1 ALA 8 N -0.0483 -0.0017 0.0053 2 ALA 8 CA -0.0661 -0.0092 -0.0077 3 ALA 8 C -0.0607 -0.0060 -0.0181 4 ALA 8 O -0.0735 -0.0110 -0.0333 5 ALA 8 CB -0.0875 -0.0204 0.0082 6 ALA 8 HA -0.0692 -0.0097 -0.0220 7 ALA 8 HB1 -0.0991 -0.0252 -0.0008 8 ALA 8 HB2 -0.0919 -0.0227 0.0118 9 ALA 8 HB3 -0.0841 -0.0198 0.0232 10 ASP 9 N -0.0219 -0.0006 -0.0015 11 ASP 9 CA -0.0171 0.0044 -0.0060 12 ASP 9 C -0.0075 0.0086 -0.0051 13 ASP 9 O -0.0016 0.0079 0.0012 14 ASP 9 CB -0.0175 0.0025 -0.0031 15 ASP 9 CG -0.0146 0.0076 -0.0094 16 ASP 9 OD1 -0.0159 0.0114 -0.0171 17 ASP 9 OD2 -0.0111 0.0077 -0.0066 18 ASP 9 H -0.0186 -0.0014 0.0028 19 ASP 9 HA -0.0201 0.0064 -0.0120 20 ASP 9 HB2 -0.0235 -0.0007 -0.0028 21 ASP 9 HB3 -0.0135 0.0013 0.0025 22 PHE 10 N -0.0063 0.0048 -0.0052 23 PHE 10 CA -0.0005 0.0055 -0.0054 24 PHE 10 C 0.0014 0.0061 -0.0094 25 PHE 10 O -0.0008 0.0062 -0.0139 26 PHE 10 CB 0.0016 0.0059 -0.0074 27 PHE 10 CG 0.0022 0.0056 -0.0030 28 PHE 10 CD1 0.0063 0.0058 0.0007 29 PHE 10 CD2 -0.0014 0.0052 -0.0028 30 PHE 10 CE1 0.0070 0.0055 0.0047 31 PHE 10 CE2 -0.0007 0.0049 0.0012 32 PHE 10 CZ 0.0034 0.0051 0.0049 33 PHE 10 H -0.0078 0.0049 -0.0073 34 PHE 10 HA 0.0010 0.0054 -0.0019 35 PHE 10 HB2 -0.0009 0.0059 -0.0101 36 PHE 10 HB3 0.0052 0.0065 -0.0090 37 PHE 10 HD1 0.0088 0.0061 0.0006 38 PHE 10 HD2 -0.0042 0.0051 -0.0053 39 PHE 10 HE1 0.0098 0.0056 0.0072 40 PHE 10 HE2 -0.0032 0.0047 0.0014 41 PHE 10 HZ 0.0038 0.0049 0.0076 42 ILE 11 N 0.0082 0.0036 -0.0020 43 ILE 11 CA 0.0097 0.0044 -0.0029 44 ILE 11 C 0.0102 0.0039 -0.0028 45 ILE 11 O 0.0104 0.0024 -0.0023 46 ILE 11 CB 0.0111 0.0038 -0.0032 47 ILE 11 CG1 0.0107 0.0043 -0.0032 48 ILE 11 CG2 0.0127 0.0046 -0.0041 49 ILE 11 CD1 0.0103 0.0061 -0.0038 50 ILE 11 H 0.0084 0.0026 -0.0016 51 ILE 11 HA 0.0094 0.0056 -0.0032 52 ILE 11 HB 0.0114 0.0026 -0.0028 53 ILE 11 HG12 0.0097 0.0038 -0.0026 54 ILE 11 HG13 0.0116 0.0039 -0.0034 55 ILE 11 HG21 0.0135 0.0045 -0.0044 56 ILE 11 HG22 0.0132 0.0040 -0.0040 57 ILE 11 HG23 0.0124 0.0057 -0.0045 58 ILE 11 HD11 0.0100 0.0063 -0.0038 59 ILE 11 HD12 0.0112 0.0066 -0.0044 60 ILE 11 HD13 0.0093 0.0066 -0.0036 61 GLY 12 N 0.0075 0.0024 -0.0031 62 GLY 12 CA 0.0077 0.0022 -0.0031 63 GLY 12 C 0.0067 0.0025 -0.0031 64 GLY 12 O 0.0058 0.0021 -0.0031 65 GLY 12 H 0.0074 0.0018 -0.0032 66 GLY 12 HA2 0.0083 0.0027 -0.0031 67 GLY 12 HA3 0.0079 0.0015 -0.0032 68 ILE 13 N 0.0032 -0.0026 -0.0009 69 ILE 13 CA 0.0032 -0.0028 -0.0012 70 ILE 13 C 0.0038 -0.0036 -0.0014 71 ILE 13 O 0.0039 -0.0038 -0.0017 72 ILE 13 CB 0.0031 -0.0024 -0.0007 73 ILE 13 CG1 0.0036 -0.0025 0.0002 74 ILE 13 CG2 0.0024 -0.0017 -0.0006 75 ILE 13 CD1 0.0036 -0.0022 0.0007 76 ILE 13 H 0.0035 -0.0027 -0.0004 77 ILE 13 HA 0.0028 -0.0028 -0.0018 78 ILE 13 HB 0.0031 -0.0026 -0.0009 79 ILE 13 HG12 0.0036 -0.0022 0.0005 80 ILE 13 HG13 0.0041 -0.0029 0.0001 81 ILE 13 HG21 0.0023 -0.0014 -0.0003 82 ILE 13 HG22 0.0020 -0.0016 -0.0012 83 ILE 13 HG23 0.0023 -0.0015 -0.0003 84 ILE 13 HD11 0.0040 -0.0023 0.0012 85 ILE 13 HD12 0.0036 -0.0024 0.0004 86 ILE 13 HD13 0.0032 -0.0017 0.0008 87 GLY 14 N 0.0006 0.0042 -0.0096 88 GLY 14 CA 0.0024 0.0041 -0.0102 89 GLY 14 C 0.0043 0.0042 -0.0106 90 GLY 14 O 0.0043 0.0044 -0.0102 91 GLY 14 H 0.0005 0.0039 -0.0101 92 GLY 14 HA2 0.0021 0.0034 -0.0114 93 GLY 14 HA3 0.0027 0.0047 -0.0094 94 LYS 15 N 0.0025 0.0093 -0.0187 95 LYS 15 CA 0.0037 0.0090 -0.0181 96 LYS 15 C 0.0103 0.0033 -0.0059 97 LYS 15 O 0.0191 0.0005 -0.0009 98 LYS 15 CB 0.0126 0.0130 -0.0291 99 LYS 15 CG 0.0064 0.0190 -0.0420 100 LYS 15 CD 0.0164 0.0228 -0.0524 101 LYS 15 CE 0.0222 0.0213 -0.0499 102 LYS 15 NZ 0.0320 0.0250 -0.0602 103 LYS 15 H 0.0092 0.0106 -0.0228 104 LYS 15 HA -0.0054 0.0098 -0.0185 105 LYS 15 HB2 0.0212 0.0125 -0.0293 106 LYS 15 HB3 0.0143 0.0123 -0.0278 107 LYS 15 HG2 -0.0018 0.0197 -0.0423 108 LYS 15 HG3 0.0043 0.0198 -0.0435 109 LYS 15 HD2 0.0116 0.0265 -0.0603 110 LYS 15 HD3 0.0240 0.0225 -0.0531 111 LYS 15 HE2 0.0270 0.0176 -0.0421 112 LYS 15 HE3 0.0147 0.0216 -0.0495 113 LYS 15 HZ1 0.0386 0.0249 -0.0612 114 LYS 15 HZ2 0.0357 0.0239 -0.0582 115 LYS 15 HZ3 0.0276 0.0284 -0.0674 116 LEU 16 N 0.0060 0.0013 -0.0076 117 LEU 16 CA 0.0062 -0.0031 -0.0056 118 LEU 16 C 0.0087 -0.0070 -0.0073 119 LEU 16 O 0.0102 -0.0102 -0.0077 120 LEU 16 CB 0.0033 -0.0037 -0.0011 121 LEU 16 CG 0.0032 -0.0082 0.0016 122 LEU 16 CD1 0.0030 -0.0084 0.0021 123 LEU 16 CD2 0.0006 -0.0087 0.0057 124 LEU 16 H 0.0044 0.0029 -0.0062 125 LEU 16 HA 0.0064 -0.0031 -0.0059 126 LEU 16 HB2 0.0018 -0.0013 -0.0000 127 LEU 16 HB3 0.0030 -0.0034 -0.0007 128 LEU 16 HG 0.0050 -0.0107 0.0003 129 LEU 16 HD11 0.0029 -0.0114 0.0037 130 LEU 16 HD12 0.0046 -0.0081 -0.0006 131 LEU 16 HD13 0.0012 -0.0060 0.0034 132 LEU 16 HD21 0.0007 -0.0117 0.0072 133 LEU 16 HD22 -0.0011 -0.0064 0.0070 134 LEU 16 HD23 0.0007 -0.0084 0.0053 135 ASP 17 N 0.0090 -0.0078 -0.0146 136 ASP 17 CA 0.0169 -0.0154 -0.0178 137 ASP 17 C 0.0143 -0.0158 -0.0266 138 ASP 17 O 0.0203 -0.0217 -0.0293 139 ASP 17 CB 0.0237 -0.0221 -0.0214 140 ASP 17 CG 0.0192 -0.0205 -0.0285 141 ASP 17 OD1 0.0134 -0.0146 -0.0249 142 ASP 17 OD2 0.0217 -0.0254 -0.0376 143 ASP 17 H 0.0077 -0.0077 -0.0177 144 ASP 17 HA 0.0204 -0.0161 -0.0110 145 ASP 17 HB2 0.0276 -0.0266 -0.0259 146 ASP 17 HB3 0.0275 -0.0231 -0.0146 147 ASP 18 N 0.0088 -0.0075 -0.0156 148 ASP 18 CA 0.0104 -0.0077 -0.0181 149 ASP 18 C 0.0115 -0.0098 -0.0147 150 ASP 18 O 0.0134 -0.0105 -0.0164 151 ASP 18 CB 0.0072 -0.0044 -0.0205 152 ASP 18 CG 0.0061 -0.0021 -0.0245 153 ASP 18 OD1 0.0085 -0.0032 -0.0264 154 ASP 18 OD2 0.0027 0.0008 -0.0257 155 ASP 18 H 0.0062 -0.0057 -0.0154 156 ASP 18 HA 0.0128 -0.0085 -0.0204 157 ASP 18 HB2 0.0047 -0.0035 -0.0182 158 ASP 18 HB3 0.0083 -0.0047 -0.0219 159 PHE 19 N 0.0007 -0.0108 0.0003 160 PHE 19 CA 0.0003 -0.0092 0.0004 161 PHE 19 C 0.0011 -0.0093 0.0009 162 PHE 19 O 0.0025 -0.0097 0.0015 163 PHE 19 CB 0.0007 -0.0078 0.0010 164 PHE 19 CG -0.0002 -0.0075 0.0005 165 PHE 19 CD1 -0.0017 -0.0067 -0.0001 166 PHE 19 CD2 0.0003 -0.0081 0.0007 167 PHE 19 CE1 -0.0026 -0.0065 -0.0005 168 PHE 19 CE2 -0.0006 -0.0079 0.0002 169 PHE 19 CZ -0.0020 -0.0071 -0.0004 170 PHE 19 H 0.0016 -0.0110 0.0007 171 PHE 19 HA -0.0008 -0.0091 -0.0001 172 PHE 19 HB2 0.0018 -0.0080 0.0015 173 PHE 19 HB3 0.0006 -0.0067 0.0011 174 PHE 19 HD1 -0.0021 -0.0063 -0.0002 175 PHE 19 HD2 0.0013 -0.0087 0.0010 176 PHE 19 HE1 -0.0036 -0.0060 -0.0009 177 PHE 19 HE2 -0.0002 -0.0083 0.0004 178 PHE 19 HZ -0.0026 -0.0070 -0.0007 179 PRO 20 N -0.0144 -0.0036 0.0037 180 PRO 20 CA -0.0149 0.0001 0.0020 181 PRO 20 C -0.0124 0.0038 -0.0012 182 PRO 20 O -0.0121 0.0050 -0.0019 183 PRO 20 CB -0.0202 0.0020 0.0037 184 PRO 20 CG -0.0223 -0.0016 0.0067 185 PRO 20 CD -0.0189 -0.0039 0.0061 186 PRO 20 HA -0.0138 -0.0012 0.0021 187 PRO 20 HB2 -0.0210 0.0049 0.0027 188 PRO 20 HB3 -0.0211 0.0026 0.0039 189 PRO 20 HG2 -0.0253 -0.0003 0.0075 190 PRO 20 HG3 -0.0226 -0.0039 0.0080 191 PRO 20 HD2 -0.0195 -0.0021 0.0055 192 PRO 20 HD3 -0.0192 -0.0070 0.0078 193 VAL 21 N -0.0130 -0.0008 0.0006 194 VAL 21 CA -0.0112 0.0019 0.0001 195 VAL 21 C -0.0132 0.0045 0.0000 196 VAL 21 O -0.0150 0.0049 0.0002 197 VAL 21 CB -0.0088 0.0020 -0.0002 198 VAL 21 CG1 -0.0075 0.0049 -0.0007 199 VAL 21 CG2 -0.0066 -0.0004 -0.0002 200 VAL 21 H -0.0125 -0.0018 0.0007 201 VAL 21 HA -0.0103 0.0018 -0.0000 202 VAL 21 HB -0.0097 0.0016 -0.0001 203 VAL 21 HG11 -0.0057 0.0048 -0.0009 204 VAL 21 HG12 -0.0088 0.0063 -0.0007 205 VAL 21 HG13 -0.0072 0.0056 -0.0008 206 VAL 21 HG21 -0.0051 -0.0003 -0.0004 207 VAL 21 HG22 -0.0058 -0.0001 -0.0003 208 VAL 21 HG23 -0.0076 -0.0023 0.0001 209 GLY 22 N -0.0176 0.0059 -0.0013 210 GLY 22 CA -0.0198 0.0097 -0.0021 211 GLY 22 C -0.0235 0.0092 0.0010 212 GLY 22 O -0.0257 0.0124 0.0006 213 GLY 22 H -0.0152 0.0042 -0.0020 214 GLY 22 HA2 -0.0177 0.0102 -0.0039 215 GLY 22 HA3 -0.0209 0.0123 -0.0029 216 ILE 23 N -0.0287 0.0133 -0.0029 217 ILE 23 CA -0.0298 0.0127 0.0035 218 ILE 23 C -0.0215 0.0068 0.0069 219 ILE 23 O -0.0184 0.0038 0.0125 220 ILE 23 CB -0.0363 0.0150 0.0120 221 ILE 23 CG1 -0.0445 0.0208 0.0081 222 ILE 23 CG2 -0.0370 0.0141 0.0189 223 ILE 23 CD1 -0.0518 0.0239 0.0155 224 ILE 23 H -0.0269 0.0116 -0.0002 225 ILE 23 HA -0.0317 0.0145 -0.0000 226 ILE 23 HB -0.0346 0.0132 0.0156 227 ILE 23 HG12 -0.0456 0.0225 0.0033 228 ILE 23 HG13 -0.0440 0.0211 0.0052 229 ILE 23 HG21 -0.0413 0.0156 0.0241 230 ILE 23 HG22 -0.0317 0.0103 0.0214 231 ILE 23 HG23 -0.0386 0.0157 0.0155 232 ILE 23 HD11 -0.0565 0.0273 0.0128 233 ILE 23 HD12 -0.0504 0.0219 0.0210 234 ILE 23 HD13 -0.0532 0.0243 0.0175 235 PRO 24 N -0.0186 0.0035 0.0052 236 PRO 24 CA -0.0175 0.0031 0.0055 237 PRO 24 C -0.0171 0.0035 0.0065 238 PRO 24 O -0.0173 0.0038 0.0069 239 PRO 24 CB -0.0170 0.0025 0.0049 240 PRO 24 CG -0.0178 0.0024 0.0040 241 PRO 24 CD -0.0187 0.0031 0.0044 