0.0013 -0.0012 0.0041 98 LYS 15 CB 0.0003 -0.0058 0.0079 99 LYS 15 CG 0.0009 -0.0072 0.0091 100 LYS 15 CD -0.0001 -0.0104 0.0101 101 LYS 15 CE 0.0008 -0.0115 0.0113 102 LYS 15 NZ -0.0002 -0.0147 0.0122 103 LYS 15 H -0.0019 -0.0029 0.0046 104 LYS 15 HA 0.0028 -0.0019 0.0077 105 LYS 15 HB2 -0.0015 -0.0065 0.0068 106 LYS 15 HB3 0.0012 -0.0063 0.0089 107 LYS 15 HG2 0.0027 -0.0067 0.0103 108 LYS 15 HG3 0.0001 -0.0067 0.0082 109 LYS 15 HD2 0.0006 -0.0113 0.0111 110 LYS 15 HD3 -0.0019 -0.0110 0.0090 111 LYS 15 HE2 0.0001 -0.0107 0.0104 112 LYS 15 HE3 0.0026 -0.0110 0.0125 113 LYS 15 HZ1 -0.0019 -0.0152 0.0112 114 LYS 15 HZ2 0.0002 -0.0152 0.0129 115 LYS 15 HZ3 0.0004 -0.0155 0.0132 116 LEU 16 N 0.0025 -0.0020 0.0063 117 LEU 16 CA 0.0022 -0.0005 0.0050 118 LEU 16 C -0.0000 -0.0006 0.0050 119 LEU 16 O -0.0011 0.0007 0.0039 120 LEU 16 CB 0.0040 -0.0003 0.0048 121 LEU 16 CG 0.0038 0.0013 0.0036 122 LEU 16 CD1 0.0042 0.0028 0.0023 123 LEU 16 CD2 0.0054 0.0011 0.0038 124 LEU 16 H 0.0037 -0.0026 0.0068 125 LEU 16 HA 0.0022 0.0004 0.0042 126 LEU 16 HB2 0.0053 -0.0001 0.0048 127 LEU 16 HB3 0.0040 -0.0012 0.0057 128 LEU 16 HG 0.0023 0.0013 0.0035 129 LEU 16 HD11 0.0040 0.0038 0.0015 130 LEU 16 HD12 0.0032 0.0029 0.0022 131 LEU 16 HD13 0.0057 0.0028 0.0023 132 LEU 16 HD21 0.0051 0.0020 0.0030 133 LEU 16 HD22 0.0068 0.0012 0.0037 134 LEU 16 HD23 0.0051 0.0000 0.0046 135 ASP 17 N 0.0006 -0.0023 0.0070 136 ASP 17 CA -0.0019 -0.0028 0.0070 137 ASP 17 C -0.0047 -0.0030 0.0066 138 ASP 17 O -0.0070 -0.0032 0.0064 139 ASP 17 CB -0.0016 -0.0051 0.0084 140 ASP 17 CG -0.0003 -0.0072 0.0098 141 ASP 17 OD1 0.0021 -0.0068 0.0100 142 ASP 17 OD2 -0.0016 -0.0093 0.0109 143 ASP 17 H 0.0015 -0.0036 0.0079 144 ASP 17 HA -0.0019 -0.0015 0.0061 145 ASP 17 HB2 -0.0034 -0.0057 0.0084 146 ASP 17 HB3 -0.0003 -0.0046 0.0083 147 ASP 18 N -0.0027 -0.0015 0.0056 148 ASP 18 CA -0.0051 -0.0012 0.0052 149 ASP 18 C -0.0059 0.0012 0.0043 150 ASP 18 O -0.0080 0.0016 0.0040 151 ASP 18 CB -0.0054 -0.0016 0.0053 152 ASP 18 CG -0.0050 -0.0041 0.0061 153 ASP 18 OD1 -0.0051 -0.0056 0.0066 154 ASP 18 OD2 -0.0046 -0.0044 0.0063 155 ASP 18 H -0.0017 -0.0017 0.0057 156 ASP 18 HA -0.0061 -0.0023 0.0054 157 ASP 18 HB2 -0.0043 -0.0006 0.0051 158 ASP 18 HB3 -0.0071 -0.0013 0.0050 159 PHE 19 N -0.0043 0.0036 0.0027 160 PHE 19 CA -0.0046 0.0046 0.0015 161 PHE 19 C -0.0054 0.0050 0.0010 162 PHE 19 O -0.0048 0.0049 0.0011 163 PHE 19 CB -0.0031 0.0052 0.0009 164 PHE 19 CG -0.0024 0.0049 0.0013 165 PHE 19 CD1 -0.0028 0.0053 0.0008 166 PHE 19 CD2 -0.0013 0.0043 0.0021 167 PHE 19 CE1 -0.0022 0.0050 0.0012 168 PHE 19 CE2 -0.0006 0.0040 0.0025 169 PHE 19 CZ -0.0011 0.0044 0.0020 170 PHE 19 H -0.0037 0.0035 0.0029 171 PHE 19 HA -0.0052 0.0047 0.0013 172 PHE 19 HB2 -0.0024 0.0051 0.0011 173 PHE 19 HB3 -0.0033 0.0058 0.0001 174 PHE 19 HD1 -0.0036 0.0057 0.0002 175 PHE 19 HD2 -0.0010 0.0040 0.0025 176 PHE 19 HE1 -0.0025 0.0053 0.0008 177 PHE 19 HE2 0.0002 0.0036 0.0031 178 PHE 19 HZ -0.0007 0.0042 0.0023 179 PRO 20 N -0.0076 0.0084 0.0020 180 PRO 20 CA -0.0089 0.0094 0.0011 181 PRO 20 C -0.0082 0.0100 -0.0008 182 PRO 20 O -0.0074 0.0101 -0.0016 183 PRO 20 CB -0.0106 0.0099 0.0015 184 PRO 20 CG -0.0104 0.0091 0.0030 185 PRO 20 CD -0.0085 0.0084 0.0028 186 PRO 20 HA -0.0091 0.0092 0.0016 187 PRO 20 HB2 -0.0108 0.0104 0.0005 188 PRO 20 HB3 -0.0116 0.0101 0.0018 189 PRO 20 HG2 -0.0111 0.0094 0.0030 190 PRO 20 HG3 -0.0108 0.0087 0.0041 191 PRO 20 HD2 -0.0082 0.0086 0.0021 192 PRO 20 HD3 -0.0081 0.0077 0.0039 193 VAL 21 N -0.0061 0.0109 -0.0028 194 VAL 21 CA -0.0034 0.0150 -0.0034 195 VAL 21 C -0.0064 0.0196 -0.0017 196 VAL 21 O -0.0084 0.0212 -0.0008 197 VAL 21 CB 0.0012 0.0161 -0.0051 198 VAL 21 CG1 0.0035 0.0210 -0.0055 199 VAL 21 CG2 0.0045 0.0118 -0.0068 200 VAL 21 H -0.0049 0.0098 -0.0034 201 VAL 21 HA -0.0025 0.0141 -0.0038 202 VAL 21 HB 0.0006 0.0163 -0.0048 203 VAL 21 HG11 0.0068 0.0211 -0.0067 204 VAL 21 HG12 0.0019 0.0238 -0.0045 205 VAL 21 HG13 0.0033 0.0213 -0.0054 206 VAL 21 HG21 0.0074 0.0125 -0.0079 207 VAL 21 HG22 0.0052 0.0114 -0.0071 208 VAL 21 HG23 0.0029 0.0087 -0.0065 209 GLY 22 N -0.0083 0.0178 0.0011 210 GLY 22 CA -0.0082 0.0176 0.0007 211 GLY 22 C -0.0078 0.0176 0.0009 212 GLY 22 O -0.0077 0.0174 0.0005 213 GLY 22 H -0.0080 0.0178 0.0011 214 GLY 22 HA2 -0.0080 0.0174 0.0003 215 GLY 22 HA3 -0.0086 0.0176 0.0005 216 ILE 23 N -0.0089 0.0084 -0.0047 217 ILE 23 CA -0.0071 0.0086 -0.0046 218 ILE 23 C -0.0040 0.0091 -0.0040 219 ILE 23 O -0.0035 0.0104 -0.0018 220 ILE 23 CB -0.0084 0.0097 -0.0026 221 ILE 23 CG1 -0.0115 0.0091 -0.0033 222 ILE 23 CG2 -0.0064 0.0099 -0.0023 223 ILE 23 CD1 -0.0127 0.0099 -0.0019 224 ILE 23 H -0.0090 0.0092 -0.0033 225 ILE 23 HA -0.0071 0.0076 -0.0062 226 ILE 23 HB -0.0085 0.0106 -0.0009 227 ILE 23 HG12 -0.0115 0.0080 -0.0051 228 ILE 23 HG13 -0.0127 0.0092 -0.0030 229 ILE 23 HG21 -0.0072 0.0106 -0.0011 230 ILE 23 HG22 -0.0045 0.0104 -0.0018 231 ILE 23 HG23 -0.0062 0.0090 -0.0040 232 ILE 23 HD11 -0.0148 0.0096 -0.0022 233 ILE 23 HD12 -0.0124 0.0109 -0.0001 234 ILE 23 HD13 -0.0118 0.0096 -0.0025 235 PRO 24 N -0.0002 0.0024 -0.0048 236 PRO 24 CA 0.0009 0.0038 -0.0049 237 PRO 24 C 0.0023 0.0055 -0.0050 238 PRO 24 O 0.0033 0.0051 -0.0055 239 PRO 24 CB 0.0020 0.0023 -0.0059 240 PRO 24 CG 0.0008 0.0002 -0.0060 241 PRO 24 CD 0.0000 0.0002 -0.0056 242 PRO 24 HA -0.0000 0.0044 -0.0042 243 PRO 24 HB2 0.0033 0.0022 -0.0065 244 PRO 24 HB3 0.0021 0.0027 -0.0058 245 PRO 24 HG2 0.0016 -0.0009 -0.0067 246 PRO 24 HG3 -0.0004 0.0001 -0.0055 247 PRO 24 HD2 0.0010 -0.0003 -0.0062 248 PRO 24 HD3 -0.0013 -0.0007 -0.0053 249 LYS 25 N -0.0007 0.0041 -0.0034 250 LYS 25 CA 0.0004 0.0050 -0.0019 251 LYS 25 C 0.0021 0.0042 -0.0017 252 LYS 25 O 0.0019 0.0035 -0.0024 253 LYS 25 CB -0.0005 0.0066 -0.0011 254 LYS 25 CG -0.0020 0.0076 -0.0010 255 LYS 25 CD -0.0012 0.0080 -0.0002 256 LYS 25 CE -0.0026 0.0087 -0.0004 257 LYS 25 NZ -0.0028 0.0103 0.0009 258 LYS 25 H -0.0009 0.0038 -0.0039 259 LYS 25 HA 0.0008 0.0052 -0.0016 260 LYS 25 HB2 -0.0011 0.0064 -0.0016 261 LYS 25 HB3 0.0003 0.0070 -0.0001 262 LYS 25 HG2 -0.0028 0.0072 -0.0019 263 LYS 25 HG3 -0.0025 0.0086 -0.0005 264 LYS 25 HD2 -0.0007 0.0088 0.0008 265 LYS 25 HD3 -0.0004 0.0071 -0.0005 266 LYS 25 HE2 -0.0023 0.0080 -0.0008 267 LYS 25 HE3 -0.0038 0.0087 -0.0011 268 LYS 25 HZ1 -0.0036 0.0106 0.0007 269 LYS 25 HZ2 -0.0031 0.0109 0.0013 270 LYS 25 HZ3 -0.0018 0.0103 0.0015 271 LYS 26 N 0.0018 0.0023 -0.0030 272 LYS 26 CA 0.0028 0.0031 -0.0032 273 LYS 26 C 0.0031 0.0050 -0.0026 274 LYS 26 O 0.0034 0.0055 -0.0026 275 LYS 26 CB 0.0043 0.0025 -0.0044 276 LYS 26 CG 0.0055 0.0029 -0.0049 277 LYS 26 CD 0.0066 0.0017 -0.0060 278 LYS 26 CE 0.0071 0.0011 -0.0066 279 LYS 26 NZ 0.0086 0.0008 -0.0076 280 LYS 26 H 0.0022 0.0021 -0.0033 281 LYS 26 HA 0.0025 0.0030 -0.0031 282 LYS 26 HB2 0.0041 0.0013 -0.0047 283 LYS 26 HB3 0.0048 0.0029 -0.0045 284 LYS 26 HG2 0.0061 0.0040 -0.0048 285 LYS 26 HG3 0.0050 0.0030 -0.0046 286 LYS 26 HD2 0.0075 0.0022 -0.0064 287 LYS 26 HD3 0.0060 0.0007 -0.0061 288 LYS 26 HE2 0.0064 0.0001 -0.0065 289 LYS 26 HE3 0.0071 0.0020 -0.0062 290 LYS 26 HZ1 0.0088 0.0004 -0.0079 291 LYS 26 HZ2 0.0088 -0.0000 -0.0080 292 LYS 26 HZ3 0.0093 0.0017 -0.0077 293 VAL 27 N 0.0019 0.0055 -0.0022 294 VAL 27 CA 0.0021 0.0065 -0.0018 295 VAL 27 C 0.0026 0.0070 -0.0020 296 VAL 27 O 0.0026 0.0067 -0.0021 297 VAL 27 CB 0.0012 0.0068 -0.0011 298 VAL 27 CG1 0.0007 0.0063 -0.0010 299 VAL 27 CG2 0.0008 0.0066 -0.0009 300 VAL 27 H 0.0018 0.0054 -0.0022 301 VAL 27 HA 0.0024 0.0066 -0.0020 302 VAL 27 HB 0.0014 0.0074 -0.0009 303 VAL 27 HG11 0.0003 0.0065 -0.0005 304 VAL 27 HG12 0.0011 0.0064 -0.0012 305 VAL 27 HG13 0.0006 0.0057 -0.0012 306 VAL 27 HG21 0.0002 0.0067 -0.0004 307 VAL 27 HG22 0.0007 0.0060 -0.0011 308 VAL 27 HG23 0.0011 0.0070 -0.0009 309 ALA 28 N 0.0026 0.0082 -0.0012 310 ALA 28 CA 0.0026 0.0086 -0.0013 311 ALA 28 C 0.0014 0.0089 -0.0009 312 ALA 28 O 0.0006 0.0092 -0.0007 313 ALA 28 CB 0.0033 0.0098 -0.0016 314 ALA 28 H 0.0029 0.0087 -0.0013 315 ALA 28 HA 0.0030 0.0080 -0.0013 316 ALA 28 HB1 0.0033 0.0101 -0.0017 317 ALA 28 HB2 0.0041 0.0097 -0.0018 318 ALA 28 HB3 0.0029 0.0104 -0.0016 319 VAL 29 N 0.0003 0.0086 -0.0008 320 VAL 29 CA -0.0001 0.0091 -0.0003 321 VAL 29 C -0.0002 0.0097 -0.0006 322 VAL 29 O -0.0001 0.0099 -0.0009 323 VAL 29 CB -0.0003 0.0090 0.0002 324 VAL 29 CG1 -0.0006 0.0094 0.0007 