1 TRP 343 N 0.0063 -0.0185 0.0278 2 TRP 343 H1 0.0070 -0.0234 0.0297 3 TRP 343 H2 0.0044 -0.0190 0.0228 4 TRP 343 H3 0.0068 -0.0155 0.0294 5 TRP 343 CA 0.0069 -0.0157 0.0296 6 TRP 343 HA 0.0088 -0.0155 0.0348 7 TRP 343 C 0.0057 -0.0085 0.0268 8 TRP 343 O 0.0038 -0.0074 0.0216 9 TRP 343 CB 0.0060 -0.0206 0.0269 10 TRP 343 HB2 0.0040 -0.0211 0.0217 11 TRP 343 HB3 0.0063 -0.0183 0.0278 12 TRP 343 CG 0.0072 -0.0275 0.0300 13 TRP 343 CD1 0.0094 -0.0294 0.0357 14 TRP 343 HD1 0.0105 -0.0266 0.0389 15 TRP 343 CD2 0.0065 -0.0334 0.0277 16 TRP 343 NE1 0.0099 -0.0361 0.0369 17 TRP 343 HE1 0.0114 -0.0389 0.0408 18 TRP 343 CE2 0.0082 -0.0387 0.0322 19 TRP 343 CE3 0.0045 -0.0348 0.0223 20 TRP 343 HE3 0.0030 -0.0310 0.0185 21 TRP 343 CZ2 0.0081 -0.0452 0.0316 22 TRP 343 HZ2 0.0095 -0.0492 0.0351 23 TRP 343 CZ3 0.0043 -0.0413 0.0216 24 TRP 343 HZ3 0.0028 -0.0424 0.0174 25 TRP 343 CH2 0.0061 -0.0463 0.0262 26 TRP 343 HH2 0.0060 -0.0513 0.0256 27 LYS 344 N 0.0070 -0.0033 0.0305 28 LYS 344 HN 0.0087 -0.0042 0.0350 29 LYS 344 CA 0.0059 0.0036 0.0277 30 LYS 344 HA 0.0042 0.0028 0.0232 31 LYS 344 C 0.0051 0.0071 0.0258 32 LYS 344 O 0.0034 0.0114 0.0214 33 LYS 344 CB 0.0074 0.0085 0.0320 34 LYS 344 HB2 0.0063 0.0133 0.0294 35 LYS 344 HB3 0.0077 0.0061 0.0327 36 LYS 344 CG 0.0098 0.0102 0.0387 37 LYS 344 HG2 0.0109 0.0055 0.0415 38 LYS 344 HG3 0.0095 0.0124 0.0381 39 LYS 344 CD 0.0111 0.0154 0.0423 40 LYS 344 HD2 0.0113 0.0134 0.0429 41 LYS 344 HD3 0.0099 0.0201 0.0394 42 LYS 344 CE 0.0135 0.0175 0.0489 43 LYS 344 HE2 0.0141 0.0220 0.0509 44 LYS 344 HE3 0.0134 0.0184 0.0488 45 LYS 344 NZ 0.0154 0.0119 0.0537 46 LYS 344 HZ1 0.0157 0.0112 0.0546 47 LYS 344 HZ2 0.0170 0.0131 0.0581 48 LYS 344 HZ3 0.0149 0.0072 0.0523 49 LYS 345 N 0.0042 0.0058 0.0208 50 LYS 345 HN 0.0040 0.0041 0.0227 51 LYS 345 CA 0.0042 0.0066 0.0192 52 LYS 345 HA 0.0049 0.0093 0.0188 53 LYS 345 C 0.0035 0.0050 0.0157 54 LYS 345 O 0.0036 0.0063 0.0135 55 LYS 345 CB 0.0042 0.0055 0.0216 56 LYS 345 HB2 0.0047 0.0065 0.0241 57 LYS 345 HB3 0.0036 0.0028 0.0220 58 LYS 345 CG 0.0043 0.0064 0.0203 59 LYS 345 HG2 0.0042 0.0053 0.0222 60 LYS 345 HG3 0.0037 0.0052 0.0179 61 LYS 345 CD 0.0052 0.0101 0.0199 62 LYS 345 HD2 0.0058 0.0114 0.0223 63 LYS 345 HD3 0.0053 0.0112 0.0180 64 LYS 345 CE 0.0053 0.0109 0.0187 65 LYS 345 HE2 0.0059 0.0136 0.0183 66 LYS 345 HE3 0.0047 0.0097 0.0163 67 LYS 345 NZ 0.0053 0.0098 0.0212 68 LYS 345 HZ1 0.0057 0.0107 0.0236 69 LYS 345 HZ2 0.0054 0.0107 0.0206 70 LYS 345 HZ3 0.0046 0.0073 0.0214 71 ARG 346 N 0.0027 0.0020 0.0153 72 ARG 346 HN 0.0026 0.0011 0.0172 73 ARG 346 CA 0.0019 0.0003 0.0121 74 ARG 346 HA 0.0018 0.0002 0.0113 75 ARG 346 C 0.0022 0.0024 0.0094 76 ARG 346 O 0.0020 0.0029 0.0065 77 ARG 346 CB 0.0011 -0.0032 0.0124 78 ARG 346 HB2 0.0008 -0.0048 0.0139 79 ARG 346 HB3 0.0012 -0.0032 0.0138 80 ARG 346 CG 0.0003 -0.0050 0.0090 81 ARG 346 HG2 0.0005 -0.0035 0.0076 82 ARG 346 HG3 -0.0002 -0.0073 0.0097 83 ARG 346 CD -0.0001 -0.0056 0.0067 84 ARG 346 HD2 -0.0004 -0.0073 0.0080 85 ARG 346 HD3 0.0004 -0.0033 0.0060 86 ARG 346 NE -0.0008 -0.0072 0.0035 87 ARG 346 HE -0.0010 -0.0077 0.0031 88 ARG 346 CZ -0.0014 -0.0081 0.0009 89 ARG 346 NH1 -0.0013 -0.0079 0.0009 90 ARG 346 HH11 -0.0009 -0.0072 0.0031 91 ARG 346 HH12 -0.0017 -0.0085 -0.0012 92 ARG 346 NH2 -0.0019 -0.0093 -0.0018 93 ARG 346 HH21 -0.0019 -0.0094 -0.0015 94 ARG 346 HH22 -0.0023 -0.0098 -0.0041 95 SER 347 N -0.0000 -0.0009 0.0097 96 SER 347 HN -0.0006 -0.0010 0.0134 97 SER 347 CA 0.0012 0.0024 0.0059 98 SER 347 HA 0.0013 0.0001 0.0023 99 SER 347 C 0.0021 0.0065 0.0048 100 SER 347 O 0.0030 0.0074 0.0003 101 SER 347 CB 0.0014 0.0048 0.0076 102 SER 347 HB2 0.0017 0.0083 0.0099 103 SER 347 HB3 0.0005 0.0021 0.0099 104 SER 347 OG 0.0023 0.0058 0.0032 105 SER 347 HG 0.0031 0.0092 0.0020 106 ARG 348 N 0.0020 0.0091 0.0090 107 ARG 348 HN 0.0013 0.0081 0.0127 108 ARG 348 CA 0.0029 0.0133 0.0084 109 ARG 348 HA 0.0039 0.0156 0.0052 110 ARG 348 C 0.0029 0.0117 0.0066 111 ARG 348 O 0.0037 0.0149 0.0051 112 ARG 348 CB 0.0029 0.0168 0.0133 113 ARG 348 HB2 0.0019 0.0145 0.0165 114 ARG 348 HB3 0.0035 0.0198 0.0128 115 ARG 348 CG 0.0032 0.0193 0.0145 116 ARG 348 HG2 0.0026 0.0165 0.0147 117 ARG 348 HG3 0.0042 0.0218 0.0113 118 ARG 348 CD 0.0030 0.0225 0.0195 119 ARG 348 HD2 0.0038 0.0258 0.0191 120 ARG 348 HD3 0.0021 0.0202 0.0227 121 ARG 348 NE 0.0032 0.0243 0.0208 122 ARG 348 HE 0.0033 0.0230 0.0186 123 ARG 348 CZ 0.0033 0.0278 0.0246 124 ARG 348 NH1 0.0033 0.0300 0.0276 125 ARG 348 HH11 0.0032 0.0293 0.0270 126 ARG 348 HH12 0.0034 0.0327 0.0304 127 ARG 348 NH2 0.0034 0.0291 0.0255 128 ARG 348 HH21 0.0035 0.0278 0.0232 129 ARG 348 HH22 0.0035 0.0318 0.0282 130 ALA 349 N 0.0024 0.0078 0.0058 131 ALA 349 HN 0.0022 0.0063 0.0069 132 ALA 349 CA 0.0023 0.0071 0.0044 133 ALA 349 HA 0.0026 0.0088 0.0046 134 ALA 349 C 0.0022 0.0066 0.0013 135 ALA 349 O 0.0023 0.0078 -0.0004 136 ALA 349 CB 0.0020 0.0046 0.0057 137 ALA 349 HB1 0.0017 0.0028 0.0056 138 ALA 349 HB2 0.0020 0.0050 0.0079 139 ALA 349 HB3 0.0019 0.0041 0.0046 140 SER 350 N 0.0019 0.0047 0.0007 141 SER 350 HN 0.0018 0.0039 0.0022 142 SER 350 CA 0.0017 0.0039 -0.0022 143 SER 350 HA 0.0016 0.0032 -0.0030 144 SER 350 C 0.0020 0.0064 -0.0040 145 SER 350 O 0.0020 0.0066 -0.0064 146 SER 350 CB 0.0014 0.0016 -0.0025 147 SER 350 HB2 0.0015 0.0024 -0.0019 148 SER 350 HB3 0.0011 -0.0001 -0.0012 149 SER 350 OG 0.0011 0.0005 -0.0053 150 SER 350 HG 0.0011 0.0006 -0.0062 151 LEU 351 N 0.0015 0.0056 -0.0017 152 LEU 351 HN 0.0013 0.0053 0.0003 153 LEU 351 CA 0.0022 0.0082 -0.0030 154 LEU 351 HA 0.0023 0.0078 -0.0053 155 LEU 351 C 0.0026 0.0104 -0.0026 156 LEU 351 O 0.0031 0.0128 -0.0034 157 LEU 351 CB 0.0023 0.0093 -0.0021 158 LEU 351 HB2 0.0019 0.0076 -0.0017 159 LEU 351 HB3 0.0023 0.0104 -0.0001 160 LEU 351 CG 0.0029 0.0112 -0.0042 161 LEU 351 HG 0.0032 0.0127 -0.0050 162 LEU 351 CD1 0.0028 0.0096 -0.0067 163 LEU 351 HD11 0.0024 0.0080 -0.0061 164 LEU 351 HD12 0.0027 0.0086 -0.0079 165 LEU 351 HD13 0.0032 0.0109 -0.0082 166 LEU 351 CD2 0.0030 0.0127 -0.0028 167 LEU 351 HD21 0.0027 0.0113 -0.0020 168 LEU 351 HD22 0.0034 0.0141 -0.0042 169 LEU 351 HD23 0.0031 0.0140 -0.0011 170 ARG 352 N 0.0023 0.0096 -0.0015 171 ARG 352 HN 0.0018 0.0076 -0.0010 172 ARG 352 CA 0.0026 0.0116 -0.0011 173 ARG 352 HA 0.0029 0.0135 -0.0004 174 ARG 352 C 0.0030 0.0119 -0.0039 175 ARG 352 O 0.0028 0.0102 -0.0058 176 ARG 352 CB 0.0022 0.0107 0.0011 177 ARG 352 HB2 0.0018 0.0094 0.0026 178 ARG 352 HB3 0.0021 0.0093 0.0000 179 ARG 352 CG 0.0026 0.0131 0.0025 180 ARG 352 HG2 0.0030 0.0150 0.0017 181 ARG 352 HG3 0.0026 0.0129 0.0020 182 ARG 352 CD 0.0023 0.0132 0.0057 183 ARG 352 HD2 0.0018 0.0113 0.0066 184 ARG 352 HD3 0.0023 0.0136 0.0061 185 ARG 352 NE 0.0026 0.0154 0.0069 186 ARG 352 HE 0.0028 0.0160 0.0057 187 ARG 352 CZ 0.0026 0.0169 0.0092 188 ARG 352 NH1 0.0023 0.0162 0.0109 189 ARG 352 HH11 0.0020 0.0145 0.0106 190 ARG 352 HH12 0.0024 0.0174 0.0126 191 ARG 352 NH2 0.0030 0.0192 0.0098 192 ARG 352 HH21 0.0033 0.0198 0.0086 193 ARG 352 HH22 0.0030 0.0203 0.0116 194 ARG 353 N 0.0027 0.0091 -0.0037 195 ARG 353 HN 0.0029 0.0098 -0.0029 196 ARG 353 CA 0.0028 0.0094 -0.0050 197 ARG 353 HA 0.0027 0.0089 -0.0059 198 ARG 353 C 0.0026 0.0089 -0.0047 199 ARG 353 O 0.0028 0.0095 -0.0040 200 ARG 353 CB 0.0034 0.0109 -0.0052 201 ARG 353 HB2 0.0036 0.0115 -0.0042 202 ARG 353 HB3 0.0036 0.0112 -0.0057 203 ARG 353 CG 0.0036 0.0114 -0.0062 204 ARG 353 HG2 0.0036 0.0111 -0.0073 205 ARG 353 HG3 0.0040 0.0124 -0.0062 206 ARG 353 CD 0.0034 0.0108 -0.0059 207 ARG 353 HD2 0.0030 0.0097 -0.0060 208 ARG 353 HD3 0.0036 0.0112 -0.0066 209 ARG 353 NE 0.0035 0.0111 -0.0045 210 ARG 353 HE 0.0031 0.0103 -0.0038 211 ARG 353 CZ 0.0039 0.0123 -0.0040 212 ARG 353 NH1 0.0043 0.0134 -0.0048 213 ARG 353 HH11 0.0044 0.0133 -0.0058 214 ARG 353 HH12 0.0047 0.0142 -0.0044 215 ARG 353 NH2 0.0039 0.0124 -0.0026 216 ARG 353 HH21 0.0035 0.0116 -0.0019 217 ARG 353 HH22 0.0042 0.0133 -0.0022 218 HIS 354 N 0.0022 0.0077 -0.0053 219 HIS 354 HN 0.0020 0.0072 -0.0059 220 HIS 354 CA 0.0019 0.0070 -0.0052 221 HIS 354 HA 0.0022 0.0077 -0.0054 222 HIS 354 C 0.0016 0.0059 -0.0063 223 HIS 354 O 0.0014 0.0056 -0.0070 224 HIS 354 CB 0.0016 0.0064 -0.0037 225 HIS 354 HB2 0.0012 0.0054 -0.0038 226 HIS 354 HB3 0.0016 0.0064 -0.0031 227 HIS 354 CG 0.0019 0.0071 -0.0028 228 HIS 354 ND1 0.0024 0.0085 -0.0027 229 HIS 354 HD1 0.0026 0.0091 -0.0032 230 HIS 354 CD2 0.0017 0.0067 -0.0020 231 HIS 354 HD2 0.0013 0.0058 -0.0017 232 HIS 354 CE1 0.0025 0.0089 -0.0020 233 HIS 354 HE1 0.0029 0.0099 -0.0018 234 HIS 354 NE2 0.0021 0.0078 -0.0015 235 HIS 354 HE2 0.0021 0.0079 -0.0008 236 TYR 355 N 0.0013 0.0039 -0.0077 237 TYR 355 HN 0.0012 0.0040 -0.0072 238 TYR 355 CA 0.0013 0.0032 -0.0083 239 TYR 355 HA 0.0016 0.0035 -0.0088 240 TYR 355 C 0.0011 0.0026 -0.0081 241 TYR 355 O 0.0008 0.0023 -0.0074 242 TYR 355 CB 0.0012 0.0028 -0.0083 243 TYR 355 HB2 0.0012 0.0023 -0.0088 244 TYR 355 HB3 0.0014 0.0033 -0.0085 245 TYR 355 CG 0.0009 0.0025 -0.0075 246 TYR 355 CD1 0.0006 0.0017 -0.0073 247 TYR 355 HD1 0.0006 0.0013 -0.0077 248 TYR 355 CD2 0.0009 0.0030 -0.0070 249 TYR 355 HD2 0.0011 0.0036 -0.0072 250 TYR 355 CE1 0.0003 0.0014 -0.0066 251 TYR 355 HE1 0.0001 0.0008 -0.0064 252 TYR 355 CE2 0.0006 0.0027 -0.0063 253 TYR 355 HE2 0.0005 0.0030 -0.0060 254 TYR 355 CZ 0.0003 0.0019 -0.0061 255 TYR 355 OH -0.0000 0.0016 -0.0055 256 TYR 355 HH 0.0000 0.0019 -0.0053 257 SER 356 N 0.0013 0.0024 -0.0088 258 SER 356 HN 0.0015 0.0027 -0.0093 259 SER 356 CA 0.0011 0.0018 -0.0088 260 SER 356 HA 0.0013 0.0017 -0.0094 261 SER 356 C 0.0010 0.0020 -0.0082 262 SER 356 O 0.0008 0.0014 -0.0079 263 SER 356 CB 0.0008 0.0010 -0.0085 264 SER 356 HB2 0.0006 0.0009 -0.0079 265 SER 356 HB3 0.0009 0.0009 -0.0088 266 SER 356 OG 0.0007 0.0003 -0.0089 267 SER 356 HG 0.0008 0.0004 -0.0088 268 VAL 357 N 0.0015 0.0028 -0.0082 269 VAL 357 HN 0.0015 0.0036 -0.0085 270 VAL 357 CA 0.0015 0.0029 -0.0078 271 VAL 357 HA 0.0014 0.0020 -0.0080 272 VAL 357 