242 PRO 24 HA -0.0175 0.0030 0.0053 243 PRO 24 HB2 -0.0167 0.0025 0.0052 244 PRO 24 HB3 -0.0165 0.0021 0.0047 245 PRO 24 HG2 -0.0176 0.0021 0.0037 246 PRO 24 HG3 -0.0179 0.0022 0.0035 247 PRO 24 HD2 -0.0187 0.0033 0.0046 248 PRO 24 HD3 -0.0192 0.0032 0.0039 249 LYS 25 N -0.0186 0.0057 0.0013 250 LYS 25 CA -0.0207 0.0009 0.0091 251 LYS 25 C -0.0149 -0.0034 0.0101 252 LYS 25 O -0.0078 -0.0049 0.0067 253 LYS 25 CB -0.0201 -0.0031 0.0136 254 LYS 25 CG -0.0266 0.0002 0.0143 255 LYS 25 CD -0.0349 0.0021 0.0182 256 LYS 25 CE -0.0418 0.0071 0.0169 257 LYS 25 NZ -0.0474 0.0050 0.0238 258 LYS 25 H -0.0136 0.0044 -0.0007 259 LYS 25 HA -0.0261 0.0027 0.0107 260 LYS 25 HB2 -0.0150 -0.0043 0.0113 261 LYS 25 HB3 -0.0204 -0.0067 0.0185 262 LYS 25 HG2 -0.0265 0.0040 0.0095 263 LYS 25 HG3 -0.0258 -0.0025 0.0171 264 LYS 25 HD2 -0.0357 -0.0016 0.0234 265 LYS 25 HD3 -0.0352 0.0036 0.0164 266 LYS 25 HE2 -0.0448 0.0106 0.0147 267 LYS 25 HE3 -0.0396 0.0083 0.0137 268 LYS 25 HZ1 -0.0513 0.0080 0.0229 269 LYS 25 HZ2 -0.0448 0.0018 0.0260 270 LYS 25 HZ3 -0.0496 0.0039 0.0269 271 LYS 26 N -0.0183 -0.0004 0.0042 272 LYS 26 CA -0.0165 0.0009 0.0038 273 LYS 26 C -0.0158 0.0011 0.0058 274 LYS 26 O -0.0168 0.0003 0.0065 275 LYS 26 CB -0.0168 0.0010 0.0016 276 LYS 26 CG -0.0151 0.0024 0.0005 277 LYS 26 CD -0.0155 0.0024 -0.0020 278 LYS 26 CE -0.0174 0.0013 -0.0027 279 LYS 26 NZ -0.0172 0.0017 -0.0048 280 LYS 26 H -0.0192 -0.0010 0.0039 281 LYS 26 HA -0.0155 0.0016 0.0036 282 LYS 26 HB2 -0.0175 0.0007 0.0004 283 LYS 26 HB3 -0.0175 0.0005 0.0019 284 LYS 26 HG2 -0.0147 0.0025 0.0012 285 LYS 26 HG3 -0.0141 0.0030 0.0007 286 LYS 26 HD2 -0.0145 0.0032 -0.0026 287 LYS 26 HD3 -0.0156 0.0025 -0.0028 288 LYS 26 HE2 -0.0184 0.0006 -0.0031 289 LYS 26 HE3 -0.0177 0.0009 -0.0015 290 LYS 26 HZ1 -0.0164 0.0024 -0.0057 291 LYS 26 HZ2 -0.0183 0.0011 -0.0056 292 LYS 26 HZ3 -0.0168 0.0020 -0.0044 293 VAL 27 N -0.0140 -0.0015 0.0003 294 VAL 27 CA -0.0132 -0.0042 0.0019 295 VAL 27 C -0.0119 -0.0037 0.0017 296 VAL 27 O -0.0106 -0.0014 0.0004 297 VAL 27 CB -0.0106 -0.0058 0.0030 298 VAL 27 CG1 -0.0120 -0.0064 0.0033 299 VAL 27 CG2 -0.0074 -0.0041 0.0022 300 VAL 27 H -0.0125 -0.0001 -0.0004 301 VAL 27 HA -0.0152 -0.0054 0.0024 302 VAL 27 HB -0.0102 -0.0077 0.0041 303 VAL 27 HG11 -0.0104 -0.0076 0.0040 304 VAL 27 HG12 -0.0141 -0.0075 0.0037 305 VAL 27 HG13 -0.0123 -0.0046 0.0022 306 VAL 27 HG21 -0.0060 -0.0050 0.0028 307 VAL 27 HG22 -0.0078 -0.0021 0.0010 308 VAL 27 HG23 -0.0063 -0.0041 0.0023 309 ALA 28 N -0.0137 -0.0048 -0.0046 310 ALA 28 CA -0.0131 -0.0026 -0.0049 311 ALA 28 C -0.0078 -0.0017 -0.0025 312 ALA 28 O -0.0047 -0.0046 -0.0004 313 ALA 28 CB -0.0156 -0.0065 -0.0051 314 ALA 28 H -0.0147 -0.0081 -0.0043 315 ALA 28 HA -0.0146 0.0007 -0.0063 316 ALA 28 HB1 -0.0153 -0.0051 -0.0053 317 ALA 28 HB2 -0.0191 -0.0071 -0.0066 318 ALA 28 HB3 -0.0141 -0.0098 -0.0036 319 VAL 29 N -0.0006 -0.0025 -0.0015 320 VAL 29 CA 0.0018 -0.0016 0.0002 321 VAL 29 C 0.0022 -0.0008 -0.0000 322 VAL 29 O 0.0016 0.0011 -0.0017 323 VAL 29 CB 0.0032 0.0008 -0.0001 324 VAL 29 CG1 0.0058 0.0016 0.0019 325 VAL 29 CG2 0.0026 0.0001 -0.0001 326 VAL 29 H -0.0012 -0.0013 -0.0028 327 VAL 29 HA 0.0024 -0.0030 0.0016 328 VAL 29 HB 0.0027 0.0023 -0.0014 329 VAL 29 HG11 0.0066 0.0029 0.0018 330 VAL 29 HG12 0.0061 0.0023 0.0017 331 VAL 29 HG13 0.0062 0.0000 0.0032 332 VAL 29 HG21 0.0036 0.0016 -0.0001 333 VAL 29 HG22 0.0029 -0.0015 0.0011 334 VAL 29 HG23 0.0010 -0.0002 -0.0014 335 THR 30 N 0.0071 0.0049 -0.0055 336 THR 30 CA 0.0065 0.0032 -0.0048 337 THR 30 C 0.0104 0.0024 -0.0038 338 THR 30 O 0.0122 0.0002 -0.0025 339 THR 30 CB 0.0040 -0.0001 -0.0037 340 THR 30 OG1 0.0055 -0.0022 -0.0025 341 THR 30 CG2 0.0000 0.0008 -0.0048 342 THR 30 H 0.0085 0.0038 -0.0048 343 THR 30 HA 0.0054 0.0047 -0.0057 344 THR 30 HB 0.0038 -0.0014 -0.0032 345 THR 30 HG1 0.0075 -0.0030 -0.0018 346 THR 30 HG21 -0.0017 -0.0013 -0.0041 347 THR 30 HG22 -0.0009 0.0024 -0.0057 348 THR 30 HG23 0.0001 0.0018 -0.0052 349 SER 31 N 0.0304 0.0000 0.0022 350 SER 31 CA 0.0252 0.0007 0.0004 351 SER 31 C 0.0249 0.0035 -0.0034 352 SER 31 O 0.0275 0.0038 -0.0034 353 SER 31 CB 0.0215 -0.0021 0.0034 354 SER 31 OG 0.0165 -0.0013 0.0014 355 SER 31 H 0.0309 -0.0015 0.0043 356 SER 31 HA 0.0241 0.0012 -0.0005 357 SER 31 HB2 0.0214 -0.0038 0.0056 358 SER 31 HB3 0.0226 -0.0028 0.0045 359 SER 31 HG 0.0145 -0.0029 0.0032 360 SER 32 N 0.0299 0.0092 -0.0136 361 SER 32 CA 0.0252 0.0141 -0.0259 362 SER 32 C 0.0100 -0.0014 -0.0188 363 SER 32 O 0.0090 0.0009 -0.0234 364 SER 32 CB 0.0158 0.0236 -0.0501 365 SER 32 OG -0.0014 0.0143 -0.0544 366 SER 32 H 0.0240 0.0099 -0.0208 367 SER 32 HA 0.0384 0.0218 -0.0235 368 SER 32 HB2 0.0107 0.0252 -0.0579 369 SER 32 HB3 0.0269 0.0347 -0.0551 370 SER 32 HG -0.0057 0.0201 -0.0677 371 LYS 33 N 0.0159 0.0035 -0.0166 372 LYS 33 CA 0.0062 0.0002 -0.0148 373 LYS 33 C 0.0104 -0.0013 -0.0107 374 LYS 33 O 0.0194 -0.0027 -0.0050 375 LYS 33 CB -0.0009 -0.0059 -0.0074 376 LYS 33 CG -0.0080 -0.0047 -0.0121 377 LYS 33 CD -0.0116 -0.0103 -0.0041 378 LYS 33 CE -0.0203 -0.0095 -0.0087 379 LYS 33 NZ -0.0200 -0.0129 -0.0028 380 LYS 33 H 0.0171 0.0012 -0.0123 381 LYS 33 HA 0.0013 0.0028 -0.0211 382 LYS 33 HB2 0.0042 -0.0081 -0.0017 383 LYS 33 HB3 -0.0063 -0.0085 -0.0051 384 LYS 33 HG2 -0.0149 -0.0039 -0.0160 385 LYS 33 HG3 -0.0033 -0.0011 -0.0164 386 LYS 33 HD2 -0.0049 -0.0106 -0.0009 387 LYS 33 HD3 -0.0152 -0.0141 0.0010 388 LYS 33 HE2 -0.0280 -0.0111 -0.0090 389 LYS 33 HE3 -0.0186 -0.0050 -0.0155 390 LYS 33 HZ1 -0.0251 -0.0123 -0.0058 391 LYS 33 HZ2 -0.0130 -0.0116 -0.0024 392 LYS 33 HZ3 -0.0217 -0.0170 0.0034 393 MET 34 N 0.0071 -0.0224 -0.0103 394 MET 34 CA -0.0016 -0.0232 -0.0078 395 MET 34 C -0.0067 -0.0210 -0.0050 396 MET 34 O -0.0142 -0.0225 -0.0033 397 MET 34 CB -0.0046 -0.0314 -0.0108 398 MET 34 CG -0.0010 -0.0338 -0.0131 399 MET 34 SD -0.0067 -0.0315 -0.0101 400 MET 34 CE -0.0028 -0.0216 -0.0066 401 MET 34 H 0.0083 -0.0253 -0.0121 402 MET 34 HA -0.0023 -0.0197 -0.0059 403 MET 34 HB2 -0.0031 -0.0349 -0.0129 404 MET 34 HB3 -0.0104 -0.0320 -0.0091 405 MET 34 HG2 0.0045 -0.0310 -0.0136 406 MET 34 HG3 -0.0008 -0.0393 -0.0158 407 MET 34 HE1 -0.0038 -0.0202 -0.0056 408 MET 34 HE2 -0.0055 -0.0184 -0.0042 409 MET 34 HE3 0.0030 -0.0208 -0.0082 410 ASP 35 N 0.0013 -0.0088 -0.0030 411 ASP 35 CA -0.0031 0.0001 -0.0019 412 ASP 35 C -0.0040 0.0007 -0.0031 413 ASP 35 O -0.0004 -0.0053 -0.0024 414 ASP 35 CB -0.0011 0.0052 0.0070 415 ASP 35 CG 0.0046 0.0019 0.0141 416 ASP 35 OD1 0.0092 -0.0050 0.0155 417 ASP 35 OD2 0.0045 0.0059 0.0179 418 ASP 35 H 0.0047 -0.0103 0.0017 419 ASP 35 HA -0.0068 0.0026 -0.0062 420 ASP 35 HB2 -0.0041 0.0111 0.0076 421 ASP 35 HB3 -0.0005 0.0047 0.0076 422 ALA 36 N -0.0091 0.0296 -0.0053 423 ALA 36 CA -0.0187 0.0340 -0.0202 424 ALA 36 C 0.0002 0.0236 0.0077 425 ALA 36 O 0.0039 0.0016 -0.0059 426 ALA 36 CB -0.0426 0.0770 -0.0271 427 ALA 36 H -0.0183 0.0510 -0.0031 428 ALA 36 HA -0.0224 0.0154 -0.0452 429 ALA 36 HB1 -0.0489 0.0799 -0.0369 430 ALA 36 HB2 -0.0547 0.0819 -0.0465 431 ALA 36 HB3 -0.0390 0.0956 -0.0021 432 TRP 37 N 0.0045 0.0176 0.0105 433 TRP 37 CA 0.0055 0.0144 0.0138 434 TRP 37 C 0.0059 0.0044 0.0152 435 TRP 37 O 0.0052 -0.0004 0.0130 436 TRP 37 CB 0.0079 0.0189 0.0223 437 TRP 37 CG 0.0090 0.0158 0.0260 438 TRP 37 CD1 0.0086 0.0196 0.0245 439 TRP 37 CD2 0.0107 0.0084 0.0318 440 TRP 37 NE1 0.0099 0.0151 0.0289 441 TRP 37 CE2 0.0111 0.0083 0.0334 442 TRP 37 CE3 0.0118 0.0020 0.0357 443 TRP 37 CZ2 0.0127 0.0019 0.0387 444 TRP 37 CZ3 0.0133 -0.0043 0.0410 445 TRP 37 CH2 0.0138 -0.0043 0.0425 446 TRP 37 H 0.0054 0.0216 0.0137 447 TRP 37 HA 0.0042 0.0159 0.0096 448 TRP 37 HB2 0.0077 0.0253 0.0215 449 TRP 37 HB3 0.0091 0.0174 0.0264 450 TRP 37 HD1 0.0076 0.0245 0.0210 451 TRP 37 HE1 0.0098 0.0164 0.0288 452 TRP 37 HE3 0.0115 0.0020 0.0347 453 TRP 37 HZ2 0.0130 0.0019 0.0397 454 TRP 37 HZ3 0.0141 -0.0087 0.0436 455 TRP 37 HH2 0.0148 -0.0086 0.0461 456 ASN 38 N 0.0094 -0.0097 0.0221 457 ASN 38 CA 0.0139 -0.0130 0.0211 458 ASN 38 C 0.0167 -0.0149 0.0167 459 ASN 38 O 0.0208 -0.0180 0.0172 460 ASN 38 CB 0.0136 -0.0126 0.0194 461 ASN 38 CG 0.0135 -0.0130 0.0245 462 ASN 38 OD1 0.0169 -0.0158 0.0273 463 ASN 38 ND2 0.0097 -0.0101 0.0257 464 ASN 38 H 0.0072 -0.0079 0.0209 465 ASN 38 HA 0.0154 -0.0144 0.0246 466 ASN 38 HB2 0.0108 -0.0104 0.0175 467 ASN 38 HB3 0.0161 -0.0144 0.0170 468 ASN 38 HD21 0.0095 -0.0102 0.0286 469 ASN 38 HD22 0.0074 -0.0083 0.0236 470 ILE 39 N 0.0119 -0.0141 0.0116 471 ILE 39 CA 0.0101 -0.0195 0.0023 472 ILE 39 C 0.0107 -0.0141 0.0105 473 ILE 39 O 0.0176 -0.0195 0.0090 474 ILE 39 CB -0.0039 -0.0191 -0.0097 475 ILE 39 CG1 -0.0039 -0.0254 -0.0186 476 ILE 39 CG2 -0.0057 -0.0240 -0.0183 477 ILE 39 CD1 -0.0186 -0.0234 -0.0290 478 ILE 39 H 0.0048 -0.0109 0.0098 479 ILE 39 HA 0.0178 -0.0272 -0.0018 480 ILE 39 HB -0.0118 -0.0115 -0.0060 481 ILE 39 HG12 0.0028 -0.0332 -0.0238 482 ILE 39 HG13 -0.0010 -0.0230 -0.0126 483 ILE 39 HG21 -0.0135 -0.0251 -0.0268 484 ILE 39 HG22 -0.0078 -0.0190 -0.0130 485 ILE 39 HG23 0.0031 -0.0310 -0.0204 486 ILE 39 HD11 -0.0182 -0.0269 -0.0336 487 ILE 39 HD12 -0.0256 -0.0155 -0.0240 488 ILE 39 HD13 -0.0212 -0.0265 -0.0357 489 PHE 40 N 0.0237 -0.0025 0.0198 490 PHE 40 CA 0.0236 -0.0084 0.0086 491 PHE 40 C 0.0104 -0.0113 0.0028 492 PHE 40 O 0.0049 -0.0134 -0.0013 493 PHE 40 CB 0.0341 -0.0123 0.0017 494 PHE 40 CG 0.0345 -0.0186 -0.0102 495 PHE 40 CD1 0.0418 -0.0203 -0.0131 496 PHE 40 CD2 0.0278 -0.0229 -0.0185 497 PHE 40 CE1 0.0422 -0.0261 -0.0242 498 PHE 40 CE2 0.0283 -0.0287 -0.0294 499 PHE 40 CZ 0.0359 -0.0303 -0.0322 500 PHE 40 H 0.0292 -0.0024 0.0203 501 PHE 40 HA 0.0254 -0.0081 0.0093 502 PHE 40 HB2 0.0425 -0.0106 0.0052 503 PHE 40 HB3 0.0324 -0.0122 0.0018 504 PHE 40 HD1 0.0464 -0.0174 -0.0075 505 PHE 40 HD2 0.0230 -0.0218 -0.0165 506 PHE 40 HE1 0.0469 -0.0273 -0.0262 507 PHE 40 HE2 0.0236 -0.0316 -0.0351 508 PHE 40 HZ 0.0367 -0.0344 -0.0398 509 GLU 41 N 0.0125 -0.0076 0.0040 510 GLU 41 CA 0.0089 -0.0086 0.0025 511 GLU 41 C 0.0020 -0.0127 0.0055 512 GLU 41 O -0.0029 -0.0137 0.0027 513 GLU 41 CB 0.0136 -0.0077 0.0053 514 GLU 41 CG 0.0133 -0.0058 0.0003 515 GLU 41 CD 0.0162 -0.0018 -0.0065 516 GLU 41 OE1 0.0194 -0.0003 -0.0070 517 GLU 41 OE2 0.0154 -0.0003 -0.0113 518 GLU 41 H 0.0165 -0.0069 0.0066 519 GLU 41 HA 0.0077 -0.0071 -0.0026 520 GLU 41 HB2 0.0183 -0.0059 0.0062 521 GLU 41 HB3 0.0121 -0.0100 0.0097 522 GLU 41 HG2 0.0161 -0.0055 0.0027 523 GLU 41 HG3 0.0086 -0.0073 -0.0009 524 GLY 42 N 0.0064 -0.0112 0.0047 525 GLY 42 CA -0.0023 -0.0117 0.0095 526 GLY 42 C -0.0129 -0.0081 0.0103 527 GLY 42 O -0.0207 -0.0055 0.0110 528 GLY 42 H 0.0105 -0.0154 0.0076 529 GLY 42 HA2 -0.0024 -0.0093 0.0067 530 GLY 42 HA3 -0.0014 -0.0170 0.0152 531 LEU 43 N -0.0253 -0.0010 0.0165 532 LEU 43 CA -0.0283 -0.0004 0.0154 533 LEU 43 C -0.0359 -0.0043 -0.0067 534 LEU 43 O -0.0458 -0.0019 -0.0085 535 LEU 43 CB -0.0072 -0.0045 0.0223 536 LEU 43 CG 0.0011 -0.0006 0.0454 537 LEU 43 CD1 0.0244 -0.0064 0.0483 538 LEU 43 CD2 -0.0116 0.0071 0.0602 539 LEU 43 H -0.0123 -0.0047 0.0162 540 LEU 43 HA -0.0389 0.0052 0.0251 541 LEU 43 HB2 0.0035 -0.0100 0.0133 542 LEU 43 HB3 -0.0091 -0.0045 0.0203 543 LEU 43 HG -0.0004 0.0009 0.0491 544 LEU 43 HD11 0.0293 -0.0038 0.0631 545 LEU 43 HD12 0.0323 -0.0111 0.0393 546 LEU 43 HD13 0.0262 -0.0080 0.0443 547 LEU 43 HD21 -0.0060 0.0095 0.0748 548 LEU 43 HD22 -0.0103 0.0056 0.0562 549 LEU 43 HD23 -0.0264 0.0109 0.0586 550 VAL 44 N -0.0245 -0.0088 -0.0153 551 VAL 44 CA -0.0271 -0.0013 -0.0249 552 VAL 44 C -0.0276 -0.0010 -0.0253 553 VAL 44 O -0.0354 0.0020 -0.0304 554 VAL 44 CB -0.0182 0.0054 -0.0314 555 VAL 44 CG1 -0.0055 0.0037 -0.0270 556 VAL 44 CG2 -0.0198 0.0129 -0.0409 557 VAL 44 H -0.0171 -0.0094 -0.0132 558 VAL 44 HA -0.0350 -0.0006 -0.0271 559 VAL 44 HB -0.0198 0.0059 -0.0323 560 VAL 44 HG11 -0.0003 0.0085 -0.0319 561 VAL 44 HG12 -0.0031 0.0014 -0.0239 562 VAL 44 HG13 -0.0051 0.0001 -0.0226 563 VAL 44 HG21 -0.0160 0.0172 -0.0454 564 VAL 44 HG22 -0.0161 0.0130 -0.0404 565 VAL 44 HG23 -0.0283 0.0133 -0.0428 566 VAL 44 N -0.0243 -0.0088 -0.0151 567 VAL 44 CA -0.0266 -0.0013 -0.0248 568 VAL 44 C -0.0265 -0.0004 -0.0258 569 VAL 44 O -0.0329 0.0039 -0.0323 570 VAL 44 CB -0.0180 0.0053 -0.0313 571 VAL 44 CG1 -0.0196 0.0054 -0.0317 572 VAL 44 CG2 -0.0051 0.0049 -0.0284 573 VAL 44 H -0.0170 -0.0096 -0.0129 574 VAL 44 HA -0.0346 -0.0007 -0.0269 575 VAL 44 HB -0.0200 0.0102 -0.0376 576 VAL 44 HG11 -0.0208 0.0105 -0.0382 577 VAL 44 HG12 -0.0264 0.0017 -0.0284 578 VAL 44 HG13 -0.0124 0.0040 -0.0287 579 VAL 44 HG21 0.0002 0.0075 -0.0306 580 VAL 44 HG22 -0.0040 -0.0005 -0.0217 581 VAL 44 HG23 -0.0036 0.0074 -0.0312 582 MET 45 N -0.0102 -0.0013 -0.0127 583 MET 45 CA -0.0088 -0.0025 -0.0108 584 MET 45 C -0.0087 -0.0067 -0.0081 585 MET 45 O -0.0059 -0.0075 -0.0053 586 MET 45 CB -0.0050 0.0003 -0.0093 587 MET 45 CG -0.0045 0.0046 -0.0116 588 MET 45 SD -0.0055 0.0060 -0.0132 589 MET 45 CE -0.0018 0.0056 -0.0100 590 MET 45 H -0.0089 -0.0013 -0.0116 591 MET 45 HA -0.0104 -0.0023 -0.0122 592 MET 45 HB2 -0.0034 0.0001 -0.0080 593 MET 45 HB3 -0.0041 -0.0007 -0.0080 594 MET 45 HG2 -0.0062 0.0053 -0.0134 595 MET 45 HG3 -0.0021 0.0062 -0.0106 596 MET 45 HE1 -0.0020 0.0064 -0.0106 597 MET 45 HE2 0.0004 0.0073 -0.0092 598 MET 45 HE3 -0.0019 0.0028 -0.0083 599 GLY 46 N -0.0141 0.0052 -0.0087 600 GLY 46 CA -0.0142 0.0043 -0.0078 601 GLY 46 C -0.0150 0.0040 -0.0076 602 GLY 46 O -0.0153 0.0032 -0.0068 603 GLY 46 H -0.0147 0.0054 -0.0090 604 GLY 46 HA2 -0.0134 0.0041 -0.0074 605 GLY 46 HA3 -0.0147 0.0040 -0.0075 606 SER 47 N -0.0095 0.0018 -0.0062 607 SER 47 CA -0.0100 0.0007 -0.0060 608 SER 47 C -0.0090 0.0020 -0.0061 609 SER 47 O -0.0086 0.0038 -0.0068 610 SER 47 CB -0.0122 0.0001 -0.0068 611 SER 47 OG -0.0131 0.0019 -0.0081 612 SER 47 H -0.0092 0.0031 -0.0067 613 SER 47 HA -0.0094 -0.0005 -0.0051 614 SER 47 HB2 -0.0125 -0.0004 -0.0067 615 SER 47 HB3 -0.0128 -0.0008 -0.0066 616 SER 47 HG -0.0141 0.0016 -0.0085 617 VAL 48 N -0.0067 0.0003 0.0001 618 VAL 48 CA -0.0059 0.0013 -0.0003 619 VAL 48 C -0.0071 0.0007 -0.0003 620 VAL 48 O -0.0082 -0.0008 0.0003 621 VAL 48 CB -0.0036 0.0010 0.0006 622 VAL 48 CG1 -0.0022 0.0018 0.0005 623 VAL 48 CG2 -0.0034 -0.0010 0.0019 624 VAL 48 H -0.0071 -0.0009 0.0007 625 VAL 48 HA -0.0059 0.0026 -0.0011 626 VAL 48 HB -0.0031 0.0017 0.0003 627 VAL 48 HG11 -0.0008 0.0016 0.0011 628 VAL 48 HG12 -0.0022 0.0031 -0.0003 629 VAL 48 HG13 -0.0027 0.0012 0.0007 630 VAL 48 HG21 -0.0020 -0.0012 0.0024 631 VAL 48 HG22 -0.0041 -0.0017 0.0021 632 VAL 48 HG23 -0.0042 -0.0015 0.0019 633 TRP 49 N -0.0079 0.0013 0.0018 634 TRP 49 CA -0.0094 0.0017 0.0015 635 TRP 49 C -0.0089 0.0016 0.0015 636 TRP 49 O -0.0076 0.0017 0.0007 637 TRP 49 CB -0.0101 0.0025 -0.0002 638 TRP 49 CG -0.0112 0.0027 -0.0002 639 TRP 49 CD1 -0.0107 0.0030 -0.0010 640 TRP 49 CD2 -0.0129 0.0027 0.0005 641 TRP 49 NE1 -0.0120 0.0031 -0.0008 642 TRP 49 CE2 -0.0134 0.0030 0.0001 643 TRP 49 CE3 -0.0141 0.0025 0.0014 644 TRP 49 CZ2 -0.0150 0.0030 0.0007 645 TRP 49 CZ3 -0.0157 0.0026 0.0020 646 TRP 49 CH2 -0.0161 0.0029 0.0016 647 TRP 49 H -0.0073 0.0016 0.0009 648 TRP 49 HA -0.0104 0.0015 0.0024 649 TRP 49 HB2 -0.0091 0.0027 -0.0010 650 TRP 49 HB3 -0.0109 0.0028 -0.0005 651 TRP 49 HD1 -0.0096 0.0031 -0.0017 652 TRP 49 HE1 -0.0119 0.0032 -0.0012 653 TRP 49 HE3 -0.0138 0.0024 0.0017 654 TRP 49 HZ2 -0.0153 0.0032 0.0004 655 TRP 49 HZ3 -0.0165 0.0025 0.0026 656 TRP 49 HH2 -0.0172 0.0029 0.0019 657 VAL 50 N -0.0062 0.0003 0.0013 658 VAL 50 CA -0.0041 -0.0003 0.0016 659 VAL 50 C -0.0047 0.0005 0.0012 660 VAL 50 O -0.0068 -0.0000 0.0015 661 VAL 50 CB -0.0038 -0.0029 0.0029 662 VAL 50 CG1 -0.0016 -0.0035 0.0033 663 VAL 50 CG2 -0.0035 -0.0038 0.0034 664 VAL 50 H -0.0076 -0.0004 0.0016 665 VAL 50 HA -0.0026 0.0004 0.0013 666 VAL 50 HB -0.0054 -0.0036 0.0032 667 VAL 50 HG11 -0.0012 -0.0051 0.0041 668 VAL 50 HG12 -0.0021 -0.0033 0.0032 669 VAL 50 HG13 -0.0002 -0.0026 0.0028 670 VAL 50 HG21 -0.0032 -0.0054 0.0042 671 VAL 50 HG22 -0.0021 -0.0030 0.0030 672 VAL 50 HG23 -0.0050 -0.0035 0.0032 673 ILE 51 N -0.0070 -0.0020 0.0010 674 ILE 51 CA -0.0079 -0.0001 0.0000 675 ILE 51 C -0.0062 -0.0005 -0.0008 676 ILE 51 O -0.0043 -0.0003 -0.0023 677 ILE 51 CB -0.0082 0.0020 -0.0017 678 ILE 51 CG1 -0.0094 0.0023 -0.0011 679 ILE 51 CG2 -0.0096 0.0039 -0.0024 680 ILE 51 CD1 -0.0077 0.0020 -0.0020 681 ILE 51 H -0.0055 -0.0023 0.0003 682 ILE 51 HA -0.0094 -0.0001 0.0010 683 ILE 51 HB -0.0066 0.0020 -0.0028 684 ILE 51 HG12 -0.0106 0.0037 -0.0015 685 ILE 51 HG13 -0.0101 0.0012 0.0004 686 ILE 51 HG21 -0.0098 0.0052 -0.0034 687 ILE 51 HG22 -0.0088 0.0038 -0.0028 688 ILE 51 HG23 -0.0112 0.0039 -0.0013 689 ILE 51 HD11 -0.0086 0.0022 -0.0016 690 ILE 51 HD12 -0.0065 0.0006 -0.0016 691 ILE 51 HD13 -0.0070 0.0031 -0.0034 692 ARG 52 N -0.0041 -0.0015 -0.0017 693 ARG 52 CA -0.0014 -0.0029 0.0001 694 ARG 52 C 0.0000 -0.0025 0.0013 695 ARG 52 O -0.0010 -0.0030 0.0005 696 ARG 52 CB -0.0014 -0.0065 -0.0004 697 ARG 52 CG 0.0013 -0.0084 0.0014 698 ARG 52 CD 0.0009 -0.0120 0.0005 699 ARG 52 NE 0.0033 -0.0141 0.0020 700 ARG 52 CZ 0.0034 -0.0173 0.0016 701 ARG 52 NH1 0.0012 -0.0188 -0.0003 702 ARG 52 NH2 0.0057 -0.0190 0.0031 703 ARG 52 H -0.0052 -0.0029 -0.0027 704 ARG 52 HA -0.0005 -0.0019 0.0010 705 ARG 52 HB2 -0.0023 -0.0067 -0.0011 706 ARG 52 HB3 -0.0022 -0.0076 -0.0012 707 ARG 52 HG2 0.0024 -0.0081 0.0023 708 ARG 52 HG3 0.0021 -0.0077 0.0021 709 ARG 52 HD2 -0.0002 -0.0123 -0.0004 710 ARG 52 HD3 -0.0000 -0.0127 -0.0003 711 ARG 52 HE 0.0047 -0.0132 0.0033 712 ARG 52 HH11 -0.0003 -0.0178 -0.0013 713 ARG 52 HH12 0.0013 -0.0209 -0.0005 714 ARG 