325 VAL 29 CG2 -0.0002 0.0083 0.0005 326 VAL 29 H 0.0003 0.0087 -0.0010 327 VAL 29 HA -0.0002 0.0090 -0.0001 328 VAL 29 HB -0.0002 0.0091 0.0000 329 VAL 29 HG11 -0.0007 0.0093 0.0010 330 VAL 29 HG12 -0.0007 0.0098 0.0005 331 VAL 29 HG13 -0.0007 0.0093 0.0008 332 VAL 29 HG21 -0.0003 0.0082 0.0008 333 VAL 29 HG22 -0.0002 0.0082 0.0006 334 VAL 29 HG23 0.0000 0.0080 0.0002 335 THR 30 N -0.0017 0.0111 0.0031 336 THR 30 CA -0.0017 0.0120 0.0025 337 THR 30 C -0.0028 0.0127 0.0026 338 THR 30 O -0.0032 0.0131 0.0026 339 THR 30 CB -0.0009 0.0125 0.0016 340 THR 30 OG1 -0.0012 0.0126 0.0017 341 THR 30 CG2 0.0002 0.0118 0.0014 342 THR 30 H -0.0019 0.0112 0.0032 343 THR 30 HA -0.0015 0.0119 0.0024 344 THR 30 HB -0.0010 0.0131 0.0012 345 THR 30 HG1 -0.0017 0.0130 0.0017 346 THR 30 HG21 0.0007 0.0121 0.0009 347 THR 30 HG22 0.0003 0.0116 0.0015 348 THR 30 HG23 0.0003 0.0112 0.0018 349 SER 31 N -0.0078 0.0126 0.0077 350 SER 31 CA -0.0084 0.0115 0.0066 351 SER 31 C -0.0083 0.0113 0.0069 352 SER 31 O -0.0079 0.0113 0.0083 353 SER 31 CB -0.0087 0.0098 0.0067 354 SER 31 OG -0.0093 0.0087 0.0057 355 SER 31 H -0.0077 0.0121 0.0085 356 SER 31 HA -0.0086 0.0120 0.0055 357 SER 31 HB2 -0.0088 0.0099 0.0064 358 SER 31 HB3 -0.0085 0.0094 0.0078 359 SER 31 HG -0.0094 0.0078 0.0058 360 SER 32 N -0.0056 0.0149 0.0075 361 SER 32 CA -0.0063 0.0129 0.0074 362 SER 32 C -0.0080 0.0079 0.0093 363 SER 32 O -0.0086 0.0062 0.0106 364 SER 32 CB -0.0065 0.0133 0.0022 365 SER 32 OG -0.0073 0.0115 -0.0013 366 SER 32 H -0.0056 0.0153 0.0046 367 SER 32 HA -0.0055 0.0147 0.0096 368 SER 32 HB2 -0.0071 0.0116 0.0021 369 SER 32 HB3 -0.0053 0.0165 0.0014 370 SER 32 HG -0.0074 0.0119 -0.0041 371 LYS 33 N -0.0107 0.0044 0.0099 372 LYS 33 CA -0.0120 0.0011 0.0105 373 LYS 33 C -0.0132 0.0005 0.0142 374 LYS 33 O -0.0131 0.0027 0.0165 375 LYS 33 CB -0.0118 0.0007 0.0095 376 LYS 33 CG -0.0109 0.0004 0.0056 377 LYS 33 CD -0.0103 0.0013 0.0046 378 LYS 33 CE -0.0096 0.0004 0.0008 379 LYS 33 NZ -0.0085 0.0025 -0.0006 380 LYS 33 H -0.0101 0.0058 0.0095 381 LYS 33 HA -0.0122 -0.0006 0.0092 382 LYS 33 HB2 -0.0114 0.0027 0.0104 383 LYS 33 HB3 -0.0127 -0.0013 0.0104 384 LYS 33 HG2 -0.0114 -0.0019 0.0047 385 LYS 33 HG3 -0.0101 0.0019 0.0046 386 LYS 33 HD2 -0.0096 0.0037 0.0051 387 LYS 33 HD3 -0.0111 0.0000 0.0059 388 LYS 33 HE2 -0.0103 -0.0020 0.0005 389 LYS 33 HE3 -0.0091 0.0007 -0.0004 390 LYS 33 HZ1 -0.0081 0.0019 -0.0028 391 LYS 33 HZ2 -0.0078 0.0046 -0.0003 392 LYS 33 HZ3 -0.0089 0.0022 0.0005 393 MET 34 N -0.0111 -0.0085 0.0240 394 MET 34 CA -0.0128 -0.0096 0.0283 395 MET 34 C -0.0102 -0.0118 0.0273 396 MET 34 O -0.0109 -0.0136 0.0309 397 MET 34 CB -0.0131 -0.0127 0.0333 398 MET 34 CG -0.0162 -0.0104 0.0353 399 MET 34 SD -0.0214 -0.0074 0.0396 400 MET 34 CE -0.0232 -0.0019 0.0350 401 MET 34 H -0.0087 -0.0109 0.0233 402 MET 34 HA -0.0155 -0.0067 0.0288 403 MET 34 HB2 -0.0104 -0.0154 0.0327 404 MET 34 HB3 -0.0139 -0.0137 0.0360 405 MET 34 HG2 -0.0163 -0.0082 0.0323 406 MET 34 HG3 -0.0153 -0.0128 0.0372 407 MET 34 HE1 -0.0262 0.0004 0.0367 408 MET 34 HE2 -0.0222 -0.0022 0.0338 409 MET 34 HE3 -0.0223 -0.0011 0.0321 410 ASP 35 N -0.0099 -0.0088 0.0218 411 ASP 35 CA -0.0086 -0.0098 0.0210 412 ASP 35 C -0.0101 -0.0079 0.0207 413 ASP 35 O -0.0119 -0.0056 0.0204 414 ASP 35 CB -0.0066 -0.0104 0.0180 415 ASP 35 CG -0.0073 -0.0081 0.0155 416 ASP 35 OD1 -0.0080 -0.0072 0.0154 417 ASP 35 OD2 -0.0073 -0.0070 0.0137 418 ASP 35 H -0.0096 -0.0083 0.0203 419 ASP 35 HA -0.0080 -0.0114 0.0225 420 ASP 35 HB2 -0.0057 -0.0111 0.0175 421 ASP 35 HB3 -0.0057 -0.0116 0.0182 422 ALA 36 N -0.0100 -0.0057 0.0183 423 ALA 36 CA -0.0120 -0.0040 0.0174 424 ALA 36 C -0.0123 -0.0019 0.0159 425 ALA 36 O -0.0146 -0.0011 0.0157 426 ALA 36 CB -0.0113 -0.0035 0.0169 427 ALA 36 H -0.0087 -0.0061 0.0184 428 ALA 36 HA -0.0137 -0.0045 0.0182 429 ALA 36 HB1 -0.0126 -0.0023 0.0163 430 ALA 36 HB2 -0.0112 -0.0048 0.0179 431 ALA 36 HB3 -0.0095 -0.0030 0.0161 432 TRP 37 N -0.0121 -0.0002 0.0143 433 TRP 37 CA -0.0117 0.0012 0.0140 434 TRP 37 C -0.0118 0.0012 0.0140 435 TRP 37 O -0.0123 0.0022 0.0139 436 TRP 37 CB -0.0103 0.0015 0.0134 437 TRP 37 CG -0.0099 0.0029 0.0130 438 TRP 37 CD1 -0.0101 0.0041 0.0128 439 TRP 37 CD2 -0.0092 0.0032 0.0127 440 TRP 37 NE1 -0.0096 0.0052 0.0124 441 TRP 37 CE2 -0.0091 0.0046 0.0124 442 TRP 37 CE3 -0.0088 0.0024 0.0128 443 TRP 37 CZ2 -0.0085 0.0053 0.0121 444 TRP 37 CZ3 -0.0082 0.0030 0.0124 445 TRP 37 CH2 -0.0080 0.0044 0.0121 446 TRP 37 H -0.0114 -0.0006 0.0142 447 TRP 37 HA -0.0124 0.0019 0.0140 448 TRP 37 HB2 -0.0102 0.0015 0.0134 449 TRP 37 HB3 -0.0097 0.0008 0.0134 450 TRP 37 HD1 -0.0105 0.0043 0.0129 451 TRP 37 HE1 -0.0096 0.0061 0.0123 452 TRP 37 HE3 -0.0089 0.0014 0.0130 453 TRP 37 HZ2 -0.0084 0.0062 0.0118 454 TRP 37 HZ3 -0.0079 0.0025 0.0124 455 TRP 37 HH2 -0.0076 0.0048 0.0119 456 ASN 38 N -0.0115 -0.0011 0.0149 457 ASN 38 CA -0.0119 0.0001 0.0148 458 ASN 38 C -0.0128 0.0007 0.0162 459 ASN 38 O -0.0133 0.0020 0.0162 460 ASN 38 CB -0.0114 -0.0006 0.0143 461 ASN 38 CG -0.0107 -0.0003 0.0126 462 ASN 38 OD1 -0.0108 0.0010 0.0120 463 ASN 38 ND2 -0.0099 -0.0015 0.0120 464 ASN 38 H -0.0111 -0.0020 0.0148 465 ASN 38 HA -0.0118 0.0009 0.0141 466 ASN 38 HB2 -0.0111 -0.0017 0.0146 467 ASN 38 HB3 -0.0118 -0.0001 0.0147 468 ASN 38 HD21 -0.0095 -0.0014 0.0110 469 ASN 38 HD22 -0.0098 -0.0024 0.0125 470 ILE 39 N -0.0137 -0.0031 0.0167 471 ILE 39 CA -0.0160 -0.0036 0.0166 472 ILE 39 C -0.0173 -0.0027 0.0142 473 ILE 39 O -0.0195 -0.0030 0.0138 474 ILE 39 CB -0.0153 -0.0039 0.0174 475 ILE 39 CG1 -0.0142 -0.0050 0.0199 476 ILE 39 CG2 -0.0177 -0.0044 0.0171 477 ILE 39 CD1 -0.0131 -0.0051 0.0207 478 ILE 39 H -0.0123 -0.0030 0.0171 479 ILE 39 HA -0.0170 -0.0045 0.0176 480 ILE 39 HB -0.0141 -0.0031 0.0166 481 ILE 39 HG12 -0.0155 -0.0058 0.0208 482 ILE 39 HG13 -0.0129 -0.0048 0.0201 483 ILE 39 HG21 -0.0174 -0.0047 0.0179 484 ILE 39 HG22 -0.0182 -0.0036 0.0155 485 ILE 39 HG23 -0.0190 -0.0051 0.0177 486 ILE 39 HD11 -0.0123 -0.0058 0.0222 487 ILE 39 HD12 -0.0119 -0.0043 0.0196 488 ILE 39 HD13 -0.0145 -0.0055 0.0206 489 PHE 40 N -0.0158 -0.0038 0.0086 490 PHE 40 CA -0.0167 -0.0021 0.0076 491 PHE 40 C -0.0156 -0.0026 0.0086 492 PHE 40 O -0.0168 -0.0032 0.0077 493 PHE 40 CB -0.0164 0.0010 0.0077 494 PHE 40 CG -0.0170 0.0031 0.0070 495 PHE 40 CD1 -0.0192 0.0039 0.0051 496 PHE 40 CD2 -0.0155 0.0043 0.0083 497 PHE 40 CE1 -0.0198 0.0058 0.0045 498 PHE 40 CE2 -0.0161 0.0062 0.0076 499 PHE 40 CZ -0.0182 0.0070 0.0057 500 PHE 40 H -0.0152 -0.0028 0.0090 501 PHE 40 HA -0.0183 -0.0026 0.0063 502 PHE 40 HB2 -0.0172 0.0014 0.0070 503 PHE 40 HB3 -0.0148 0.0014 0.0091 504 PHE 40 HD1 -0.0202 0.0031 0.0043 505 PHE 40 HD2 -0.0141 0.0037 0.0096 506 PHE 40 HE1 -0.0212 0.0063 0.0032 507 PHE 40 HE2 -0.0151 0.0069 0.0085 508 PHE 40 HZ -0.0186 0.0084 0.0053 509 GLU 41 N -0.0121 -0.0000 0.0088 510 GLU 41 CA -0.0109 0.0000 0.0094 511 GLU 41 C -0.0105 -0.0014 0.0090 512 GLU 41 O -0.0100 -0.0013 0.0093 513 GLU 41 CB -0.0096 0.0003 0.0102 514 GLU 41 CG -0.0087 0.0014 0.0112 515 GLU 41 CD -0.0096 0.0030 0.0113 516 GLU 41 OE1 -0.0108 0.0033 0.0108 517 GLU 41 OE2 -0.0091 0.0040 0.0120 518 GLU 41 H -0.0118 -0.0000 0.0089 519 GLU 41 HA -0.0111 0.0009 0.0096 520 GLU 41 HB2 -0.0099 0.0006 0.0102 521 GLU 41 HB3 -0.0089 -0.0007 0.0102 522 GLU 41 HG2 -0.0079 0.0015 0.0116 523 GLU 41 HG3 -0.0085 0.0011 0.0112 524 GLY 42 N -0.0099 -0.0022 0.0105 525 GLY 42 CA -0.0090 -0.0037 0.0097 526 GLY 42 C -0.0092 -0.0041 0.0088 527 GLY 42 O -0.0083 -0.0053 0.0087 528 GLY 42 H -0.0105 -0.0019 0.0101 529 GLY 42 HA2 -0.0081 -0.0042 0.0105 530 GLY 42 HA3 -0.0092 -0.0041 0.0088 531 LEU 43 N -0.0127 -0.0098 0.0085 532 LEU 43 CA -0.0160 -0.0094 0.0069 533 LEU 43 C -0.0158 -0.0061 0.0075 534 LEU 43 O -0.0177 -0.0064 0.0065 535 LEU 43 CB -0.0193 -0.0082 0.0054 536 LEU 43 CG -0.0203 -0.0115 0.0044 537 LEU 43 CD1 -0.0228 -0.0096 0.0034 538 LEU 43 CD2 -0.0222 -0.0149 0.0030 539 LEU 43 H -0.0129 -0.0086 0.0086 540 LEU 43 HA -0.0164 -0.0119 0.0064 541 LEU 43 HB2 -0.0188 -0.0058 0.0059 542 LEU 43 HB3 -0.0215 -0.0077 0.0044 543 LEU 43 HG -0.0181 -0.0126 0.0054 544 LEU 43 HD11 -0.0234 -0.0117 0.0028 545 LEU 43 HD12 -0.0215 -0.0075 0.0044 546 LEU 43 HD13 -0.0250 -0.0084 0.0025 547 LEU 43 HD21 -0.0229 -0.0169 0.0024 548 LEU 43 HD22 -0.0244 -0.0138 0.0020 549 LEU 43 HD23 -0.0206 -0.0162 0.0037 550 VAL 44 N -0.0111 -0.0060 0.0031 551 VAL 44 