C 0.0016 0.0037 -0.0088 273 VAL 357 CB 0.0015 0.0032 -0.0065 274 VAL 357 HB 0.0015 0.0035 -0.0063 275 VAL 357 CG1 0.0016 0.0043 -0.0061 276 VAL 357 HG11 0.0016 0.0041 -0.0060 277 VAL 357 HG12 0.0016 0.0046 -0.0051 278 VAL 357 HG13 0.0017 0.0051 -0.0067 279 VAL 357 CG2 0.0014 0.0021 -0.0056 280 VAL 357 HG21 0.0014 0.0019 -0.0056 281 VAL 357 HG22 0.0014 0.0013 -0.0059 282 VAL 357 HG23 0.0014 0.0023 -0.0047 283 VAL 357 O 0.0016 0.0041 -0.0097 284 ARG 358 N 0.0016 0.0039 -0.0086 285 ARG 358 HN 0.0016 0.0038 -0.0077 286 ARG 358 CA 0.0016 0.0040 -0.0096 287 ARG 358 HA 0.0015 0.0033 -0.0103 288 ARG 358 C 0.0017 0.0052 -0.0103 289 ARG 358 O 0.0017 0.0053 -0.0112 290 ARG 358 CB 0.0015 0.0036 -0.0091 291 ARG 358 HB2 0.0015 0.0028 -0.0085 292 ARG 358 HB3 0.0016 0.0043 -0.0086 293 ARG 358 CG 0.0015 0.0031 -0.0102 294 ARG 358 HG2 0.0014 0.0023 -0.0106 295 ARG 358 HG3 0.0016 0.0038 -0.0108 296 ARG 358 CD 0.0015 0.0027 -0.0096 297 ARG 358 HD2 0.0014 0.0024 -0.0104 298 ARG 358 HD3 0.0015 0.0035 -0.0093 299 ARG 358 NE 0.0014 0.0018 -0.0087 300 ARG 358 HE 0.0013 0.0011 -0.0087 301 ARG 358 CZ 0.0014 0.0017 -0.0077 302 ARG 358 NH1 0.0014 0.0024 -0.0077 303 ARG 358 HH11 0.0015 0.0028 -0.0084 304 ARG 358 HH12 0.0014 0.0024 -0.0069 305 ARG 358 NH2 0.0013 0.0010 -0.0068 306 ARG 358 HH21 0.0013 0.0007 -0.0066 307 ARG 358 HH22 0.0013 0.0010 -0.0060 308 HIS 359 N 0.0014 0.0048 -0.0096 309 HIS 359 HN 0.0014 0.0047 -0.0092 310 HIS 359 CA 0.0014 0.0052 -0.0099 311 HIS 359 HA 0.0015 0.0050 -0.0103 312 HIS 359 C 0.0013 0.0054 -0.0098 313 HIS 359 O 0.0013 0.0058 -0.0098 314 HIS 359 CB 0.0013 0.0056 -0.0099 315 HIS 359 HB2 0.0013 0.0059 -0.0096 316 HIS 359 HB3 0.0013 0.0055 -0.0098 317 HIS 359 CG 0.0014 0.0059 -0.0104 318 HIS 359 ND1 0.0014 0.0059 -0.0107 319 HIS 359 HD1 0.0014 0.0057 -0.0106 320 HIS 359 CD2 0.0014 0.0061 -0.0107 321 HIS 359 HD2 0.0014 0.0062 -0.0107 322 HIS 359 CE1 0.0015 0.0060 -0.0111 323 HIS 359 HE1 0.0015 0.0061 -0.0114 324 HIS 359 NE2 0.0015 0.0062 -0.0112 325 HIS 359 HE2 0.0015 0.0062 -0.0115 326 LEU 360 N 0.0014 0.0050 -0.0097 327 LEU 360 HN 0.0014 0.0046 -0.0097 328 LEU 360 CA 0.0014 0.0051 -0.0097 329 LEU 360 HA 0.0013 0.0055 -0.0098 330 LEU 360 C 0.0015 0.0048 -0.0101 331 LEU 360 O 0.0015 0.0049 -0.0104 332 LEU 360 CB 0.0013 0.0050 -0.0092 333 LEU 360 HB2 0.0013 0.0051 -0.0089 334 LEU 360 HB3 0.0013 0.0046 -0.0091 335 LEU 360 CG 0.0012 0.0053 -0.0090 336 LEU 360 HG 0.0012 0.0052 -0.0086 337 LEU 360 CD1 0.0013 0.0052 -0.0093 338 LEU 360 HD11 0.0013 0.0054 -0.0097 339 LEU 360 HD12 0.0013 0.0048 -0.0093 340 LEU 360 HD13 0.0013 0.0054 -0.0091 341 LEU 360 CD2 0.0012 0.0059 -0.0090 342 LEU 360 HD21 0.0012 0.0060 -0.0093 343 LEU 360 HD22 0.0011 0.0061 -0.0088 344 LEU 360 HD23 0.0011 0.0059 -0.0088 345 ALA 361 N 0.0006 0.0026 -0.0100 346 ALA 361 HN 0.0006 0.0026 -0.0100 347 ALA 361 CA 0.0007 0.0025 -0.0101 348 ALA 361 HA 0.0007 0.0025 -0.0100 349 ALA 361 C 0.0007 0.0025 -0.0104 350 ALA 361 O 0.0009 0.0024 -0.0105 351 ALA 361 CB 0.0009 0.0024 -0.0100 352 ALA 361 HB1 0.0009 0.0023 -0.0101 353 ALA 361 HB2 0.0009 0.0023 -0.0098 354 ALA 361 HB3 0.0010 0.0023 -0.0101 355 ALA 362 N 0.0006 0.0027 -0.0104 356 ALA 362 HN 0.0005 0.0027 -0.0103 357 ALA 362 CA 0.0005 0.0027 -0.0107 358 ALA 362 HA 0.0006 0.0026 -0.0107 359 ALA 362 C 0.0004 0.0029 -0.0107 360 ALA 362 O 0.0003 0.0029 -0.0107 361 ALA 362 CB 0.0005 0.0027 -0.0108 362 ALA 362 HB1 0.0005 0.0028 -0.0107 363 ALA 362 HB2 0.0007 0.0026 -0.0109 364 ALA 362 HB3 0.0004 0.0028 -0.0110 365 ARG 363 N 0.0003 0.0030 -0.0096 366 ARG 363 HN 0.0000 0.0031 -0.0096 367 ARG 363 CA 0.0002 0.0028 -0.0095 368 ARG 363 HA 0.0005 0.0030 -0.0096 369 ARG 363 C 0.0004 0.0023 -0.0093 370 ARG 363 O 0.0006 0.0021 -0.0092 371 ARG 363 CB -0.0003 0.0029 -0.0095 372 ARG 363 HB2 -0.0005 0.0032 -0.0096 373 ARG 363 HB3 -0.0005 0.0026 -0.0094 374 ARG 363 CG -0.0004 0.0032 -0.0096 375 ARG 363 HG2 -0.0004 0.0036 -0.0098 376 ARG 363 HG3 0.0000 0.0031 -0.0096 377 ARG 363 CD -0.0008 0.0030 -0.0095 378 ARG 363 HD2 -0.0011 0.0030 -0.0095 379 ARG 363 HD3 -0.0009 0.0033 -0.0096 380 ARG 363 NE -0.0006 0.0025 -0.0093 381 ARG 363 HE -0.0003 0.0024 -0.0093 382 ARG 363 CZ -0.0010 0.0023 -0.0092 383 ARG 363 NH1 -0.0015 0.0024 -0.0092 384 ARG 363 HH11 -0.0016 0.0027 -0.0094 385 ARG 363 HH12 -0.0017 0.0022 -0.0091 386 ARG 363 NH2 -0.0007 0.0019 -0.0091 387 ARG 363 HH21 -0.0003 0.0018 -0.0091 388 ARG 363 HH22 -0.0009 0.0017 -0.0090 389 GLU 364 N 0.0002 0.0020 -0.0092 390 GLU 364 HN -0.0000 0.0022 -0.0092 391 GLU 364 CA 0.0002 0.0015 -0.0090 392 GLU 364 HA 0.0001 0.0014 -0.0089 393 GLU 364 C 0.0008 0.0014 -0.0089 394 GLU 364 O 0.0010 0.0010 -0.0088 395 GLU 364 CB -0.0001 0.0013 -0.0089 396 GLU 364 HB2 -0.0005 0.0014 -0.0089 397 GLU 364 HB3 -0.0000 0.0014 -0.0089 398 GLU 364 CG -0.0001 0.0007 -0.0086 399 GLU 364 HG2 -0.0005 0.0006 -0.0086 400 GLU 364 HG3 -0.0000 0.0006 -0.0086 401 GLU 364 CD 0.0002 0.0005 -0.0085 402 GLU 364 OE1 0.0003 0.0007 -0.0086 403 GLU 364 OE2 0.0003 0.0000 -0.0084 404 LEU 365 N 0.0001 0.0006 -0.0093 405 LEU 365 HN 0.0001 0.0008 -0.0095 406 LEU 365 CA 0.0005 0.0007 -0.0090 407 LEU 365 HA 0.0006 0.0006 -0.0088 408 LEU 365 C 0.0004 0.0006 -0.0089 409 LEU 365 O 0.0005 0.0005 -0.0086 410 LEU 365 CB 0.0008 0.0010 -0.0093 411 LEU 365 HB2 0.0009 0.0011 -0.0093 412 LEU 365 HB3 0.0007 0.0011 -0.0096 413 LEU 365 CG 0.0011 0.0011 -0.0091 414 LEU 365 HG 0.0011 0.0011 -0.0091 415 LEU 365 CD1 0.0014 0.0010 -0.0087 416 LEU 365 HD11 0.0015 0.0011 -0.0087 417 LEU 365 HD12 0.0012 0.0008 -0.0085 418 LEU 365 HD13 0.0016 0.0011 -0.0086 419 LEU 365 CD2 0.0014 0.0014 -0.0094 420 LEU 365 HD21 0.0015 0.0015 -0.0094 421 LEU 365 HD22 0.0017 0.0015 -0.0093 422 LEU 365 HD23 0.0013 0.0015 -0.0097 423 LEU 366 N 0.0002 0.0006 -0.0092 424 LEU 366 HN 0.0001 0.0007 -0.0095 425 LEU 366 CA 0.0001 0.0005 -0.0091 426 LEU 366 HA 0.0004 0.0006 -0.0090 427 LEU 366 C -0.0002 0.0002 -0.0088 428 LEU 366 O -0.0001 0.0001 -0.0086 429 LEU 366 CB -0.0002 0.0006 -0.0095 430 LEU 366 HB2 -0.0003 0.0006 -0.0097 431 LEU 366 HB3 -0.0004 0.0004 -0.0095 432 LEU 366 CG 0.0001 0.0008 -0.0097 433 LEU 366 HG -0.0002 0.0008 -0.0100 434 LEU 366 CD1 0.0003 0.0008 -0.0095 435 LEU 366 HD11 0.0005 0.0008 -0.0092 436 LEU 366 HD12 0.0000 0.0006 -0.0093 437 LEU 366 HD13 0.0004 0.0010 -0.0096 438 LEU 366 CD2 0.0003 0.0011 -0.0100 439 LEU 366 HD21 0.0006 0.0011 -0.0097 440 LEU 366 HD22 0.0005 0.0013 -0.0101 441 LEU 366 HD23 0.0002 0.0011 -0.0102 442 ASP 367 N 0.0001 0.0000 -0.0084 443 ASP 367 HN -0.0003 0.0003 -0.0087 444 ASP 367 CA -0.0002 -0.0007 -0.0081 445 ASP 367 HA 0.0001 -0.0007 -0.0081 446 ASP 367 C 0.0002 -0.0014 -0.0076 447 ASP 367 O 0.0003 -0.0020 -0.0073 448 ASP 367 CB -0.0011 -0.0009 -0.0084 449 ASP 367 HB2 -0.0014 -0.0015 -0.0082 450 ASP 367 HB3 -0.0014 -0.0008 -0.0085 451 ASP 367 CG -0.0014 -0.0003 -0.0089 452 ASP 367 OD1 -0.0009 0.0001 -0.0089 453 ASP 367 OD2 -0.0022 -0.0002 -0.0092 454 THR 368 N 0.0003 -0.0013 -0.0076 455 THR 368 HN 0.0002 -0.0009 -0.0079 456 THR 368 CA 0.0007 -0.0019 -0.0071 457 THR 368 HA 0.0004 -0.0025 -0.0069 458 THR 368 C 0.0017 -0.0019 -0.0068 459 THR 368 O 0.0020 -0.0025 -0.0064 460 THR 368 CB 0.0007 -0.0020 -0.0071 461 THR 368 HB 0.0011 -0.0023 -0.0068 462 THR 368 OG1 0.0008 -0.0012 -0.0075 463 THR 368 HG1 0.0003 -0.0009 -0.0078 464 THR 368 CG2 -0.0002 -0.0024 -0.0072 465 THR 368 HG21 -0.0007 -0.0021 -0.0076 466 THR 368 HG22 -0.0003 -0.0030 -0.0069 467 THR 368 HG23 -0.0002 -0.0024 -0.0072 468 GLU 369 N 0.0007 -0.0024 -0.0063 469 GLU 369 HN 0.0004 -0.0018 -0.0068 470 GLU 369 CA 0.0017 -0.0022 -0.0060 471 GLU 369 HA 0.0021 -0.0026 -0.0056 472 GLU 369 C 0.0018 -0.0026 -0.0057 473 GLU 369 O 0.0025 -0.0030 -0.0052 474 GLU 369 CB 0.0023 -0.0011 -0.0063 475 GLU 369 HB2 0.0019 -0.0007 -0.0066 476 GLU 369 HB3 0.0022 -0.0008 -0.0065 477 GLU 369 CG 0.0034 -0.0010 -0.0058 478 GLU 369 HG2 0.0037 -0.0015 -0.0054 479 GLU 369 HG3 0.0037 -0.0003 -0.0061 480 GLU 369 CD 0.0037 -0.0010 -0.0057 481 GLU 369 OE1 0.0031 -0.0016 -0.0057 482 GLU 369 OE2 0.0045 -0.0005 -0.0056 483 LYS 370 N 0.0011 -0.0026 -0.0061 484 LYS 370 HN 0.0006 -0.0022 -0.0065 485 LYS 370 CA 0.0010 -0.0031 -0.0058 486 LYS 370 HA 0.0017 -0.0028 -0.0057 487 LYS 370 C 0.0010 -0.0041 -0.0053 488 LYS 370 O 0.0014 -0.0046 -0.0048 489 LYS 370 CB 0.0002 -0.0029 -0.0063 490 LYS 370 HB2 -0.0005 -0.0031 -0.0065 491 LYS 370 HB3 0.0000 -0.0034 -0.0061 492 LYS 370 CG 0.0003 -0.0019 -0.0068 493 LYS 370 HG2 0.0008 -0.0018 -0.0066 494 LYS 370 HG3 0.0006 -0.0014 -0.0069 495 LYS 370 CD -0.0007 -0.0017 -0.0073 496 LYS 370 HD2 -0.0008 -0.0019 -0.0073 497 LYS 370 HD3 -0.0013 -0.0020 -0.0074 498 LYS 370 CE -0.0007 -0.0006 -0.0079 499 LYS 370 HE2 -0.0003 -0.0003 -0.0079 500 LYS 370 HE3 -0.0003 -0.0002 -0.0079 501 LYS 370 NZ -0.0017 -0.0004 -0.0084 502 LYS 370 HZ1 -0.0021 -0.0008 -0.0085 503 LYS 370 HZ2 -0.0017 0.0003 -0.0088 504 LYS 370 HZ3 -0.0020 -0.0007 -0.0085 505 SER 371 N 0.0013 -0.0052 -0.0039 506 SER 371 HN 0.0011 -0.0049 -0.0044 507 SER 371 CA 0.0013 -0.0058 -0.0035 508 SER 371 HA 0.0012 -0.0062 -0.0033 509 SER 371 C 0.0019 -0.0058 -0.0030 510 SER 371 O 0.0021 -0.0063 -0.0026 511 SER 371 CB 0.0007 -0.0061 -0.0039 512 SER 371 HB2 0.0003 -0.0063 -0.0042 513 SER 371 HB3 0.0008 -0.0066 -0.0035 514 SER 371 OG 0.0007 -0.0056 -0.0042 515 SER 371 HG 0.0011 -0.0052 -0.0041 516 PHE 372 N 0.0023 -0.0051 -0.0031 517 PHE 372 HN 0.0021 -0.0047 -0.0035 518 PHE 372 CA 0.0029 -0.0049 -0.0027 519 PHE 372 HA 0.0028 -0.0053 -0.0025 520 PHE 372 C 0.0033 -0.0051 -0.0021 521 PHE 372 O 0.0037 -0.0053 -0.0016 522 PHE 372 CB 0.0031 -0.0042 -0.0029 523 PHE 372 HB2 0.0028 -0.0041 -0.0033 524 PHE 372 HB3 0.0032 -0.0038 -0.0031 525 PHE 372 CG 0.0038 -0.0040 -0.0025 526 PHE 372 CD1 0.0038 -0.0044 -0.0021 527 PHE 372 HD1 0.0035 -0.0049 -0.0022 528 PHE 372 CD2 0.0043 -0.0034 -0.0024 529 PHE 372 HD2 0.0042 -0.0030 -0.0027 530 PHE 372 CE1 0.0044 -0.0042 -0.0017 531 PHE 372 HE1 0.0045 -0.0046 -0.0014 532 PHE 372 CE2 0.0049 -0.0032 -0.0020 533 PHE 372 HE2 0.0053 -0.0027 -0.0019 534 PHE 