52 HH21 0.0071 -0.0180 0.0043 715 ARG 52 HH22 0.0058 -0.0211 0.0029 716 GLN 53 N -0.0060 -0.0048 -0.0009 717 GLN 53 CA -0.0067 -0.0036 -0.0029 718 GLN 53 C -0.0079 -0.0050 -0.0010 719 GLN 53 O -0.0074 -0.0067 0.0017 720 GLN 53 CB -0.0033 -0.0022 -0.0044 721 GLN 53 CG -0.0014 -0.0011 -0.0056 722 GLN 53 CD -0.0035 0.0003 -0.0083 723 GLN 53 OE1 -0.0048 0.0014 -0.0102 724 GLN 53 NE2 -0.0038 0.0004 -0.0083 725 GLN 53 H -0.0040 -0.0052 0.0001 726 GLN 53 HA -0.0085 -0.0029 -0.0044 727 GLN 53 HB2 -0.0016 -0.0029 -0.0029 728 GLN 53 HB3 -0.0039 -0.0012 -0.0060 729 GLN 53 HG2 -0.0012 -0.0021 -0.0040 730 GLN 53 HG3 0.0009 -0.0004 -0.0061 731 GLN 53 HE21 -0.0029 -0.0005 -0.0069 732 GLN 53 HE22 -0.0050 0.0012 -0.0098 733 LYS 54 N -0.0243 -0.0203 0.0019 734 LYS 54 CA -0.0285 -0.0040 -0.0072 735 LYS 54 C -0.0441 -0.0017 -0.0215 736 LYS 54 O -0.0477 0.0133 -0.0297 737 LYS 54 CB -0.0282 -0.0060 -0.0063 738 LYS 54 CG -0.0127 -0.0012 0.0054 739 LYS 54 CD -0.0128 -0.0079 0.0076 740 LYS 54 CE 0.0015 -0.0148 0.0223 741 LYS 54 NZ 0.0153 -0.0004 0.0293 742 LYS 54 H -0.0230 -0.0287 0.0059 743 LYS 54 HA -0.0213 0.0069 -0.0047 744 LYS 54 HB2 -0.0325 -0.0189 -0.0056 745 LYS 54 HB3 -0.0340 0.0023 -0.0141 746 LYS 54 HG2 -0.0092 0.0122 0.0040 747 LYS 54 HG3 -0.0060 -0.0072 0.0132 748 LYS 54 HD2 -0.0213 -0.0181 0.0038 749 LYS 54 HD3 -0.0134 0.0023 0.0037 750 LYS 54 HE2 0.0018 -0.0256 0.0262 751 LYS 54 HE3 0.0014 -0.0184 0.0234 752 LYS 54 HZ1 0.0233 -0.0050 0.0378 753 LYS 54 HZ2 0.0154 0.0096 0.0260 754 LYS 54 HZ3 0.0156 0.0032 0.0284 755 ASP 55 N -0.0236 -0.0105 -0.0058 756 ASP 55 CA -0.0179 -0.0110 -0.0004 757 ASP 55 C -0.0100 -0.0120 0.0095 758 ASP 55 O -0.0036 -0.0124 0.0142 759 ASP 55 CB -0.0111 -0.0101 -0.0095 760 ASP 55 CG -0.0002 -0.0096 -0.0135 761 ASP 55 OD1 0.0005 -0.0098 -0.0123 762 ASP 55 OD2 0.0078 -0.0092 -0.0180 763 ASP 55 H -0.0194 -0.0100 -0.0108 764 ASP 55 HA -0.0239 -0.0113 0.0027 765 ASP 55 HB2 -0.0089 -0.0104 -0.0062 766 ASP 55 HB3 -0.0161 -0.0094 -0.0162 767 ASP 56 N -0.0013 -0.0111 0.0069 768 ASP 56 CA 0.0007 -0.0112 0.0094 769 ASP 56 C 0.0058 -0.0066 0.0079 770 ASP 56 O 0.0081 -0.0064 0.0103 771 ASP 56 CB 0.0016 -0.0144 0.0160 772 ASP 56 CG -0.0037 -0.0191 0.0176 773 ASP 56 OD1 -0.0081 -0.0199 0.0137 774 ASP 56 OD2 -0.0035 -0.0219 0.0228 775 ASP 56 H -0.0042 -0.0115 0.0040 776 ASP 56 HA -0.0022 -0.0122 0.0076 777 ASP 56 HB2 0.0038 -0.0139 0.0179 778 ASP 56 HB3 0.0036 -0.0138 0.0175 779 SER 57 N 0.0052 -0.0071 0.0049 780 SER 57 CA 0.0099 -0.0057 0.0027 781 SER 57 C 0.0080 -0.0054 0.0010 782 SER 57 O 0.0030 -0.0060 0.0005 783 SER 57 CB 0.0120 -0.0036 -0.0023 784 SER 57 OG 0.0078 -0.0029 -0.0066 785 SER 57 H 0.0038 -0.0067 0.0029 786 SER 57 HA 0.0130 -0.0061 0.0055 787 SER 57 HB2 0.0153 -0.0027 -0.0035 788 SER 57 HB3 0.0130 -0.0038 -0.0014 789 SER 57 HG 0.0090 -0.0017 -0.0093 790 LEU 58 N 0.0074 -0.0028 0.0031 791 LEU 58 CA 0.0066 -0.0026 0.0020 792 LEU 58 C 0.0069 -0.0012 0.0012 793 LEU 58 O 0.0077 -0.0003 0.0016 794 LEU 58 CB 0.0065 -0.0029 0.0020 795 LEU 58 CG 0.0063 -0.0042 0.0028 796 LEU 58 CD1 0.0071 -0.0041 0.0038 797 LEU 58 CD2 0.0053 -0.0050 0.0021 798 LEU 58 H 0.0079 -0.0023 0.0035 799 LEU 58 HA 0.0060 -0.0031 0.0016 800 LEU 58 HB2 0.0071 -0.0023 0.0024 801 LEU 58 HB3 0.0060 -0.0028 0.0012 802 LEU 58 HG 0.0062 -0.0047 0.0031 803 LEU 58 HD11 0.0069 -0.0050 0.0043 804 LEU 58 HD12 0.0077 -0.0037 0.0043 805 LEU 58 HD13 0.0071 -0.0036 0.0035 806 LEU 58 HD21 0.0052 -0.0058 0.0026 807 LEU 58 HD22 0.0053 -0.0045 0.0017 808 LEU 58 HD23 0.0048 -0.0051 0.0015 809 LYS 59 N -0.0003 0.0004 -0.0007 810 LYS 59 CA 0.0006 0.0006 -0.0017 811 LYS 59 C 0.0001 -0.0001 -0.0000 812 LYS 59 O -0.0018 -0.0001 0.0012 813 LYS 59 CB -0.0004 0.0022 -0.0037 814 LYS 59 CG 0.0005 0.0029 -0.0057 815 LYS 59 CD -0.0012 0.0045 -0.0074 816 LYS 59 CE -0.0004 0.0052 -0.0091 817 LYS 59 NZ 0.0010 0.0058 -0.0111 818 LYS 59 H -0.0018 0.0008 -0.0004 819 LYS 59 HA 0.0023 0.0003 -0.0022 820 LYS 59 HB2 -0.0021 0.0026 -0.0034 821 LYS 59 HB3 -0.0000 0.0022 -0.0041 822 LYS 59 HG2 0.0020 0.0028 -0.0064 823 LYS 59 HG3 0.0005 0.0026 -0.0052 824 LYS 59 HD2 -0.0027 0.0047 -0.0067 825 LYS 59 HD3 -0.0011 0.0048 -0.0080 826 LYS 59 HE2 0.0006 0.0045 -0.0086 827 LYS 59 HE3 -0.0018 0.0059 -0.0096 828 LYS 59 HZ1 0.0002 0.0064 -0.0117 829 LYS 59 HZ2 0.0023 0.0051 -0.0108 830 LYS 59 HZ3 0.0015 0.0062 -0.0121 831 VAL 60 N 0.0012 0.0019 0.0016 832 VAL 60 CA 0.0004 0.0015 0.0016 833 VAL 60 C 0.0003 0.0026 0.0008 834 VAL 60 O 0.0014 0.0034 0.0007 835 VAL 60 CB 0.0011 0.0006 0.0025 836 VAL 60 CG1 0.0004 0.0003 0.0024 837 VAL 60 CG2 0.0012 -0.0006 0.0032 838 VAL 60 H 0.0019 0.0024 0.0015 839 VAL 60 HA -0.0006 0.0011 0.0016 840 VAL 60 HB 0.0021 0.0009 0.0025 841 VAL 60 HG11 0.0007 -0.0005 0.0030 842 VAL 60 HG12 0.0006 0.0010 0.0021 843 VAL 60 HG13 -0.0006 0.0002 0.0022 844 VAL 60 HG21 0.0015 -0.0012 0.0038 845 VAL 60 HG22 0.0002 -0.0009 0.0032 846 VAL 60 HG23 0.0018 -0.0004 0.0033 847 PHE 61 N -0.0045 0.0015 -0.0005 848 PHE 61 CA -0.0042 0.0016 -0.0012 849 PHE 61 C -0.0040 0.0015 -0.0007 850 PHE 61 O -0.0046 0.0013 -0.0000 851 PHE 61 CB -0.0049 0.0019 -0.0019 852 PHE 61 CG -0.0051 0.0021 -0.0025 853 PHE 61 CD1 -0.0044 0.0023 -0.0031 854 PHE 61 CD2 -0.0059 0.0022 -0.0024 855 PHE 61 CE1 -0.0046 0.0025 -0.0036 856 PHE 61 CE2 -0.0061 0.0023 -0.0029 857 PHE 61 CZ -0.0054 0.0025 -0.0035 858 PHE 61 H -0.0050 0.0014 -0.0002 859 PHE 61 HA -0.0035 0.0017 -0.0014 860 PHE 61 HB2 -0.0055 0.0019 -0.0017 861 PHE 61 HB3 -0.0046 0.0021 -0.0023 862 PHE 61 HD1 -0.0038 0.0023 -0.0032 863 PHE 61 HD2 -0.0063 0.0021 -0.0019 864 PHE 61 HE1 -0.0041 0.0026 -0.0041 865 PHE 61 HE2 -0.0066 0.0024 -0.0028 866 PHE 61 HZ -0.0055 0.0026 -0.0039 867 SER 62 N -0.0034 0.0005 -0.0028 868 SER 62 CA -0.0037 0.0007 -0.0034 869 SER 62 C -0.0050 0.0002 -0.0045 870 SER 62 O -0.0055 0.0003 -0.0052 871 SER 62 CB -0.0027 0.0019 -0.0042 872 SER 62 OG -0.0029 0.0020 -0.0048 873 SER 62 H -0.0028 0.0011 -0.0030 874 SER 62 HA -0.0036 0.0003 -0.0027 875 SER 62 HB2 -0.0019 0.0022 -0.0035 876 SER 62 HB3 -0.0028 0.0022 -0.0049 877 SER 62 HG -0.0033 0.0015 -0.0043 878 THR 63 N -0.0075 0.0036 -0.0061 879 THR 63 CA -0.0082 0.0033 -0.0070 880 THR 63 C -0.0077 0.0037 -0.0083 881 THR 63 O -0.0082 0.0034 -0.0092 882 THR 63 CB -0.0085 0.0030 -0.0064 883 THR 63 OG1 -0.0075 0.0036 -0.0061 884 THR 63 CG2 -0.0092 0.0025 -0.0053 885 THR 63 H -0.0072 0.0037 -0.0055 886 THR 63 HA -0.0089 0.0029 -0.0072 887 THR 63 HB -0.0090 0.0028 -0.0070 888 THR 63 HG1 -0.0077 0.0035 -0.0058 889 THR 63 HG21 -0.0094 0.0024 -0.0049 890 THR 63 HG22 -0.0099 0.0022 -0.0055 891 THR 63 HG23 -0.0088 0.0027 -0.0046 892 ASN 64 N -0.0026 -0.0003 -0.0126 893 ASN 64 CA -0.0032 0.0005 -0.0127 894 ASN 64 C -0.0031 -0.0001 -0.0109 895 ASN 64 O -0.0036 0.0001 -0.0093 896 ASN 64 CB -0.0046 0.0022 -0.0128 897 ASN 64 CG -0.0053 0.0032 -0.0132 898 ASN 64 OD1 -0.0049 0.0031 -0.0146 899 ASN 64 ND2 -0.0064 0.0043 -0.0119 900 ASN 64 H -0.0031 0.0002 -0.0120 901 ASN 64 HA -0.0028 0.0002 -0.0139 902 ASN 64 HB2 -0.0046 0.0025 -0.0139 903 ASN 64 HB3 -0.0050 0.0025 -0.0116 904 ASN 64 HD21 -0.0068 0.0049 -0.0121 905 ASN 64 HD22 -0.0066 0.0043 -0.0110 906 ASN 64 N -0.0026 -0.0003 -0.0127 907 ASN 64 CA -0.0031 0.0004 -0.0127 908 ASN 64 C -0.0030 -0.0002 -0.0109 909 ASN 64 O -0.0033 -0.0002 -0.0093 910 ASN 64 CB -0.0045 0.0021 -0.0129 911 ASN 64 CG -0.0047 0.0028 -0.0149 912 ASN 64 OD1 -0.0039 0.0022 -0.0164 913 ASN 64 ND2 -0.0058 0.0042 -0.0149 914 ASN 64 H -0.0031 0.0002 -0.0122 915 ASN 64 HA -0.0027 0.0000 -0.0139 916 ASN 64 HB2 -0.0049 0.0025 -0.0119 917 ASN 64 HB3 -0.0049 0.0025 -0.0127 918 ASN 64 HD21 -0.0059 0.0047 -0.0160 919 ASN 64 HD22 -0.0063 0.0047 -0.0139 920 CYS 65 N -0.0008 -0.0012 -0.0104 921 CYS 65 CA -0.0008 -0.0013 -0.0101 922 CYS 65 C -0.0013 -0.0024 -0.0102 923 CYS 65 O -0.0015 -0.0032 -0.0097 924 CYS 65 CB -0.0003 -0.0009 -0.0089 925 CYS 65 SG -0.0002 -0.0009 -0.0085 926 CYS 65 HA -0.0007 -0.0008 -0.0107 927 CYS 65 HB2 0.0000 -0.0002 -0.0088 928 CYS 65 HB3 -0.0004 -0.0015 -0.0083 929 CYS 65 H -0.0006 -0.0011 -0.0098 930 CYS 65 H -0.0006 -0.0012 -0.0098 931 PRO 66 N 0.0025 -0.0052 -0.0040 932 PRO 66 CA 0.0038 -0.0073 -0.0055 933 PRO 66 C 0.0046 -0.0084 -0.0057 934 PRO 66 O 0.0058 -0.0103 -0.0067 935 PRO 66 CB 0.0027 -0.0070 -0.0082 936 PRO 66 CG 0.0009 -0.0047 -0.0082 937 PRO 66 CD 0.0008 -0.0036 -0.0055 938 PRO 66 HA 0.0046 -0.0082 -0.0049 939 PRO 66 HB2 0.0031 -0.0079 -0.0095 940 PRO 66 HB3 0.0028 -0.0072 -0.0084 941 PRO 66 HG2 0.0007 -0.0046 -0.0087 942 PRO 66 HG3 0.0001 -0.0041 -0.0095 943 PRO 66 HD2 -0.0000 -0.0024 -0.0051 944 PRO 66 HD3 0.0005 -0.0031 -0.0053 945 HIS 67 N 0.0046 -0.0093 -0.0106 946 HIS 67 CA 0.0027 -0.0083 -0.0081 947 HIS 67 C 0.0006 -0.0118 -0.0060 948 HIS 67 O 0.0005 -0.0141 -0.0062 949 HIS 67 CB 0.0017 -0.0044 -0.0062 950 HIS 67 