CA -0.0107 -0.0053 0.0042 552 VAL 44 C -0.0090 -0.0061 0.0055 553 VAL 44 O -0.0084 -0.0065 0.0059 554 VAL 44 CB -0.0115 -0.0032 0.0050 555 VAL 44 CG1 -0.0113 -0.0026 0.0057 556 VAL 44 CG2 -0.0109 -0.0025 0.0063 557 VAL 44 H -0.0110 -0.0056 0.0035 558 VAL 44 HA -0.0111 -0.0056 0.0035 559 VAL 44 HB -0.0126 -0.0027 0.0041 560 VAL 44 HG11 -0.0112 -0.0015 0.0068 561 VAL 44 HG12 -0.0122 -0.0023 0.0049 562 VAL 44 HG13 -0.0104 -0.0036 0.0060 563 VAL 44 HG21 -0.0116 -0.0012 0.0066 564 VAL 44 HG22 -0.0099 -0.0027 0.0074 565 VAL 44 HG23 -0.0108 -0.0031 0.0059 566 VAL 44 N -0.0111 -0.0060 0.0031 567 VAL 44 CA -0.0108 -0.0052 0.0042 568 VAL 44 C -0.0091 -0.0059 0.0056 569 VAL 44 O -0.0086 -0.0060 0.0061 570 VAL 44 CB -0.0116 -0.0031 0.0049 571 VAL 44 CG1 -0.0133 -0.0024 0.0034 572 VAL 44 CG2 -0.0112 -0.0024 0.0060 573 VAL 44 H -0.0110 -0.0056 0.0035 574 VAL 44 HA -0.0111 -0.0055 0.0035 575 VAL 44 HB -0.0114 -0.0027 0.0056 576 VAL 44 HG11 -0.0137 -0.0015 0.0037 577 VAL 44 HG12 -0.0135 -0.0034 0.0024 578 VAL 44 HG13 -0.0138 -0.0018 0.0034 579 VAL 44 HG21 -0.0120 -0.0013 0.0060 580 VAL 44 HG22 -0.0110 -0.0033 0.0055 581 VAL 44 HG23 -0.0103 -0.0024 0.0071 582 MET 45 N -0.0031 -0.0031 0.0055 583 MET 45 CA -0.0027 -0.0024 0.0048 584 MET 45 C -0.0024 -0.0021 0.0039 585 MET 45 O -0.0024 -0.0022 0.0029 586 MET 45 CB -0.0030 -0.0030 0.0042 587 MET 45 CG -0.0033 -0.0033 0.0049 588 MET 45 SD -0.0028 -0.0025 0.0053 589 MET 45 CE -0.0026 -0.0023 0.0041 590 MET 45 H -0.0034 -0.0036 0.0052 591 MET 45 HA -0.0024 -0.0019 0.0052 592 MET 45 HB2 -0.0032 -0.0035 0.0038 593 MET 45 HB3 -0.0027 -0.0025 0.0037 594 MET 45 HG2 -0.0034 -0.0036 0.0055 595 MET 45 HG3 -0.0035 -0.0039 0.0045 596 MET 45 HE1 -0.0024 -0.0019 0.0043 597 MET 45 HE2 -0.0029 -0.0029 0.0038 598 MET 45 HE3 -0.0024 -0.0020 0.0036 599 GLY 46 N -0.0008 -0.0001 0.0021 600 GLY 46 CA -0.0005 0.0015 0.0004 601 GLY 46 C 0.0007 0.0032 -0.0001 602 GLY 46 O 0.0012 0.0047 -0.0013 603 GLY 46 H 0.0002 -0.0002 0.0032 604 GLY 46 HA2 -0.0017 0.0013 -0.0007 605 GLY 46 HA3 0.0001 0.0018 0.0008 606 SER 47 N 0.0018 0.0036 -0.0022 607 SER 47 CA 0.0021 0.0039 -0.0023 608 SER 47 C 0.0011 0.0026 -0.0019 609 SER 47 O 0.0009 0.0011 -0.0015 610 SER 47 CB 0.0040 0.0041 -0.0021 611 SER 47 OG 0.0049 0.0026 -0.0015 612 SER 47 H 0.0017 0.0025 -0.0018 613 SER 47 HA 0.0015 0.0050 -0.0027 614 SER 47 HB2 0.0041 0.0042 -0.0021 615 SER 47 HB3 0.0046 0.0051 -0.0023 616 SER 47 HG 0.0058 0.0029 -0.0015 617 VAL 48 N 0.0028 0.0037 -0.0027 618 VAL 48 CA 0.0018 0.0028 -0.0027 619 VAL 48 C 0.0015 0.0025 -0.0027 620 VAL 48 O 0.0017 0.0032 -0.0026 621 VAL 48 CB 0.0007 0.0032 -0.0024 622 VAL 48 CG1 0.0009 0.0034 -0.0024 623 VAL 48 CG2 0.0003 0.0043 -0.0020 624 VAL 48 H 0.0027 0.0043 -0.0026 625 VAL 48 HA 0.0021 0.0021 -0.0029 626 VAL 48 HB 0.0001 0.0026 -0.0024 627 VAL 48 HG11 0.0002 0.0036 -0.0021 628 VAL 48 HG12 0.0011 0.0027 -0.0026 629 VAL 48 HG13 0.0015 0.0040 -0.0024 630 VAL 48 HG21 -0.0004 0.0046 -0.0018 631 VAL 48 HG22 0.0009 0.0049 -0.0020 632 VAL 48 HG23 0.0000 0.0042 -0.0020 633 TRP 49 N 0.0017 0.0031 -0.0058 634 TRP 49 CA 0.0015 0.0019 -0.0056 635 TRP 49 C 0.0001 0.0020 -0.0045 636 TRP 49 O -0.0008 0.0020 -0.0038 637 TRP 49 CB 0.0018 0.0002 -0.0057 638 TRP 49 CG 0.0031 -0.0003 -0.0067 639 TRP 49 CD1 0.0039 -0.0006 -0.0073 640 TRP 49 CD2 0.0039 -0.0007 -0.0073 641 TRP 49 NE1 0.0051 -0.0010 -0.0082 642 TRP 49 CE2 0.0052 -0.0011 -0.0083 643 TRP 49 CE3 0.0037 -0.0007 -0.0072 644 TRP 49 CZ2 0.0062 -0.0015 -0.0091 645 TRP 49 CZ3 0.0047 -0.0011 -0.0079 646 TRP 49 CH2 0.0060 -0.0015 -0.0089 647 TRP 49 H 0.0016 0.0027 -0.0057 648 TRP 49 HA 0.0020 0.0021 -0.0060 649 TRP 49 HB2 0.0014 0.0001 -0.0054 650 TRP 49 HB3 0.0013 -0.0006 -0.0053 651 TRP 49 HD1 0.0036 -0.0005 -0.0071 652 TRP 49 HE1 0.0058 -0.0012 -0.0087 653 TRP 49 HE3 0.0029 -0.0005 -0.0066 654 TRP 49 HZ2 0.0070 -0.0018 -0.0097 655 TRP 49 HZ3 0.0046 -0.0012 -0.0078 656 TRP 49 HH2 0.0066 -0.0018 -0.0094 657 VAL 50 N 0.0001 0.0043 -0.0023 658 VAL 50 CA -0.0003 0.0043 -0.0019 659 VAL 50 C -0.0010 0.0040 -0.0021 660 VAL 50 O -0.0013 0.0039 -0.0021 661 VAL 50 CB -0.0003 0.0046 -0.0012 662 VAL 50 CG1 -0.0007 0.0047 -0.0008 663 VAL 50 CG2 0.0004 0.0050 -0.0010 664 VAL 50 H -0.0001 0.0043 -0.0022 665 VAL 50 HA -0.0002 0.0044 -0.0020 666 VAL 50 HB -0.0006 0.0046 -0.0011 667 VAL 50 HG11 -0.0007 0.0049 -0.0003 668 VAL 50 HG12 -0.0012 0.0045 -0.0008 669 VAL 50 HG13 -0.0006 0.0047 -0.0009 670 VAL 50 HG21 0.0003 0.0052 -0.0006 671 VAL 50 HG22 0.0006 0.0050 -0.0011 672 VAL 50 HG23 0.0006 0.0050 -0.0013 673 ILE 51 N 0.0006 0.0057 -0.0015 674 ILE 51 CA -0.0006 0.0058 -0.0020 675 ILE 51 C -0.0019 0.0062 -0.0023 676 ILE 51 O -0.0023 0.0055 -0.0030 677 ILE 51 CB -0.0006 0.0046 -0.0029 678 ILE 51 CG1 0.0009 0.0039 -0.0027 679 ILE 51 CG2 -0.0016 0.0047 -0.0032 680 ILE 51 CD1 0.0016 0.0028 -0.0032 681 ILE 51 H 0.0005 0.0053 -0.0018 682 ILE 51 HA -0.0005 0.0064 -0.0016 683 ILE 51 HB -0.0008 0.0040 -0.0034 684 ILE 51 HG12 0.0008 0.0037 -0.0029 685 ILE 51 HG13 0.0014 0.0045 -0.0020 686 ILE 51 HG21 -0.0016 0.0040 -0.0038 687 ILE 51 HG22 -0.0025 0.0051 -0.0034 688 ILE 51 HG23 -0.0014 0.0053 -0.0027 689 ILE 51 HD11 0.0025 0.0025 -0.0030 690 ILE 51 HD12 0.0017 0.0031 -0.0029 691 ILE 51 HD13 0.0010 0.0023 -0.0038 692 ARG 52 N -0.0027 0.0101 -0.0001 693 ARG 52 CA -0.0009 0.0099 -0.0015 694 ARG 52 C -0.0005 0.0125 -0.0027 695 ARG 52 O -0.0019 0.0143 -0.0020 696 ARG 52 CB -0.0013 0.0087 -0.0008 697 ARG 52 CG 0.0004 0.0083 -0.0021 698 ARG 52 CD -0.0005 0.0074 -0.0011 699 ARG 52 NE 0.0010 0.0071 -0.0022 700 ARG 52 CZ 0.0006 0.0063 -0.0017 701 ARG 52 NH1 -0.0012 0.0058 -0.0000 702 ARG 52 NH2 0.0020 0.0061 -0.0028 703 ARG 52 H -0.0038 0.0100 0.0009 704 ARG 52 HA 0.0002 0.0089 -0.0022 705 ARG 52 HB2 -0.0016 0.0070 -0.0000 706 ARG 52 HB3 -0.0025 0.0097 -0.0001 707 ARG 52 HG2 0.0008 0.0099 -0.0030 708 ARG 52 HG3 0.0015 0.0070 -0.0027 709 ARG 52 HD2 -0.0008 0.0058 -0.0003 710 ARG 52 HD3 -0.0016 0.0086 -0.0005 711 ARG 52 HE 0.0022 0.0074 -0.0033 712 ARG 52 HH11 -0.0021 0.0059 0.0007 713 ARG 52 HH12 -0.0014 0.0053 0.0003 714 ARG 52 HH21 0.0032 0.0064 -0.0039 715 ARG 52 HH22 0.0018 0.0056 -0.0025 716 GLN 53 N 0.0022 0.0139 -0.0033 717 GLN 53 CA 0.0031 0.0155 -0.0036 718 GLN 53 C 0.0044 0.0176 -0.0060 719 GLN 53 O 0.0043 0.0174 -0.0078 720 GLN 53 CB 0.0021 0.0137 -0.0044 721 GLN 53 CG 0.0005 0.0112 -0.0025 722 GLN 53 CD 0.0008 0.0118 0.0007 723 GLN 53 OE1 0.0017 0.0134 0.0013 724 GLN 53 NE2 -0.0000 0.0105 0.0029 725 GLN 53 H 0.0015 0.0127 -0.0047 726 GLN 53 HA 0.0036 0.0165 -0.0017 727 GLN 53 HB2 0.0019 0.0132 -0.0066 728 GLN 53 HB3 0.0026 0.0147 -0.0041 729 GLN 53 HG2 0.0001 0.0103 -0.0025 730 GLN 53 HG3 -0.0001 0.0100 -0.0034 731 GLN 53 HE21 -0.0006 0.0094 0.0024 732 GLN 53 HE22 0.0000 0.0108 0.0048 733 LYS 54 N 0.0166 0.0313 -0.0029 734 LYS 54 CA 0.0295 0.0367 -0.0136 735 LYS 54 C 0.0287 0.0322 -0.0281 736 LYS 54 O 0.0380 0.0351 -0.0393 737 LYS 54 CB 0.0406 0.0462 -0.0050 738 LYS 54 CG 0.0466 0.0531 0.0057 739 LYS 54 CD 0.0548 0.0615 0.0167 740 LYS 54 CE 0.0530 0.0647 0.0328 741 LYS 54 NZ 0.0568 0.0670 0.0321 742 LYS 54 H 0.0169 0.0340 0.0061 743 LYS 54 HA 0.0319 0.0373 -0.0170 744 LYS 54 HB2 0.0366 0.0454 0.0014 745 LYS 54 HB3 0.0480 0.0489 -0.0128 746 LYS 54 HG2 0.0526 0.0553 -0.0006 747 LYS 54 HG3 0.0392 0.0500 0.0120 748 LYS 54 HD2 0.0517 0.0598 0.0180 749 LYS 54 HD3 0.0644 0.0665 0.0124 750 LYS 54 HE2 0.0434 0.0598 0.0375 751 LYS 54 HE3 0.0587 0.0702 0.0394 752 LYS 54 HZ1 0.0555 0.0688 0.0416 753 LYS 54 HZ2 0.0656 0.0716 0.0280 754 LYS 54 HZ3 0.0517 0.0620 0.0260 755 ASP 55 N 0.0171 0.0300 -0.0205 756 ASP 55 CA 0.0181 0.0261 -0.0280 757 ASP 55 C 0.0155 0.0192 -0.0290 758 ASP 55 O 0.0157 0.0149 -0.0349 759 ASP 55 CB 0.0182 0.0245 -0.0302 760 ASP 55 CG 0.0142 0.0185 -0.0262 761 ASP 55 OD1 0.0115 0.0172 -0.0203 762 ASP 55 OD2 0.0137 0.0151 -0.0290 763 ASP 55 H 0.0153 0.0284 -0.0174 764 ASP 55 HA 0.0207 0.0293 -0.0315 765 ASP 55 HB2 0.0194 0.0229 -0.0355 766 ASP 55 HB3 0.0196 0.0288 -0.0289 767 ASP 56 N 0.0104 0.0150 -0.0125 768 ASP 56 CA 0.0093 0.0114 -0.0117 769 ASP 56 C 0.0088 0.0085 -0.0114 770 ASP 56 O 0.0081 0.0054 -0.0110 771 ASP 56 CB 0.0105 0.0099 -0.0138 772 ASP 56 CG 0.0104 0.0120 -0.0133 773 ASP 56 OD1 0.0092 0.0141 -0.0109 774 ASP 56 OD2 0.0116 0.0115 -0.0153 775 ASP 56 H 0.0096 0.0165 -0.0110 776 ASP 56 HA 0.0081 0.0119 -0.0096 777 ASP 56 HB2 0.0118 0.0100 -0.0160 