372 CZ 0.0049 -0.0036 -0.0016 535 PHE 372 HZ 0.0054 -0.0035 -0.0013 536 VAL 373 N 0.0040 -0.0051 -0.0020 537 VAL 373 HN 0.0039 -0.0050 -0.0024 538 VAL 373 CA 0.0041 -0.0053 -0.0014 539 VAL 373 HA 0.0043 -0.0050 -0.0010 540 VAL 373 C 0.0040 -0.0060 -0.0012 541 VAL 373 O 0.0041 -0.0061 -0.0006 542 VAL 373 CB 0.0041 -0.0053 -0.0014 543 VAL 373 HB 0.0039 -0.0056 -0.0018 544 VAL 373 CG1 0.0041 -0.0057 -0.0008 545 VAL 373 HG11 0.0043 -0.0055 -0.0004 546 VAL 373 HG12 0.0040 -0.0062 -0.0008 547 VAL 373 HG13 0.0041 -0.0057 -0.0009 548 VAL 373 CG2 0.0043 -0.0047 -0.0014 549 VAL 373 HG21 0.0044 -0.0044 -0.0010 550 VAL 373 HG22 0.0043 -0.0047 -0.0014 551 VAL 373 HG23 0.0042 -0.0044 -0.0018 552 GLU 374 N 0.0038 -0.0064 -0.0017 553 GLU 374 HN 0.0037 -0.0062 -0.0021 554 GLU 374 CA 0.0037 -0.0070 -0.0016 555 GLU 374 HA 0.0037 -0.0073 -0.0012 556 GLU 374 C 0.0038 -0.0069 -0.0013 557 GLU 374 O 0.0038 -0.0072 -0.0008 558 GLU 374 CB 0.0034 -0.0073 -0.0022 559 GLU 374 HB2 0.0034 -0.0072 -0.0024 560 GLU 374 HB3 0.0034 -0.0071 -0.0025 561 GLU 374 CG 0.0033 -0.0080 -0.0021 562 GLU 374 HG2 0.0033 -0.0083 -0.0018 563 GLU 374 HG3 0.0033 -0.0081 -0.0019 564 GLU 374 CD 0.0031 -0.0083 -0.0028 565 GLU 374 OE1 0.0029 -0.0089 -0.0027 566 GLU 374 OE2 0.0030 -0.0080 -0.0033 567 GLY 375 N 0.0047 -0.0069 0.0001 568 GLY 375 HN 0.0047 -0.0068 -0.0002 569 GLY 375 CA 0.0048 -0.0069 0.0003 570 GLY 375 HA2 0.0047 -0.0072 0.0003 571 GLY 375 HA3 0.0048 -0.0067 0.0001 572 GLY 375 C 0.0050 -0.0068 0.0007 573 GLY 375 O 0.0050 -0.0069 0.0010 574 LEU 376 N 0.0051 -0.0065 0.0008 575 LEU 376 HN 0.0050 -0.0064 0.0005 576 LEU 376 CA 0.0052 -0.0064 0.0011 577 LEU 376 HA 0.0053 -0.0063 0.0013 578 LEU 376 C 0.0052 -0.0067 0.0014 579 LEU 376 O 0.0053 -0.0068 0.0018 580 LEU 376 CB 0.0053 -0.0060 0.0011 581 LEU 376 HB2 0.0053 -0.0061 0.0010 582 LEU 376 HB3 0.0055 -0.0060 0.0014 583 LEU 376 CG 0.0054 -0.0056 0.0009 584 LEU 376 HG 0.0053 -0.0057 0.0006 585 LEU 376 CD1 0.0055 -0.0053 0.0009 586 LEU 376 HD11 0.0056 -0.0053 0.0012 587 LEU 376 HD12 0.0054 -0.0054 0.0007 588 LEU 376 HD13 0.0055 -0.0050 0.0008 589 LEU 376 CD2 0.0055 -0.0055 0.0012 590 LEU 376 HD21 0.0056 -0.0055 0.0015 591 LEU 376 HD22 0.0056 -0.0052 0.0011 592 LEU 376 HD23 0.0055 -0.0057 0.0012 593 GLU 377 N 0.0058 -0.0067 0.0011 594 GLU 377 HN 0.0060 -0.0069 0.0008 595 GLU 377 CA 0.0052 -0.0070 0.0012 596 GLU 377 HA 0.0050 -0.0069 0.0014 597 GLU 377 C 0.0050 -0.0067 0.0016 598 GLU 377 O 0.0046 -0.0066 0.0019 599 GLU 377 CB 0.0051 -0.0075 0.0009 600 GLU 377 HB2 0.0053 -0.0077 0.0006 601 GLU 377 HB3 0.0053 -0.0075 0.0007 602 GLU 377 CG 0.0045 -0.0078 0.0010 603 GLU 377 HG2 0.0044 -0.0080 0.0009 604 GLU 377 HG3 0.0043 -0.0076 0.0013 605 GLU 377 CD 0.0044 -0.0081 0.0008 606 GLU 377 OE1 0.0047 -0.0084 0.0004 607 GLU 377 OE2 0.0041 -0.0081 0.0010 608 PHE 378 N 0.0054 -0.0065 0.0015 609 PHE 378 HN 0.0057 -0.0066 0.0012 610 PHE 378 CA 0.0053 -0.0062 0.0018 611 PHE 378 HA 0.0049 -0.0064 0.0019 612 PHE 378 C 0.0053 -0.0057 0.0022 613 PHE 378 O 0.0050 -0.0055 0.0025 614 PHE 378 CB 0.0057 -0.0062 0.0015 615 PHE 378 HB2 0.0061 -0.0061 0.0014 616 PHE 378 HB3 0.0056 -0.0059 0.0018 617 PHE 378 CG 0.0056 -0.0067 0.0012 618 PHE 378 CD1 0.0052 -0.0071 0.0011 619 PHE 378 HD1 0.0049 -0.0072 0.0012 620 PHE 378 CD2 0.0059 -0.0066 0.0010 621 PHE 378 HD2 0.0062 -0.0063 0.0011 622 PHE 378 CE1 0.0051 -0.0076 0.0008 623 PHE 378 HE1 0.0048 -0.0079 0.0007 624 PHE 378 CE2 0.0058 -0.0071 0.0007 625 PHE 378 HE2 0.0061 -0.0070 0.0006 626 PHE 378 CZ 0.0054 -0.0075 0.0006 627 PHE 378 HZ 0.0054 -0.0079 0.0004 628 LEU 379 N 0.0059 -0.0059 0.0027 629 LEU 379 HN 0.0061 -0.0062 0.0027 630 LEU 379 CA 0.0059 -0.0059 0.0027 631 LEU 379 HA 0.0059 -0.0056 0.0029 632 LEU 379 C 0.0055 -0.0058 0.0025 633 LEU 379 O 0.0054 -0.0056 0.0026 634 LEU 379 CB 0.0061 -0.0061 0.0027 635 LEU 379 HB2 0.0064 -0.0061 0.0029 636 LEU 379 HB3 0.0061 -0.0064 0.0026 637 LEU 379 CG 0.0062 -0.0061 0.0028 638 LEU 379 HG 0.0064 -0.0062 0.0028 639 LEU 379 CD1 0.0059 -0.0062 0.0026 640 LEU 379 HD11 0.0057 -0.0060 0.0025 641 LEU 379 HD12 0.0059 -0.0065 0.0024 642 LEU 379 HD13 0.0060 -0.0062 0.0026 643 LEU 379 CD2 0.0061 -0.0057 0.0030 644 LEU 379 HD21 0.0059 -0.0056 0.0029 645 LEU 379 HD22 0.0062 -0.0057 0.0030 646 LEU 379 HD23 0.0063 -0.0056 0.0032 647 VAL 380 N 0.0054 -0.0061 0.0023 648 VAL 380 HN 0.0056 -0.0063 0.0023 649 VAL 380 CA 0.0051 -0.0061 0.0021 650 VAL 380 HA 0.0051 -0.0060 0.0021 651 VAL 380 C 0.0048 -0.0058 0.0021 652 VAL 380 O 0.0046 -0.0056 0.0021 653 VAL 380 CB 0.0050 -0.0064 0.0018 654 VAL 380 HB 0.0051 -0.0065 0.0018 655 VAL 380 CG1 0.0052 -0.0067 0.0018 656 VAL 380 HG11 0.0052 -0.0066 0.0018 657 VAL 380 HG12 0.0052 -0.0069 0.0016 658 VAL 380 HG13 0.0055 -0.0067 0.0020 659 VAL 380 CG2 0.0047 -0.0064 0.0016 660 VAL 380 HG21 0.0046 -0.0063 0.0016 661 VAL 380 HG22 0.0045 -0.0063 0.0016 662 VAL 380 HG23 0.0046 -0.0067 0.0014 663 THR 381 N 0.0043 -0.0052 0.0011 664 THR 381 HN 0.0048 -0.0055 0.0013 665 THR 381 CA 0.0038 -0.0046 0.0011 666 THR 381 HA 0.0033 -0.0047 0.0006 667 THR 381 C 0.0038 -0.0038 0.0015 668 THR 381 O 0.0032 -0.0032 0.0014 669 THR 381 CB 0.0039 -0.0048 0.0010 670 THR 381 HB 0.0044 -0.0047 0.0014 671 THR 381 OG1 0.0039 -0.0056 0.0006 672 THR 381 HG1 0.0044 -0.0059 0.0008 673 THR 381 CG2 0.0033 -0.0043 0.0008 674 THR 381 HG21 0.0027 -0.0043 0.0004 675 THR 381 HG22 0.0033 -0.0037 0.0012 676 THR 381 HG23 0.0033 -0.0045 0.0008 677 LYS 382 N 0.0044 -0.0036 0.0020 678 LYS 382 HN 0.0049 -0.0040 0.0021 679 LYS 382 CA 0.0044 -0.0028 0.0025 680 LYS 382 HA 0.0040 -0.0024 0.0024 681 LYS 382 C 0.0043 -0.0026 0.0025 682 LYS 382 O 0.0040 -0.0019 0.0027 683 LYS 382 CB 0.0052 -0.0026 0.0031 684 LYS 382 HB2 0.0056 -0.0031 0.0032 685 LYS 382 HB3 0.0052 -0.0021 0.0034 686 LYS 382 CG 0.0053 -0.0025 0.0032 687 LYS 382 HG2 0.0053 -0.0031 0.0029 688 LYS 382 HG3 0.0058 -0.0025 0.0036 689 LYS 382 CD 0.0047 -0.0018 0.0032 690 LYS 382 HD2 0.0042 -0.0020 0.0028 691 LYS 382 HD3 0.0046 -0.0013 0.0033 692 LYS 382 CE 0.0050 -0.0015 0.0036 693 LYS 382 HE2 0.0054 -0.0012 0.0040 694 LYS 382 HE3 0.0052 -0.0019 0.0035 695 LYS 382 NZ 0.0044 -0.0009 0.0035 696 LYS 382 HZ1 0.0041 -0.0005 0.0034 697 LYS 382 HZ2 0.0046 -0.0005 0.0038 698 LYS 382 HZ3 0.0041 -0.0012 0.0031 699 TYR 383 N 0.0052 -0.0032 0.0027 700 TYR 383 HN 0.0054 -0.0037 0.0025 701 TYR 383 CA 0.0053 -0.0031 0.0028 702 TYR 383 HA 0.0051 -0.0025 0.0029 703 TYR 383 C 0.0049 -0.0033 0.0023 704 TYR 383 O 0.0047 -0.0031 0.0023 705 TYR 383 CB 0.0059 -0.0033 0.0032 706 TYR 383 HB2 0.0061 -0.0038 0.0031 707 TYR 383 HB3 0.0059 -0.0032 0.0033 708 TYR 383 CG 0.0062 -0.0029 0.0038 709 TYR 383 CD1 0.0061 -0.0022 0.0041 710 TYR 383 HD1 0.0057 -0.0019 0.0039 711 TYR 383 CD2 0.0067 -0.0033 0.0040 712 TYR 383 HD2 0.0069 -0.0038 0.0038 713 TYR 383 CE1 0.0064 -0.0019 0.0046 714 TYR 383 HE1 0.0063 -0.0013 0.0048 715 TYR 383 CE2 0.0071 -0.0029 0.0045 716 TYR 383 HE2 0.0075 -0.0032 0.0047 717 TYR 383 CZ 0.0069 -0.0022 0.0048 718 TYR 383 OH 0.0073 -0.0019 0.0053 719 TYR 383 HH 0.0077 -0.0022 0.0055 720 MET 384 N 0.0048 -0.0039 0.0018 721 MET 384 HN 0.0050 -0.0042 0.0018 722 MET 384 CA 0.0045 -0.0042 0.0014 723 MET 384 HA 0.0046 -0.0041 0.0015 724 MET 384 C 0.0039 -0.0038 0.0010 725 MET 384 O 0.0035 -0.0037 0.0008 726 MET 384 CB 0.0046 -0.0049 0.0010 727 MET 384 HB2 0.0042 -0.0050 0.0006 728 MET 384 HB3 0.0046 -0.0050 0.0009 729 MET 384 CG 0.0051 -0.0054 0.0012 730 MET 384 HG2 0.0055 -0.0054 0.0015 731 MET 384 HG3 0.0052 -0.0052 0.0013 732 MET 384 SD 0.0051 -0.0063 0.0006 733 MET 384 CE 0.0046 -0.0062 0.0002 734 MET 384 HE1 0.0046 -0.0067 -0.0001 735 MET 384 HE2 0.0047 -0.0060 0.0004 736 MET 384 HE3 0.0042 -0.0059 -0.0000 737 ARG 385 N 0.0034 -0.0030 0.0002 738 ARG 385 HN 0.0040 -0.0033 0.0006 739 ARG 385 CA 0.0025 -0.0022 -0.0004 740 ARG 385 HA 0.0019 -0.0027 -0.0012 741 ARG 385 C 0.0023 -0.0010 -0.0002 742 ARG 385 O 0.0014 -0.0006 -0.0010 743 ARG 385 CB 0.0026 -0.0020 -0.0003 744 ARG 385 HB2 0.0033 -0.0018 0.0004 745 ARG 385 HB3 0.0020 -0.0012 -0.0006 746 ARG 385 CG 0.0024 -0.0032 -0.0009 747 ARG 385 HG2 0.0029 -0.0041 -0.0007 748 ARG 385 HG3 0.0016 -0.0033 -0.0016 749 ARG 385 CD 0.0026 -0.0032 -0.0007 750 ARG 385 HD2 0.0033 -0.0032 0.0000 751 ARG 385 HD3 0.0024 -0.0041 -0.0012 752 ARG 385 NE 0.0019 -0.0021 -0.0010 753 ARG 385 HE 0.0012 -0.0022 -0.0016 754 ARG 385 CZ 0.0022 -0.0009 -0.0003 755 ARG 385 NH1 0.0031 -0.0007 0.0006 756 ARG 385 HH11 0.0037 -0.0014 0.0010 757 ARG 385 HH12 0.0032 0.0002 0.0010 758 ARG 385 NH2 0.0015 0.0001 -0.0007 759 ARG 385 HH21 0.0008 -0.0001 -0.0014 760 ARG 385 HH22 0.0016 0.0010 -0.0002 761 PRO 386 N 0.0030 -0.0002 0.0007 762 PRO 386 CA 0.0030 0.0007 0.0009 763 PRO 386 HA 0.0024 0.0015 0.0007 764 PRO 386 C 0.0028 0.0003 0.0006 765 PRO 386 O 0.0028 0.0011 0.0009 766 PRO 386 CB 0.0039 0.0011 0.0020 767 PRO 386 HB2 0.0046 0.0005 0.0024 768 PRO 386 HB3 0.0039 0.0021 0.0022 769 PRO 386 CG 0.0041 0.0012 0.0021 770 PRO 386 HG2 0.0035 0.0020 0.0019 771 PRO 386 HG3 0.0048 0.0013 0.0029 772 PRO 386 CD 0.0038 -0.0001 0.0015 773 PRO 386 HD2 0.0036 -0.0001 0.0013 774 PRO 386 HD3 0.0044 -0.0010 0.0018 775 LEU 387 N 0.0031 -0.0007 -0.0003 776 LEU 387 HN 0.0033 -0.0015 -0.0003 777 LEU 387 CA 0.0024 -0.0011 -0.0012 778 LEU 387 HA 0.0022 -0.0001 -0.0012 779 LEU 387 C 0.0014 -0.0015 -0.0025 780 LEU 387 O 0.0006 -0.0011 -0.0034 781 LEU 387 CB 0.0030 -0.0025 -0.0009 782 LEU 387 HB2 0.0035 -0.0034 -0.0006 783 LEU 387 HB3 0.0024 -0.0031 -0.0018 784 LEU 387 CG 0.0037 -0.0022 0.0000 785 LEU 387 HG 0.0040 -0.0033 -0.0000 786 LEU 387 CD1 0.0031 -0.0009 -0.0003 787 LEU 387 HD11 0.0030 0.0003 -0.0002 788 LEU 387 HD12 0.0024 -0.0012 -0.0013 789 LEU 387 HD13 0.0036 -0.0009 0.0003 790 LEU 387 CD2 0.0048 -0.0017 0.0014 791 LEU 387 HD21 0.0046 -0.0005 0.0015 792 LEU 387 HD22 0.0053 -0.0017 0.0020 793 LEU 387 HD23 0.0052 -0.0025 0.0016 794 ARG 388 N 0.0014 -0.0024 -0.0028 795 ARG 388 HN 0.0021 -0.0028 -0.0020 796 ARG 388 CA 0.0005 -0.0030 -0.0040 797 ARG 388 HA 0.0002 -0.0036 -0.0045 798 ARG 388 C -0.0005 -0.0017 -0.0048 799 ARG 388 O -0.0014 -0.0018 -0.0059 800 ARG 388 CB 0.0007 -0.0043 -0.0041 801 ARG 388 HB2 0.0014 -0.0052 -0.0036 802 ARG 388 HB3 0.0010 -0.0038 -0.0036 803 ARG 388 CG -0.0003 -0.0050 -0.0054 804 ARG 388 HG2 -0.0006 -0.0054 -0.0059 805 ARG 388 HG3 -0.0009 -0.0041 -0.0059 806 ARG 388 CD 0.0000 -0.0064 -0.0055 807 ARG 388 HD2 0.0004 -0.0061 -0.0049 808 ARG 388 HD3 0.0006 -0.0074 -0.0050 809 ARG 388 NE -0.0009 -0.0071 -0.0067 810 ARG 388 HE -0.0010 -0.0082 -0.0071 811 ARG 388 CZ -0.0016 -0.0065 -0.0074 812 ARG 388 NH1 -0.0016 -0.0052 -0.0070 813 ARG 388 HH11 -0.0010 -0.0046 -0.0061 814 ARG 388 HH12 -0.0022 -0.0048 -0.0076 815 ARG 388 NH2 -0.0025 -0.0072 -0.0086 816 ARG 388 HH21 -0.0026 -0.0082 -0.0090 817 ARG 388 HH22 -0.0031 -0.0068 -0.0092 818 GLN 389 N -0.0016 -0.0015 -0.0055 819 GLN 389 HN -0.0004 -0.0015 -0.0038 820 GLN 389 CA -0.0024 0.0006 -0.0068 821 GLN 389 HA -0.0035 0.0008 -0.0084 822 GLN 389 C -0.0017 0.0036 -0.0060 823 GLN 389 O -0.0020 0.0050 -0.0065 824 GLN 389 CB -0.0028 -0.0005 -0.0073 825 GLN 389 HB2 -0.0036 0.0009 -0.0085 826 GLN 389 HB3 -0.0035 -0.0024 -0.0081 827 GLN 389 CG -0.0013 -0.0008 -0.0052 828 GLN 389 HG2 -0.0009 0.0011 -0.0047 829 GLN 389 HG3 -0.0004 -0.0016 -0.0038 830 GLN 389 CD -0.0017 -0.0028 -0.0056 831 GLN 389 OE1 -0.0017 -0.0053 -0.0054 832 GLN 389 NE2 -0.0020 -0.0017 -0.0061 833 GLN 389 HE21 -0.0022 -0.0030 -0.0063 834 GLN 389 HE22 -0.0020 0.0003 -0.0063 835 PRO 390 N -0.0009 0.0047 -0.0050 836 PRO 390 CA -0.0005 0.0076 -0.0046 837 PRO 390 HA -0.0002 0.0084 -0.0043 838 PRO 390 C -0.0018 0.0093 -0.0065 839 PRO 390 O -0.0032 0.0085 -0.0084 840 PRO 390 CB 0.0009 0.0079 -0.0026 841 PRO 390 HB2 0.0007 0.0088 -0.0030 842 PRO 390 HB3 0.0019 0.0090 -0.0013 843 PRO 390 CG 0.0013 0.0049 -0.0018 844 PRO 390 HG2 0.0021 0.0043 -0.0007 845 PRO 390 HG3 0.0019 0.0047 -0.0010 846 PRO 390 CD -0.0002 0.0034 -0.0039 847 PRO 390 HD2 -0.0001 0.0012 -0.0036 848 PRO 390 HD3 -0.0010 0.0038 -0.0050 849 LEU 391 N -0.0027 0.0182 -0.0068 850 LEU 391 HN -0.0018 0.0192 -0.0037 851 LEU 391 CA -0.0042 0.0214 -0.0092 852 LEU 391 HA -0.0053 0.0211 -0.0126 853 LEU 391 C -0.0039 0.0201 -0.0093 854 LEU 391 O -0.0036 0.0222 -0.0070 855 LEU 391 CB -0.0044 0.0262 -0.0073 856 LEU 391 HB2 -0.0032 0.0263 -0.0038 857 LEU 391 HB3 -0.0053 0.0284 -0.0084 858 LEU 391 CG -0.0053 0.0283 -0.0087 859 LEU 391 HG -0.0066 0.0286 -0.0122 860 LEU 391 CD1 -0.0044 0.0255 -0.0077 861 LEU 391 HD11 -0.0031 0.0247 -0.0043 862 LEU 391 HD12 -0.0045 0.0224 -0.0097 863 LEU 391 HD13 -0.0050 0.0274 -0.0083 864 LEU 391 CD2 -0.0055 0.0331 -0.0065 865 LEU 391 HD21 -0.0043 0.0330 -0.0030 866 LEU 391 HD22 -0.0062 0.0347 -0.0076 867 LEU 391 HD23 -0.0062 0.0352 -0.0074 868 GLU 392 N -0.0043 0.0166 -0.0123 869 GLU 392 HN -0.0042 0.0146 -0.0132 870 GLU 392 CA -0.0048 0.0156 -0.0143 871 GLU 392 HA -0.0055 0.0137 -0.0172 872 GLU 392 C -0.0033 0.0125 -0.0117 873 GLU 392 O -0.0019 0.0126 -0.0077 874 GLU 392 CB -0.0061 0.0200 -0.0156 875 GLU 392 HB2 -0.0070 0.0222 -0.0169 876 GLU 392 HB3 -0.0055 0.0218 -0.0126 877 GLU 392 CG -0.0072 0.0195 -0.0189 878 GLU 392 HG2 -0.0064 0.0183 -0.0174 879 GLU 392 HG3 -0.0082 0.0228 -0.0200 880 GLU 392 CD -0.0079 0.0162 -0.0227 881 GLU 392 OE1 -0.0068 0.0122 -0.0219 882 GLU 392 OE2 -0.0094 0.0179 -0.0260 883 CYS 393 N -0.0038 0.0112 -0.0121 884 CYS 393 HN -0.0046 0.0116 -0.0144 885 CYS 393 CA -0.0030 0.0086 -0.0113 886 CYS 393 HA -0.0022 0.0074 -0.0095 887 CYS 393 C -0.0028 0.0098 -0.0101 888 CYS 393 O -0.0023 0.0080 -0.0095 889 CYS 393 CB -0.0035 0.0064 -0.0140 890 CYS 393 HB2 -0.0029 0.0044 -0.0133 891 CYS 393 HB3 -0.0043 0.0075 -0.0157 892 CYS 393 SG -0.0038 0.0048 -0.0158 893 CYS 393 HG -0.0028 0.0041 -0.0133 894 THR 394 N -0.0032 0.0129 -0.0095 895 THR 394 HN -0.0037 0.0143 -0.0102 896 THR 394 CA -0.0030 0.0145 -0.0080 897 THR 394 HA -0.0029 0.0131 -0.0084 898 THR 394 C -0.0019 0.0147 -0.0046 899 THR 394 O -0.0014 0.0153 -0.0028 900 THR 394 CB -0.0040 0.0178 -0.0090 901 THR 394 HB -0.0037 0.0191 -0.0074 902 THR 394 OG1 -0.0043 0.0193 -0.0091 903 THR 394 HG1 -0.0050 0.0213 -0.0099 904 THR 394 CG2 -0.0050 0.0177 -0.0121 905 THR 394 HG21 -0.0054 0.0165 -0.0138 906 THR 394 HG22 -0.0048 0.0166 -0.0121 907 THR 394 HG23 -0.0057 0.0201 -0.0128 908 LEU 395 N -0.0014 0.0131 -0.0037 909 LEU 395 HN -0.0019 0.0127 -0.0052 910 LEU 395 CA -0.0004 0.0132 -0.0009 911 LEU 395 HA -0.0003 0.0143 0.0004 912 LEU 395 C 0.0007 0.0103 0.0002 913 LEU 395 O 0.0017 0.0100 0.0026 914 LEU 395 CB -0.0007 0.0146 -0.0005 915 LEU 395 HB2 -0.0011 0.0139 -0.0022 916 LEU 395 HB3 0.0002 0.0138 0.0013 917 LEU 395 CG -0.0014 0.0178 -0.0000 918 LEU 395 HG -0.0015 0.0184 0.0001 919 LEU 395 CD1 -0.0007 0.0188 0.0027 920 LEU 395 HD11 -0.0005 0.0185 0.0027 921 LEU 395 HD12 0.0002 0.0178 0.0044 922 LEU 395 HD13 -0.0011 0.0211 0.0031 923 LEU 395 CD2 -0.0026 0.0192 -0.0024 924 LEU 395 HD21 -0.0025 0.0189 -0.0024 925 LEU 395 HD22 -0.0031 0.0214 -0.0021 926 LEU 395 HD23 -0.0031 0.0184 -0.0043 927 ILE 396 N 0.0006 0.0081 -0.0018 928 ILE 396 HN -0.0002 0.0085 -0.0037 929 ILE 396 CA 0.0016 0.0051 -0.0012 930 ILE 396 HA 0.0023 0.0051 0.0007 931 ILE 396 C 0.0021 0.0041 -0.0007 932 ILE 396 O 0.0014 0.0049 -0.0020 933 ILE 396 CB 0.0013 0.0034 -0.0035 934 ILE 396 HB 0.0006 0.0033 -0.0053 935 ILE 396 CG1 0.0007 0.0047 -0.0041 936 ILE 396 HG12 0.0013 0.0049 -0.0023 937 ILE 396 HG13 -0.0001 0.0068 -0.0047 938 ILE 396 CG2 0.0023 0.0003 -0.0028 939 ILE 396 HG21 0.0030 0.0003 -0.0009 940 ILE 396 HG22 0.0027 -0.0007 -0.0025 941 ILE 396 HG23 0.0021 -0.0009 -0.0044 942 ILE 396 CD1 0.0002 0.0031 -0.0065 943 ILE 396 HD11 0.0010 0.0011 -0.0059 944 ILE 396 HD12 -0.0003 0.0027 -0.0083 945 ILE 396 HD13 -0.0003 0.0044 -0.0070 946 GLU 397 N 0.0039 0.0019 0.0002 947 GLU 397 HN 0.0040 0.0017 0.0007 948 GLU 397 CA 0.0042 0.0009 0.0005 949 GLU 397 HA 0.0040 0.0016 0.0004 950 GLU 397 C 0.0045 -0.0004 -0.0007 951 GLU 397 O 0.0047 -0.0011 -0.0011 952 GLU 397 CB 0.0045 0.0004 0.0022 953 GLU 397 HB2 0.0043 0.0014 0.0030 954 GLU 397 HB3 0.0047 -0.0003 0.0024 955 GLU 397 CG 0.0048 -0.0006 0.0028 956 GLU 397 HG2 0.0051 -0.0017 0.0022 957 GLU 397 HG3 0.0050 -0.0008 0.0040 958 GLU 397 CD 0.0046 0.0001 0.0024 959 GLU 397 OE1 0.0045 0.0009 0.0035 960 GLU 397 OE2 0.0046 -0.0002 0.0010 961 ALA 398 N 0.0046 -0.0007 -0.0012 962 ALA 398 HN 0.0045 -0.0004 -0.0005 963 ALA 398 CA 0.0046 -0.0013 -0.0028 964 ALA 398 HA 0.0044 -0.0007 -0.0036 965 ALA 398 C 0.0051 -0.0030 -0.0029 966 ALA 398 O 0.0052 -0.0037 -0.0042 967 ALA 398 CB 0.0045 -0.0011 -0.0033 968 ALA 398 HB1 0.0048 -0.0017 -0.0025 969 ALA 398 HB2 0.0042 0.0001 -0.0032 970 ALA 398 HB3 0.0046 -0.0016 -0.0045 971 SER 399 N 0.0057 -0.0040 -0.0010 972 SER 399 HN 0.0056 -0.0035 -0.0003 973 SER 399 CA 0.0060 -0.0052 -0.0009 974 SER 399 HA 0.0060 -0.0057 -0.0017 975 SER 399 C 0.0061 -0.0055 -0.0006 976 SER 399 O 0.0063 -0.0064 -0.0005 977 SER 399 CB 0.0062 -0.0057 0.0001 978 SER 399 HB2 0.0064 -0.0066 0.0002 979 SER 399 HB3 0.0061 -0.0052 0.0010 980 SER 399 OG 0.0061 -0.0055 -0.0001 981 SER 399 HG 0.0059 -0.0048 -0.0004 982 LEU 400 N 0.0058 -0.0045 -0.0006 983 LEU 400 HN 0.0056 -0.0037 -0.0007 984 LEU 400 CA 0.0059 -0.0046 -0.0004 985 LEU 400 HA 0.0061 -0.0055 -0.0006 986 LEU 400 C 0.0056 -0.0038 -0.0012 987 LEU 400 O 0.0056 -0.0036 -0.0010 988 LEU 400 CB 0.0059 -0.0044 0.0009 989 LEU 400 HB2 0.0061 -0.0047 0.0015 990 LEU 400 HB3 0.0057 -0.0035 0.0011 991 LEU 400 CG 0.0061 -0.0049 0.0013 992 LEU 400 HG 0.0060 -0.0047 0.0007 993 LEU 400 CD1 0.0064 -0.0062 0.0014 994 LEU 400 HD11 0.0065 -0.0065 0.0020 995 LEU 400 HD12 0.0065 -0.0066 0.0005 996 LEU 400 HD13 0.0066 -0.0066 0.0017 997 LEU 400 CD2 0.0061 -0.0044 0.0025 998 LEU 400 HD21 0.0062 -0.0046 0.0032 999 LEU 400 HD22 0.0062 -0.0048 0.0028 1000 LEU 400 HD23 0.0058 -0.0035 0.0025 1001 VAL 401 N 0.0051 -0.0033 -0.0032 1002 VAL 401 HN 0.0051 -0.0036 -0.0036 1003 VAL 401 CA 0.0051 -0.0026 -0.0041 1004 VAL 401 HA 0.0051 -0.0020 -0.0034 1005 VAL 401 C 0.0050 -0.0038 -0.0046 1006 VAL 401 O 0.0048 -0.0039 -0.0059 1007 VAL 401 CB 0.0050 -0.0017 -0.0052 1008 VAL 401 HB 0.0051 -0.0010 -0.0046 1009 VAL 401 CG1 0.0048 -0.0024 -0.0063 1010 VAL 401 HG11 0.0048 -0.0030 -0.0070 1011 VAL 401 HG12 0.0049 -0.0032 -0.0058 1012 VAL 401 HG13 0.0048 -0.0017 -0.0069 1013 VAL 401 CG2 0.0049 -0.0007 -0.0059 1014 VAL 401 HG21 0.0049 -0.0013 -0.0065 1015 VAL 401 HG22 0.0049 0.0001 -0.0065 1016 VAL 401 HG23 0.0050 -0.0002 -0.0051 1017 ASP 402 N 0.0050 -0.0046 -0.0036 1018 ASP 402 HN 0.0051 -0.0043 -0.0026 1019 ASP 402 CA 0.0050 -0.0058 -0.0039 1020 ASP 402 HA 0.0048 -0.0060 -0.0050 1021 ASP 402 C 0.0050 -0.0052 -0.0037 1022 ASP 402 O 0.0051 -0.0041 -0.0033 1023 ASP 402 CB 0.0050 -0.0070 -0.0030 1024 ASP 402 HB2 0.0051 -0.0067 -0.0019 1025 ASP 402 HB3 0.0050 -0.0073 -0.0031 1026 ASP 402 CG 0.0049 -0.0083 -0.0033 1027 ASP 402 OD1 0.0048 -0.0083 -0.0043 1028 ASP 402 OD2 0.0050 -0.0093 -0.0024 1029 LYS 403 N 0.0061 -0.0055 -0.0003 1030 LYS 403 HN 0.0061 -0.0058 -0.0004 1031 LYS 403 CA 0.0061 -0.0052 -0.0001 1032 LYS 403 HA 0.0062 -0.0049 -0.0001 1033 LYS 403 C 0.0059 -0.0053 0.0003 1034 LYS 403 O 0.0058 -0.0053 0.0005 1035 LYS 403 CB 0.0062 -0.0053 -0.0003 1036 LYS 403 HB2 0.0063 -0.0054 -0.0006 1037 LYS 403 HB3 0.0060 -0.0056 -0.0002 1038 LYS 403 CG 0.0062 -0.0050 -0.0002 1039 LYS 403 HG2 0.0061 -0.0049 0.0001 1040 LYS 403 HG3 0.0064 -0.0047 -0.0003 1041 LYS 403 CD 0.0063 -0.0051 -0.0003 1042 LYS 403 HD2 0.0061 -0.0053 -0.0001 1043 LYS 403 HD3 0.0064 -0.0052 -0.0006 1044 LYS 403 CE 0.0063 -0.0048 -0.0003 1045 LYS 403 HE2 0.0064 -0.0049 -0.0003 1046 LYS 403 HE3 0.0065 -0.0045 -0.0004 1047 LYS 403 NZ 0.0062 -0.0046 0.0001 1048 LYS 403 HZ1 0.0060 -0.0048 0.0003 1049 LYS 403 HZ2 0.0062 -0.0044 0.0001 1050 LYS 403 HZ3 0.0062 -0.0044 0.0002 1051 ILE 404 N 0.0058 -0.0052 0.0004 1052 ILE 404 HN 0.0059 -0.0051 0.0003 1053 ILE 404 CA 0.0056 -0.0054 0.0007 1054 ILE 404 HA 0.0056 -0.0057 0.0006 1055 ILE 404 C 0.0054 -0.0055 0.0011 1056 ILE 404 O 0.0052 -0.0058 0.0012 1057 ILE 404 