CG -0.0004 -0.0033 -0.0035 951 HIS 67 ND1 -0.0027 -0.0022 -0.0005 952 HIS 67 CD2 -0.0006 -0.0031 -0.0033 953 HIS 67 CE1 -0.0041 -0.0013 0.0014 954 HIS 67 NE2 -0.0029 -0.0019 -0.0002 955 HIS 67 H 0.0046 -0.0080 -0.0104 956 HIS 67 HA 0.0035 -0.0079 -0.0089 957 HIS 67 HB2 0.0031 -0.0022 -0.0076 958 HIS 67 HB3 0.0009 -0.0047 -0.0054 959 HIS 67 HD2 0.0007 -0.0037 -0.0049 960 HIS 67 HE1 -0.0058 -0.0005 0.0035 961 HIS 67 HE2 -0.0035 -0.0017 0.0006 962 LEU 68 N -0.0034 -0.0075 -0.0181 963 LEU 68 CA -0.0056 -0.0097 -0.0169 964 LEU 68 C -0.0046 -0.0077 -0.0213 965 LEU 68 O -0.0049 -0.0083 -0.0200 966 LEU 68 CB -0.0043 -0.0102 -0.0103 967 LEU 68 CG -0.0065 -0.0132 -0.0059 968 LEU 68 CD1 -0.0049 -0.0134 0.0004 969 LEU 68 CD2 -0.0120 -0.0174 -0.0071 970 LEU 68 H -0.0005 -0.0050 -0.0188 971 LEU 68 HA -0.0091 -0.0123 -0.0176 972 LEU 68 HB2 -0.0008 -0.0077 -0.0092 973 LEU 68 HB3 -0.0054 -0.0112 -0.0100 974 LEU 68 HG -0.0055 -0.0122 -0.0063 975 LEU 68 HD11 -0.0063 -0.0153 0.0032 976 LEU 68 HD12 -0.0014 -0.0108 0.0013 977 LEU 68 HD13 -0.0058 -0.0143 0.0008 978 LEU 68 HD21 -0.0132 -0.0192 -0.0037 979 LEU 68 HD22 -0.0130 -0.0181 -0.0078 980 LEU 68 HD23 -0.0130 -0.0174 -0.0107 981 GLY 69 N -0.0026 -0.0025 -0.0166 982 GLY 69 CA -0.0026 -0.0008 -0.0182 983 GLY 69 C -0.0006 0.0002 -0.0189 984 GLY 69 O -0.0004 0.0016 -0.0202 985 GLY 69 H -0.0029 -0.0028 -0.0163 986 GLY 69 HA2 -0.0036 -0.0004 -0.0186 987 GLY 69 HA3 -0.0032 -0.0006 -0.0184 988 CYS 70 N 0.0015 0.0024 -0.0164 989 CYS 70 CA 0.0025 0.0028 -0.0168 990 CYS 70 C 0.0013 0.0034 -0.0164 991 CYS 70 O -0.0001 0.0032 -0.0159 992 CYS 70 CB 0.0035 0.0012 -0.0169 993 CYS 70 SG 0.0052 0.0006 -0.0175 994 CYS 70 H 0.0016 0.0013 -0.0163 995 CYS 70 HA 0.0032 0.0037 -0.0171 996 CYS 70 HB2 0.0028 0.0002 -0.0166 997 CYS 70 HB3 0.0040 0.0014 -0.0171 998 GLY 71 N -0.0011 0.0060 -0.0124 999 GLY 71 CA -0.0022 0.0065 -0.0119 1000 GLY 71 C -0.0030 0.0054 -0.0120 1001 GLY 71 O -0.0025 0.0045 -0.0124 1002 GLY 71 H -0.0003 0.0062 -0.0126 1003 GLY 71 HA2 -0.0027 0.0069 -0.0116 1004 GLY 71 HA3 -0.0018 0.0071 -0.0118 1005 ILE 72 N -0.0037 0.0032 -0.0044 1006 ILE 72 CA -0.0042 0.0027 -0.0044 1007 ILE 72 C -0.0046 0.0026 -0.0041 1008 ILE 72 O -0.0047 0.0029 -0.0036 1009 ILE 72 CB -0.0045 0.0027 -0.0041 1010 ILE 72 CG1 -0.0041 0.0028 -0.0044 1011 ILE 72 CG2 -0.0051 0.0022 -0.0040 1012 ILE 72 CD1 -0.0043 0.0029 -0.0041 1013 ILE 72 H -0.0036 0.0035 -0.0040 1014 ILE 72 HA -0.0042 0.0024 -0.0048 1015 ILE 72 HB -0.0044 0.0030 -0.0037 1016 ILE 72 HG12 -0.0041 0.0025 -0.0048 1017 ILE 72 HG13 -0.0037 0.0031 -0.0045 1018 ILE 72 HG21 -0.0052 0.0022 -0.0039 1019 ILE 72 HG22 -0.0053 0.0023 -0.0037 1020 ILE 72 HG23 -0.0051 0.0019 -0.0044 1021 ILE 72 HD11 -0.0040 0.0028 -0.0044 1022 ILE 72 HD12 -0.0041 0.0032 -0.0038 1023 ILE 72 HD13 -0.0047 0.0026 -0.0040 1024 ASP 73 N -0.0069 0.0046 0.0019 1025 ASP 73 CA -0.0066 0.0030 0.0016 1026 ASP 73 C -0.0071 0.0014 0.0036 1027 ASP 73 O -0.0074 0.0009 0.0047 1028 ASP 73 CB -0.0056 0.0016 -0.0004 1029 ASP 73 CG -0.0051 0.0031 -0.0025 1030 ASP 73 OD1 -0.0052 0.0047 -0.0028 1031 ASP 73 OD2 -0.0045 0.0025 -0.0039 1032 ASP 73 H -0.0067 0.0040 0.0016 1033 ASP 73 HA -0.0067 0.0039 0.0014 1034 ASP 73 HB2 -0.0056 0.0008 -0.0002 1035 ASP 73 HB3 -0.0054 0.0005 -0.0005 1036 TRP 74 N -0.0090 -0.0009 0.0064 1037 TRP 74 CA -0.0091 -0.0022 0.0075 1038 TRP 74 C -0.0097 -0.0038 0.0064 1039 TRP 74 O -0.0102 -0.0047 0.0057 1040 TRP 74 CB -0.0088 -0.0029 0.0092 1041 TRP 74 CG -0.0088 -0.0044 0.0103 1042 TRP 74 CD1 -0.0093 -0.0062 0.0105 1043 TRP 74 CD2 -0.0085 -0.0042 0.0114 1044 TRP 74 NE1 -0.0092 -0.0071 0.0116 1045 TRP 74 CE2 -0.0087 -0.0060 0.0121 1046 TRP 74 CE3 -0.0081 -0.0027 0.0117 1047 TRP 74 CZ2 -0.0085 -0.0063 0.0133 1048 TRP 74 CZ3 -0.0078 -0.0030 0.0129 1049 TRP 74 CH2 -0.0081 -0.0048 0.0136 1050 TRP 74 H -0.0091 -0.0012 0.0064 1051 TRP 74 HA -0.0088 -0.0016 0.0079 1052 TRP 74 HB2 -0.0083 -0.0019 0.0100 1053 TRP 74 HB3 -0.0090 -0.0033 0.0089 1054 TRP 74 HD1 -0.0095 -0.0067 0.0099 1055 TRP 74 HE1 -0.0094 -0.0083 0.0119 1056 TRP 74 HE3 -0.0079 -0.0016 0.0112 1057 TRP 74 HZ2 -0.0087 -0.0074 0.0139 1058 TRP 74 HZ3 -0.0075 -0.0021 0.0131 1059 TRP 74 HH2 -0.0079 -0.0050 0.0144 1060 ALA 75 N -0.0067 -0.0112 0.0173 1061 ALA 75 CA -0.0059 -0.0121 0.0170 1062 ALA 75 C -0.0020 -0.0138 0.0180 1063 ALA 75 O -0.0000 -0.0124 0.0206 1064 ALA 75 CB -0.0070 -0.0092 0.0189 1065 ALA 75 H -0.0062 -0.0096 0.0190 1066 ALA 75 HA -0.0070 -0.0134 0.0151 1067 ALA 75 HB1 -0.0063 -0.0099 0.0187 1068 ALA 75 HB2 -0.0095 -0.0082 0.0182 1069 ALA 75 HB3 -0.0059 -0.0079 0.0208 1070 ASN 76 N -0.0024 -0.0222 0.0134 1071 ASN 76 CA -0.0004 -0.0258 0.0163 1072 ASN 76 C 0.0045 -0.0330 0.0204 1073 ASN 76 O 0.0052 -0.0363 0.0250 1074 ASN 76 CB 0.0023 -0.0246 0.0096 1075 ASN 76 CG -0.0024 -0.0203 0.0101 1076 ASN 76 OD1 -0.0048 -0.0214 0.0163 1077 ASN 76 ND2 -0.0037 -0.0153 0.0035 1078 ASN 76 H -0.0008 -0.0209 0.0084 1079 ASN 76 HA -0.0042 -0.0242 0.0202 1080 ASN 76 HB2 0.0031 -0.0226 0.0046 1081 ASN 76 HB3 0.0063 -0.0287 0.0098 1082 ASN 76 HD21 -0.0019 -0.0147 -0.0007 1083 ASN 76 HD22 -0.0063 -0.0127 0.0035 1084 ASP 77 N 0.0030 -0.0288 0.0223 1085 ASP 77 CA 0.0108 -0.0140 0.0302 1086 ASP 77 C 0.0189 0.0004 0.0376 1087 ASP 77 O 0.0359 0.0074 0.0384 1088 ASP 77 CB -0.0042 -0.0089 0.0366 1089 ASP 77 CG -0.0239 -0.0057 0.0430 1090 ASP 77 OD1 -0.0281 -0.0078 0.0426 1091 ASP 77 OD2 -0.0361 -0.0009 0.0487 1092 ASP 77 H -0.0096 -0.0307 0.0239 1093 ASP 77 HA 0.0217 -0.0168 0.0260 1094 ASP 77 HB2 0.0013 0.0014 0.0420 1095 ASP 77 HB3 -0.0067 -0.0180 0.0314 1096 VAL 78 N 0.0052 -0.0075 0.0269 1097 VAL 78 CA 0.0076 -0.0032 0.0291 1098 VAL 78 C 0.0111 -0.0048 0.0283 1099 VAL 78 O 0.0137 -0.0017 0.0299 1100 VAL 78 CB 0.0030 0.0005 0.0310 1101 VAL 78 CG1 0.0003 0.0027 0.0322 1102 VAL 78 CG2 -0.0014 -0.0019 0.0298 1103 VAL 78 H 0.0019 -0.0083 0.0265 1104 VAL 78 HA 0.0102 -0.0015 0.0300 1105 VAL 78 HB 0.0048 0.0032 0.0324 1106 VAL 78 HG11 -0.0025 0.0051 0.0334 1107 VAL 78 HG12 0.0031 0.0043 0.0330 1108 VAL 78 HG13 -0.0014 0.0000 0.0308 1109 VAL 78 HG21 -0.0039 0.0006 0.0311 1110 VAL 78 HG22 -0.0034 -0.0044 0.0285 1111 VAL 78 HG23 0.0005 -0.0035 0.0290 1112 SER 79 N 0.0044 -0.0086 0.0233 1113 SER 79 CA 0.0062 -0.0092 0.0237 1114 SER 79 C 0.0050 -0.0060 0.0252 1115 SER 79 O 0.0074 -0.0044 0.0270 1116 SER 79 CB 0.0107 -0.0102 0.0248 1117 SER 79 OG 0.0117 -0.0138 0.0230 1118 SER 79 H 0.0032 -0.0103 0.0218 1119 SER 79 HA 0.0053 -0.0113 0.0221 1120 SER 79 HB2 0.0117 -0.0085 0.0262 1121 SER 79 HB3 0.0119 -0.0102 0.0252 1122 SER 79 HG 0.0142 -0.0144 0.0236 1123 ARG 80 N 0.0065 -0.0053 0.0185 1124 ARG 80 CA 0.0046 -0.0043 0.0194 1125 ARG 80 C 0.0010 -0.0071 0.0184 1126 ARG 80 O -0.0008 -0.0088 0.0177 1127 ARG 80 CB 0.0029 -0.0007 0.0218 1128 ARG 80 CG 0.0058 0.0024 0.0231 1129 ARG 80 CD 0.0092 0.0033 0.0230 1130 ARG 80 NE 0.0113 0.0068 0.0247 1131 ARG 80 CZ 0.0149 0.0079 0.0248 1132 ARG 80 NH1 0.0169 0.0059 0.0232 1133 ARG 80 NH2 0.0165 0.0112 0.0264 1134 ARG 80 H 0.0047 -0.0060 0.0183 1135 ARG 80 HA 0.0066 -0.0043 0.0190 1136 ARG 80 HB2 0.0007 -0.0008 0.0221 1137 ARG 80 HB3 0.0018 -0.0001 0.0223 1138 ARG 80 HG2 0.0071 0.0019 0.0226 1139 ARG 80 HG3 0.0044 0.0045 0.0246 1140 ARG 80 HD2 0.0080 0.0033 0.0232 1141 ARG 80 HD3 0.0112 0.0015 0.0216 1142 ARG 80 HE 0.0102 0.0082 0.0257 1143 ARG 80 HH11 0.0159 0.0038 0.0222 1144 ARG 80 HH12 0.0193 0.0067 0.0233 1145 ARG 80 HH21 0.0152 0.0125 0.0274 1146 ARG 80 HH22 0.0189 0.0120 0.0265 1147 PHE 81 N -0.0009 0.0001 0.0107 1148 PHE 81 CA -0.0021 0.0000 0.0103 1149 PHE 81 C -0.0018 -0.0008 0.0123 1150 PHE 81 O -0.0021 -0.0016 0.0141 1151 PHE 81 CB -0.0046 -0.0003 0.0095 1152 PHE 81 CG -0.0050 0.0006 0.0073 1153 PHE 81 CD1 -0.0046 0.0014 0.0056 1154 PHE 81 CD2 -0.0059 0.0005 0.0070 1155 PHE 81 CE1 -0.0050 0.0022 0.0035 1156 PHE 81 CE2 -0.0064 0.0013 0.0050 1157 PHE 81 CZ -0.0059 0.0021 0.0032 1158 PHE 81 H -0.0019 -0.0002 0.0109 1159 PHE 81 HA -0.0014 0.0007 0.0091 1160 PHE 81 HB2 -0.0052 -0.0009 0.0105 1161 PHE 81 HB3 -0.0053 -0.0005 0.0096 1162 PHE 81 HD1 -0.0040 0.0015 0.0058 1163 PHE 81 HD2 -0.0062 -0.0001 0.0082 1164 PHE 81 HE1 -0.0048 0.0028 0.0024 1165 PHE 81 HE2 -0.0069 0.0012 0.0048 1166 PHE 81 HZ -0.0063 0.0027 0.0018 1167 LEU 82 N 0.0014 -0.0016 0.0123 1168 LEU 82 CA 0.0005 -0.0009 0.0119 1169 LEU 82 C -0.0011 0.0002 0.0106 1170 LEU 82 O -0.0014 -0.0003 0.0092 1171 LEU 82 CB 0.0011 -0.0022 0.0107 1172 LEU 82 CG 0.0027 -0.0035 0.0117 1173 LEU 82 CD1 0.0030 -0.0046 0.0104 1174 LEU 82 CD2 0.0032 -0.0027 0.0137 1175 LEU 82 H 0.0014 -0.0022 0.0113 1176 LEU 82 HA 0.0006 -0.0002 0.0131 1177 LEU 82 HB2 0.0009 -0.0028 0.0095 1178 LEU 82 HB3 0.0005 -0.0016 0.0106 1179 LEU 82 HG 0.0034 -0.0041 0.0118 1180 LEU 82 HD11 0.0041 -0.0055 0.0110 1181 LEU 82 HD12 0.0028 -0.0052 0.0091 1182 LEU 82 HD13 0.0024 -0.0040 0.0103 1183 LEU 82 HD21 0.0042 -0.0036 0.0142 1184 LEU 82 HD22 0.0025 -0.0019 0.0137 1185 LEU 82 HD23 0.0031 -0.0020 0.0146 1186 CYS 83 N 0.0058 0.0030 -0.0019 1187 CYS 83 CA 0.0054 0.0044 -0.0032 1188 CYS 83 C 0.0061 0.0038 -0.0042 1189 CYS 83 O 0.0061 0.0034 -0.0035 1190 CYS 83 CB 0.0043 0.0058 -0.0022 1191 CYS 83 SG 0.0038 0.0074 -0.0039 1192 CYS 83 H 0.0058 0.0026 -0.0011 1193 CYS 83 HA 0.0054 0.0048 -0.0039 1194 CYS 83 HB2 0.0038 0.0061 -0.0016 1195 CYS 83 HB3 0.0042 0.0054 -0.0015 1196 PRO 84 N 0.0082 0.0046 -0.0103 1197 PRO 84 CA 0.0099 0.0021 -0.0151 1198 PRO 84 C 0.0096 0.0063 -0.0178 1199 PRO 84 O 0.0109 0.0044 -0.0216 1200 PRO 84 CB 0.0112 0.0009 -0.0198 1201 PRO 84 CG 0.0100 0.0054 -0.0187 1202 PRO 84 CD 0.0082 0.0063 -0.0120 1203 PRO 84 HA 0.0103 -0.0016 -0.0138 1204 PRO 84 HB2 0.0121 0.0014 -0.0238 1205 PRO 84 HB3 0.0119 -0.0032 -0.0191 1206 PRO 84 HG2 0.0098 0.0091 -0.0209 1207 PRO 84 HG3 0.0106 0.0039 -0.0199 1208 PRO 84 HD2 0.0072 0.0104 -0.0112 1209 PRO 84 HD3 0.0083 0.0037 -0.0100 1210 CYS 85 N 0.0092 0.0059 -0.0148 1211 CYS 85 CA 0.0080 0.0064 -0.0145 1212 CYS 85 C 0.0080 0.0070 -0.0132 1213 CYS 85 O 0.0075 0.0073 -0.0129 1214 CYS 85 CB 0.0071 0.0065 -0.0148 1215 CYS 85 SG 0.0066 0.0059 -0.0164 1216 CYS 85 H 0.0093 0.0058 -0.0149 1217 CYS 85 HA 0.0077 0.0063 -0.0149 1218 CYS 85 HB2 0.0075 0.0065 -0.0147 1219 CYS 85 HB3 0.0064 0.0069 -0.0144 1220 HIS 86 N 0.0085 0.0087 -0.0081 1221 HIS 86 CA 0.0089 0.0128 -0.0049 1222 HIS 86 C 0.0142 0.0163 -0.0059 1223 HIS 86 O 0.0158 0.0190 -0.0047 1224 HIS 86 CB 0.0069 0.0115 -0.0044 1225 HIS 86 CG 0.0021 0.0076 -0.0042 1226 HIS 86 ND1 0.0017 0.0031 -0.0078 1227 HIS 86 CD2 -0.0025 0.0074 -0.0010 1228 HIS 86 CE1 -0.0030 0.0003 -0.0066 1229 HIS 86 NE2 -0.0056 0.0028 -0.0026 1230 HIS 86 H 0.0108 0.0076 -0.0107 1231 HIS 86 HA 0.0070 0.0142 -0.0022 1232 HIS 86 HB2 0.0092 0.0107 -0.0068 1233 HIS 86 HB3 0.0065 0.0142 -0.0019 1234 HIS 86 HD2 -0.0034 0.0099 0.0018 1235 HIS 86 HE1 -0.0043 -0.0029 -0.0084 1236 HIS 86 HE2 -0.0087 0.0018 -0.0011 1237 GLU 87 N 0.0164 0.0140 -0.0078 1238 GLU 87 CA 0.0111 0.0058 -0.0041 1239 GLU 87 C 0.0159 0.0082 0.0068 1240 GLU 87 O 0.0142 0.0058 0.0073 1241 GLU 87 CB 0.0065 0.0039 -0.0156 1242 GLU 87 CG 0.0012 0.0010 -0.0267 1243 GLU 87 CD -0.0041 -0.0021 -0.0375 1244 GLU 87 OE1 -0.0081 -0.0084 -0.0346 1245 GLU 87 OE2 -0.0042 0.0018 -0.0487 1246 GLU 87 H 0.0152 0.0119 -0.0063 1247 GLU 87 HA 0.0070 -0.0008 -0.0010 1248 GLU 87 HB2 0.0105 0.0103 -0.0188 1249 GLU 87 HB3 0.0028 -0.0019 -0.0129 1250 GLU 87 HG2 -0.0024 -0.0050 -0.0235 1251 GLU 87 HG3 0.0048 0.0070 -0.0303 1252 GLY 88 N 0.0091 0.0064 0.0019 1253 GLY 88 CA 0.0088 0.0069 0.0054 1254 GLY 88 C 0.0085 0.0040 0.0070 1255 GLY 88 O 0.0086 0.0026 0.0058 1256 GLY 88 H 0.0093 0.0076 0.0008 1257 GLY 88 HA2 0.0087 0.0072 0.0062 1258 GLY 88 HA3 0.0088 0.0088 0.0058 1259 VAL 89 N 0.0090 0.0053 0.0144 1260 VAL 89 CA 0.0099 0.0047 0.0144 1261 VAL 89 C 0.0095 0.0050 0.0151 1262 VAL 89 O 0.0090 0.0052 0.0161 1263 VAL 89 CB 0.0109 0.0040 0.0152 1264 VAL 89 CG1 0.0118 0.0035 0.0151 1265 VAL 89 CG2 0.0113 0.0038 0.0146 1266 VAL 89 H 0.0087 0.0055 0.0151 1267 VAL 89 HA 0.0101 0.0046 0.0136 1268 VAL 89 HB 0.0107 0.0041 0.0160 1269 VAL 89 HG11 0.0124 0.0030 0.0154 1270 VAL 89 HG12 0.0116 0.0036 0.0156 1271 VAL 89 HG13 0.0119 0.0034 0.0142 1272 VAL 89 HG21 0.0119 0.0034 0.0151 1273 VAL 89 HG22 0.0115 0.0037 0.0137 1274 VAL 89 HG23 0.0107 0.0042 0.0147 1275 PHE 90 N 0.0057 0.0019 0.0041 1276 PHE 90 CA 0.0052 0.0021 0.0043 1277 PHE 90 C 0.0059 0.0019 0.0041 1278 PHE 90 O 0.0066 0.0018 0.0035 1279 PHE 90 CB 0.0044 0.0026 0.0036 1280 PHE 90 CG 0.0037 0.0028 0.0036 1281 PHE 90 CD1 0.0039 0.0029 0.0029 1282 PHE 90 CD2 0.0028 0.0030 0.0042 1283 PHE 90 CE1 0.0033 0.0031 0.0029 1284 PHE 90 CE2 0.0022 0.0032 0.0041 1285 PHE 90 CZ 0.0025 0.0033 0.0035 1286 PHE 90 H 0.0060 0.0020 0.0036 1287 PHE 90 HA 0.0049 0.0020 0.0050 1288 PHE 90 HB2 0.0047 0.0026 0.0029 1289 PHE 90 HB3 0.0040 0.0026 0.0038 1290 PHE 90 HD1 0.0045 0.0028 0.0025 1291 PHE 90 HD2 0.0027 0.0029 0.0046 1292 PHE 90 HE1 0.0035 0.0032 0.0025 1293 PHE 90 HE2 0.0017 0.0033 0.0045 1294 PHE 90 HZ 0.0021 0.0034 0.0035 1295 ASP 91 N 0.0035 0.0024 0.0107 1296 ASP 91 CA 0.0047 0.0038 0.0090 1297 ASP 91 C 0.0042 0.0035 0.0070 1298 ASP 91 O 0.0031 0.0022 0.0068 1299 ASP 91 CB 0.0050 0.0042 0.0086 1300 ASP 91 CG 0.0038 0.0030 0.0072 1301 ASP 91 OD1 0.0029 0.0020 0.0061 1302 ASP 91 OD2 0.0040 0.0031 0.0073 1303 ASP 91 H 0.0030 0.0017 0.0108 1304 ASP 91 HA 0.0056 0.0048 0.0096 1305 ASP 91 HB2 0.0059 0.0053 0.0079 1306 ASP 91 HB3 0.0051 0.0043 0.0101 1307 VAL 92 N -0.0059 0.0033 0.0049 1308 VAL 92 CA -0.0059 0.0032 0.0047 1309 VAL 92 C -0.0059 0.0020 0.0036 1310 VAL 92 O -0.0059 0.0016 0.0034 1311 VAL 92 CB -0.0060 0.0046 0.0043 1312 VAL 92 CG1 -0.0060 0.0050 0.0028 1313 VAL 92 CG2 -0.0060 0.0046 0.0044 1314 VAL 92 H -0.0060 0.0041 0.0047 1315 VAL 92 HA -0.0059 0.0029 0.0055 1316 VAL 92 HB -0.0060 0.0052 0.0049 1317 VAL 92 HG11 -0.0060 0.0060 0.0027 1318 VAL 92 HG12 -0.0060 0.0048 0.0027 1319 VAL 92 HG13 -0.0060 0.0044 0.0022 1320 VAL 92 HG21 -0.0060 0.0056 0.0042 1321 VAL 92 HG22 -0.0060 0.0040 0.0038 1322 VAL 92 HG23 -0.0060 0.0044 0.0053 1323 ASN 93 N -0.0023 0.0068 -0.0011 1324 ASN 93 CA -0.0021 0.0040 -0.0033 1325 ASN 93 C -0.0016 0.0008 -0.0018 1326 ASN 93 O -0.0014 -0.0017 -0.0036 1327 ASN 93 CB -0.0023 0.0045 -0.0064 1328 ASN 93 CG -0.0027 0.0074 -0.0084 1329 ASN 93 OD1 -0.0028 0.0080 -0.0086 1330 ASN 93 ND2 -0.0030 0.0092 -0.0097 1331 ASN 93 H -0.0024 0.0075 -0.0012 1332 ASN 93 HA -0.0021 0.0040 -0.0039 1333 ASN 93 HB2 -0.0023 0.0048 -0.0058 1334 ASN 93 HB3 -0.0022 0.0026 -0.0078 1335 ASN 93 HD21 -0.0029 0.0087 -0.0094 1336 ASN 93 HD22 -0.0033 0.0109 -0.0108 1337 GLY 94 N -0.0015 0.0014 -0.0021 1338 GLY 94 CA -0.0008 0.0011 -0.0021 1339 GLY 94 C -0.0005 0.0008 -0.0029 1340 GLY 94 O 0.0001 0.0005 -0.0029 1341 GLY 94 H -0.0018 0.0016 -0.0020 1342 GLY 94 HA2 -0.0007 0.0011 -0.0017 1343 GLY 94 HA3 -0.0004 0.0009 -0.0019 1344 LYS 95 N 0.0032 0.0012 -0.0035 1345 LYS 95 CA 0.0026 -0.0014 -0.0014 1346 LYS 95 C 0.0047 -0.0016 0.0025 1347 LYS 95 O 0.0070 0.0010 0.0034 1348 LYS 95 CB 0.0024 -0.0007 -0.0025 1349 LYS 95 CG 0.0016 -0.0034 -0.0005 1350 LYS 95 CD 0.0023 -0.0023 -0.0008 1351 LYS 95 CE 0.0019 -0.0048 0.0016 1352 LYS 95 NZ 0.0012 -0.0077 0.0040 1353 LYS 95 H 0.0038 0.0030 -0.0046 1354 LYS 95 HA 0.0009 -0.0035 -0.0017 1355 LYS 95 HB2 0.0011 -0.0006 -0.0049 1356 LYS 95 HB3 0.0041 0.0013 -0.0021 1357 LYS 95 HG2 0.0026 -0.0041 0.0019 1358 LYS 95 HG3 -0.0002 -0.0053 -0.0015 1359 LYS 95 HD2 0.0012 -0.0019 -0.0032 1360 LYS 95 HD3 0.0041 -0.0002 -0.0001 1361 LYS 95 HE2 0.0004 -0.0057 0.0001 1362 LYS 95 HE3 0.0035 -0.0038 0.0030 1363 LYS 95 HZ1 0.0025 -0.0070 0.0054 1364 LYS 95 HZ2 0.0010 -0.0091 0.0053 1365 LYS 95 HZ3 -0.0002 -0.0088 0.0028 1366 THR 96 N 0.0065 0.0014 -0.0029 1367 THR 96 CA 0.0074 0.0012 -0.0012 1368 THR 96 C 0.0091 0.0011 0.0006 1369 THR 96 O 0.0084 0.0006 0.0017 1370 THR 96 CB 0.0055 0.0004 0.0001 1371 THR 96 OG1 0.0036 0.0003 -0.0015 1372 THR 96 CG2 0.0064 0.0003 0.0013 1373 THR 96 H 0.0050 0.0010 -0.0028 1374 THR 96 HA 0.0083 0.0016 -0.0021 1375 THR 96 HB 0.0049 -0.0001 0.0013 1376 THR 96 HG1 0.0025 -0.0001 -0.0008 1377 THR 96 HG21 0.0052 -0.0001 0.0015 1378 THR 96 HG22 0.0072 0.0000 0.0029 1379 THR 96 HG23 0.0076 0.0008 0.0004 1380 ILE 97 N 0.0117 0.0040 0.0174 1381 ILE 97 CA 0.0129 0.0050 0.0188 1382 ILE 97 C 0.0132 0.0050 0.0214 1383 ILE 97 O 0.0140 0.0056 0.0228 1384 ILE 97 CB 0.0147 0.0068 0.0176 1385 ILE 97 CG1 0.0157 0.0077 0.0175 1386 ILE 97 CG2 0.0143 0.0068 0.0151 1387 ILE 97 CD1 0.0174 0.0095 0.0165 1388 ILE 97 H 0.0120 0.0043 0.0174 1389 ILE 97 HA 0.0124 0.0046 0.0188 1390 ILE 97 HB 0.0155 0.0074 0.0186 1391 ILE 97 HG12 0.0149 0.0072 0.0165 1392 ILE 97 HG13 0.0158 0.0077 0.0191 1393 ILE 97 HG21 0.0154 0.0079 0.0144 1394 ILE 97 HG22 0.0136 0.0061 0.0151 1395 ILE 97 HG23 0.0137 0.0063 0.0141 1396 ILE 97 HD11 0.0181 0.0101 0.0167 1397 ILE 97 HD12 0.0181 0.0101 0.0173 1398 ILE 97 HD13 0.0173 0.0096 0.0148 1399 SER 98 N 0.0152 0.0056 0.0195 1400 SER 98 C 0.0108 0.0061 0.0193 1401 SER 98 O 0.0094 0.0061 0.0151 1402 SER 98 CA 0.0148 0.0057 0.0218 1403 SER 98 CB 0.0196 0.0051 0.0221 1404 SER 98 OG 0.0210 0.0048 0.0175 1405 SER 98 H 0.0139 0.0056 0.0166 1406 SER 98 HA 0.0138 0.0059 0.0252 1407 SER 98 HB2 0.0193 0.0052 0.0244 1408 SER 98 HB3 0.0222 0.0048 0.0232 1409 SER 98 HG 0.0189 0.0050 0.0165 1410 SER 98 CA 0.0150 0.0057 0.0217 1411 SER 98 CB 0.0198 0.0051 0.0210 1412 SER 98 OG 0.0200 0.0051 0.0241 1413 SER 98 H 0.0138 0.0057 0.0167 1414 SER 98 HA 0.0143 0.0058 0.0251 1415 SER 98 HB2 0.0225 0.0048 0.0218 1416 SER 98 HB3 0.0201 0.0049 0.0176 1417 SER 98 HG 0.0174 0.0054 0.0239 1418 GLY 99 N 0.0154 0.0139 