778 ASP 56 HB3 0.0098 0.0074 -0.0134 779 SER 57 N 0.0039 0.0087 -0.0120 780 SER 57 CA 0.0030 0.0056 -0.0107 781 SER 57 C 0.0019 0.0056 -0.0066 782 SER 57 O 0.0020 0.0084 -0.0048 783 SER 57 CB 0.0032 0.0057 -0.0117 784 SER 57 OG 0.0034 0.0088 -0.0100 785 SER 57 H 0.0045 0.0104 -0.0129 786 SER 57 HA 0.0028 0.0034 -0.0118 787 SER 57 HB2 0.0026 0.0035 -0.0109 788 SER 57 HB3 0.0039 0.0058 -0.0143 789 SER 57 HG 0.0035 0.0087 -0.0105 790 LEU 58 N 0.0011 0.0043 -0.0008 791 LEU 58 CA 0.0010 0.0042 -0.0005 792 LEU 58 C 0.0013 0.0041 -0.0008 793 LEU 58 O 0.0017 0.0039 -0.0011 794 LEU 58 CB 0.0011 0.0039 0.0002 795 LEU 58 CG 0.0008 0.0040 0.0006 796 LEU 58 CD1 0.0012 0.0036 0.0007 797 LEU 58 CD2 0.0005 0.0041 0.0011 798 LEU 58 H 0.0014 0.0040 -0.0009 799 LEU 58 HA 0.0006 0.0045 -0.0004 800 LEU 58 HB2 0.0015 0.0036 0.0001 801 LEU 58 HB3 0.0010 0.0039 0.0004 802 LEU 58 HG 0.0006 0.0042 0.0003 803 LEU 58 HD11 0.0011 0.0036 0.0010 804 LEU 58 HD12 0.0014 0.0036 0.0003 805 LEU 58 HD13 0.0015 0.0034 0.0009 806 LEU 58 HD21 0.0004 0.0041 0.0013 807 LEU 58 HD22 0.0007 0.0038 0.0014 808 LEU 58 HD23 0.0003 0.0043 0.0010 809 LYS 59 N 0.0001 0.0028 -0.0026 810 LYS 59 CA 0.0004 0.0023 -0.0025 811 LYS 59 C 0.0010 0.0024 -0.0021 812 LYS 59 O 0.0011 0.0028 -0.0018 813 LYS 59 CB 0.0005 0.0019 -0.0026 814 LYS 59 CG -0.0000 0.0017 -0.0031 815 LYS 59 CD -0.0001 0.0016 -0.0032 816 LYS 59 CE -0.0006 0.0014 -0.0036 817 LYS 59 NZ -0.0005 0.0007 -0.0038 818 LYS 59 H 0.0002 0.0031 -0.0024 819 LYS 59 HA 0.0003 0.0020 -0.0027 820 LYS 59 HB2 0.0005 0.0022 -0.0025 821 LYS 59 HB3 0.0007 0.0016 -0.0025 822 LYS 59 HG2 0.0000 0.0013 -0.0032 823 LYS 59 HG3 -0.0003 0.0020 -0.0032 824 LYS 59 HD2 -0.0001 0.0019 -0.0030 825 LYS 59 HD3 0.0002 0.0012 -0.0031 826 LYS 59 HE2 -0.0008 0.0015 -0.0037 827 LYS 59 HE3 -0.0007 0.0015 -0.0037 828 LYS 59 HZ1 -0.0003 0.0006 -0.0037 829 LYS 59 HZ2 -0.0004 0.0006 -0.0038 830 LYS 59 HZ3 -0.0008 0.0006 -0.0041 831 VAL 60 N -0.0014 0.0023 -0.0023 832 VAL 60 CA -0.0005 0.0028 -0.0023 833 VAL 60 C 0.0003 0.0024 -0.0029 834 VAL 60 O 0.0003 0.0023 -0.0030 835 VAL 60 CB -0.0003 0.0036 -0.0017 836 VAL 60 CG1 0.0006 0.0040 -0.0017 837 VAL 60 CG2 -0.0011 0.0040 -0.0011 838 VAL 60 H -0.0014 0.0022 -0.0024 839 VAL 60 HA -0.0005 0.0027 -0.0023 840 VAL 60 HB -0.0004 0.0036 -0.0016 841 VAL 60 HG11 0.0007 0.0046 -0.0013 842 VAL 60 HG12 0.0011 0.0039 -0.0020 843 VAL 60 HG13 0.0007 0.0039 -0.0019 844 VAL 60 HG21 -0.0009 0.0045 -0.0007 845 VAL 60 HG22 -0.0011 0.0039 -0.0012 846 VAL 60 HG23 -0.0016 0.0038 -0.0010 847 PHE 61 N 0.0021 -0.0016 -0.0063 848 PHE 61 CA 0.0022 -0.0022 -0.0059 849 PHE 61 C 0.0025 -0.0023 -0.0053 850 PHE 61 O 0.0026 -0.0019 -0.0051 851 PHE 61 CB 0.0023 -0.0020 -0.0057 852 PHE 61 CG 0.0021 -0.0018 -0.0062 853 PHE 61 CD1 0.0019 -0.0023 -0.0066 854 PHE 61 CD2 0.0020 -0.0012 -0.0064 855 PHE 61 CE1 0.0017 -0.0022 -0.0071 856 PHE 61 CE2 0.0018 -0.0011 -0.0069 857 PHE 61 CZ 0.0016 -0.0016 -0.0072 858 PHE 61 H 0.0022 -0.0013 -0.0061 859 PHE 61 HA 0.0021 -0.0026 -0.0062 860 PHE 61 HB2 0.0024 -0.0016 -0.0055 861 PHE 61 HB3 0.0024 -0.0024 -0.0055 862 PHE 61 HD1 0.0020 -0.0028 -0.0065 863 PHE 61 HD2 0.0021 -0.0008 -0.0062 864 PHE 61 HE1 0.0016 -0.0026 -0.0073 865 PHE 61 HE2 0.0017 -0.0006 -0.0070 866 PHE 61 HZ 0.0015 -0.0015 -0.0076 867 SER 62 N 0.0006 -0.0051 -0.0045 868 SER 62 CA 0.0010 -0.0053 -0.0036 869 SER 62 C 0.0011 -0.0048 -0.0030 870 SER 62 O 0.0010 -0.0047 -0.0032 871 SER 62 CB 0.0012 -0.0063 -0.0035 872 SER 62 OG 0.0016 -0.0065 -0.0027 873 SER 62 H 0.0005 -0.0056 -0.0048 874 SER 62 HA 0.0010 -0.0052 -0.0035 875 SER 62 HB2 0.0011 -0.0067 -0.0039 876 SER 62 HB3 0.0012 -0.0065 -0.0036 877 SER 62 HG 0.0016 -0.0062 -0.0024 878 THR 63 N -0.0001 -0.0060 -0.0043 879 THR 63 CA 0.0015 -0.0060 -0.0034 880 THR 63 C 0.0024 -0.0078 -0.0026 881 THR 63 O 0.0037 -0.0080 -0.0018 882 THR 63 CB 0.0027 -0.0042 -0.0031 883 THR 63 OG1 0.0029 -0.0043 -0.0030 884 THR 63 CG2 0.0020 -0.0023 -0.0038 885 THR 63 H -0.0001 -0.0053 -0.0044 886 THR 63 HA 0.0014 -0.0059 -0.0035 887 THR 63 HB 0.0038 -0.0043 -0.0025 888 THR 63 HG1 0.0035 -0.0034 -0.0029 889 THR 63 HG21 0.0028 -0.0013 -0.0036 890 THR 63 HG22 0.0020 -0.0023 -0.0039 891 THR 63 HG23 0.0009 -0.0023 -0.0045 892 ASN 64 N -0.0016 -0.0113 0.0015 893 ASN 64 CA -0.0011 -0.0134 0.0031 894 ASN 64 C -0.0015 -0.0146 0.0031 895 ASN 64 O -0.0027 -0.0153 0.0016 896 ASN 64 CB -0.0020 -0.0152 0.0026 897 ASN 64 CG -0.0016 -0.0174 0.0042 898 ASN 64 OD1 -0.0003 -0.0172 0.0060 899 ASN 64 ND2 -0.0027 -0.0194 0.0035 900 ASN 64 H -0.0024 -0.0116 0.0003 901 ASN 64 HA -0.0001 -0.0130 0.0044 902 ASN 64 HB2 -0.0019 -0.0144 0.0024 903 ASN 64 HB3 -0.0031 -0.0157 0.0013 904 ASN 64 HD21 -0.0025 -0.0207 0.0044 905 ASN 64 HD22 -0.0035 -0.0195 0.0023 906 ASN 64 N -0.0015 -0.0113 0.0015 907 ASN 64 CA -0.0011 -0.0133 0.0031 908 ASN 64 C -0.0014 -0.0144 0.0031 909 ASN 64 O -0.0026 -0.0148 0.0015 910 ASN 64 CB -0.0018 -0.0152 0.0029 911 ASN 64 CG -0.0013 -0.0146 0.0034 912 ASN 64 OD1 -0.0000 -0.0131 0.0046 913 ASN 64 ND2 -0.0022 -0.0155 0.0025 914 ASN 64 H -0.0024 -0.0116 0.0004 915 ASN 64 HA -0.0000 -0.0128 0.0045 916 ASN 64 HB2 -0.0029 -0.0155 0.0015 917 ASN 64 HB3 -0.0016 -0.0167 0.0038 918 ASN 64 HD21 -0.0020 -0.0152 0.0027 919 ASN 64 HD22 -0.0031 -0.0165 0.0016 920 CYS 65 N -0.0024 -0.0177 -0.0010 921 CYS 65 CA -0.0024 -0.0165 -0.0023 922 CYS 65 C -0.0018 -0.0193 -0.0036 923 CYS 65 O -0.0016 -0.0218 -0.0019 924 CYS 65 CB -0.0031 -0.0148 0.0003 925 CYS 65 SG -0.0032 -0.0131 -0.0010 926 CYS 65 HA -0.0024 -0.0150 -0.0041 927 CYS 65 HB2 -0.0035 -0.0131 0.0012 928 CYS 65 HB3 -0.0031 -0.0164 0.0021 929 CYS 65 H -0.0028 -0.0175 0.0011 930 CYS 65 H -0.0028 -0.0177 0.0011 931 PRO 66 N 0.0010 -0.0192 -0.0039 932 PRO 66 CA 0.0019 -0.0229 -0.0059 933 PRO 66 C 0.0018 -0.0237 -0.0038 934 PRO 66 O 0.0026 -0.0271 -0.0050 935 PRO 66 CB 0.0022 -0.0215 -0.0109 936 PRO 66 CG 0.0012 -0.0164 -0.0108 937 PRO 66 CD 0.0006 -0.0154 -0.0072 938 PRO 66 HA 0.0024 -0.0256 -0.0056 939 PRO 66 HB2 0.0025 -0.0224 -0.0120 940 PRO 66 HB3 0.0027 -0.0227 -0.0126 941 PRO 66 HG2 0.0009 -0.0151 -0.0101 942 PRO 66 HG3 0.0014 -0.0152 -0.0137 943 PRO 66 HD2 -0.0001 -0.0126 -0.0058 944 PRO 66 HD3 0.0008 -0.0155 -0.0084 945 HIS 67 N -0.0027 -0.0259 -0.0009 946 HIS 67 CA -0.0046 -0.0257 0.0031 947 HIS 67 C -0.0059 -0.0323 0.0085 948 HIS 67 O -0.0046 -0.0378 0.0076 949 HIS 67 CB -0.0072 -0.0182 0.0064 950 HIS 67 CG -0.0093 -0.0177 0.0109 951 HIS 67 ND1 -0.0126 -0.0152 0.0175 952 HIS 67 CD2 -0.0085 -0.0194 0.0098 953 HIS 67 CE1 -0.0138 -0.0152 0.0202 954 HIS 67 NE2 -0.0114 -0.0179 0.0157 955 HIS 67 H -0.0037 -0.0226 0.0001 956 HIS 67 HA -0.0032 -0.0262 0.0002 957 HIS 67 HB2 -0.0062 -0.0143 0.0028 958 HIS 67 HB3 -0.0086 -0.0175 0.0093 959 HIS 67 HD2 -0.0065 -0.0212 0.0058 960 HIS 67 HE1 -0.0160 -0.0137 0.0245 961 HIS 67 HE2 -0.0116 -0.0186 0.0164 962 LEU 68 N -0.0102 -0.0306 0.0123 963 LEU 68 CA -0.0109 -0.0372 0.0193 964 LEU 68 C -0.0109 -0.0361 0.0206 965 LEU 68 O -0.0115 -0.0388 0.0280 966 LEU 68 CB -0.0114 -0.0364 0.0288 967 LEU 68 CG -0.0116 -0.0403 0.0285 968 LEU 68 CD1 -0.0120 -0.0389 0.0380 969 LEU 68 CD2 -0.0121 -0.0507 0.0257 970 LEU 68 H -0.0098 -0.0249 0.0128 971 LEU 68 HA -0.0112 -0.0436 0.0171 972 LEU 68 HB2 -0.0111 -0.0298 0.0306 973 LEU 68 HB3 -0.0118 -0.0400 0.0335 974 LEU 68 HG -0.0111 -0.0367 0.0236 975 LEU 68 HD11 -0.0121 -0.0414 0.0377 976 LEU 68 HD12 -0.0117 -0.0322 0.0395 977 LEU 68 HD13 -0.0125 -0.0423 0.0428 978 LEU 68 HD21 -0.0123 -0.0532 0.0271 979 LEU 68 HD22 -0.0125 -0.0541 0.0294 980 LEU 68 HD23 -0.0118 -0.0513 0.0190 981 GLY 69 N -0.0053 -0.0258 0.0085 982 GLY 69 CA -0.0053 -0.0251 0.0083 983 GLY 69 C -0.0047 -0.0222 0.0100 984 GLY 69 O -0.0047 -0.0218 0.0102 985 GLY 69 H -0.0056 -0.0250 0.0070 986 GLY 69 HA2 -0.0058 -0.0248 0.0061 987 GLY 69 HA3 -0.0053 -0.0270 0.0090 988 CYS 70 N -0.0107 -0.0222 0.0111 989 CYS 70 CA -0.0118 -0.0202 0.0129 990 CYS 70 C -0.0090 -0.0196 0.0091 991 CYS 70 O -0.0061 -0.0195 0.0052 992 CYS 70 CB -0.0132 -0.0148 0.0157 993 CYS 70 SG -0.0172 -0.0155 0.0210 994 CYS 70 H -0.0108 -0.0199 0.0115 995 CYS 70 HA -0.0136 -0.0229 0.0148 996 CYS 70 HB2 -0.0117 -0.0123 0.0140 997 CYS 70 HB3 -0.0135 -0.0133 0.0164 998 GLY 71 N -0.0065 -0.0155 0.0033 999 GLY 71 CA -0.0051 -0.0150 0.0014 1000 GLY 71 C -0.0040 -0.0122 0.0009 1001 GLY 71 O -0.0045 -0.0103 0.0025 1002 GLY 71 H -0.0073 -0.0157 0.0046 