CB 0.0056 -0.0052 0.0009 1058 ILE 404 HB 0.0054 -0.0053 0.0012 1059 ILE 404 CG1 0.0057 -0.0047 0.0010 1060 ILE 404 HG12 0.0059 -0.0046 0.0008 1061 ILE 404 HG13 0.0056 -0.0047 0.0011 1062 ILE 404 CG2 0.0057 -0.0052 0.0007 1063 ILE 404 HG21 0.0059 -0.0051 0.0004 1064 ILE 404 HG22 0.0056 -0.0055 0.0006 1065 ILE 404 HG23 0.0057 -0.0051 0.0008 1066 ILE 404 CD1 0.0056 -0.0045 0.0013 1067 ILE 404 HD11 0.0056 -0.0046 0.0013 1068 ILE 404 HD12 0.0054 -0.0046 0.0016 1069 ILE 404 HD13 0.0057 -0.0042 0.0013 1070 PHE 405 N 0.0059 -0.0058 0.0029 1071 PHE 405 HN 0.0060 -0.0058 0.0030 1072 PHE 405 CA 0.0058 -0.0058 0.0030 1073 PHE 405 HA 0.0057 -0.0058 0.0028 1074 PHE 405 C 0.0057 -0.0056 0.0031 1075 PHE 405 O 0.0057 -0.0056 0.0033 1076 PHE 405 CB 0.0059 -0.0058 0.0030 1077 PHE 405 HB2 0.0061 -0.0058 0.0031 1078 PHE 405 HB3 0.0058 -0.0057 0.0031 1079 PHE 405 CG 0.0060 -0.0059 0.0028 1080 PHE 405 CD1 0.0059 -0.0059 0.0026 1081 PHE 405 HD1 0.0057 -0.0059 0.0026 1082 PHE 405 CD2 0.0061 -0.0059 0.0029 1083 PHE 405 HD2 0.0062 -0.0058 0.0030 1084 PHE 405 CE1 0.0059 -0.0060 0.0025 1085 PHE 405 HE1 0.0058 -0.0060 0.0023 1086 PHE 405 CE2 0.0062 -0.0060 0.0027 1087 PHE 405 HE2 0.0063 -0.0060 0.0028 1088 PHE 405 CZ 0.0061 -0.0060 0.0025 1089 PHE 405 HZ 0.0061 -0.0061 0.0024 1090 TYR 406 N 0.0055 -0.0056 0.0031 1091 TYR 406 HN 0.0055 -0.0056 0.0030 1092 TYR 406 CA 0.0054 -0.0055 0.0033 1093 TYR 406 HA 0.0053 -0.0054 0.0034 1094 TYR 406 C 0.0055 -0.0054 0.0035 1095 TYR 406 O 0.0057 -0.0055 0.0035 1096 TYR 406 CB 0.0052 -0.0054 0.0033 1097 TYR 406 HB2 0.0053 -0.0055 0.0033 1098 TYR 406 HB3 0.0051 -0.0054 0.0035 1099 TYR 406 CG 0.0050 -0.0054 0.0032 1100 TYR 406 CD1 0.0049 -0.0055 0.0030 1101 TYR 406 HD1 0.0050 -0.0055 0.0030 1102 TYR 406 CD2 0.0048 -0.0054 0.0032 1103 TYR 406 HD2 0.0049 -0.0053 0.0033 1104 TYR 406 CE1 0.0047 -0.0055 0.0029 1105 TYR 406 HE1 0.0046 -0.0055 0.0028 1106 TYR 406 CE2 0.0046 -0.0054 0.0031 1107 TYR 406 HE2 0.0045 -0.0053 0.0031 1108 TYR 406 CZ 0.0046 -0.0054 0.0029 1109 TYR 406 OH 0.0044 -0.0054 0.0028 1110 TYR 406 HH 0.0044 -0.0055 0.0027 1111 ARG 407 N 0.0056 -0.0049 0.0035 1112 ARG 407 HN 0.0054 -0.0046 0.0034 1113 ARG 407 CA 0.0058 -0.0049 0.0038 1114 ARG 407 HA 0.0060 -0.0051 0.0040 1115 ARG 407 C 0.0057 -0.0050 0.0036 1116 ARG 407 O 0.0057 -0.0048 0.0037 1117 ARG 407 CB 0.0057 -0.0044 0.0041 1118 ARG 407 HB2 0.0054 -0.0041 0.0039 1119 ARG 407 HB3 0.0058 -0.0044 0.0044 1120 ARG 407 CG 0.0057 -0.0042 0.0043 1121 ARG 407 HG2 0.0056 -0.0039 0.0045 1122 ARG 407 HG3 0.0055 -0.0042 0.0040 1123 ARG 407 CD 0.0060 -0.0045 0.0046 1124 ARG 407 HD2 0.0062 -0.0047 0.0047 1125 ARG 407 HD3 0.0061 -0.0043 0.0049 1126 ARG 407 NE 0.0061 -0.0048 0.0043 1127 ARG 407 HE 0.0061 -0.0051 0.0042 1128 ARG 407 CZ 0.0060 -0.0048 0.0043 1129 ARG 407 NH1 0.0060 -0.0044 0.0046 1130 ARG 407 HH11 0.0060 -0.0041 0.0048 1131 ARG 407 HH12 0.0060 -0.0043 0.0046 1132 ARG 407 NH2 0.0060 -0.0051 0.0041 1133 ARG 407 HH21 0.0061 -0.0054 0.0039 1134 ARG 407 HH22 0.0060 -0.0050 0.0041 1135 ILE 408 N 0.0057 -0.0054 0.0032 1136 ILE 408 HN 0.0057 -0.0055 0.0031 1137 ILE 408 CA 0.0056 -0.0055 0.0030 1138 ILE 408 HA 0.0054 -0.0053 0.0029 1139 ILE 408 C 0.0059 -0.0057 0.0033 1140 ILE 408 O 0.0058 -0.0057 0.0032 1141 ILE 408 CB 0.0056 -0.0059 0.0026 1142 ILE 408 HB 0.0057 -0.0062 0.0026 1143 ILE 408 CG1 0.0056 -0.0062 0.0025 1144 ILE 408 HG12 0.0056 -0.0064 0.0022 1145 ILE 408 HG13 0.0055 -0.0059 0.0025 1146 ILE 408 CG2 0.0052 -0.0058 0.0022 1147 ILE 408 HG21 0.0051 -0.0055 0.0021 1148 ILE 408 HG22 0.0052 -0.0056 0.0023 1149 ILE 408 HG23 0.0052 -0.0061 0.0019 1150 ILE 408 CD1 0.0060 -0.0064 0.0028 1151 ILE 408 HD11 0.0061 -0.0066 0.0029 1152 ILE 408 HD12 0.0060 -0.0062 0.0031 1153 ILE 408 HD13 0.0060 -0.0067 0.0027 1154 PRO 409 N 0.0058 -0.0055 0.0031 1155 PRO 409 CA 0.0059 -0.0057 0.0034 1156 PRO 409 HA 0.0059 -0.0061 0.0031 1157 PRO 409 C 0.0059 -0.0052 0.0034 1158 PRO 409 O 0.0059 -0.0053 0.0035 1159 PRO 409 CB 0.0062 -0.0059 0.0040 1160 PRO 409 HB2 0.0064 -0.0058 0.0043 1161 PRO 409 HB3 0.0063 -0.0064 0.0040 1162 PRO 409 CG 0.0062 -0.0056 0.0041 1163 PRO 409 HG2 0.0064 -0.0058 0.0044 1164 PRO 409 HG3 0.0062 -0.0051 0.0042 1165 PRO 409 CD 0.0060 -0.0057 0.0035 1166 PRO 409 HD2 0.0060 -0.0061 0.0033 1167 PRO 409 HD3 0.0059 -0.0053 0.0034 1168 GLU 410 N 0.0058 -0.0046 0.0035 1169 GLU 410 HN 0.0058 -0.0045 0.0034 1170 GLU 410 CA 0.0058 -0.0040 0.0036 1171 GLU 410 HA 0.0059 -0.0042 0.0038 1172 GLU 410 C 0.0055 -0.0039 0.0030 1173 GLU 410 O 0.0055 -0.0037 0.0030 1174 GLU 410 CB 0.0058 -0.0035 0.0039 1175 GLU 410 HB2 0.0058 -0.0035 0.0038 1176 GLU 410 HB3 0.0057 -0.0031 0.0037 1177 GLU 410 CG 0.0061 -0.0034 0.0045 1178 GLU 410 HG2 0.0062 -0.0031 0.0047 1179 GLU 410 HG3 0.0063 -0.0039 0.0047 1180 GLU 410 CD 0.0061 -0.0032 0.0046 1181 GLU 410 OE1 0.0060 -0.0026 0.0045 1182 GLU 410 OE2 0.0063 -0.0035 0.0048 1183 ILE 411 N 0.0056 -0.0041 0.0022 1184 ILE 411 HN 0.0056 -0.0043 0.0024 1185 ILE 411 CA 0.0053 -0.0040 0.0017 1186 ILE 411 HA 0.0053 -0.0036 0.0016 1187 ILE 411 C 0.0051 -0.0044 0.0015 1188 ILE 411 O 0.0050 -0.0042 0.0013 1189 ILE 411 CB 0.0051 -0.0042 0.0015 1190 ILE 411 HB 0.0050 -0.0047 0.0016 1191 ILE 411 CG1 0.0052 -0.0039 0.0016 1192 ILE 411 HG12 0.0053 -0.0035 0.0016 1193 ILE 411 HG13 0.0054 -0.0040 0.0020 1194 ILE 411 CG2 0.0048 -0.0041 0.0009 1195 ILE 411 HG21 0.0048 -0.0037 0.0008 1196 ILE 411 HG22 0.0046 -0.0043 0.0008 1197 ILE 411 HG23 0.0046 -0.0043 0.0008 1198 ILE 411 CD1 0.0051 -0.0040 0.0014 1199 ILE 411 HD11 0.0048 -0.0040 0.0010 1200 ILE 411 HD12 0.0050 -0.0045 0.0014 1201 ILE 411 HD13 0.0052 -0.0038 0.0015 1202 LEU 412 N 0.0051 -0.0049 0.0018 1203 LEU 412 HN 0.0052 -0.0050 0.0020 1204 LEU 412 CA 0.0049 -0.0053 0.0016 1205 LEU 412 HA 0.0047 -0.0053 0.0013 1206 LEU 412 C 0.0050 -0.0050 0.0017 1207 LEU 412 O 0.0049 -0.0049 0.0014 1208 LEU 412 CB 0.0049 -0.0058 0.0019 1209 LEU 412 HB2 0.0049 -0.0060 0.0018 1210 LEU 412 HB3 0.0052 -0.0058 0.0023 1211 LEU 412 CG 0.0048 -0.0062 0.0019 1212 LEU 412 HG 0.0049 -0.0061 0.0020 1213 LEU 412 CD1 0.0045 -0.0063 0.0014 1214 LEU 412 HD11 0.0043 -0.0065 0.0012 1215 LEU 412 HD12 0.0044 -0.0060 0.0011 1216 LEU 412 HD13 0.0044 -0.0066 0.0013 1217 LEU 412 CD2 0.0049 -0.0068 0.0022 1218 LEU 412 HD21 0.0047 -0.0069 0.0021 1219 LEU 412 HD22 0.0048 -0.0071 0.0021 1220 LEU 412 HD23 0.0051 -0.0067 0.0025 1221 ALA 413 N 0.0053 -0.0051 0.0019 1222 ALA 413 HN 0.0055 -0.0052 0.0022 1223 ALA 413 CA 0.0055 -0.0048 0.0021 1224 ALA 413 HA 0.0054 -0.0052 0.0021 1225 ALA 413 C 0.0053 -0.0040 0.0016 1226 ALA 413 O 0.0052 -0.0039 0.0014 1227 ALA 413 CB 0.0060 -0.0045 0.0029 1228 ALA 413 HB1 0.0061 -0.0041 0.0029 1229 ALA 413 HB2 0.0061 -0.0051 0.0032 1230 ALA 413 HB3 0.0061 -0.0043 0.0030 1231 HIS 414 N 0.0053 -0.0034 0.0014 1232 HIS 414 HN 0.0054 -0.0035 0.0016 1233 HIS 414 CA 0.0052 -0.0027 0.0010 1234 HIS 414 HA 0.0054 -0.0024 0.0013 1235 HIS 414 C 0.0048 -0.0029 0.0003 1236 HIS 414 O 0.0047 -0.0025 -0.0000 1237 HIS 414 CB 0.0053 -0.0021 0.0009 1238 HIS 414 HB2 0.0052 -0.0015 0.0006 1239 HIS 414 HB3 0.0050 -0.0024 0.0006 1240 HIS 414 CG 0.0057 -0.0019 0.0016 1241 HIS 414 ND1 0.0057 -0.0016 0.0015 1242 HIS 414 HD1 0.0054 -0.0017 0.0011 1243 HIS 414 CD2 0.0061 -0.0019 0.0023 1244 HIS 414 HD2 0.0062 -0.0021 0.0026 1245 HIS 414 CE1 0.0061 -0.0015 0.0022 1246 HIS 414 HE1 0.0062 -0.0014 0.0023 1247 HIS 414 NE2 0.0063 -0.0017 0.0026 1248 HIS 414 HE2 0.0066 -0.0018 0.0032 1249 HIS 415 N 0.0049 -0.0030 -0.0005 1250 HIS 415 HN 0.0050 -0.0033 -0.0000 1251 HIS 415 CA 0.0043 -0.0032 -0.0013 1252 HIS 415 HA 0.0043 -0.0025 -0.0018 1253 HIS 415 C 0.0039 -0.0037 -0.0015 1254 HIS 415 O 0.0035 -0.0035 -0.0022 1255 HIS 415 CB 0.0039 -0.0037 -0.0014 1256 HIS 415 HB2 0.0034 -0.0040 -0.0019 1257 HIS 415 HB3 0.0040 -0.0042 -0.0008 1258 HIS 415 CG 0.0041 -0.0031 -0.0016 1259 HIS 415 ND1 0.0037 -0.0029 -0.0024 1260 HIS 415 CD2 0.0047 -0.0026 -0.0012 1261 HIS 415 HD2 0.0051 -0.0026 -0.0006 1262 HIS 415 CE1 0.0040 -0.0024 -0.0024 1263 HIS 415 HE1 0.0038 -0.0021 -0.0029 1264 HIS 415 NE2 0.0046 -0.0022 -0.0017 1265 HIS 415 HE2 0.0049 -0.0018 -0.0015 1266 GLN 416 N 0.0039 -0.0043 -0.0008 1267 GLN 416 HN 0.0043 -0.0044 -0.0003 1268 GLN 416 CA 0.0036 -0.0049 -0.0009 1269 GLN 416 HA 0.0031 -0.0052 -0.0014 1270 GLN 416 C 0.0037 -0.0045 -0.0010 1271 GLN 416 O 0.0033 -0.0047 -0.0014 1272 GLN 416 CB 0.0037 -0.0057 -0.0001 1273 GLN 416 HB2 0.0035 -0.0061 -0.0001 1274 GLN 416 HB3 0.0042 -0.0055 0.0004 1275 GLN 416 CG 0.0033 -0.0064 -0.0001 1276 GLN 416 HG2 0.0035 -0.0061 -0.0001 1277 GLN 416 HG3 0.0035 -0.0068 0.0005 1278 GLN 416 CD 0.0026 -0.0069 -0.0007 1279 GLN 416 OE1 0.0023 -0.0076 -0.0005 1280 GLN 416 NE2 0.0024 -0.0065 -0.0014 1281 GLN 416 HE21 0.0019 -0.0068 -0.0019 1282 GLN 416 HE22 0.0026 -0.0059 -0.0016 1283 VAL 417 N 0.0037 -0.0041 -0.0015 1284 VAL 417 HN 0.0041 -0.0040 -0.0011 1285 VAL 417 CA 0.0040 -0.0037 -0.0015 1286 VAL 417 HA 0.0036 -0.0042 -0.0017 1287 VAL 417 C 0.0041 -0.0027 -0.0023 1288 VAL 417 O 0.0040 -0.0024 -0.0027 1289 VAL 417 CB 0.0048 -0.0035 -0.0005 1290 VAL 417 HB 0.0052 -0.0030 -0.0003 1291 VAL 417 CG1 0.0047 -0.0045 0.0003 1292 VAL 417 HG11 0.0043 -0.0050 0.0002 1293 VAL 417 HG12 0.0052 -0.0044 0.0010 1294 VAL 417 HG13 0.0045 -0.0049 0.0003 1295 VAL 417 CG2 0.0051 -0.0031 -0.0004 1296 VAL 417 HG21 0.0047 -0.0035 -0.0007 1297 VAL 417 HG22 0.0052 -0.0023 -0.0009 1298 VAL 417 HG23 0.0056 -0.0030 0.0003 1299 LEU 418 N 0.0043 -0.0021 -0.0025 1300 LEU 418 HN 0.0044 -0.0023 -0.0022 1301 LEU 418 CA 0.0045 -0.0011 -0.0032 1302 LEU 418 HA 0.0045 -0.0009 -0.0033 1303 LEU 418 C 0.0039 -0.0010 -0.0041 1304 LEU 418 O 0.0034 -0.0009 -0.0049 1305 LEU 418 CB 0.0052 -0.0003 -0.0027 1306 LEU 418 HB2 0.0053 -0.0003 -0.0026 1307 LEU 418 HB3 0.0053 0.0005 -0.0032 1308 LEU 418 CG 0.0059 -0.0003 -0.0017 1309 LEU 418 HG 0.0058 -0.0010 -0.0012 1310 LEU 418 CD1 0.0066 0.0005 -0.0013 1311 LEU 418 HD11 0.0068 0.0012 -0.0018 1312 LEU 418 HD12 0.0065 0.0002 -0.0012 1313 LEU 418 HD13 0.0071 0.0004 -0.0006 1314 