0.0106 1419 GLY 99 CA 0.0129 0.0142 0.0093 1420 GLY 99 C 0.0127 0.0162 0.0101 1421 GLY 99 O 0.0146 0.0174 0.0116 1422 GLY 99 H 0.0154 0.0152 0.0111 1423 GLY 99 HA2 0.0114 0.0150 0.0089 1424 GLY 99 HA3 0.0127 0.0124 0.0084 1425 PRO 100 N 0.0128 0.0165 0.0044 1426 PRO 100 CA 0.0092 0.0152 0.0054 1427 PRO 100 C 0.0087 0.0122 0.0015 1428 PRO 100 O 0.0055 0.0108 0.0021 1429 PRO 100 CB 0.0047 0.0141 0.0075 1430 PRO 100 CG 0.0055 0.0129 0.0052 1431 PRO 100 CD 0.0106 0.0154 0.0046 1432 PRO 100 HA 0.0099 0.0170 0.0075 1433 PRO 100 HB2 0.0021 0.0123 0.0070 1434 PRO 100 HB3 0.0043 0.0160 0.0106 1435 PRO 100 HG2 0.0048 0.0106 0.0024 1436 PRO 100 HG3 0.0035 0.0131 0.0070 1437 PRO 100 HD2 0.0119 0.0143 0.0019 1438 PRO 100 HD3 0.0110 0.0173 0.0071 1439 ALA 101 N 0.0030 0.0054 -0.0002 1440 ALA 101 CA 0.0047 0.0014 -0.0025 1441 ALA 101 C 0.0065 0.0003 -0.0071 1442 ALA 101 O 0.0068 0.0038 -0.0098 1443 ALA 101 CB 0.0049 0.0025 -0.0038 1444 ALA 101 H 0.0025 0.0080 0.0000 1445 ALA 101 HA 0.0044 -0.0016 -0.0004 1446 ALA 101 HB1 0.0059 -0.0002 -0.0053 1447 ALA 101 HB2 0.0037 0.0031 -0.0009 1448 ALA 101 HB3 0.0051 0.0055 -0.0059 1449 PRO 102 N 0.0112 -0.0118 -0.0327 1450 PRO 102 CA 0.0164 -0.0158 -0.0466 1451 PRO 102 C 0.0155 -0.0145 -0.0522 1452 PRO 102 O 0.0197 -0.0177 -0.0638 1453 PRO 102 CB 0.0276 -0.0267 -0.0438 1454 PRO 102 CG 0.0283 -0.0285 -0.0288 1455 PRO 102 CD 0.0185 -0.0197 -0.0214 1456 PRO 102 HA 0.0139 -0.0129 -0.0534 1457 PRO 102 HB2 0.0322 -0.0306 -0.0502 1458 PRO 102 HB3 0.0289 -0.0279 -0.0446 1459 PRO 102 HG2 0.0290 -0.0292 -0.0287 1460 PRO 102 HG3 0.0341 -0.0343 -0.0246 1461 PRO 102 HD2 0.0165 -0.0184 -0.0139 1462 PRO 102 HD3 0.0190 -0.0205 -0.0177 1463 ARG 103 N 0.0071 -0.0128 -0.0205 1464 ARG 103 CA 0.0056 -0.0111 -0.0245 1465 ARG 103 C 0.0031 -0.0054 -0.0210 1466 ARG 103 O 0.0029 -0.0035 -0.0153 1467 ARG 103 CB 0.0082 -0.0161 -0.0251 1468 ARG 103 CG 0.0105 -0.0185 -0.0184 1469 ARG 103 CD 0.0118 -0.0210 -0.0187 1470 ARG 103 NE 0.0091 -0.0163 -0.0195 1471 ARG 103 CZ 0.0092 -0.0172 -0.0217 1472 ARG 103 NH1 0.0120 -0.0227 -0.0233 1473 ARG 103 NH2 0.0067 -0.0124 -0.0223 1474 ARG 103 H 0.0068 -0.0111 -0.0164 1475 ARG 103 HA 0.0045 -0.0103 -0.0290 1476 ARG 103 HB2 0.0071 -0.0145 -0.0271 1477 ARG 103 HB3 0.0095 -0.0194 -0.0280 1478 ARG 103 HG2 0.0123 -0.0217 -0.0173 1479 ARG 103 HG3 0.0093 -0.0153 -0.0148 1480 ARG 103 HD2 0.0128 -0.0240 -0.0225 1481 ARG 103 HD3 0.0134 -0.0229 -0.0145 1482 ARG 103 HE 0.0073 -0.0126 -0.0184 1483 ARG 103 HH11 0.0137 -0.0258 -0.0228 1484 ARG 103 HH12 0.0120 -0.0232 -0.0247 1485 ARG 103 HH21 0.0049 -0.0088 -0.0211 1486 ARG 103 HH22 0.0067 -0.0129 -0.0237 1487 GLY 104 N -0.0014 -0.0078 -0.0135 1488 GLY 104 CA -0.0022 -0.0038 -0.0123 1489 GLY 104 C -0.0010 -0.0024 -0.0101 1490 GLY 104 O 0.0006 -0.0046 -0.0094 1491 GLY 104 H -0.0026 -0.0087 -0.0154 1492 GLY 104 HA2 -0.0015 -0.0029 -0.0111 1493 GLY 104 HA3 -0.0042 -0.0026 -0.0140 1494 MET 105 N -0.0023 -0.0009 -0.0072 1495 MET 105 CA -0.0020 -0.0010 -0.0057 1496 MET 105 C -0.0013 -0.0017 -0.0060 1497 MET 105 O -0.0014 -0.0018 -0.0071 1498 MET 105 CB -0.0031 0.0001 -0.0049 1499 MET 105 CG -0.0037 0.0007 -0.0044 1500 MET 105 SD -0.0051 0.0020 -0.0038 1501 MET 105 CE -0.0048 0.0020 -0.0023 1502 MET 105 H -0.0030 -0.0003 -0.0075 1503 MET 105 HA -0.0016 -0.0013 -0.0051 1504 MET 105 HB2 -0.0036 0.0005 -0.0057 1505 MET 105 HB3 -0.0029 -0.0000 -0.0041 1506 MET 105 HG2 -0.0032 0.0004 -0.0035 1507 MET 105 HG3 -0.0037 0.0006 -0.0052 1508 MET 105 HE1 -0.0056 0.0027 -0.0019 1509 MET 105 HE2 -0.0045 0.0017 -0.0027 1510 MET 105 HE3 -0.0043 0.0016 -0.0016 1511 TYR 106 N -0.0035 -0.0013 -0.0088 1512 TYR 106 CA -0.0010 -0.0016 -0.0073 1513 TYR 106 C -0.0031 -0.0009 -0.0049 1514 TYR 106 O -0.0050 -0.0004 -0.0024 1515 TYR 106 CB 0.0020 -0.0019 -0.0051 1516 TYR 106 CG 0.0042 -0.0025 -0.0072 1517 TYR 106 CD1 0.0066 -0.0032 -0.0097 1518 TYR 106 CD2 0.0040 -0.0024 -0.0066 1519 TYR 106 CE1 0.0087 -0.0037 -0.0116 1520 TYR 106 CE2 0.0061 -0.0029 -0.0085 1521 TYR 106 CZ 0.0085 -0.0036 -0.0110 1522 TYR 106 OH 0.0105 -0.0042 -0.0128 1523 TYR 106 H -0.0033 -0.0012 -0.0077 1524 TYR 106 HA 0.0000 -0.0020 -0.0093 1525 TYR 106 HB2 0.0009 -0.0014 -0.0031 1526 TYR 106 HB3 0.0036 -0.0020 -0.0042 1527 TYR 106 HD1 0.0069 -0.0033 -0.0101 1528 TYR 106 HD2 0.0024 -0.0019 -0.0049 1529 TYR 106 HE1 0.0103 -0.0042 -0.0134 1530 TYR 106 HE2 0.0059 -0.0029 -0.0080 1531 TYR 106 HH 0.0104 -0.0044 -0.0151 1532 SER 107 N -0.0010 0.0010 -0.0025 1533 SER 107 CA -0.0032 0.0020 -0.0010 1534 SER 107 C -0.0013 0.0018 0.0010 1535 SER 107 O 0.0010 0.0009 -0.0003 1536 SER 107 CB -0.0055 0.0021 -0.0038 1537 SER 107 OG -0.0036 0.0011 -0.0060 1538 SER 107 H 0.0003 0.0004 -0.0040 1539 SER 107 HA -0.0045 0.0027 0.0006 1540 SER 107 HB2 -0.0071 0.0028 -0.0027 1541 SER 107 HB3 -0.0067 0.0022 -0.0050 1542 SER 107 HG -0.0027 0.0010 -0.0050 1543 SER 107 N -0.0009 0.0010 -0.0025 1544 SER 107 CA -0.0031 0.0019 -0.0012 1545 SER 107 C -0.0010 0.0017 0.0012 1546 SER 107 O 0.0017 0.0008 0.0003 1547 SER 107 CB -0.0047 0.0018 -0.0041 1548 SER 107 OG -0.0070 0.0027 -0.0031 1549 SER 107 H 0.0004 0.0003 -0.0040 1550 SER 107 HA -0.0048 0.0026 0.0002 1551 SER 107 HB2 -0.0059 0.0018 -0.0057 1552 SER 107 HB3 -0.0030 0.0010 -0.0053 1553 SER 107 HG -0.0060 0.0026 -0.0018 1554 TYR 108 N 0.0016 0.0028 0.0067 1555 TYR 108 CA 0.0029 0.0030 0.0088 1556 TYR 108 C 0.0033 0.0025 0.0108 1557 TYR 108 O 0.0020 0.0012 0.0113 1558 TYR 108 CB 0.0020 0.0019 0.0096 1559 TYR 108 CG 0.0020 0.0025 0.0081 1560 TYR 108 CD1 0.0008 0.0025 0.0058 1561 TYR 108 CD2 0.0030 0.0030 0.0091 1562 TYR 108 CE1 0.0008 0.0031 0.0045 1563 TYR 108 CE2 0.0031 0.0036 0.0078 1564 TYR 108 CZ 0.0019 0.0036 0.0055 1565 TYR 108 OH 0.0020 0.0042 0.0042 1566 TYR 108 H 0.0004 0.0018 0.0067 1567 TYR 108 HA 0.0041 0.0042 0.0083 1568 TYR 108 HB2 0.0006 0.0008 0.0095 1569 TYR 108 HB3 0.0027 0.0018 0.0112 1570 TYR 108 HD1 0.0000 0.0021 0.0052 1571 TYR 108 HD2 0.0038 0.0029 0.0106 1572 TYR 108 HE1 0.0001 0.0031 0.0030 1573 TYR 108 HE2 0.0038 0.0039 0.0084 1574 TYR 108 HH 0.0020 0.0038 0.0051 1575 ARG 109 N 0.0026 0.0043 0.0174 1576 ARG 109 CA 0.0032 0.0037 0.0198 1577 ARG 109 C 0.0048 0.0015 0.0163 1578 ARG 109 O 0.0038 0.0024 0.0121 1579 ARG 109 CB 0.0001 0.0076 0.0212 1580 ARG 109 CG 0.0003 0.0075 0.0234 1581 ARG 109 CD -0.0028 0.0115 0.0248 1582 ARG 109 NE -0.0026 0.0114 0.0274 1583 ARG 109 CZ -0.0045 0.0137 0.0265 1584 ARG 109 NH1 -0.0067 0.0163 0.0231 1585 ARG 109 NH2 -0.0041 0.0134 0.0291 1586 ARG 109 H 0.0007 0.0066 0.0170 1587 ARG 109 HA 0.0044 0.0023 0.0228 1588 ARG 109 HB2 -0.0008 0.0089 0.0234 1589 ARG 109 HB3 -0.0012 0.0091 0.0182 1590 ARG 109 HG2 0.0011 0.0063 0.0212 1591 ARG 109 HG3 0.0016 0.0060 0.0264 1592 ARG 109 HD2 -0.0037 0.0127 0.0268 1593 ARG 109 HD3 -0.0041 0.0129 0.0218 1594 ARG 109 HE -0.0012 0.0098 0.0296 1595 ARG 109 HH11 -0.0069 0.0165 0.0214 1596 ARG 109 HH12 -0.0079 0.0177 0.0226 1597 ARG 109 HH21 -0.0027 0.0117 0.0313 1598 ARG 109 HH22 -0.0053 0.0149 0.0286 1599 THR 110 N 0.0097 0.0047 0.0099 1600 THR 110 CA 0.0103 0.0020 0.0087 1601 THR 110 C 0.0123 0.0008 0.0101 1602 THR 110 O 0.0136 0.0016 0.0121 1603 THR 110 CB 0.0106 0.0008 0.0082 1604 THR 110 OG1 0.0088 0.0020 0.0071 1605 THR 110 CG2 0.0110 -0.0020 0.0067 1606 THR 110 H 0.0107 0.0051 0.0113 1607 THR 110 HA 0.0092 0.0018 0.0074 1608 THR 110 HB 0.0118 0.0008 0.0095 1609 THR 110 HG1 0.0089 0.0014 0.0068 1610 THR 110 HG21 0.0110 -0.0027 0.0062 1611 THR 110 HG22 0.0124 -0.0029 0.0075 1612 THR 110 HG23 0.0100 -0.0022 0.0054 1613 THR 110 N 0.0097 0.0047 0.0099 1614 THR 110 CA 0.0103 0.0020 0.0087 1615 THR 110 C 0.0123 0.0008 0.0101 1616 THR 110 O 0.0136 0.0016 0.0121 1617 THR 110 CB 0.0106 0.0007 0.0082 1618 THR 110 OG1 0.0123 0.0010 0.0102 1619 THR 110 CG2 0.0087 0.0019 0.0069 1620 THR 110 H 0.0107 0.0051 0.0113 1621 THR 110 HA 0.0092 0.0018 0.0074 1622 THR 110 HB 0.0110 -0.0010 0.0073 1623 THR 110 HG1 0.0124 0.0005 0.0100 1624 THR 110 HG21 0.0090 0.0022 0.0075 1625 THR 110 HG22 0.0081 0.0007 0.0054 1626 THR 110 HG23 0.0077 0.0034 0.0069 1627 LYS 111 N 0.0149 0.0056 0.0008 1628 LYS 111 CA 0.0172 0.0044 0.0005 1629 LYS 111 C 0.0175 0.0025 -0.0008 1630 LYS 111 O 0.0158 0.0018 -0.0016 1631 LYS 111 CB 0.0174 0.0038 0.0001 1632 LYS 111 CG 0.0157 0.0023 -0.0013 1633 LYS 111 CD 0.0160 0.0017 -0.0016 1634 LYS 111 CE 0.0143 0.0002 -0.0030 1635 LYS 111 NZ 0.0146 -0.0004 -0.0034 1636 LYS 111 H 0.0137 0.0048 0.0001 1637 LYS 111 HA 0.0185 0.0053 0.0013 1638 LYS 111 HB2 0.0190 0.0033 0.0000 1639 LYS 111 HB3 0.0169 0.0051 0.0009 1640 LYS 111 HG2 0.0140 0.0028 -0.0012 1641 LYS 111 HG3 0.0161 0.0010 -0.0021 1642 LYS 111 HD2 0.0177 0.0011 -0.0017 1643 LYS 111 HD3 0.0157 0.0030 -0.0008 1644 LYS 111 HE2 0.0126 0.0008 -0.0029 1645 LYS 111 HE3 0.0145 -0.0010 -0.0038 1646 LYS 111 HZ1 0.0150 0.0006 -0.0026 