1003 GLY 71 HA2 -0.0045 -0.0162 0.0000 1004 GLY 71 HA3 -0.0055 -0.0153 0.0019 1005 ILE 72 N -0.0014 -0.0093 -0.0046 1006 ILE 72 CA -0.0003 -0.0078 -0.0049 1007 ILE 72 C 0.0004 -0.0071 -0.0054 1008 ILE 72 O 0.0005 -0.0079 -0.0066 1009 ILE 72 CB 0.0003 -0.0079 -0.0062 1010 ILE 72 CG1 -0.0004 -0.0085 -0.0056 1011 ILE 72 CG2 0.0015 -0.0064 -0.0067 1012 ILE 72 CD1 0.0001 -0.0089 -0.0069 1013 ILE 72 H -0.0014 -0.0101 -0.0055 1014 ILE 72 HA -0.0005 -0.0070 -0.0039 1015 ILE 72 HB 0.0003 -0.0088 -0.0072 1016 ILE 72 HG12 -0.0004 -0.0076 -0.0047 1017 ILE 72 HG13 -0.0012 -0.0094 -0.0052 1018 ILE 72 HG21 0.0018 -0.0065 -0.0075 1019 ILE 72 HG22 0.0019 -0.0062 -0.0073 1020 ILE 72 HG23 0.0015 -0.0055 -0.0058 1021 ILE 72 HD11 -0.0003 -0.0090 -0.0063 1022 ILE 72 HD12 -0.0001 -0.0099 -0.0077 1023 ILE 72 HD13 0.0009 -0.0080 -0.0074 1024 ASP 73 N 0.0013 -0.0083 -0.0152 1025 ASP 73 CA 0.0024 -0.0091 -0.0159 1026 ASP 73 C 0.0041 -0.0089 -0.0154 1027 ASP 73 O 0.0044 -0.0080 -0.0144 1028 ASP 73 CB 0.0020 -0.0089 -0.0157 1029 ASP 73 CG 0.0004 -0.0091 -0.0162 1030 ASP 73 OD1 -0.0002 -0.0099 -0.0171 1031 ASP 73 OD2 -0.0004 -0.0085 -0.0157 1032 ASP 73 H 0.0012 -0.0077 -0.0145 1033 ASP 73 HA 0.0023 -0.0098 -0.0167 1034 ASP 73 HB2 0.0021 -0.0081 -0.0149 1035 ASP 73 HB3 0.0028 -0.0093 -0.0161 1036 TRP 74 N 0.0080 -0.0031 -0.0225 1037 TRP 74 CA 0.0083 -0.0060 -0.0199 1038 TRP 74 C 0.0103 -0.0094 -0.0216 1039 TRP 74 O 0.0114 -0.0096 -0.0244 1040 TRP 74 CB 0.0077 -0.0056 -0.0186 1041 TRP 74 CG 0.0081 -0.0088 -0.0162 1042 TRP 74 CD1 0.0093 -0.0111 -0.0169 1043 TRP 74 CD2 0.0073 -0.0099 -0.0126 1044 TRP 74 NE1 0.0093 -0.0136 -0.0141 1045 TRP 74 CE2 0.0081 -0.0130 -0.0114 1046 TRP 74 CE3 0.0060 -0.0087 -0.0104 1047 TRP 74 CZ2 0.0076 -0.0147 -0.0080 1048 TRP 74 CZ3 0.0055 -0.0104 -0.0070 1049 TRP 74 CH2 0.0064 -0.0134 -0.0059 1050 TRP 74 H 0.0083 -0.0024 -0.0240 1051 TRP 74 HA 0.0077 -0.0062 -0.0180 1052 TRP 74 HB2 0.0064 -0.0036 -0.0172 1053 TRP 74 HB3 0.0082 -0.0052 -0.0206 1054 TRP 74 HD1 0.0101 -0.0111 -0.0191 1055 TRP 74 HE1 0.0100 -0.0152 -0.0139 1056 TRP 74 HE3 0.0055 -0.0067 -0.0112 1057 TRP 74 HZ2 0.0081 -0.0166 -0.0072 1058 TRP 74 HZ3 0.0047 -0.0096 -0.0055 1059 TRP 74 HH2 0.0060 -0.0146 -0.0036 1060 ALA 75 N 0.0119 -0.0143 -0.0300 1061 ALA 75 CA 0.0150 -0.0219 -0.0332 1062 ALA 75 C 0.0169 -0.0284 -0.0275 1063 ALA 75 O 0.0166 -0.0295 -0.0203 1064 ALA 75 CB 0.0151 -0.0222 -0.0331 1065 ALA 75 H 0.0109 -0.0129 -0.0256 1066 ALA 75 HA 0.0158 -0.0225 -0.0389 1067 ALA 75 HB1 0.0172 -0.0274 -0.0350 1068 ALA 75 HB2 0.0140 -0.0180 -0.0368 1069 ALA 75 HB3 0.0143 -0.0215 -0.0274 1070 ASN 76 N 0.0278 -0.0331 -0.0368 1071 ASN 76 CA 0.0235 -0.0399 -0.0291 1072 ASN 76 C 0.0246 -0.0545 -0.0285 1073 ASN 76 O 0.0200 -0.0609 -0.0204 1074 ASN 76 CB 0.0248 -0.0369 -0.0316 1075 ASN 76 CG 0.0188 -0.0279 -0.0236 1076 ASN 76 OD1 0.0126 -0.0302 -0.0137 1077 ASN 76 ND2 0.0206 -0.0176 -0.0280 1078 ASN 76 H 0.0313 -0.0302 -0.0427 1079 ASN 76 HA 0.0186 -0.0369 -0.0219 1080 ASN 76 HB2 0.0291 -0.0327 -0.0389 1081 ASN 76 HB3 0.0254 -0.0448 -0.0313 1082 ASN 76 HD21 0.0249 -0.0163 -0.0349 1083 ASN 76 HD22 0.0174 -0.0122 -0.0238 1084 ASP 77 N 0.0335 -0.0729 -0.0471 1085 ASP 77 CA 0.0371 -0.0903 -0.0450 1086 ASP 77 C 0.0340 -0.0893 -0.0294 1087 ASP 77 O 0.0344 -0.1015 -0.0165 1088 ASP 77 CB 0.0419 -0.0962 -0.0638 1089 ASP 77 CG 0.0405 -0.0819 -0.0741 1090 ASP 77 OD1 0.0358 -0.0661 -0.0683 1091 ASP 77 OD2 0.0444 -0.0868 -0.0892 1092 ASP 77 H 0.0337 -0.0661 -0.0569 1093 ASP 77 HA 0.0387 -0.1003 -0.0412 1094 ASP 77 HB2 0.0441 -0.1073 -0.0615 1095 ASP 77 HB3 0.0441 -0.0989 -0.0721 1096 VAL 78 N 0.0256 -0.0490 -0.0251 1097 VAL 78 CA 0.0247 -0.0457 -0.0148 1098 VAL 78 C 0.0227 -0.0413 -0.0075 1099 VAL 78 O 0.0221 -0.0388 0.0017 1100 VAL 78 CB 0.0209 -0.0394 -0.0164 1101 VAL 78 CG1 0.0234 -0.0445 -0.0220 1102 VAL 78 CG2 0.0156 -0.0309 -0.0226 1103 VAL 78 H 0.0230 -0.0450 -0.0300 1104 VAL 78 HA 0.0280 -0.0510 -0.0111 1105 VAL 78 HB 0.0203 -0.0372 -0.0094 1106 VAL 78 HG11 0.0209 -0.0403 -0.0227 1107 VAL 78 HG12 0.0267 -0.0497 -0.0178 1108 VAL 78 HG13 0.0240 -0.0467 -0.0290 1109 VAL 78 HG21 0.0131 -0.0266 -0.0227 1110 VAL 78 HG22 0.0161 -0.0329 -0.0299 1111 VAL 78 HG23 0.0142 -0.0279 -0.0192 1112 SER 79 N 0.0156 -0.0399 -0.0152 1113 SER 79 CA 0.0147 -0.0354 -0.0085 1114 SER 79 C 0.0131 -0.0273 -0.0057 1115 SER 79 O 0.0129 -0.0259 0.0019 1116 SER 79 CB 0.0160 -0.0411 -0.0007 1117 SER 79 OG 0.0173 -0.0474 -0.0032 1118 SER 79 H 0.0158 -0.0411 -0.0196 1119 SER 79 HA 0.0144 -0.0338 -0.0110 1120 SER 79 HB2 0.0166 -0.0439 0.0012 1121 SER 79 HB3 0.0154 -0.0377 0.0040 1122 SER 79 HG 0.0180 -0.0505 0.0010 1123 ARG 80 N 0.0117 -0.0156 -0.0113 1124 ARG 80 CA 0.0103 -0.0120 -0.0105 1125 ARG 80 C 0.0084 -0.0110 -0.0131 1126 ARG 80 O 0.0077 -0.0126 -0.0159 1127 ARG 80 CB 0.0096 -0.0104 -0.0103 1128 ARG 80 CG 0.0113 -0.0113 -0.0080 1129 ARG 80 CD 0.0126 -0.0102 -0.0044 1130 ARG 80 NE 0.0139 -0.0105 -0.0022 1131 ARG 80 CZ 0.0155 -0.0105 0.0009 1132 ARG 80 NH1 0.0162 -0.0102 0.0024 1133 ARG 80 NH2 0.0165 -0.0106 0.0026 1134 ARG 80 H 0.0110 -0.0164 -0.0133 1135 ARG 80 HA 0.0111 -0.0114 -0.0084 1136 ARG 80 HB2 0.0087 -0.0109 -0.0124 1137 ARG 80 HB3 0.0087 -0.0080 -0.0096 1138 ARG 80 HG2 0.0122 -0.0137 -0.0084 1139 ARG 80 HG3 0.0106 -0.0103 -0.0082 1140 ARG 80 HD2 0.0117 -0.0080 -0.0039 1141 ARG 80 HD3 0.0136 -0.0117 -0.0039 1142 ARG 80 HE 0.0135 -0.0106 -0.0031 1143 ARG 80 HH11 0.0156 -0.0101 0.0013 1144 ARG 80 HH12 0.0173 -0.0102 0.0045 1145 ARG 80 HH21 0.0161 -0.0107 0.0017 1146 ARG 80 HH22 0.0176 -0.0106 0.0047 1147 PHE 81 N 0.0038 -0.0048 -0.0113 1148 PHE 81 CA 0.0037 -0.0038 -0.0121 1149 PHE 81 C 0.0035 -0.0033 -0.0132 1150 PHE 81 O 0.0035 -0.0030 -0.0129 1151 PHE 81 CB 0.0038 -0.0026 -0.0113 1152 PHE 81 CG 0.0039 -0.0029 -0.0105 1153 PHE 81 CD1 0.0038 -0.0032 -0.0110 1154 PHE 81 CD2 0.0042 -0.0029 -0.0091 1155 PHE 81 CE1 0.0040 -0.0034 -0.0102 1156 PHE 81 CE2 0.0043 -0.0032 -0.0083 1157 PHE 81 CZ 0.0042 -0.0034 -0.0089 1158 PHE 81 H 0.0039 -0.0044 -0.0106 1159 PHE 81 HA 0.0036 -0.0042 -0.0125 1160 PHE 81 HB2 0.0039 -0.0023 -0.0108 1161 PHE 81 HB3 0.0037 -0.0019 -0.0119 1162 PHE 81 HD1 0.0037 -0.0032 -0.0119 1163 PHE 81 HD2 0.0042 -0.0027 -0.0088 1164 PHE 81 HE1 0.0039 -0.0036 -0.0106 1165 PHE 81 HE2 0.0045 -0.0032 -0.0074 1166 PHE 81 HZ 0.0043 -0.0036 -0.0084 1167 LEU 82 N 0.0005 -0.0021 -0.0136 1168 LEU 82 CA -0.0022 0.0004 -0.0156 1169 LEU 82 C -0.0044 0.0018 -0.0174 1170 LEU 82 O -0.0050 -0.0005 -0.0184 1171 LEU 82 CB -0.0040 -0.0021 -0.0177 1172 LEU 82 CG -0.0022 -0.0042 -0.0164 1173 LEU 82 CD1 -0.0044 -0.0064 -0.0188 1174 LEU 82 CD2 -0.0007 -0.0011 -0.0145 1175 LEU 82 H 0.0001 -0.0041 -0.0144 1176 LEU 82 HA -0.0014 0.0027 -0.0146 1177 LEU 82 HB2 -0.0048 -0.0043 -0.0188 1178 LEU 82 HB3 -0.0057 -0.0003 -0.0189 1179 LEU 82 HG -0.0006 -0.0062 -0.0153 1180 LEU 82 HD11 -0.0032 -0.0077 -0.0180 1181 LEU 82 HD12 -0.0053 -0.0084 -0.0199 1182 LEU 82 HD13 -0.0060 -0.0044 -0.0199 1183 LEU 82 HD21 0.0003 -0.0025 -0.0139 1184 LEU 82 HD22 -0.0022 0.0010 -0.0156 1185 LEU 82 HD23 0.0009 0.0001 -0.0130 1186 CYS 83 N -0.0092 0.0002 -0.0026 1187 CYS 83 CA -0.0120 -0.0035 -0.0005 1188 CYS 83 C -0.0154 -0.0010 0.0032 1189 CYS 83 O -0.0157 0.0023 0.0039 1190 CYS 83 CB -0.0112 -0.0057 -0.0016 1191 CYS 83 SG -0.0148 -0.0101 0.0013 1192 CYS 83 H -0.0086 0.0025 -0.0029 1193 CYS 83 HA -0.0123 -0.0062 -0.0006 1194 CYS 83 HB2 -0.0091 -0.0073 -0.0039 1195 CYS 83 HB3 -0.0109 -0.0030 -0.0015 1196 PRO 84 N -0.0182 -0.0027 0.0077 1197 PRO 84 CA -0.0215 0.0012 0.0143 1198 PRO 84 C -0.0273 -0.0007 0.0191 1199 PRO 84 O -0.0301 0.0027 0.0248 1200 PRO 84 CB -0.0228 -0.0008 0.0141 1201 PRO 84 CG -0.0231 -0.0079 0.0089 1202 PRO 84 CD -0.0186 -0.0080 0.0040 1203 PRO 84 HA -0.0189 0.0062 0.0154 1204 PRO 84 HB2 -0.0266 -0.0009 0.0182 1205 PRO 84 HB3 -0.0195 0.0025 0.0132 1206 PRO 84 HG2 -0.0272 -0.0114 0.0106 1207 PRO 84 HG3 -0.0220 -0.0087 0.0071 1208 PRO 84 HD2 -0.0202 -0.0126 0.0020 1209 PRO 84 HD3 -0.0148 -0.0068 0.0008 1210 CYS 85 N -0.0253 -0.0021 0.0242 1211 CYS 85 CA -0.0280 -0.0054 0.0281 1212 CYS 85 C -0.0278 -0.0013 0.0287 1213 CYS 85 O -0.0306 0.0001 0.0337 1214 CYS 85 CB -0.0275 -0.0129 0.0257 1215 CYS 85 SG -0.0296 -0.0185 0.0281 1216 CYS 85 H -0.0235 -0.0043 0.0208 1217 CYS 85 HA -0.0304 -0.0055 0.0322 1218 CYS 85 HB2 -0.0249 -0.0132 0.0213 1219 CYS 85 HB3 -0.0287 -0.0147 0.0274 1220 