LEU 418 CD2 0.0060 0.0000 -0.0018 1315 LEU 418 HD21 0.0061 0.0007 -0.0023 1316 LEU 418 HD22 0.0065 0.0000 -0.0011 1317 LEU 418 HD23 0.0055 -0.0005 -0.0021 1318 LEU 419 N 0.0036 -0.0006 -0.0047 1319 LEU 419 HN 0.0038 -0.0009 -0.0044 1320 LEU 419 CA 0.0033 -0.0004 -0.0052 1321 LEU 419 HA 0.0034 0.0002 -0.0054 1322 LEU 419 C 0.0027 -0.0007 -0.0056 1323 LEU 419 O 0.0024 -0.0003 -0.0061 1324 LEU 419 CB 0.0033 -0.0006 -0.0051 1325 LEU 419 HB2 0.0037 -0.0005 -0.0047 1326 LEU 419 HB3 0.0031 -0.0011 -0.0050 1327 LEU 419 CG 0.0031 -0.0002 -0.0055 1328 LEU 419 HG 0.0031 0.0003 -0.0057 1329 LEU 419 CD1 0.0034 -0.0001 -0.0053 1330 LEU 419 HD11 0.0033 -0.0005 -0.0050 1331 LEU 419 HD12 0.0038 0.0002 -0.0050 1332 LEU 419 HD13 0.0032 0.0002 -0.0056 1333 LEU 419 CD2 0.0025 -0.0005 -0.0059 1334 LEU 419 HD21 0.0024 -0.0010 -0.0058 1335 LEU 419 HD22 0.0023 -0.0002 -0.0062 1336 LEU 419 HD23 0.0022 -0.0006 -0.0061 1337 THR 420 N 0.0025 -0.0014 -0.0055 1338 THR 420 HN 0.0028 -0.0016 -0.0051 1339 THR 420 CA 0.0020 -0.0017 -0.0058 1340 THR 420 HA 0.0017 -0.0016 -0.0062 1341 THR 420 C 0.0019 -0.0014 -0.0060 1342 THR 420 O 0.0015 -0.0015 -0.0065 1343 THR 420 CB 0.0019 -0.0025 -0.0056 1344 THR 420 HB 0.0015 -0.0027 -0.0058 1345 THR 420 OG1 0.0023 -0.0027 -0.0051 1346 THR 420 HG1 0.0026 -0.0026 -0.0048 1347 THR 420 CG2 0.0018 -0.0029 -0.0055 1348 THR 420 HG21 0.0021 -0.0027 -0.0052 1349 THR 420 HG22 0.0014 -0.0028 -0.0059 1350 THR 420 HG23 0.0017 -0.0034 -0.0054 1351 THR 421 N 0.0015 -0.0017 -0.0067 1352 THR 421 HN 0.0019 -0.0017 -0.0062 1353 THR 421 CA 0.0013 -0.0015 -0.0072 1354 THR 421 HA 0.0007 -0.0019 -0.0074 1355 THR 421 C 0.0014 -0.0007 -0.0079 1356 THR 421 O 0.0011 -0.0004 -0.0085 1357 THR 421 CB 0.0017 -0.0014 -0.0067 1358 THR 421 HB 0.0014 -0.0014 -0.0071 1359 THR 421 OG1 0.0024 -0.0007 -0.0067 1360 THR 421 HG1 0.0027 -0.0006 -0.0064 1361 THR 421 CG2 0.0018 -0.0021 -0.0059 1362 THR 421 HG21 0.0022 -0.0021 -0.0055 1363 THR 421 HG22 0.0013 -0.0026 -0.0059 1364 THR 421 HG23 0.0021 -0.0020 -0.0056 1365 LEU 422 N 0.0020 -0.0002 -0.0077 1366 LEU 422 HN 0.0022 -0.0004 -0.0072 1367 LEU 422 CA 0.0022 0.0006 -0.0083 1368 LEU 422 HA 0.0021 0.0009 -0.0086 1369 LEU 422 C 0.0016 0.0006 -0.0089 1370 LEU 422 O 0.0013 0.0010 -0.0097 1371 LEU 422 CB 0.0029 0.0011 -0.0079 1372 LEU 422 HB2 0.0031 0.0008 -0.0074 1373 LEU 422 HB3 0.0029 0.0015 -0.0083 1374 LEU 422 CG 0.0035 0.0017 -0.0079 1375 LEU 422 HG 0.0033 0.0021 -0.0084 1376 LEU 422 CD1 0.0036 0.0013 -0.0073 1377 LEU 422 HD11 0.0038 0.0009 -0.0067 1378 LEU 422 HD12 0.0032 0.0009 -0.0075 1379 LEU 422 HD13 0.0041 0.0017 -0.0072 1380 LEU 422 CD2 0.0042 0.0023 -0.0076 1381 LEU 422 HD21 0.0044 0.0020 -0.0070 1382 LEU 422 HD22 0.0046 0.0027 -0.0076 1383 LEU 422 HD23 0.0041 0.0026 -0.0080 1384 SER 423 N 0.0014 0.0006 -0.0094 1385 SER 423 HN 0.0015 0.0005 -0.0090 1386 SER 423 CA 0.0011 0.0006 -0.0097 1387 SER 423 HA 0.0013 0.0009 -0.0099 1388 SER 423 C 0.0006 0.0005 -0.0101 1389 SER 423 O 0.0004 0.0007 -0.0105 1390 SER 423 CB 0.0010 0.0003 -0.0092 1391 SER 423 HB2 0.0006 0.0002 -0.0094 1392 SER 423 HB3 0.0009 0.0000 -0.0089 1393 SER 423 OG 0.0014 0.0004 -0.0090 1394 SER 423 HG 0.0013 0.0003 -0.0090 1395 GLN 424 N 0.0003 0.0002 -0.0099 1396 GLN 424 HN 0.0005 0.0001 -0.0095 1397 GLN 424 CA -0.0002 0.0001 -0.0102 1398 GLN 424 HA -0.0004 0.0000 -0.0103 1399 GLN 424 C -0.0003 0.0004 -0.0107 1400 GLN 424 O -0.0007 0.0003 -0.0110 1401 GLN 424 CB -0.0005 -0.0003 -0.0098 1402 GLN 424 HB2 -0.0005 -0.0005 -0.0095 1403 GLN 424 HB3 -0.0003 -0.0002 -0.0097 1404 GLN 424 CG -0.0011 -0.0005 -0.0101 1405 GLN 424 HG2 -0.0012 -0.0003 -0.0104 1406 GLN 424 HG3 -0.0012 -0.0008 -0.0098 1407 GLN 424 CD -0.0014 -0.0007 -0.0102 1408 GLN 424 OE1 -0.0016 -0.0010 -0.0099 1409 GLN 424 NE2 -0.0015 -0.0004 -0.0107 1410 GLN 424 HE21 -0.0017 -0.0004 -0.0108 1411 GLN 424 HE22 -0.0013 -0.0001 -0.0109 1412 ARG 425 N -0.0002 0.0007 -0.0113 1413 ARG 425 HN 0.0002 0.0007 -0.0110 1414 ARG 425 CA -0.0002 0.0011 -0.0117 1415 ARG 425 HA -0.0005 0.0010 -0.0118 1416 ARG 425 C -0.0004 0.0014 -0.0122 1417 ARG 425 O -0.0006 0.0016 -0.0127 1418 ARG 425 CB 0.0004 0.0015 -0.0117 1419 ARG 425 HB2 0.0007 0.0017 -0.0117 1420 ARG 425 HB3 0.0004 0.0018 -0.0121 1421 ARG 425 CG 0.0008 0.0014 -0.0113 1422 ARG 425 HG2 0.0012 0.0017 -0.0113 1423 ARG 425 HG3 0.0009 0.0011 -0.0109 1424 ARG 425 CD 0.0005 0.0012 -0.0113 1425 ARG 425 HD2 0.0002 0.0008 -0.0111 1426 ARG 425 HD3 0.0002 0.0014 -0.0117 1427 ARG 425 NE 0.0009 0.0013 -0.0111 1428 ARG 425 HE 0.0009 0.0015 -0.0113 1429 ARG 425 CZ 0.0013 0.0011 -0.0105 1430 ARG 425 NH1 0.0013 0.0008 -0.0102 1431 ARG 425 HH11 0.0010 0.0006 -0.0102 1432 ARG 425 HH12 0.0016 0.0007 -0.0098 1433 ARG 425 NH2 0.0017 0.0013 -0.0104 1434 ARG 425 HH21 0.0017 0.0015 -0.0107 1435 ARG 425 HH22 0.0019 0.0011 -0.0100 1436 ILE 426 N -0.0002 0.0014 -0.0121 1437 ILE 426 HN -0.0001 0.0011 -0.0117 1438 ILE 426 CA -0.0003 0.0017 -0.0125 1439 ILE 426 HA -0.0004 0.0019 -0.0128 1440 ILE 426 C -0.0007 0.0014 -0.0125 1441 ILE 426 O -0.0007 0.0016 -0.0127 1442 ILE 426 CB 0.0003 0.0020 -0.0123 1443 ILE 426 HB 0.0003 0.0017 -0.0120 1444 ILE 426 CG1 0.0009 0.0021 -0.0120 1445 ILE 426 HG12 0.0009 0.0018 -0.0117 1446 ILE 426 HG13 0.0013 0.0022 -0.0119 1447 ILE 426 CG2 0.0004 0.0024 -0.0128 1448 ILE 426 HG21 0.0005 0.0027 -0.0131 1449 ILE 426 HG22 0.0000 0.0023 -0.0130 1450 ILE 426 HG23 0.0008 0.0025 -0.0126 1451 ILE 426 CD1 0.0010 0.0025 -0.0123 1452 ILE 426 HD11 0.0006 0.0024 -0.0125 1453 ILE 426 HD12 0.0011 0.0028 -0.0127 1454 ILE 426 HD13 0.0014 0.0025 -0.0121 1455 ASP 427 N -0.0009 0.0022 -0.0127 1456 ASP 427 HN -0.0012 0.0022 -0.0128 1457 ASP 427 CA -0.0012 0.0022 -0.0123 1458 ASP 427 HA -0.0009 0.0021 -0.0119 1459 ASP 427 C -0.0011 0.0022 -0.0128 1460 ASP 427 O -0.0010 0.0022 -0.0125 1461 ASP 427 CB -0.0019 0.0022 -0.0121 1462 ASP 427 HB2 -0.0022 0.0023 -0.0125 1463 ASP 427 HB3 -0.0019 0.0021 -0.0116 1464 ASP 427 CG -0.0023 0.0022 -0.0120 1465 ASP 427 OD1 -0.0022 0.0021 -0.0116 1466 ASP 427 OD2 -0.0028 0.0023 -0.0125 1467 GLN 428 N -0.0011 0.0023 -0.0134 1468 GLN 428 HN -0.0012 0.0023 -0.0136 1469 GLN 428 CA -0.0012 0.0024 -0.0139 1470 GLN 428 HA -0.0014 0.0023 -0.0137 1471 GLN 428 C -0.0005 0.0023 -0.0142 1472 GLN 428 O -0.0005 0.0024 -0.0146 1473 GLN 428 CB -0.0017 0.0025 -0.0145 1474 GLN 428 HB2 -0.0015 0.0025 -0.0148 1475 GLN 428 HB3 -0.0017 0.0025 -0.0149 1476 GLN 428 CG -0.0024 0.0025 -0.0142 1477 GLN 428 HG2 -0.0024 0.0024 -0.0138 1478 GLN 428 HG3 -0.0026 0.0025 -0.0140 1479 GLN 428 CD -0.0029 0.0026 -0.0147 1480 GLN 428 OE1 -0.0028 0.0027 -0.0153 1481 GLN 428 NE2 -0.0035 0.0026 -0.0145 1482 GLN 428 HE21 -0.0038 0.0027 -0.0148 1483 GLN 428 HE22 -0.0036 0.0026 -0.0140 1484 TRP 429 N -0.0005 0.0026 -0.0138 1485 TRP 429 HN -0.0006 0.0027 -0.0137 1486 TRP 429 CA -0.0000 0.0021 -0.0140 1487 TRP 429 HA 0.0001 0.0020 -0.0139 1488 TRP 429 C 0.0003 0.0020 -0.0136 1489 TRP 429 O 0.0006 0.0017 -0.0137 1490 TRP 429 CB -0.0001 0.0020 -0.0146 1491 TRP 429 HB2 -0.0002 0.0021 -0.0147 1492 TRP 429 HB3 0.0003 0.0017 -0.0146 1493 TRP 429 CG -0.0003 0.0021 -0.0149 1494 TRP 429 CD1 -0.0002 0.0019 -0.0150 1495 TRP 429 HD1 0.0001 0.0017 -0.0149 1496 TRP 429 CD2 -0.0008 0.0024 -0.0152 1497 TRP 429 NE1 -0.0005 0.0021 -0.0153 1498 TRP 429 HE1 -0.0005 0.0021 -0.0155 1499 TRP 429 CE2 -0.0009 0.0024 -0.0155 1500 TRP 429 CE3 -0.0011 0.0026 -0.0153 1501 TRP 429 HE3 -0.0010 0.0026 -0.0151 1502 TRP 429 CZ2 -0.0013 0.0027 -0.0157 1503 TRP 429 HZ2 -0.0014 0.0027 -0.0159 1504 TRP 429 CZ3 -0.0015 0.0029 -0.0156 1505 TRP 429 HZ3 -0.0017 0.0031 -0.0156 1506 TRP 429 CH2 -0.0016 0.0029 -0.0158 1507 TRP 429 HH2 -0.0019 0.0031 -0.0160 1508 HIS 430 N 0.0003 0.0022 -0.0130 1509 HIS 430 HN 0.0000 0.0024 -0.0130 1510 HIS 430 CA 0.0005 0.0021 -0.0125 1511 HIS 430 HA 0.0004 0.0022 -0.0126 1512 HIS 430 C 0.0010 0.0017 -0.0125 1513 HIS 430 O 0.0012 0.0016 -0.0121 1514 HIS 430 CB 0.0003 0.0024 -0.0121 1515 HIS 430 HB2 0.0005 0.0023 -0.0120 1516 HIS 430 HB3 -0.0000 0.0027 -0.0121 1517 HIS 430 CG 0.0005 0.0024 -0.0115 1518 HIS 430 ND1 0.0005 0.0026 -0.0110 1519 HIS 430 HD1 0.0003 0.0027 -0.0110 1520 HIS 430 CD2 0.0007 0.0023 -0.0114 1521 HIS 430 HD2 0.0008 0.0022 -0.0116 1522 HIS 430 CE1 0.0006 0.0026 -0.0106 1523 HIS 430 HE1 0.0006 0.0027 -0.0102 1524 HIS 430 NE2 0.0007 0.0025 -0.0108 1525 HIS 430 HE2 0.0007 0.0025 -0.0106 1526 LYS 431 N 0.0005 0.0010 -0.0124 1527 LYS 431 HN 0.0003 0.0010 -0.0126 1528 LYS 431 CA 0.0010 0.0008 -0.0124 1529 LYS 431 HA 0.0012 0.0008 -0.0121 1530 LYS 431 C 0.0012 0.0007 -0.0125 1531 LYS 431 O 0.0016 0.0005 -0.0124 1532 LYS 431 CB 0.0011 0.0006 -0.0128 1533 LYS 431 HB2 0.0014 0.0005 -0.0129 1534 LYS 431 HB3 0.0012 0.0006 -0.0127 1535 LYS 431 CG 0.0007 0.0007 -0.0132 1536 LYS 431 HG2 0.0005 0.0008 -0.0131 1537 LYS 431 HG3 0.0006 0.0007 -0.0133 1538 LYS 431 CD 0.0009 0.0005 -0.0137 1539 LYS 431 HD2 0.0010 0.0004 -0.0139 1540 LYS 431 HD3 0.0006 0.0005 -0.0139 1541 LYS 431 CE 0.0012 0.0004 -0.0137 1542 LYS 431 HE2 0.0012 0.0003 -0.0140 1543 LYS 431 HE3 0.0011 0.0005 -0.0134 1544 LYS 431 NZ 0.0017 0.0002 -0.0136 1545 LYS 431 HZ1 0.0017 0.0001 -0.0137 1546 LYS 431 HZ2 0.0019 0.0001 -0.0137 1547 LYS 431 HZ3 0.0018 0.0003 -0.0132 1548 ASP 432 N 0.0009 0.0007 -0.0128 1549 ASP 432 HN 0.0006 0.0008 -0.0128 1550 ASP 432 CA 0.0011 0.0006 -0.0130 1551 ASP 432 HA 0.0014 0.0005 -0.0129 1552 ASP 432 C 0.0009 0.0007 -0.0128 1553 ASP 432 O 0.0010 0.0008 -0.0124 1554 ASP 432 CB 0.0009 0.0005 -0.0135 1555 ASP 432 HB2 0.0006 0.0006 -0.0136 1556 ASP 432 HB3 0.0011 0.0004 -0.0136 1557 ASP 432 CG 0.0011 0.0004 -0.0138 1558 ASP 432 OD1 0.0012 0.0002 -0.0142 1559 ASP 432 OD2 0.0012 0.0004 -0.0136 1560 ALA 433 N 0.0014 0.0013 -0.0122 1561 ALA 433 HN 0.0012 0.0013 -0.0124 1562 ALA 433 CA 0.0013 0.0014 -0.0120 1563 ALA 433 HA 0.0016 0.0014 -0.0120 1564 ALA 433 C 0.0012 0.0014 -0.0116 1565 ALA 433 O 0.0013 0.0014 -0.0114 1566 ALA 433 CB 0.0012 0.0013 -0.0122 1567 ALA 433 HB1 0.0009 0.0013 -0.0123 1568 ALA 433 HB2 0.0013 0.0013 -0.0124 1569 ALA 