1647 LYS 111 HZ2 0.0133 -0.0009 -0.0040 1648 LYS 111 HZ3 0.0159 -0.0014 -0.0038 1649 VAL 112 N 0.0068 0.0042 -0.0038 1650 VAL 112 CA 0.0063 0.0057 -0.0027 1651 VAL 112 C 0.0059 0.0062 -0.0026 1652 VAL 112 O 0.0050 0.0059 -0.0036 1653 VAL 112 CB 0.0049 0.0066 -0.0030 1654 VAL 112 CG1 0.0045 0.0081 -0.0018 1655 VAL 112 CG2 0.0053 0.0060 -0.0033 1656 VAL 112 H 0.0061 0.0040 -0.0046 1657 VAL 112 HA 0.0071 0.0059 -0.0018 1658 VAL 112 HB 0.0041 0.0064 -0.0039 1659 VAL 112 HG11 0.0036 0.0086 -0.0021 1660 VAL 112 HG12 0.0042 0.0084 -0.0017 1661 VAL 112 HG13 0.0053 0.0082 -0.0010 1662 VAL 112 HG21 0.0044 0.0066 -0.0035 1663 VAL 112 HG22 0.0062 0.0061 -0.0025 1664 VAL 112 HG23 0.0055 0.0051 -0.0041 1665 GLU 113 N 0.0161 0.0145 -0.0161 1666 GLU 113 CA 0.0212 0.0083 -0.0165 1667 GLU 113 C 0.0167 0.0093 -0.0078 1668 GLU 113 O 0.0138 0.0077 0.0019 1669 GLU 113 CB 0.0284 -0.0020 -0.0145 1670 GLU 113 CG 0.0332 -0.0087 -0.0134 1671 GLU 113 CD 0.0400 -0.0189 -0.0107 1672 GLU 113 OE1 0.0444 -0.0213 -0.0163 1673 GLU 113 OE2 0.0410 -0.0244 -0.0028 1674 GLU 113 H 0.0138 0.0140 -0.0096 1675 GLU 113 HA 0.0229 0.0101 -0.0237 1676 GLU 113 HB2 0.0317 -0.0028 -0.0205 1677 GLU 113 HB3 0.0268 -0.0037 -0.0077 1678 GLU 113 HG2 0.0299 -0.0077 -0.0076 1679 GLU 113 HG3 0.0351 -0.0073 -0.0203 1680 ASN 114 N 0.0124 0.0184 -0.0191 1681 ASN 114 CA 0.0020 0.0243 -0.0013 1682 ASN 114 C -0.0105 0.0316 0.0067 1683 ASN 114 O -0.0124 0.0323 0.0254 1684 ASN 114 CB 0.0139 0.0167 0.0153 1685 ASN 114 CG 0.0257 0.0098 0.0072 1686 ASN 114 OD1 0.0209 0.0130 -0.0070 1687 ASN 114 ND2 0.0412 0.0002 0.0165 1688 ASN 114 H 0.0120 0.0189 -0.0297 1689 ASN 114 HA -0.0055 0.0289 -0.0058 1690 ASN 114 HB2 0.0214 0.0120 0.0205 1691 ASN 114 HB3 0.0066 0.0208 0.0265 1692 ASN 114 HD21 0.0484 -0.0040 0.0125 1693 ASN 114 HD22 0.0440 -0.0017 0.0265 1694 ASN 115 N -0.0123 0.0253 0.0008 1695 ASN 115 CA -0.0088 0.0208 -0.0027 1696 ASN 115 C 0.0016 0.0211 -0.0068 1697 ASN 115 O 0.0054 0.0183 -0.0097 1698 ASN 115 CB -0.0117 0.0247 0.0002 1699 ASN 115 CG -0.0120 0.0180 -0.0028 1700 ASN 115 OD1 -0.0147 0.0098 -0.0055 1701 ASN 115 ND2 -0.0090 0.0212 -0.0024 1702 ASN 115 H -0.0152 0.0215 0.0002 1703 ASN 115 HA -0.0116 0.0145 -0.0045 1704 ASN 115 HB2 -0.0178 0.0264 0.0035 1705 ASN 115 HB3 -0.0072 0.0300 0.0009 1706 ASN 115 HD21 -0.0070 0.0269 -0.0006 1707 ASN 115 HD22 -0.0091 0.0177 -0.0041 1708 ASN 115 N -0.0123 0.0253 0.0008 1709 ASN 115 CA -0.0088 0.0207 -0.0028 1710 ASN 115 C 0.0016 0.0209 -0.0069 1711 ASN 115 O 0.0054 0.0179 -0.0098 1712 ASN 115 CB -0.0117 0.0244 0.0001 1713 ASN 115 CG -0.0220 0.0223 0.0033 1714 ASN 115 OD1 -0.0267 0.0154 0.0020 1715 ASN 115 ND2 -0.0256 0.0282 0.0075 1716 ASN 115 H -0.0154 0.0215 0.0002 1717 ASN 115 HA -0.0117 0.0144 -0.0046 1718 ASN 115 HB2 -0.0099 0.0309 0.0024 1719 ASN 115 HB3 -0.0086 0.0216 -0.0024 1720 ASN 115 HD21 -0.0221 0.0329 0.0083 1721 ASN 115 HD22 -0.0315 0.0273 0.0095 1722 THR 116 N 0.0034 0.0141 -0.0070 1723 THR 116 CA 0.0053 0.0133 -0.0062 1724 THR 116 C 0.0050 0.0106 -0.0055 1725 THR 116 O 0.0029 0.0095 -0.0057 1726 THR 116 CB 0.0051 0.0145 -0.0066 1727 THR 116 OG1 0.0056 0.0170 -0.0072 1728 THR 116 CG2 0.0068 0.0135 -0.0059 1729 THR 116 H 0.0019 0.0141 -0.0073 1730 THR 116 HA 0.0069 0.0138 -0.0059 1731 THR 116 HB 0.0035 0.0142 -0.0070 1732 THR 116 HG1 0.0056 0.0177 -0.0075 1733 THR 116 HG21 0.0070 0.0145 -0.0061 1734 THR 116 HG22 0.0062 0.0119 -0.0055 1735 THR 116 HG23 0.0084 0.0133 -0.0054 1736 VAL 117 N 0.0057 0.0039 -0.0023 1737 VAL 117 CA 0.0057 0.0023 -0.0017 1738 VAL 117 C 0.0056 0.0024 -0.0018 1739 VAL 117 O 0.0068 0.0032 -0.0021 1740 VAL 117 CB 0.0073 0.0013 -0.0013 1741 VAL 117 CG1 0.0073 -0.0004 -0.0007 1742 VAL 117 CG2 0.0075 0.0012 -0.0013 1743 VAL 117 H 0.0068 0.0043 -0.0025 1744 VAL 117 HA 0.0047 0.0017 -0.0015 1745 VAL 117 HB 0.0084 0.0018 -0.0016 1746 VAL 117 HG11 0.0083 -0.0011 -0.0005 1747 VAL 117 HG12 0.0075 -0.0004 -0.0007 1748 VAL 117 HG13 0.0062 -0.0009 -0.0005 1749 VAL 117 HG21 0.0084 0.0005 -0.0011 1750 VAL 117 HG22 0.0064 0.0007 -0.0011 1751 VAL 117 HG23 0.0076 0.0023 -0.0017 1752 PHE 118 N 0.0119 0.0032 -0.0015 1753 PHE 118 CA 0.0110 0.0028 -0.0014 1754 PHE 118 C 0.0107 0.0031 -0.0005 1755 PHE 118 O 0.0112 0.0035 -0.0003 1756 PHE 118 CB 0.0109 0.0023 -0.0020 1757 PHE 118 CG 0.0110 0.0019 -0.0029 1758 PHE 118 CD1 0.0103 0.0014 -0.0031 1759 PHE 118 CD2 0.0117 0.0020 -0.0035 1760 PHE 118 CE1 0.0104 0.0010 -0.0039 1761 PHE 118 CE2 0.0118 0.0016 -0.0042 1762 PHE 118 CZ 0.0111 0.0011 -0.0044 1763 PHE 118 H 0.0122 0.0034 -0.0015 1764 PHE 118 HA 0.0107 0.0026 -0.0014 1765 PHE 118 HB2 0.0113 0.0025 -0.0021 1766 PHE 118 HB3 0.0103 0.0021 -0.0019 1767 PHE 118 HD1 0.0098 0.0013 -0.0027 1768 PHE 118 HD2 0.0122 0.0023 -0.0033 1769 PHE 118 HE1 0.0099 0.0006 -0.0040 1770 PHE 118 HE2 0.0123 0.0017 -0.0046 1771 PHE 118 HZ 0.0112 0.0008 -0.0050 1772 VAL 119 N 0.0080 0.0020 0.0050 1773 VAL 119 CA 0.0077 0.0026 0.0055 1774 VAL 119 C 0.0070 0.0036 0.0055 1775 VAL 119 O 0.0066 0.0038 0.0047 1776 VAL 119 CB 0.0076 0.0024 0.0049 1777 VAL 119 CG1 0.0083 0.0015 0.0050 1778 VAL 119 CG2 0.0072 0.0025 0.0038 1779 VAL 119 H 0.0077 0.0020 0.0044 1780 VAL 119 HA 0.0079 0.0025 0.0062 1781 VAL 119 HB 0.0074 0.0028 0.0052 1782 VAL 119 HG11 0.0083 0.0013 0.0046 1783 VAL 119 HG12 0.0086 0.0015 0.0057 1784 VAL 119 HG13 0.0085 0.0011 0.0047 1785 VAL 119 HG21 0.0073 0.0023 0.0034 1786 VAL 119 HG22 0.0074 0.0021 0.0035 1787 VAL 119 HG23 0.0068 0.0031 0.0037 1788 ASP 120 N 0.0072 0.0057 0.0096 1789 ASP 120 CA 0.0024 0.0066 0.0099 1790 ASP 120 C 0.0019 0.0060 0.0122 1791 ASP 120 O 0.0018 0.0048 0.0163 1792 ASP 120 CB -0.0002 0.0063 0.0126 1793 ASP 120 CG -0.0052 0.0071 0.0135 1794 ASP 120 OD1 -0.0067 0.0080 0.0117 1795 ASP 120 OD2 -0.0076 0.0069 0.0159 1796 ASP 120 H 0.0083 0.0048 0.0120 1797 ASP 120 HA 0.0013 0.0077 0.0070 1798 ASP 120 HB2 -0.0000 0.0068 0.0110 1799 ASP 120 HB3 0.0011 0.0052 0.0155 1800 TYR 121 N 0.0057 0.0040 0.0105 1801 TYR 121 CA 0.0070 0.0018 0.0144 1802 TYR 121 C 0.0054 -0.0028 0.0146 1803 TYR 121 O 0.0063 -0.0050 0.0176 1804 TYR 121 CB 0.0088 0.0028 0.0170 1805 TYR 121 CG 0.0077 0.0012 0.0160 1806 TYR 121 CD1 0.0071 0.0034 0.0134 1807 TYR 121 CD2 0.0074 -0.0026 0.0179 1808 TYR 121 CE1 0.0061 0.0020 0.0126 1809 TYR 121 CE2 0.0064 -0.0040 0.0170 1810 TYR 121 CZ 0.0057 -0.0018 0.0144 1811 TYR 121 OH 0.0048 -0.0033 0.0137 1812 TYR 121 H 0.0058 0.0050 0.0100 1813 TYR 121 HA 0.0079 0.0027 0.0154 1814 TYR 121 HB2 0.0098 0.0016 0.0196 1815 TYR 121 HB3 0.0098 0.0057 0.0167 1816 TYR 121 HD1 0.0074 0.0060 0.0122 1817 TYR 121 HD2 0.0078 -0.0041 0.0197 1818 TYR 121 HE1 0.0057 0.0035 0.0108 1819 TYR 121 HE2 0.0061 -0.0066 0.0183 1820 TYR 121 HH 0.0046 -0.0057 0.0149 1821 ALA 122 N -0.0055 -0.0010 0.0241 1822 ALA 122 CA -0.0116 -0.0078 0.0260 1823 ALA 122 C -0.0124 -0.0094 0.0276 1824 ALA 122 O -0.0173 -0.0150 0.0291 1825 ALA 122 CB -0.0176 -0.0102 0.0191 1826 ALA 122 H -0.0059 0.0013 0.0190 1827 ALA 122 HA -0.0116 -0.0103 0.0309 1828 ALA 122 HB1 -0.0215 -0.0149 0.0208 1829 ALA 122 HB2 -0.0169 -0.0089 0.0179 1830 ALA 122 HB3 -0.0182 -0.0083 0.0142 1831 ALA 123 N -0.0020 0.0124 0.0221 1832 ALA 123 CA -0.0030 0.0100 0.0248 1833 ALA 123 C -0.0009 0.0066 0.0243 1834 ALA 123 O -0.0006 0.0045 0.0252 1835 ALA 123 CB -0.0046 0.0101 0.0269 1836 ALA 123 H -0.0009 0.0118 0.0211 1837 ALA 123 HA -0.0038 0.0106 0.0255 1838 ALA 123 HB1 -0.0059 0.0095 0.0288 1839 ALA 123 HB2 -0.0053 0.0122 0.0264 1840 ALA 123 HB3 -0.0037 0.0085 0.0267 1841 ILE 124 N 0.0104 0.0007 0.0090 1842 ILE 124 CA 0.0079 -0.0002 0.0063 1843 ILE 124 C 0.0083 -0.0010 0.0022 1844 ILE 124 O 0.0115 -0.0008 0.0008 1845 ILE 124 CB 0.0091 -0.0001 0.0063 1846 ILE 124 CG1 0.0085 0.0007 0.0105 1847 ILE 124 CG2 0.0066 -0.0010 0.0033 1848 ILE 124 CD1 0.0110 0.0013 0.0112 1849 ILE 124 H 0.0129 0.0010 0.0088 1850 ILE 124 HA 0.0051 -0.0004 0.0072 1851 ILE 124 HB 0.0119 0.0002 0.0055 1852 ILE 124 HG12 0.0057 0.0004 0.0109 1853 ILE 124 HG13 0.0092 0.0013 0.0124 1854 ILE 124 HG21 0.0069 -0.0009 0.0038 1855 ILE 124 HG22 0.0076 -0.0015 0.0006 1856 ILE 124 HG23 0.0038 -0.0014 0.0036 1857 ILE 124 HD11 0.0104 0.0018 0.0139 1858 ILE 124 HD12 0.0138 0.0016 0.0108 1859 ILE 124 HD13 0.0102 0.0008 0.0094 1860 THR 125 N 0.0122 -0.0087 -0.0019 1861 THR 125 CA 0.0096 -0.0166 -0.0173 1862 THR 125 C 0.0099 -0.0200 -0.0232 1863 THR 125 O 0.0037 -0.0150 -0.0180 1864 THR 125 CB -0.0064 -0.0143 -0.0228 1865 THR 125 OG1 -0.0062 -0.0124 -0.0195 1866 THR 125 CG2 -0.0105 -0.0219 -0.0388 1867 THR 125 OXT 0.0164 -0.0282 -0.0336 1868 THR 125 H 0.0047 -0.0041 0.0016 1869 THR 125 HA 0.0177 -0.0213 -0.0208 1870 THR 125 HB -0.0142 -0.0091 -0.0184 1871 THR 125 HG1 -0.0005 -0.0099 -0.0116 1872 THR 125 HG21 -0.0182 -0.0215 -0.0426 1873 THR 125 HG22 -0.0147 -0.0217 -0.0410 1874 THR 125 HG23 -0.0014 -0.0276 -0.0432