HIS 86 N -0.0298 -0.0003 0.0301 1221 HIS 86 CA -0.0295 0.0043 0.0289 1222 HIS 86 C -0.0270 0.0109 0.0240 1223 HIS 86 O -0.0250 0.0136 0.0205 1224 HIS 86 CB -0.0276 -0.0006 0.0267 1225 HIS 86 CG -0.0295 -0.0080 0.0306 1226 HIS 86 ND1 -0.0278 -0.0147 0.0288 1227 HIS 86 CD2 -0.0329 -0.0095 0.0364 1228 HIS 86 CE1 -0.0301 -0.0202 0.0333 1229 HIS 86 NE2 -0.0333 -0.0171 0.0380 1230 HIS 86 H -0.0276 -0.0012 0.0267 1231 HIS 86 HA -0.0322 0.0064 0.0330 1232 HIS 86 HB2 -0.0248 -0.0019 0.0221 1233 HIS 86 HB3 -0.0281 0.0023 0.0270 1234 HIS 86 HD2 -0.0347 -0.0060 0.0388 1235 HIS 86 HE1 -0.0296 -0.0253 0.0332 1236 HIS 86 HE2 -0.0352 -0.0196 0.0414 1237 GLU 87 N -0.0278 0.0066 0.0199 1238 GLU 87 CA -0.0238 0.0154 0.0155 1239 GLU 87 C -0.0180 0.0139 0.0064 1240 GLU 87 O -0.0147 0.0207 0.0026 1241 GLU 87 CB -0.0255 0.0244 0.0196 1242 GLU 87 CG -0.0312 0.0266 0.0287 1243 GLU 87 CD -0.0326 0.0362 0.0324 1244 GLU 87 OE1 -0.0291 0.0437 0.0284 1245 GLU 87 OE2 -0.0371 0.0363 0.0393 1246 GLU 87 H -0.0293 0.0039 0.0218 1247 GLU 87 HA -0.0238 0.0167 0.0158 1248 GLU 87 HB2 -0.0254 0.0233 0.0193 1249 GLU 87 HB3 -0.0229 0.0301 0.0167 1250 GLU 87 HG2 -0.0315 0.0269 0.0292 1251 GLU 87 HG3 -0.0340 0.0213 0.0319 1252 GLY 88 N -0.0161 0.0086 0.0040 1253 GLY 88 CA -0.0115 0.0075 -0.0009 1254 GLY 88 C -0.0079 0.0098 -0.0037 1255 GLY 88 O -0.0089 0.0091 -0.0029 1256 GLY 88 H -0.0182 0.0052 0.0050 1257 GLY 88 HA2 -0.0105 0.0097 -0.0011 1258 GLY 88 HA3 -0.0117 0.0030 -0.0021 1259 VAL 89 N -0.0067 0.0097 -0.0078 1260 VAL 89 CA -0.0028 0.0086 -0.0088 1261 VAL 89 C 0.0019 0.0078 -0.0099 1262 VAL 89 O 0.0032 0.0108 -0.0093 1263 VAL 89 CB -0.0018 0.0126 -0.0079 1264 VAL 89 CG1 0.0022 0.0113 -0.0090 1265 VAL 89 CG2 -0.0064 0.0139 -0.0067 1266 VAL 89 H -0.0058 0.0117 -0.0074 1267 VAL 89 HA -0.0038 0.0056 -0.0094 1268 VAL 89 HB -0.0006 0.0155 -0.0073 1269 VAL 89 HG11 0.0024 0.0136 -0.0084 1270 VAL 89 HG12 0.0053 0.0112 -0.0096 1271 VAL 89 HG13 0.0013 0.0081 -0.0097 1272 VAL 89 HG21 -0.0056 0.0164 -0.0061 1273 VAL 89 HG22 -0.0077 0.0110 -0.0072 1274 VAL 89 HG23 -0.0088 0.0149 -0.0060 1275 PHE 90 N 0.0026 0.0028 -0.0102 1276 PHE 90 CA 0.0051 0.0019 -0.0118 1277 PHE 90 C 0.0067 0.0023 -0.0128 1278 PHE 90 O 0.0058 0.0019 -0.0123 1279 PHE 90 CB 0.0050 -0.0013 -0.0123 1280 PHE 90 CG 0.0030 -0.0022 -0.0112 1281 PHE 90 CD1 0.0006 -0.0030 -0.0098 1282 PHE 90 CD2 0.0036 -0.0021 -0.0115 1283 PHE 90 CE1 -0.0013 -0.0037 -0.0088 1284 PHE 90 CE2 0.0017 -0.0028 -0.0105 1285 PHE 90 CZ -0.0007 -0.0036 -0.0092 1286 PHE 90 H 0.0020 0.0020 -0.0099 1287 PHE 90 HA 0.0058 0.0031 -0.0121 1288 PHE 90 HB2 0.0046 -0.0026 -0.0122 1289 PHE 90 HB3 0.0066 -0.0017 -0.0133 1290 PHE 90 HD1 0.0002 -0.0031 -0.0096 1291 PHE 90 HD2 0.0052 -0.0016 -0.0124 1292 PHE 90 HE1 -0.0029 -0.0042 -0.0079 1293 PHE 90 HE2 0.0022 -0.0028 -0.0108 1294 PHE 90 HZ -0.0019 -0.0041 -0.0085 1295 ASP 91 N 0.0078 -0.0006 -0.0094 1296 ASP 91 CA 0.0084 -0.0017 -0.0089 1297 ASP 91 C 0.0090 -0.0032 -0.0084 1298 ASP 91 O 0.0089 -0.0033 -0.0084 1299 ASP 91 CB 0.0097 -0.0008 -0.0086 1300 ASP 91 CG 0.0112 -0.0003 -0.0081 1301 ASP 91 OD1 0.0116 -0.0009 -0.0078 1302 ASP 91 OD2 0.0121 0.0007 -0.0079 1303 ASP 91 H 0.0084 0.0003 -0.0093 1304 ASP 91 HA 0.0077 -0.0022 -0.0091 1305 ASP 91 HB2 0.0099 -0.0015 -0.0083 1306 ASP 91 HB3 0.0092 0.0002 -0.0089 1307 VAL 92 N 0.0051 -0.0071 -0.0059 1308 VAL 92 CA 0.0050 -0.0059 -0.0049 1309 VAL 92 C 0.0046 -0.0043 -0.0034 1310 VAL 92 O 0.0046 -0.0029 -0.0027 1311 VAL 92 CB 0.0042 -0.0074 -0.0042 1312 VAL 92 CG1 0.0030 -0.0083 -0.0024 1313 VAL 92 CG2 0.0042 -0.0064 -0.0037 1314 VAL 92 H 0.0047 -0.0084 -0.0057 1315 VAL 92 HA 0.0056 -0.0052 -0.0058 1316 VAL 92 HB 0.0044 -0.0086 -0.0052 1317 VAL 92 HG11 0.0026 -0.0095 -0.0021 1318 VAL 92 HG12 0.0030 -0.0088 -0.0027 1319 VAL 92 HG13 0.0027 -0.0072 -0.0014 1320 VAL 92 HG21 0.0037 -0.0074 -0.0033 1321 VAL 92 HG22 0.0040 -0.0053 -0.0027 1322 VAL 92 HG23 0.0049 -0.0059 -0.0048 1323 ASN 93 N 0.0070 -0.0037 -0.0061 1324 ASN 93 CA 0.0072 -0.0029 -0.0055 1325 ASN 93 C 0.0079 -0.0021 -0.0060 1326 ASN 93 O 0.0082 -0.0014 -0.0056 1327 ASN 93 CB 0.0069 -0.0033 -0.0051 1328 ASN 93 CG 0.0062 -0.0040 -0.0043 1329 ASN 93 OD1 0.0061 -0.0039 -0.0037 1330 ASN 93 ND2 0.0058 -0.0047 -0.0044 1331 ASN 93 H 0.0068 -0.0041 -0.0065 1332 ASN 93 HA 0.0072 -0.0027 -0.0049 1333 ASN 93 HB2 0.0069 -0.0036 -0.0057 1334 ASN 93 HB3 0.0071 -0.0027 -0.0047 1335 ASN 93 HD21 0.0059 -0.0048 -0.0049 1336 ASN 93 HD22 0.0054 -0.0051 -0.0040 1337 GLY 94 N 0.0071 -0.0040 -0.0112 1338 GLY 94 CA 0.0081 -0.0042 -0.0113 1339 GLY 94 C 0.0085 -0.0035 -0.0129 1340 GLY 94 O 0.0093 -0.0036 -0.0130 1341 GLY 94 H 0.0061 -0.0039 -0.0110 1342 GLY 94 HA2 0.0075 -0.0043 -0.0107 1343 GLY 94 HA3 0.0091 -0.0046 -0.0109 1344 LYS 95 N 0.0159 -0.0021 -0.0155 1345 LYS 95 CA 0.0167 0.0014 -0.0182 1346 LYS 95 C 0.0120 0.0037 -0.0168 1347 LYS 95 O 0.0082 0.0051 -0.0153 1348 LYS 95 CB 0.0184 0.0052 -0.0218 1349 LYS 95 CG 0.0196 0.0088 -0.0248 1350 LYS 95 CD 0.0197 0.0133 -0.0279 1351 LYS 95 CE 0.0202 0.0172 -0.0307 1352 LYS 95 NZ 0.0198 0.0161 -0.0297 1353 LYS 95 H 0.0156 -0.0012 -0.0159 1354 LYS 95 HA 0.0191 -0.0002 -0.0187 1355 LYS 95 HB2 0.0213 0.0036 -0.0226 1356 LYS 95 HB3 0.0159 0.0069 -0.0213 1357 LYS 95 HG2 0.0171 0.0097 -0.0239 1358 LYS 95 HG3 0.0227 0.0074 -0.0259 1359 LYS 95 HD2 0.0225 0.0126 -0.0291 1360 LYS 95 HD3 0.0168 0.0146 -0.0268 1361 LYS 95 HE2 0.0233 0.0177 -0.0330 1362 LYS 95 HE3 0.0177 0.0201 -0.0310 1363 LYS 95 HZ1 0.0169 0.0156 -0.0276 1364 LYS 95 HZ2 0.0201 0.0185 -0.0314 1365 LYS 95 HZ3 0.0221 0.0134 -0.0294 1366 THR 96 N 0.0115 0.0048 -0.0212 1367 THR 96 CA 0.0079 0.0072 -0.0184 1368 THR 96 C 0.0085 0.0126 -0.0188 1369 THR 96 O 0.0110 0.0146 -0.0207 1370 THR 96 CB 0.0065 0.0062 -0.0173 1371 THR 96 OG1 0.0069 0.0013 -0.0176 1372 THR 96 CG2 0.0023 0.0077 -0.0141 1373 THR 96 H 0.0125 0.0035 -0.0219 1374 THR 96 HA 0.0061 0.0061 -0.0170 1375 THR 96 HB 0.0079 0.0080 -0.0183 1376 THR 96 HG1 0.0061 0.0007 -0.0170 1377 THR 96 HG21 0.0010 0.0059 -0.0131 1378 THR 96 HG22 0.0021 0.0111 -0.0139 1379 THR 96 HG23 0.0011 0.0071 -0.0131 1380 ILE 97 N 0.0089 0.0175 -0.0111 1381 ILE 97 CA 0.0095 0.0217 -0.0106 1382 ILE 97 C 0.0048 0.0247 -0.0099 1383 ILE 97 O 0.0050 0.0288 -0.0093 1384 ILE 97 CB 0.0119 0.0204 -0.0109 1385 ILE 97 CG1 0.0086 0.0169 -0.0112 1386 ILE 97 CG2 0.0169 0.0180 -0.0116 1387 ILE 97 CD1 0.0106 0.0156 -0.0115 1388 ILE 97 H 0.0067 0.0153 -0.0112 1389 ILE 97 HA 0.0118 0.0240 -0.0105 1390 ILE 97 HB 0.0123 0.0234 -0.0106 1391 ILE 97 HG12 0.0082 0.0138 -0.0116 1392 ILE 97 HG13 0.0054 0.0184 -0.0107 1393 ILE 97 HG21 0.0186 0.0176 -0.0118 1394 ILE 97 HG22 0.0188 0.0200 -0.0115 1395 ILE 97 HG23 0.0163 0.0147 -0.0120 1396 ILE 97 HD11 0.0081 0.0138 -0.0116 1397 ILE 97 HD12 0.0115 0.0187 -0.0111 1398 ILE 97 HD13 0.0136 0.0136 -0.0120 1399 SER 98 N 0.0022 0.0245 -0.0120 1400 SER 98 C -0.0068 0.0221 -0.0063 1401 SER 98 O -0.0062 0.0162 -0.0067 1402 SER 98 CA -0.0029 0.0276 -0.0087 1403 SER 98 CB -0.0059 0.0319 -0.0068 1404 SER 98 OG -0.0087 0.0280 -0.0050 1405 SER 98 H 0.0019 0.0202 -0.0119 1406 SER 98 HA -0.0020 0.0306 -0.0093 1407 SER 98 HB2 -0.0087 0.0347 -0.0049 1408 SER 98 HB3 -0.0031 0.0347 -0.0085 1409 SER 98 HG -0.0113 0.0257 -0.0033 1410 SER 98 CA -0.0031 0.0275 -0.0086 1411 SER 98 CB -0.0061 0.0308 -0.0066 1412 SER 98 OG -0.0104 0.0351 -0.0038 1413 SER 98 H 0.0020 0.0202 -0.0120 1414 SER 98 HA -0.0023 0.0309 -0.0091 1415 SER 98 HB2 -0.0034 0.0334 -0.0084 1416 SER 98 HB3 -0.0078 0.0273 -0.0056 1417 SER 98 HG -0.0123 0.0332 -0.0026 1418 GLY 99 N -0.0098 0.0252 -0.0044 1419 GLY 99 CA -0.0128 0.0197 -0.0008 1420 GLY 99 C -0.0101 0.0155 -0.0028 1421 GLY 99 O -0.0058 0.0169 -0.0071 1422 GLY 99 H -0.0103 0.0293 -0.0045 1423 GLY 99 HA2 -0.0161 0.0219 0.0021 1424 GLY 99 HA3 -0.0134 0.0162 0.0003 1425 PRO 100 N -0.0116 0.0087 0.0002 1426 PRO 100 CA -0.0096 0.0040 -0.0012 1427 PRO 100 C -0.0056 -0.0027 -0.0047 1428 PRO 100 O -0.0040 -0.0072 -0.0057 1429 PRO 100 CB -0.0141 0.0011 0.0054 1430 PRO 100 CG -0.0169 0.0002 0.0092 1431 PRO 100 CD -0.0164 0.0071 0.0068 1432 PRO 100 HA -0.0085 0.0073 -0.0035 1433 PRO 100 HB2 -0.0131 -0.0038 0.0053 1434 PRO 100 HB3 -0.0160 0.0049 0.0068 1435 PRO 100 HG2 -0.0156 -0.0046 0.0087 1436 PRO 100 HG3 -0.0203 0.0004 0.0136 1437 PRO 100 HD2 -0.0164 0.0057 0.0071 1438 PRO 100 HD3 -0.0190 0.0114 0.0090 1439 ALA 101 N -0.0037 -0.0038 -0.0054 