433 HB3 0.0011 0.0013 -0.0120 1570 ILE 434 N 0.0010 0.0014 -0.0116 1571 ILE 434 HN 0.0010 0.0014 -0.0117 1572 ILE 434 CA 0.0008 0.0014 -0.0112 1573 ILE 434 HA 0.0007 0.0014 -0.0112 1574 ILE 434 C 0.0010 0.0014 -0.0109 1575 ILE 434 O 0.0009 0.0014 -0.0107 1576 ILE 434 CB 0.0005 0.0013 -0.0113 1577 ILE 434 HB 0.0004 0.0013 -0.0116 1578 ILE 434 CG1 0.0002 0.0013 -0.0111 1579 ILE 434 HG12 0.0001 0.0013 -0.0112 1580 ILE 434 HG13 -0.0000 0.0013 -0.0112 1581 ILE 434 CG2 0.0005 0.0014 -0.0112 1582 ILE 434 HG21 0.0005 0.0014 -0.0110 1583 ILE 434 HG22 0.0008 0.0014 -0.0113 1584 ILE 434 HG23 0.0003 0.0013 -0.0114 1585 ILE 434 CD1 0.0002 0.0014 -0.0107 1586 ILE 434 HD11 0.0003 0.0014 -0.0107 1587 ILE 434 HD12 0.0003 0.0014 -0.0106 1588 ILE 434 HD13 -0.0001 0.0014 -0.0106 1589 LEU 435 N 0.0008 0.0010 -0.0105 1590 LEU 435 HN 0.0008 0.0010 -0.0106 1591 LEU 435 CA 0.0009 0.0011 -0.0104 1592 LEU 435 HA 0.0009 0.0011 -0.0103 1593 LEU 435 C 0.0011 0.0011 -0.0104 1594 LEU 435 O 0.0012 0.0012 -0.0104 1595 LEU 435 CB 0.0010 0.0011 -0.0104 1596 LEU 435 HB2 0.0010 0.0010 -0.0105 1597 LEU 435 HB3 0.0011 0.0011 -0.0104 1598 LEU 435 CG 0.0009 0.0011 -0.0103 1599 LEU 435 HG 0.0009 0.0011 -0.0104 1600 LEU 435 CD1 0.0009 0.0012 -0.0102 1601 LEU 435 HD11 0.0009 0.0012 -0.0101 1602 LEU 435 HD12 0.0010 0.0012 -0.0102 1603 LEU 435 HD13 0.0008 0.0012 -0.0101 1604 LEU 435 CD2 0.0007 0.0010 -0.0104 1605 LEU 435 HD21 0.0007 0.0010 -0.0103 1606 LEU 435 HD22 0.0007 0.0010 -0.0103 1607 LEU 435 HD23 0.0007 0.0010 -0.0105 1608 GLY 436 N 0.0010 0.0011 -0.0104 1609 GLY 436 HN 0.0009 0.0011 -0.0104 1610 GLY 436 CA 0.0011 0.0011 -0.0105 1611 GLY 436 HA2 0.0012 0.0012 -0.0104 1612 GLY 436 HA3 0.0012 0.0011 -0.0106 1613 GLY 436 C 0.0011 0.0011 -0.0105 1614 GLY 436 O 0.0011 0.0011 -0.0104 1615 ASP 437 N 0.0019 0.0017 -0.0100 1616 ASP 437 HN 0.0018 0.0016 -0.0102 1617 ASP 437 CA 0.0019 0.0018 -0.0100 1618 ASP 437 HA 0.0021 0.0019 -0.0099 1619 ASP 437 C 0.0017 0.0017 -0.0096 1620 ASP 437 O 0.0018 0.0018 -0.0094 1621 ASP 437 CB 0.0018 0.0017 -0.0102 1622 ASP 437 HB2 0.0016 0.0015 -0.0102 1623 ASP 437 HB3 0.0019 0.0017 -0.0105 1624 ASP 437 CG 0.0019 0.0017 -0.0102 1625 ASP 437 OD1 0.0018 0.0016 -0.0100 1626 ASP 437 OD2 0.0021 0.0019 -0.0103 1627 VAL 438 N 0.0015 0.0015 -0.0096 1628 VAL 438 HN 0.0015 0.0014 -0.0098 1629 VAL 438 CA 0.0013 0.0014 -0.0093 1630 VAL 438 HA 0.0013 0.0014 -0.0093 1631 VAL 438 C 0.0015 0.0015 -0.0090 1632 VAL 438 O 0.0014 0.0015 -0.0088 1633 VAL 438 CB 0.0011 0.0012 -0.0093 1634 VAL 438 HB 0.0010 0.0011 -0.0091 1635 VAL 438 CG1 0.0011 0.0012 -0.0093 1636 VAL 438 HG11 0.0012 0.0013 -0.0095 1637 VAL 438 HG12 0.0009 0.0011 -0.0094 1638 VAL 438 HG13 0.0011 0.0013 -0.0091 1639 VAL 438 CG2 0.0009 0.0011 -0.0096 1640 VAL 438 HG21 0.0010 0.0011 -0.0098 1641 VAL 438 HG22 0.0009 0.0010 -0.0096 1642 VAL 438 HG23 0.0007 0.0009 -0.0096 1643 LEU 439 N 0.0011 0.0011 -0.0077 1644 LEU 439 HN 0.0011 0.0011 -0.0080 1645 LEU 439 CA 0.0013 0.0014 -0.0073 1646 LEU 439 HA 0.0012 0.0012 -0.0070 1647 LEU 439 C 0.0016 0.0017 -0.0072 1648 LEU 439 O 0.0016 0.0018 -0.0068 1649 LEU 439 CB 0.0015 0.0015 -0.0076 1650 LEU 439 HB2 0.0015 0.0015 -0.0079 1651 LEU 439 HB3 0.0017 0.0018 -0.0074 1652 LEU 439 CG 0.0013 0.0013 -0.0075 1653 LEU 439 HG 0.0014 0.0014 -0.0077 1654 LEU 439 CD1 0.0012 0.0013 -0.0070 1655 LEU 439 HD11 0.0011 0.0012 -0.0067 1656 LEU 439 HD12 0.0015 0.0016 -0.0068 1657 LEU 439 HD13 0.0011 0.0012 -0.0069 1658 LEU 439 CD2 0.0009 0.0009 -0.0077 1659 LEU 439 HD21 0.0008 0.0007 -0.0075 1660 LEU 439 HD22 0.0008 0.0008 -0.0077 1661 LEU 439 HD23 0.0010 0.0009 -0.0081 1662 LEU 440 N 0.0018 0.0019 -0.0076 1663 LEU 440 HN 0.0017 0.0018 -0.0080 1664 LEU 440 CA 0.0020 0.0022 -0.0076 1665 LEU 440 HA 0.0022 0.0024 -0.0074 1666 LEU 440 C 0.0019 0.0021 -0.0073 1667 LEU 440 O 0.0021 0.0023 -0.0069 1668 LEU 440 CB 0.0022 0.0023 -0.0081 1669 LEU 440 HB2 0.0022 0.0023 -0.0083 1670 LEU 440 HB3 0.0020 0.0021 -0.0083 1671 LEU 440 CG 0.0025 0.0026 -0.0081 1672 LEU 440 HG 0.0025 0.0027 -0.0085 1673 LEU 440 CD1 0.0024 0.0026 -0.0079 1674 LEU 440 HD11 0.0024 0.0026 -0.0076 1675 LEU 440 HD12 0.0022 0.0023 -0.0081 1676 LEU 440 HD13 0.0026 0.0028 -0.0081 1677 LEU 440 CD2 0.0027 0.0030 -0.0079 1678 LEU 440 HD21 0.0027 0.0029 -0.0075 1679 LEU 440 HD22 0.0030 0.0032 -0.0079 1680 LEU 440 HD23 0.0028 0.0030 -0.0080 1681 ALA 441 N 0.0025 0.0032 -0.0067 1682 ALA 441 HN 0.0022 0.0030 -0.0072 1683 ALA 441 CA 0.0027 0.0032 -0.0063 1684 ALA 441 HA 0.0031 0.0037 -0.0062 1685 ALA 441 C 0.0028 0.0028 -0.0055 1686 ALA 441 O 0.0030 0.0027 -0.0051 1687 ALA 441 CB 0.0024 0.0029 -0.0066 1688 ALA 441 HB1 0.0020 0.0025 -0.0067 1689 ALA 441 HB2 0.0023 0.0033 -0.0072 1690 ALA 441 HB3 0.0025 0.0029 -0.0063 1691 HIS 442 N 0.0027 0.0025 -0.0054 1692 HIS 442 HN 0.0025 0.0025 -0.0057 1693 HIS 442 CA 0.0027 0.0021 -0.0046 1694 HIS 442 HA 0.0030 0.0022 -0.0043 1695 HIS 442 C 0.0030 0.0022 -0.0044 1696 HIS 442 O 0.0030 0.0019 -0.0038 1697 HIS 442 CB 0.0022 0.0013 -0.0046 1698 HIS 442 HB2 0.0023 0.0010 -0.0041 1699 HIS 442 HB3 0.0020 0.0012 -0.0050 1700 HIS 442 CG 0.0020 0.0012 -0.0048 1701 HIS 442 ND1 0.0017 0.0012 -0.0055 1702 HIS 442 HD1 0.0015 0.0012 -0.0059 1703 HIS 442 CD2 0.0021 0.0011 -0.0045 1704 HIS 442 HD2 0.0024 0.0011 -0.0040 1705 HIS 442 CE1 0.0016 0.0012 -0.0056 1706 HIS 442 HE1 0.0014 0.0012 -0.0061 1707 HIS 442 NE2 0.0019 0.0011 -0.0050 1708 HIS 442 HE2 0.0019 0.0010 -0.0049 1709 PHE 443 N 0.0022 0.0032 -0.0028 1710 PHE 443 HN 0.0021 0.0037 -0.0031 1711 PHE 443 CA 0.0022 0.0035 -0.0029 1712 PHE 443 HA 0.0019 0.0031 -0.0033 1713 PHE 443 C 0.0027 0.0032 -0.0022 1714 PHE 443 O 0.0027 0.0028 -0.0021 1715 PHE 443 CB 0.0022 0.0045 -0.0031 1716 PHE 443 HB2 0.0018 0.0046 -0.0037 1717 PHE 443 HB3 0.0025 0.0049 -0.0028 1718 PHE 443 CG 0.0023 0.0050 -0.0030 1719 PHE 443 CD1 0.0022 0.0046 -0.0031 1720 PHE 443 HD1 0.0021 0.0038 -0.0032 1721 PHE 443 CD2 0.0025 0.0059 -0.0029 1722 PHE 443 HD2 0.0026 0.0063 -0.0029 1723 PHE 443 CE1 0.0024 0.0051 -0.0030 1724 PHE 443 HE1 0.0023 0.0047 -0.0030 1725 PHE 443 CE2 0.0027 0.0064 -0.0028 1726 PHE 443 HE2 0.0029 0.0072 -0.0027 1727 PHE 443 CZ 0.0026 0.0060 -0.0028 1728 PHE 443 HZ 0.0027 0.0064 -0.0027 1729 SER 444 N 0.0032 0.0035 -0.0015 1730 SER 444 HN 0.0033 0.0038 -0.0015 1731 SER 444 CA 0.0038 0.0033 -0.0008 1732 SER 444 HA 0.0037 0.0035 -0.0009 1733 SER 444 C 0.0039 0.0023 -0.0004 1734 SER 444 O 0.0043 0.0021 0.0001 1735 SER 444 CB 0.0042 0.0040 -0.0002 1736 SER 444 HB2 0.0042 0.0047 -0.0005 1737 SER 444 HB3 0.0046 0.0039 0.0003 1738 SER 444 OG 0.0043 0.0037 -0.0001 1739 SER 444 HG 0.0046 0.0042 0.0002 1740 LYS 445 N 0.0043 0.0024 0.0000 1741 LYS 445 HN 0.0040 0.0026 -0.0007 1742 LYS 445 CA 0.0040 0.0014 0.0005 1743 LYS 445 HA 0.0045 0.0014 0.0013 1744 LYS 445 C 0.0035 0.0007 0.0004 1745 LYS 445 O 0.0033 -0.0001 0.0008 1746 LYS 445 CB 0.0037 0.0012 0.0003 1747 LYS 445 HB2 0.0033 0.0011 -0.0004 1748 LYS 445 HB3 0.0036 0.0005 0.0007 1749 LYS 445 CG 0.0042 0.0018 0.0004 1750 LYS 445 HG2 0.0043 0.0025 -0.0001 1751 LYS 445 HG3 0.0039 0.0016 0.0002 1752 LYS 445 CD 0.0048 0.0020 0.0013 1753 LYS 445 HD2 0.0052 0.0023 0.0015 1754 LYS 445 HD3 0.0047 0.0013 0.0019 1755 LYS 445 CE 0.0052 0.0025 0.0014 1756 LYS 445 HE2 0.0049 0.0021 0.0013 1757 LYS 445 HE3 0.0053 0.0032 0.0009 1758 LYS 445 NZ 0.0058 0.0027 0.0023 1759 LYS 445 HZ1 0.0058 0.0021 0.0028 1760 LYS 445 HZ2 0.0060 0.0030 0.0024 1761 LYS 445 HZ3 0.0061 0.0031 0.0024 1762 GLN 446 N 0.0034 0.0011 -0.0002 1763 GLN 446 HN 0.0036 0.0018 -0.0005 1764 GLN 446 CA 0.0030 0.0006 -0.0003 1765 GLN 446 HA 0.0027 -0.0001 -0.0002 1766 GLN 446 C 0.0035 0.0007 0.0004 1767 GLN 446 O 0.0032 0.0002 0.0005 1768 GLN 446 CB 0.0027 0.0010 -0.0013 1769 GLN 446 HB2 0.0030 0.0017 -0.0015 1770 GLN 446 HB3 0.0025 0.0007 -0.0013 1771 GLN 446 CG 0.0021 0.0007 -0.0020 1772 GLN 446 HG2 0.0023 0.0011 -0.0022 1773 GLN 446 HG3 0.0018 -0.0000 -0.0017 1774 GLN 446 CD 0.0016 0.0007 -0.0029 1775 GLN 446 OE1 0.0010 0.0001 -0.0033 1776 GLN 446 NE2 0.0018 0.0015 -0.0033 1777 GLN 446 HE21 0.0015 0.0015 -0.0039 1778 GLN 446 HE22 0.0023 0.0020 -0.0030 1779 SER 447 N 0.0029 0.0014 0.0020 1780 SER 447 HN 0.0030 0.0016 0.0024 1781 SER 447 CA 0.0029 0.0020 0.0022 1782 SER 447 HA 0.0028 0.0021 0.0015 1783 SER 447 C 0.0031 0.0014 0.0029 1784 SER 447 O 0.0031 0.0008 0.0025 1785 SER 447 CB 0.0029 0.0030 0.0026 1786 SER 447 HB2 0.0031 0.0030 0.0033 1787 SER 447 HB3 0.0028 0.0034 0.0021 1788 SER 447 OG 0.0029 0.0036 0.0029 1789 SER 447 HG 0.0031 0.0032 0.0034 1790 MET 448 N 0.0033 0.0016 0.0039 1791 MET 448 HN 0.0033 0.0019 0.0042 1792 MET 448 CA 0.0035 0.0014 0.0046 1793 MET 448 HA 0.0034 0.0013 0.0042 1794 MET 448 C 0.0037 0.0003 0.0050 1795 MET 448 O 0.0037 0.0001 0.0052 1796 MET 448 CB 0.0036 0.0022 0.0054 1797 MET 448 HB2 0.0036 0.0023 0.0057 1798 MET 448 HB3 0.0034 0.0029 0.0051 1799 MET 448 CG 0.0038 0.0020 0.0062 1800 MET 448 HG2 0.0039 0.0013 0.0067 1801 MET 448 HG3 0.0038 0.0026 0.0067 1802 MET 448 SD 0.0037 0.0018 0.0058 1803 MET 448 CE 0.0040 0.0017 0.0070 1804 MET 448 HE1 0.0040 0.0015 0.0069 1805 MET 448 HE2 0.0041 0.0011 0.0075 1806 MET 448 HE3 0.0040 0.0024 0.0074 1807 ILE 449 N 0.0049 -0.0004 0.0042 1808 ILE 449 HN 0.0048 -0.0003 0.0041 1809 ILE 449 CA 0.0051 -0.0013 0.0045 1810 ILE 449 HA 0.0051 -0.0016 0.0044 1811 ILE 449 C 0.0048 -0.0017 0.0038 1812 ILE 449 O 0.0050 -0.0023 0.0039 1813 ILE 449 CB 0.0055 -0.0012 0.0054 1814 ILE 449 HB 0.0054 -0.0008 0.0055 1815 ILE 449 CG1 0.0057 -0.0010 0.0059 1816 ILE 449 HG12 0.0058 -0.0015 0.0060 1817 ILE 449 HG13 0.0055 -0.0004 0.0057 1818 ILE 449 CG2 0.0057 -0.0021 0.0056 1819 ILE 449 HG21 0.0057 -0.0027 0.0054 1820 ILE 449 HG22 0.0056 -0.0022 0.0053 1821 ILE 449 HG23 0.0060 -0.0021 0.0063 1822 ILE 449 CD1 0.0060 -0.0007 0.0068 1823 ILE 449 HD11 0.0062 -0.0012 0.0071 1824 ILE 449 HD12 0.0060 -0.0002 0.0068 1825 ILE 449 HD13 0.0061 -0.0005 0.0071 1826 GLU 450 N 0.0045 -0.0013 0.0031 1827 GLU 450 HN 0.0044 -0.0008 0.0030 1828 GLU 450 CA 0.0042 -0.0016 0.0023 1829 