1440 ALA 101 CA -0.0010 -0.0091 -0.0080 1441 ALA 101 C 0.0021 -0.0098 -0.0135 1442 ALA 101 O 0.0027 -0.0051 -0.0169 1443 ALA 101 CB -0.0005 -0.0085 -0.0092 1444 ALA 101 H -0.0046 -0.0009 -0.0051 1445 ALA 101 HA -0.0015 -0.0129 -0.0054 1446 ALA 101 HB1 0.0012 -0.0122 -0.0108 1447 ALA 101 HB2 -0.0025 -0.0082 -0.0056 1448 ALA 101 HB3 -0.0001 -0.0048 -0.0118 1449 PRO 102 N 0.0048 -0.0188 -0.0184 1450 PRO 102 CA 0.0079 -0.0206 -0.0255 1451 PRO 102 C 0.0092 -0.0204 -0.0305 1452 PRO 102 O 0.0118 -0.0218 -0.0366 1453 PRO 102 CB 0.0112 -0.0277 -0.0237 1454 PRO 102 CG 0.0107 -0.0303 -0.0173 1455 PRO 102 CD 0.0064 -0.0247 -0.0129 1456 PRO 102 HA 0.0070 -0.0178 -0.0277 1457 PRO 102 HB2 0.0137 -0.0301 -0.0277 1458 PRO 102 HB3 0.0109 -0.0277 -0.0226 1459 PRO 102 HG2 0.0117 -0.0314 -0.0189 1460 PRO 102 HG3 0.0119 -0.0341 -0.0147 1461 PRO 102 HD2 0.0056 -0.0248 -0.0103 1462 PRO 102 HD3 0.0055 -0.0249 -0.0096 1463 ARG 103 N 0.0067 -0.0199 -0.0223 1464 ARG 103 CA 0.0056 -0.0188 -0.0248 1465 ARG 103 C 0.0034 -0.0149 -0.0219 1466 ARG 103 O 0.0031 -0.0137 -0.0180 1467 ARG 103 CB 0.0079 -0.0222 -0.0248 1468 ARG 103 CG 0.0098 -0.0239 -0.0199 1469 ARG 103 CD 0.0110 -0.0256 -0.0196 1470 ARG 103 NE 0.0088 -0.0224 -0.0197 1471 ARG 103 CZ 0.0091 -0.0231 -0.0208 1472 ARG 103 NH1 0.0115 -0.0268 -0.0218 1473 ARG 103 NH2 0.0069 -0.0199 -0.0208 1474 ARG 103 H 0.0063 -0.0188 -0.0194 1475 ARG 103 HA 0.0048 -0.0182 -0.0281 1476 ARG 103 HB2 0.0071 -0.0211 -0.0259 1477 ARG 103 HB3 0.0092 -0.0244 -0.0271 1478 ARG 103 HG2 0.0113 -0.0260 -0.0194 1479 ARG 103 HG3 0.0086 -0.0217 -0.0173 1480 ARG 103 HD2 0.0120 -0.0276 -0.0223 1481 ARG 103 HD3 0.0123 -0.0269 -0.0165 1482 ARG 103 HE 0.0072 -0.0199 -0.0190 1483 ARG 103 HH11 0.0129 -0.0289 -0.0217 1484 ARG 103 HH12 0.0116 -0.0272 -0.0225 1485 ARG 103 HH21 0.0053 -0.0174 -0.0201 1486 ARG 103 HH22 0.0071 -0.0202 -0.0216 1487 GLY 104 N 0.0059 -0.0135 -0.0212 1488 GLY 104 CA 0.0050 -0.0107 -0.0200 1489 GLY 104 C 0.0053 -0.0125 -0.0178 1490 GLY 104 O 0.0063 -0.0159 -0.0169 1491 GLY 104 H 0.0062 -0.0142 -0.0236 1492 GLY 104 HA2 0.0043 -0.0088 -0.0182 1493 GLY 104 HA3 0.0048 -0.0093 -0.0224 1494 MET 105 N 0.0035 -0.0096 -0.0133 1495 MET 105 CA 0.0038 -0.0097 -0.0121 1496 MET 105 C 0.0040 -0.0108 -0.0131 1497 MET 105 O 0.0038 -0.0110 -0.0147 1498 MET 105 CB 0.0032 -0.0079 -0.0115 1499 MET 105 CG 0.0031 -0.0069 -0.0102 1500 MET 105 SD 0.0023 -0.0045 -0.0098 1501 MET 105 CE 0.0025 -0.0045 -0.0089 1502 MET 105 H 0.0031 -0.0086 -0.0136 1503 MET 105 HA 0.0042 -0.0102 -0.0110 1504 MET 105 HB2 0.0028 -0.0072 -0.0126 1505 MET 105 HB3 0.0033 -0.0079 -0.0109 1506 MET 105 HG2 0.0035 -0.0074 -0.0090 1507 MET 105 HG3 0.0031 -0.0071 -0.0107 1508 MET 105 HE1 0.0021 -0.0033 -0.0086 1509 MET 105 HE2 0.0025 -0.0050 -0.0098 1510 MET 105 HE3 0.0029 -0.0051 -0.0078 1511 TYR 106 N 0.0014 -0.0095 -0.0096 1512 TYR 106 CA 0.0024 -0.0112 -0.0104 1513 TYR 106 C 0.0009 -0.0091 -0.0107 1514 TYR 106 O 0.0002 -0.0071 -0.0085 1515 TYR 106 CB 0.0043 -0.0129 -0.0075 1516 TYR 106 CG 0.0058 -0.0149 -0.0069 1517 TYR 106 CD1 0.0068 -0.0174 -0.0091 1518 TYR 106 CD2 0.0063 -0.0145 -0.0041 1519 TYR 106 CE1 0.0083 -0.0193 -0.0086 1520 TYR 106 CE2 0.0077 -0.0164 -0.0035 1521 TYR 106 CZ 0.0087 -0.0188 -0.0057 1522 TYR 106 OH 0.0101 -0.0207 -0.0051 1523 TYR 106 H 0.0019 -0.0093 -0.0076 1524 TYR 106 HA 0.0027 -0.0125 -0.0124 1525 TYR 106 HB2 0.0040 -0.0116 -0.0055 1526 TYR 106 HB3 0.0049 -0.0140 -0.0081 1527 TYR 106 HD1 0.0066 -0.0178 -0.0110 1528 TYR 106 HD2 0.0056 -0.0128 -0.0025 1529 TYR 106 HE1 0.0089 -0.0210 -0.0101 1530 TYR 106 HE2 0.0080 -0.0160 -0.0016 1531 TYR 106 HH 0.0100 -0.0212 -0.0068 1532 SER 107 N 0.0015 -0.0051 -0.0067 1533 SER 107 CA -0.0003 -0.0040 -0.0059 1534 SER 107 C -0.0004 -0.0026 -0.0050 1535 SER 107 O -0.0003 -0.0030 -0.0053 1536 SER 107 CB -0.0023 -0.0051 -0.0065 1537 SER 107 OG -0.0026 -0.0060 -0.0071 1538 SER 107 H 0.0015 -0.0057 -0.0071 1539 SER 107 HA -0.0001 -0.0034 -0.0055 1540 SER 107 HB2 -0.0035 -0.0044 -0.0060 1541 SER 107 HB3 -0.0022 -0.0060 -0.0071 1542 SER 107 HG -0.0028 -0.0052 -0.0066 1543 SER 107 N 0.0015 -0.0051 -0.0067 1544 SER 107 CA -0.0003 -0.0041 -0.0060 1545 SER 107 C -0.0002 -0.0026 -0.0050 1546 SER 107 O 0.0004 -0.0028 -0.0052 1547 SER 107 CB -0.0023 -0.0052 -0.0066 1548 SER 107 OG -0.0042 -0.0043 -0.0060 1549 SER 107 H 0.0016 -0.0058 -0.0071 1550 SER 107 HA -0.0004 -0.0035 -0.0056 1551 SER 107 HB2 -0.0023 -0.0062 -0.0072 1552 SER 107 HB3 -0.0022 -0.0057 -0.0069 1553 SER 107 HG -0.0042 -0.0035 -0.0054 1554 TYR 108 N -0.0008 0.0020 -0.0010 1555 TYR 108 CA -0.0007 0.0027 -0.0004 1556 TYR 108 C -0.0015 0.0028 0.0001 1557 TYR 108 O -0.0022 0.0025 0.0002 1558 TYR 108 CB -0.0005 0.0032 -0.0001 1559 TYR 108 CG 0.0004 0.0034 -0.0004 1560 TYR 108 CD1 0.0007 0.0029 -0.0011 1561 TYR 108 CD2 0.0009 0.0041 -0.0001 1562 TYR 108 CE1 0.0015 0.0031 -0.0014 1563 TYR 108 CE2 0.0017 0.0043 -0.0004 1564 TYR 108 CZ 0.0020 0.0038 -0.0010 1565 TYR 108 OH 0.0028 0.0040 -0.0013 1566 TYR 108 H -0.0010 0.0019 -0.0010 1567 TYR 108 HA -0.0002 0.0029 -0.0005 1568 TYR 108 HB2 -0.0008 0.0030 -0.0001 1569 TYR 108 HB3 -0.0006 0.0036 0.0004 1570 TYR 108 HD1 0.0003 0.0024 -0.0013 1571 TYR 108 HD2 0.0007 0.0044 0.0003 1572 TYR 108 HE1 0.0017 0.0027 -0.0018 1573 TYR 108 HE2 0.0021 0.0047 -0.0002 1574 TYR 108 HH 0.0029 0.0044 -0.0011 1575 ARG 109 N -0.0018 0.0063 0.0026 1576 ARG 109 CA -0.0028 0.0064 0.0053 1577 ARG 109 C -0.0032 0.0061 0.0058 1578 ARG 109 O -0.0024 0.0072 0.0049 1579 ARG 109 CB -0.0023 0.0089 0.0064 1580 ARG 109 CG -0.0032 0.0093 0.0091 1581 ARG 109 CD -0.0027 0.0118 0.0101 1582 ARG 109 NE -0.0035 0.0121 0.0127 1583 ARG 109 CZ -0.0033 0.0142 0.0140 1584 ARG 109 NH1 -0.0022 0.0161 0.0130 1585 ARG 109 NH2 -0.0041 0.0143 0.0164 1586 ARG 109 H -0.0012 0.0077 0.0022 1587 ARG 109 HA -0.0035 0.0052 0.0059 1588 ARG 109 HB2 -0.0021 0.0090 0.0061 1589 ARG 109 HB3 -0.0016 0.0102 0.0058 1590 ARG 109 HG2 -0.0034 0.0093 0.0095 1591 ARG 109 HG3 -0.0039 0.0081 0.0098 1592 ARG 109 HD2 -0.0024 0.0119 0.0096 1593 ARG 109 HD3 -0.0020 0.0130 0.0095 1594 ARG 109 HE -0.0043 0.0109 0.0135 1595 ARG 109 HH11 -0.0016 0.0160 0.0114 1596 ARG 109 HH12 -0.0020 0.0174 0.0139 1597 ARG 109 HH21 -0.0049 0.0131 0.0171 1598 ARG 109 HH22 -0.0040 0.0156 0.0173 1599 THR 110 N 0.0002 0.0082 0.0043 1600 THR 110 CA 0.0002 0.0074 0.0042 1601 THR 110 C -0.0001 0.0071 0.0058 1602 THR 110 O -0.0003 0.0069 0.0070 1603 THR 110 CB 0.0002 0.0058 0.0034 1604 THR 110 OG1 0.0005 0.0060 0.0019 1605 THR 110 CG2 0.0003 0.0050 0.0031 1606 THR 110 H 0.0001 0.0078 0.0050 1607 THR 110 HA 0.0003 0.0081 0.0036 1608 THR 110 HB 0.0001 0.0051 0.0041 1609 THR 110 HG1 0.0005 0.0051 0.0015 1610 THR 110 HG21 0.0003 0.0040 0.0024 1611 THR 110 HG22 0.0001 0.0046 0.0041 1612 THR 110 HG23 0.0004 0.0057 0.0026 1613 THR 110 N 0.0002 0.0082 0.0043 1614 THR 110 CA 0.0002 0.0074 0.0042 1615 THR 110 C -0.0001 0.0071 0.0058 1616 THR 110 O -0.0003 0.0069 0.0070 1617 THR 110 CB 0.0002 0.0058 0.0034 1618 THR 110 OG1 0.0000 0.0048 0.0044 1619 THR 110 CG2 0.0005 0.0059 0.0018 1620 THR 110 H 0.0001 0.0079 0.0050 1621 THR 110 HA 0.0003 0.0081 0.0036 1622 THR 110 HB 0.0002 0.0052 0.0033 1623 THR 110 HG1 0.0001 0.0040 0.0039 1624 THR 110 HG21 0.0005 0.0052 0.0017 1625 THR 110 HG22 0.0006 0.0057 0.0010 1626 THR 110 HG23 0.0006 0.0070 0.0016 1627 LYS 111 N 0.0022 0.0086 0.0081 1628 LYS 111 CA 0.0019 0.0080 0.0100 1629 LYS 111 C 0.0016 0.0067 0.0097 1630 LYS 111 O 0.0018 0.0068 0.0081 1631 LYS 111 CB 0.0020 0.0096 0.0114 1632 LYS 111 CG 0.0023 0.0108 0.0109 1633 LYS 111 CD 0.0025 0.0124 0.0124 1634 LYS 111 CE 0.0028 0.0137 0.0118 1635 LYS 111 NZ 0.0030 0.0152 0.0133 1636 LYS 111 H 0.0023 0.0089 0.0072 1637 LYS 111 HA 0.0017 0.0072 0.0106 1638 LYS 111 HB2 0.0018 0.0091 0.0127 1639 LYS 111 HB3 0.0022 0.0105 0.0115 1640 LYS 111 HG2 0.0026 0.0114 0.0096 1641 LYS 111 HG3 0.0022 0.0100 0.0108 1642 LYS 111 HD2 0.0023 0.0119 0.0136 1643 LYS 111 HD3 0.0027 0.0133 0.0125 1644 LYS 111 HE2 0.0030 0.0144 0.0106 1645 LYS 111 HE3 0.0027 0.0129 0.0116 1646 LYS 111 HZ1 0.0030 0.0157 0.0138 1647 LYS 111 HZ2 0.0032 0.0162 0.0128 1648 LYS 111 HZ3 0.0028 0.0147 0.0143 1649 VAL 112 N 0.0080 0.0072 0.0080 1650 VAL 112 CA 0.0076 0.0055 0.0081 1651 VAL 112 C 0.0082 0.0058 0.0101 1652 VAL 112 O 0.0087 0.0060 0.0118 1653 VAL 112 CB 0.0071 0.0033 0.0083 1654 VAL 112 CG1 0.0068 0.0015 0.0085 1655 VAL 112 CG2 0.0066 0.0030 0.0065 1656 VAL 112 H 0.0082 0.0072 0.0090 1657 VAL 112 HA 0.0073 0.0055 0.0069 1658 VAL 112 HB 0.0075 0.0032 0.0096 1659 VAL 112 HG11 0.0065 0.0001 0.0086 1660 VAL 112 HG12 0.0072 0.0017 0.0097 1661 VAL 112 HG13 0.0064 0.0016 0.0072 1662 VAL 112 HG21 0.0063 0.0016 0.0066 1663 VAL 112 HG22 0.0062 0.0032 0.0052 1664 VAL 112 HG23 0.0068 0.0041 0.0065 1665 GLU 113 N 0.0066 0.0055 0.0146 1666 GLU 113 CA 0.0071 0.0059 0.0163 1667 GLU 113 C 0.0069 0.0040 0.0156 1668 GLU 113 O 0.0063 0.0038 0.0135 1669 GLU 113 CB 0.0070 0.0087 0.0160 1670 GLU 113 CG 0.0074 0.0091 0.0174 1671 GLU 113 CD 0.0073 0.0117 0.0170 1672 GLU 113 OE1 0.0073 0.0137 0.0173 1673 GLU 113 OE2 0.0071 0.0118 0.0164 1674 GLU 113 H 0.0062 0.0053 0.0130 1675 GLU 113 HA 0.0075 0.0057 0.0180 1676 GLU 113 HB2 0.0071 0.0100 0.0166 1677 GLU 113 HB3 0.0065 0.0090 0.0142 1678 GLU 113 HG2 0.0072 0.0078 0.0169 1679 GLU 113 HG3 0.0078 0.0089 0.0192 1680 ASN 114 N 0.0102 0.0019 0.0191 1681 ASN 114 CA 0.0097 -0.0008 0.0193 1682 ASN 114 C 0.0083 -0.0028 0.0164 1683 ASN 114 O 0.0076 -0.0038 0.0150 1684 ASN 114 CB 0.0101 0.0004 0.0197 1685 ASN 114 CG 0.0114 0.0023 0.0227 1686 ASN 114 OD1 0.0120 0.0017 0.0250 1687 ASN 114 ND2 0.0119 0.0045 0.0226 1688 ASN 114 H 0.0108 0.0020 0.0208 1689 ASN 114 HA 0.0099 -0.0023 0.0211 1690 ASN 114 HB2 0.0098 0.0018 0.0179 1691 ASN 114 HB3 0.0097 -0.0015 0.0200 1692 ASN 114 HD21 0.0127 0.0057 0.0242 1693 ASN 114 HD22 0.0114 0.0049 0.0210 1694 ASN 115 N 0.0100 -0.0019 0.0150 1695 ASN 115 CA 0.0084 -0.0030 0.0134 1696 ASN 115 C 0.0067 -0.0018 0.0113 1697 ASN 115 O 0.0052 -0.0028 0.0098 1698 ASN 115 CB 0.0081 -0.0061 0.0136 1699 ASN 115 CG 0.0070 -0.0073 0.0126 1700 ASN 115 OD1 0.0073 -0.0063 0.0127 1701 ASN 115 ND2 0.0058 -0.0094 0.0116 1702 ASN 115 H 0.0108 -0.0008 0.0156 1703 ASN 115 HA 0.0087 -0.0024 0.0136 1704 ASN 115 HB2 0.0092 -0.0068 0.0150 1705 ASN 115 HB3 0.0073 -0.0066 0.0129 1706 ASN 115 HD21 0.0056 -0.0100 0.0115 1707 ASN 115 HD22 0.0051 -0.0101 0.0110 1708 ASN 115 N 0.0100 -0.0019 0.0150 1709 ASN 115 CA 0.0084 -0.0029 0.0134 1710 ASN 115 C 0.0067 -0.0018 0.0112 1711 ASN 115 O 0.0052 -0.0028 0.0098 1712 ASN 115 CB 0.0080 -0.0060 0.0135 1713 ASN 115 CG 0.0095 -0.0074 0.0154 1714 ASN 115 OD1 0.0103 -0.0062 0.0162 1715 ASN 115 ND2 0.0098 -0.0097 0.0162 1716 ASN 115 H 0.0108 -0.0008 0.0157 1717 ASN 115 HA 0.0087 -0.0024 0.0136 1718 ASN 115 HB2 0.0080 -0.0066 0.0136 1719 ASN 115 HB3 0.0069 -0.0066 0.0124 1720 ASN 115 HD21 0.0092 -0.0105 0.0156 1721 ASN 115 HD22 0.0106 -0.0106 0.0173 1722 THR 116 N 0.0056 0.0008 0.0106 1723 THR 116 CA 0.0046 0.0020 0.0086 1724 THR 116 C 0.0048 0.0041 0.0081 1725 THR 116 O 0.0060 0.0054 0.0094 1726 THR 116 CB 0.0048 0.0027 0.0086 1727 THR 116 OG1 0.0044 0.0007 0.0088 1728 THR 116 CG2 0.0038 0.0043 0.0066 1729 THR 116 H 0.0064 0.0015 0.0116 1730 THR 116 HA 0.0037 0.0010 0.0076 1731 THR 116 HB 0.0057 0.0037 0.0097 1732 THR 116 HG1 0.0045 0.0011 0.0087 1733 THR 116 HG21 0.0038 0.0044 0.0065 1734 THR 116 HG22 0.0042 0.0058 0.0066 1735 THR 116 HG23 0.0029 0.0036 0.0055 1736 VAL 117 N 0.0026 0.0044 0.0056 1737 VAL 117 CA 0.0027 0.0055 0.0050 1738 VAL 117 C 0.0029 0.0069 0.0045 1739 VAL 117 O 0.0025 0.0069 0.0037 1740 VAL 117 CB 0.0020 0.0050 0.0038 1741 VAL 117 CG1 0.0021 0.0062 0.0032 1742 VAL 117 CG2 0.0018 0.0036 0.0042 1743 VAL 117 H 0.0022 0.0038 0.0050 1744 VAL 117 HA 0.0031 0.0057 0.0057 1745 VAL 117 HB 0.0016 0.0049 0.0030 1746 VAL 117 HG11 0.0016 0.0058 0.0025 1747 VAL 117 HG12 0.0021 0.0070 0.0027 1748 VAL 117 HG13 0.0025 0.0065 0.0039 1749 VAL 117 HG21 0.0014 0.0034 0.0034 1750 VAL 117 HG22 0.0022 0.0037 0.0050 1751 VAL 117 HG23 0.0017 0.0028 0.0045 1752 PHE 118 N 0.0018 0.0086 0.0058 1753 PHE 118 CA 0.0019 0.0105 0.0053 1754 PHE 118 C 0.0020 0.0113 0.0049 1755 PHE 118 O 0.0020 0.0109 0.0059 1756 PHE 118 CB 0.0022 0.0117 0.0069 1757 PHE 118 CG 0.0022 0.0114 0.0073 1758 PHE 118 CD1 0.0022 0.0124 0.0063 1759 PHE 118 CD2 0.0022 0.0100 0.0085 1760 PHE 118 CE1 0.0022 0.0121 0.0066 1761 PHE 118 CE2 0.0022 0.0097 0.0088 1762 PHE 118 CZ 0.0022 0.0108 0.0079 1763 PHE 118 H 0.0019 0.0084 0.0068 1764 PHE 118 HA 0.0018 0.0106 0.0043 1765 PHE 118 HB2 0.0023 0.0113 0.0080 1766 PHE 118 HB3 0.0023 0.0129 0.0066 1767 PHE 118 HD1 0.0022 0.0132 0.0055 1768 PHE 118 HD2 0.0022 0.0093 0.0092 1769 PHE 118 HE1 0.0022 0.0128 0.0060 1770 PHE 118 HE2 0.0023 0.0089 0.0097 1771 PHE 118 HZ 0.0022 0.0105 0.0081 1772 VAL 119 N 0.0001 0.0102 0.0041 1773 VAL 119 CA 0.0003 0.0102 0.0036 1774 VAL 119 C 0.0006 0.0116 0.0037 1775 VAL 119 O 0.0009 0.0125 0.0034 1776 VAL 119 CB 0.0007 0.0096 0.0023 1777 VAL 119 CG1 0.0004 0.0082 0.0024 1778 VAL 119 CG2 0.0011 0.0102 0.0015 1779 VAL 119 H 0.0004 0.0106 0.0037 1780 VAL 119 HA 0.0000 0.0098 0.0042 1781 VAL 119 HB 0.0008 0.0097 0.0021 1782 VAL 119 HG11 0.0006 0.0078 0.0015 1783 VAL 119 HG12 0.0001 0.0077 0.0029 1784 VAL 119 HG13 0.0002 0.0081 0.0027 1785 VAL 119 HG21 0.0013 0.0097 0.0007 1786 VAL 119 HG22 0.0010 0.0102 0.0018 1787 VAL 119 HG23 0.0013 0.0110 0.0014 1788 ASP 120 N 0.0000 0.0117 0.0045 1789 ASP 120 CA -0.0001 0.0132 0.0047 1790 ASP 120 C 0.0003 0.0134 0.0036 1791 ASP 120 O 0.0003 0.0129 0.0038 1792 ASP 120 CB -0.0006 0.0134 0.0061 1793 ASP 120 CG -0.0007 0.0149 0.0062 1794 ASP 120 OD1 -0.0004 0.0158 0.0053 1795 ASP 120 OD2 -0.0011 0.0151 0.0073 1796 ASP 120 H -0.0001 0.0111 0.0049 1797 ASP 120 HA -0.0000 0.0139 0.0045 1798 ASP 120 HB2 -0.0008 0.0134 0.0068 1799 ASP 120 HB3 -0.0006 0.0126 0.0063 1800 TYR 121 N -0.0016 0.0126 0.0029 1801 TYR 121 CA -0.0015 0.0121 0.0042 1802 TYR 121 C -0.0025 0.0110 0.0046 1803 TYR 121 O -0.0025 0.0105 0.0058 1804 TYR 121 CB -0.0011 0.0123 0.0044 1805 TYR 121 CG -0.0019 0.0120 0.0037 1806 TYR 121 CD1 -0.0020 0.0125 0.0024 1807 TYR 121 CD2 -0.0026 0.0111 0.0043 1808 TYR 121 CE1 -0.0027 0.0122 0.0018 1809 TYR 121 CE2 -0.0034 0.0108 0.0036 1810 TYR 121 CZ -0.0034 0.0113 0.0024 1811 TYR 121 OH -0.0042 0.0110 0.0018 1812 TYR 121 H -0.0016 0.0128 0.0024 1813 TYR 121 HA -0.0009 0.0123 0.0048 1814 TYR 121 HB2 -0.0009 0.0120 0.0053 1815 TYR 121 HB3 -0.0004 0.0130 0.0041 1816 TYR 121 HD1 -0.0015 0.0131 0.0020 1817 TYR 121 HD2 -0.0025 0.0107 0.0051 1818 TYR 121 HE1 -0.0028 0.0125 0.0010 1819 TYR 121 HE2 -0.0038 0.0102 0.0041 1820 TYR 121 HH -0.0046 0.0104 0.0023 1821 ALA 122 N 0.0005 0.0149 0.0032 1822 ALA 122 CA 0.0007 0.0157 0.0034 1823 ALA 122 C 0.0007 0.0156 0.0038 1824 ALA 122 O 0.0008 0.0162 0.0040 1825 ALA 122 CB 0.0008 0.0164 0.0039 1826 ALA 122 H 0.0005 0.0147 0.0037 1827 ALA 122 HA 0.0007 0.0160 0.0028 1828 ALA 122 HB1 0.0009 0.0170 0.0039 1829 ALA 122 HB2 0.0008 0.0164 0.0036 1830 ALA 122 HB3 0.0008 0.0162 0.0045 1831 ALA 123 N 0.0014 0.0136 0.0035 1832 ALA 123 CA 0.0003 0.0120 0.0042 1833 ALA 123 C 0.0002 0.0094 0.0027 1834 ALA 123 O -0.0010 0.0075 0.0035 1835 ALA 123 CB -0.0012 0.0118 0.0068 1836 ALA 123 H 0.0013 0.0129 0.0033 1837 ALA 123 HA 0.0007 0.0127 0.0040 1838 ALA 123 HB1 -0.0017 0.0116 0.0075 1839 ALA 123 HB2 -0.0011 0.0133 0.0076 1840 ALA 123 HB3 -0.0018 0.0104 0.0069 1841 ILE 124 N 0.0026 0.0017 -0.0008 1842 ILE 124 CA 0.0020 0.0003 -0.0023 1843 ILE 124 C 0.0019 -0.0014 -0.0043 1844 ILE 124 O 0.0034 -0.0015 -0.0050 1845 ILE 124 CB 0.0040 0.0006 -0.0027 1846 ILE 124 CG1 0.0041 0.0023 -0.0007 1847 ILE 124 CG2 0.0035 -0.0010 -0.0044 1848 ILE 124 CD1 0.0066 0.0031 -0.0007 1849 ILE 124 H 0.0042 0.0021 -0.0010 1850 ILE 124 HA 0.0004 0.0002 -0.0018 1851 ILE 124 HB 0.0057 0.0007 -0.0032 1852 ILE 124 HG12 0.0027 0.0020 -0.0005 1853 ILE 124 HG13 0.0038 0.0032 0.0004 1854 ILE 124 HG21 0.0045 -0.0007 -0.0044 1855 ILE 124 HG22 0.0040 -0.0020 -0.0057 1856 ILE 124 HG23 0.0017 -0.0014 -0.0041 1857 ILE 124 HD11 0.0064 0.0042 0.0006 1858 ILE 124 HD12 0.0080 0.0034 -0.0009 1859 ILE 124 HD13 0.0069 0.0023 -0.0018 1860 THR 125 N 0.0024 -0.0066 -0.0063 1861 THR 125 CA 0.0010 -0.0109 -0.0096 1862 THR 125 C 0.0028 -0.0141 -0.0124 1863 THR 125 O 0.0025 -0.0136 -0.0120 1864 THR 125 CB -0.0052 -0.0116 -0.0094 1865 THR 125 OG1 -0.0070 -0.0091 -0.0071 1866 THR 125 CG2 -0.0069 -0.0162 -0.0128 1867 THR 125 OXT 0.0047 -0.0173 -0.0152 1868 THR 125 H 0.0007 -0.0059 -0.0056 1869 THR 125 HA 0.0027 -0.0114 -0.0102 1870 THR 125 HB -0.0068 -0.0108 -0.0085 1871 THR 125 HG1 -0.0050 -0.0068 -0.0055 1872 THR 125 HG21 -0.0104 -0.0165 -0.0126 1873 THR 125 HG22 -0.0070 -0.0178 -0.0141 1874 THR 125 HG23 -0.0043 -0.0175 -0.0142