GLU 450 HA 0.0043 -0.0023 0.0024 1830 GLU 450 C 0.0039 -0.0016 0.0017 1831 GLU 450 O 0.0039 -0.0012 0.0017 1832 GLU 450 CB 0.0041 -0.0011 0.0023 1833 GLU 450 HB2 0.0044 -0.0011 0.0028 1834 GLU 450 HB3 0.0040 -0.0004 0.0023 1835 GLU 450 CG 0.0038 -0.0013 0.0016 1836 GLU 450 HG2 0.0036 -0.0010 0.0010 1837 GLU 450 HG3 0.0038 -0.0010 0.0017 1838 GLU 450 CD 0.0039 -0.0022 0.0014 1839 GLU 450 OE1 0.0041 -0.0026 0.0019 1840 GLU 450 OE2 0.0037 -0.0026 0.0008 1841 THR 451 N 0.0038 -0.0023 0.0016 1842 THR 451 HN 0.0037 -0.0026 0.0015 1843 THR 451 CA 0.0035 -0.0026 0.0011 1844 THR 451 HA 0.0037 -0.0029 0.0015 1845 THR 451 C 0.0034 -0.0017 0.0007 1846 THR 451 O 0.0032 -0.0018 0.0004 1847 THR 451 CB 0.0032 -0.0033 0.0003 1848 THR 451 HB 0.0032 -0.0036 0.0004 1849 THR 451 OG1 0.0032 -0.0040 0.0003 1850 THR 451 HG1 0.0031 -0.0037 0.0001 1851 THR 451 CG2 0.0027 -0.0029 -0.0006 1852 THR 451 HG21 0.0026 -0.0026 -0.0009 1853 THR 451 HG22 0.0027 -0.0023 -0.0007 1854 THR 451 HG23 0.0025 -0.0035 -0.0011 1855 TYR 452 N 0.0033 -0.0009 0.0006 1856 TYR 452 HN 0.0035 -0.0007 0.0010 1857 TYR 452 CA 0.0029 -0.0002 -0.0001 1858 TYR 452 HA 0.0027 -0.0007 -0.0007 1859 TYR 452 C 0.0030 0.0005 0.0001 1860 TYR 452 O 0.0028 0.0009 -0.0004 1861 TYR 452 CB 0.0028 0.0004 -0.0004 1862 TYR 452 HB2 0.0030 0.0009 0.0001 1863 TYR 452 HB3 0.0025 0.0008 -0.0010 1864 TYR 452 CG 0.0026 -0.0001 -0.0008 1865 TYR 452 CD1 0.0028 -0.0009 -0.0004 1866 TYR 452 HD1 0.0031 -0.0012 0.0002 1867 TYR 452 CD2 0.0023 0.0003 -0.0016 1868 TYR 452 HD2 0.0021 0.0009 -0.0019 1869 TYR 452 CE1 0.0027 -0.0013 -0.0007 1870 TYR 452 HE1 0.0028 -0.0019 -0.0004 1871 TYR 452 CE2 0.0021 -0.0002 -0.0019 1872 TYR 452 HE2 0.0018 0.0001 -0.0025 1873 TYR 452 CZ 0.0023 -0.0009 -0.0015 1874 TYR 452 OH 0.0022 -0.0013 -0.0017 1875 TYR 452 HH 0.0022 -0.0007 -0.0017 1876 ILE 453 N 0.0006 0.0003 0.0012 1877 ILE 453 HN 0.0011 0.0000 0.0018 1878 ILE 453 CA 0.0005 0.0008 0.0013 1879 ILE 453 HA -0.0000 0.0009 0.0006 1880 ILE 453 C 0.0010 -0.0000 0.0016 1881 ILE 453 O 0.0008 -0.0002 0.0012 1882 ILE 453 CB 0.0004 0.0019 0.0020 1883 ILE 453 HB 0.0003 0.0022 0.0020 1884 ILE 453 CG1 0.0011 0.0020 0.0032 1885 ILE 453 HG12 0.0011 0.0022 0.0033 1886 ILE 453 HG13 0.0016 0.0012 0.0034 1887 ILE 453 CG2 -0.0002 0.0028 0.0016 1888 ILE 453 HG21 -0.0001 0.0026 0.0016 1889 ILE 453 HG22 -0.0007 0.0028 0.0007 1890 ILE 453 HG23 -0.0003 0.0037 0.0020 1891 ILE 453 CD1 0.0011 0.0029 0.0039 1892 ILE 453 HD11 0.0007 0.0038 0.0037 1893 ILE 453 HD12 0.0012 0.0027 0.0038 1894 ILE 453 HD13 0.0016 0.0030 0.0047 1895 SER 454 N 0.0017 -0.0005 0.0025 1896 SER 454 HN 0.0019 -0.0005 0.0028 1897 SER 454 CA 0.0022 -0.0010 0.0030 1898 SER 454 HA 0.0019 -0.0005 0.0030 1899 SER 454 C 0.0022 -0.0022 0.0023 1900 SER 454 O 0.0026 -0.0026 0.0026 1901 SER 454 CB 0.0029 -0.0011 0.0041 1902 SER 454 HB2 0.0031 -0.0017 0.0041 1903 SER 454 HB3 0.0028 -0.0003 0.0045 1904 SER 454 OG 0.0033 -0.0016 0.0046 1905 SER 454 HG 0.0033 -0.0023 0.0041 1906 PHE 455 N 0.0031 -0.0024 0.0027 1907 PHE 455 HN 0.0029 -0.0022 0.0027 1908 PHE 455 CA 0.0033 -0.0031 0.0023 1909 PHE 455 HA 0.0036 -0.0034 0.0025 1910 PHE 455 C 0.0029 -0.0033 0.0016 1911 PHE 455 O 0.0030 -0.0038 0.0012 1912 PHE 455 CB 0.0035 -0.0035 0.0023 1913 PHE 455 HB2 0.0032 -0.0032 0.0022 1914 PHE 455 HB3 0.0036 -0.0039 0.0019 1915 PHE 455 CG 0.0041 -0.0036 0.0029 1916 PHE 455 CD1 0.0042 -0.0031 0.0035 1917 PHE 455 HD1 0.0039 -0.0026 0.0036 1918 PHE 455 CD2 0.0044 -0.0042 0.0028 1919 PHE 455 HD2 0.0044 -0.0045 0.0024 1920 PHE 455 CE1 0.0046 -0.0032 0.0041 1921 PHE 455 HE1 0.0047 -0.0028 0.0045 1922 PHE 455 CE2 0.0049 -0.0042 0.0034 1923 PHE 455 HE2 0.0052 -0.0047 0.0034 1924 PHE 455 CZ 0.0050 -0.0037 0.0040 1925 PHE 455 HZ 0.0053 -0.0038 0.0044 1926 VAL 456 N 0.0024 -0.0027 0.0015 1927 VAL 456 HN 0.0023 -0.0023 0.0018 1928 VAL 456 CA 0.0019 -0.0028 0.0008 1929 VAL 456 HA 0.0021 -0.0033 0.0005 1930 VAL 456 C 0.0018 -0.0025 0.0009 1931 VAL 456 O 0.0014 -0.0022 0.0005 1932 VAL 456 CB 0.0014 -0.0024 0.0005 1933 VAL 456 HB 0.0011 -0.0024 0.0000 1934 VAL 456 CG1 0.0012 -0.0017 0.0009 1935 VAL 456 HG11 0.0015 -0.0016 0.0014 1936 VAL 456 HG12 0.0009 -0.0014 0.0007 1937 VAL 456 HG13 0.0012 -0.0014 0.0011 1938 VAL 456 CG2 0.0015 -0.0027 0.0004 1939 VAL 456 HG21 0.0019 -0.0027 0.0008 1940 VAL 456 HG22 0.0017 -0.0032 0.0001 1941 VAL 456 HG23 0.0012 -0.0024 0.0001 1942 ASP 457 N 0.0005 -0.0025 0.0020 1943 ASP 457 HN 0.0011 -0.0030 0.0022 1944 ASP 457 CA 0.0005 -0.0021 0.0024 1945 ASP 457 HA -0.0001 -0.0020 0.0018 1946 ASP 457 C 0.0012 -0.0028 0.0026 1947 ASP 457 O 0.0012 -0.0034 0.0020 1948 ASP 457 CB 0.0003 -0.0013 0.0032 1949 ASP 457 HB2 0.0007 -0.0013 0.0036 1950 ASP 457 HB3 -0.0003 -0.0008 0.0029 1951 ASP 457 CG 0.0004 -0.0010 0.0037 1952 ASP 457 OD1 0.0002 -0.0012 0.0032 1953 ASP 457 OD2 0.0007 -0.0006 0.0046 1954 ASN 458 N 0.0018 -0.0027 0.0035 1955 ASN 458 HN 0.0018 -0.0024 0.0040 1956 ASN 458 CA 0.0023 -0.0030 0.0039 1957 ASN 458 HA 0.0020 -0.0030 0.0035 1958 ASN 458 C 0.0030 -0.0039 0.0038 1959 ASN 458 O 0.0029 -0.0045 0.0030 1960 ASN 458 CB 0.0024 -0.0023 0.0049 1961 ASN 458 HB2 0.0019 -0.0017 0.0048 1962 ASN 458 HB3 0.0029 -0.0026 0.0052 1963 ASN 458 CG 0.0027 -0.0021 0.0056 1964 ASN 458 OD1 0.0034 -0.0025 0.0060 1965 ASN 458 ND2 0.0022 -0.0013 0.0057 1966 ASN 458 HD21 0.0023 -0.0011 0.0061 1967 ASN 458 HD22 0.0015 -0.0010 0.0052 1968 PHE 459 N 0.0037 -0.0046 0.0040 1969 PHE 459 HN 0.0037 -0.0043 0.0046 1970 PHE 459 CA 0.0045 -0.0051 0.0038 1971 PHE 459 HA 0.0046 -0.0053 0.0036 1972 PHE 459 C 0.0045 -0.0056 0.0031 1973 PHE 459 O 0.0042 -0.0059 0.0025 1974 PHE 459 CB 0.0052 -0.0050 0.0045 1975 PHE 459 HB2 0.0052 -0.0048 0.0047 1976 PHE 459 HB3 0.0058 -0.0054 0.0043 1977 PHE 459 CG 0.0053 -0.0046 0.0051 1978 PHE 459 CD1 0.0057 -0.0048 0.0050 1979 PHE 459 HD1 0.0060 -0.0052 0.0045 1980 PHE 459 CD2 0.0050 -0.0040 0.0057 1981 PHE 459 HD2 0.0047 -0.0038 0.0058 1982 PHE 459 CE1 0.0058 -0.0044 0.0056 1983 PHE 459 HE1 0.0060 -0.0046 0.0055 1984 PHE 459 CE2 0.0050 -0.0036 0.0063 1985 PHE 459 HE2 0.0048 -0.0032 0.0067 1986 PHE 459 CZ 0.0054 -0.0039 0.0062 1987 PHE 459 HZ 0.0054 -0.0036 0.0066 1988 LYS 460 N 0.0050 -0.0057 0.0033 1989 LYS 460 HN 0.0051 -0.0054 0.0038 1990 LYS 460 CA 0.0052 -0.0062 0.0027 1991 LYS 460 HA 0.0047 -0.0063 0.0022 1992 LYS 460 C 0.0054 -0.0062 0.0029 1993 LYS 460 O 0.0061 -0.0062 0.0032 1994 LYS 460 CB 0.0060 -0.0067 0.0025 1995 LYS 460 HB2 0.0065 -0.0065 0.0031 1996 LYS 460 HB3 0.0062 -0.0071 0.0021 1997 LYS 460 CG 0.0059 -0.0068 0.0023 1998 LYS 460 HG2 0.0054 -0.0069 0.0018 1999 LYS 460 HG3 0.0058 -0.0065 0.0027 2000 LYS 460 CD 0.0067 -0.0073 0.0020 2001 LYS 460 HD2 0.0068 -0.0077 0.0016 2002 LYS 460 HD3 0.0072 -0.0072 0.0025 2003 LYS 460 CE 0.0066 -0.0075 0.0017 2004 LYS 460 HE2 0.0059 -0.0074 0.0015 2005 LYS 460 HE3 0.0069 -0.0079 0.0013 2006 LYS 460 NZ 0.0069 -0.0072 0.0023 2007 LYS 460 HZ1 0.0065 -0.0068 0.0027 2008 LYS 460 HZ2 0.0069 -0.0074 0.0021 2009 LYS 460 HZ3 0.0076 -0.0073 0.0025 2010 PHE 461 N 0.0056 -0.0058 0.0029 2011 PHE 461 HN 0.0055 -0.0056 0.0028 2012 PHE 461 CA 0.0055 -0.0059 0.0027 2013 PHE 461 HA 0.0056 -0.0061 0.0027 2014 PHE 461 C 0.0054 -0.0059 0.0025 2015 PHE 461 O 0.0053 -0.0061 0.0023 2016 PHE 461 CB 0.0056 -0.0059 0.0029 2017 PHE 461 HB2 0.0057 -0.0061 0.0030 2018 PHE 461 HB3 0.0056 -0.0057 0.0030 2019 PHE 461 CG 0.0055 -0.0059 0.0027 2020 PHE 461 CD1 0.0054 -0.0057 0.0026 2021 PHE 461 HD1 0.0053 -0.0055 0.0026 2022 PHE 461 CD2 0.0056 -0.0062 0.0027 2023 PHE 461 HD2 0.0057 -0.0063 0.0028 2024 PHE 461 CE1 0.0053 -0.0057 0.0025 2025 PHE 461 HE1 0.0052 -0.0056 0.0024 2026 PHE 461 CE2 0.0055 -0.0062 0.0026 2027 PHE 461 HE2 0.0055 -0.0063 0.0026 2028 PHE 461 CZ 0.0054 -0.0060 0.0024 2029 PHE 461 HZ 0.0053 -0.0060 0.0023 2030 ALA 462 N 0.0053 -0.0056 0.0024 2031 ALA 462 HN 0.0053 -0.0055 0.0025 2032 ALA 462 CA 0.0051 -0.0056 0.0022 2033 ALA 462 HA 0.0051 -0.0057 0.0021 2034 ALA 462 C 0.0050 -0.0057 0.0020 2035 ALA 462 O 0.0050 -0.0058 0.0018 2036 ALA 462 CB 0.0050 -0.0053 0.0022 2037 ALA 462 HB1 0.0050 -0.0052 0.0023 2038 ALA 462 HB2 0.0051 -0.0052 0.0023 2039 ALA 462 HB3 0.0049 -0.0052 0.0020 2040 LYS 463 N 0.0049 -0.0055 0.0034 2041 LYS 463 HN 0.0048 -0.0054 0.0036 2042 LYS 463 CA 0.0048 -0.0055 0.0031 2043 LYS 463 HA 0.0050 -0.0055 0.0030 2044 LYS 463 C 0.0047 -0.0054 0.0030 2045 LYS 463 O 0.0049 -0.0055 0.0029 2046 LYS 463 CB 0.0046 -0.0054 0.0031 2047 LYS 463 HB2 0.0044 -0.0054 0.0033 2048 LYS 463 HB3 0.0044 -0.0054 0.0028 2049 LYS 463 CG 0.0048 -0.0055 0.0031 2050 LYS 463 HG2 0.0049 -0.0055 0.0033 2051 LYS 463 HG3 0.0046 -0.0054 0.0031 2052 LYS 463 CD 0.0050 -0.0055 0.0028 2053 LYS 463 HD2 0.0050 -0.0055 0.0026 2054 LYS 463 HD3 0.0048 -0.0055 0.0026 2055 LYS 463 CE 0.0053 -0.0056 0.0028 2056 LYS 463 HE2 0.0053 -0.0056 0.0026 2057 LYS 463 HE3 0.0052 -0.0056 0.0030 2058 LYS 463 NZ 0.0055 -0.0057 0.0029 2059 LYS 463 HZ1 0.0056 -0.0057 0.0027 2060 LYS 463 HZ2 0.0058 -0.0057 0.0029 2061 LYS 463 HZ3 0.0055 -0.0056 0.0031 2062 ALA 464 N 0.0044 -0.0054 0.0030 2063 ALA 464 HN 0.0042 -0.0053 0.0032 2064 ALA 464 CA 0.0042 -0.0053 0.0028 2065 ALA 464 HA 0.0042 -0.0054 0.0025 2066 ALA 464 C 0.0044 -0.0054 0.0027 2067 ALA 464 O 0.0045 -0.0054 0.0025 2068 ALA 464 CB 0.0039 -0.0052 0.0028 2069 ALA 464 HB1 0.0038 -0.0052 0.0031 2070 ALA 464 HB2 0.0037 -0.0052 0.0028 2071 ALA 464 HB3 0.0037 -0.0052 0.0027 2072 SER 465 N 0.0049 -0.0061 0.0030 2073 SER 465 HN 0.0048 -0.0061 0.0031 2074 SER 465 CA 0.0049 -0.0061 0.0029 2075 SER 465 HA 0.0049 -0.0061 0.0027 2076 SER 465 C 0.0052 -0.0062 0.0029 2077 SER 465 O 0.0053 -0.0062 0.0028 2078 SER 465 CB 0.0048 -0.0061 0.0031 2079 SER 465 HB2 0.0050 -0.0061 0.0031 2080 SER 465 HB3 0.0048 -0.0061 0.0033 2081 SER 465 OG 0.0046 -0.0061 0.0030 2082 SER 465 HG 0.0045 -0.0061 0.0031 2083 ILE 466 N 0.0054 -0.0062 0.0029 2084 ILE 466 HN 0.0053 -0.0062 0.0030 2085 ILE 466 CA 0.0057 -0.0062 0.0029 2086 ILE 466 HA 0.0057 -0.0062 0.0029 2087 ILE 466 C 0.0058 -0.0062 0.0026 2088 ILE 466 O 0.0059 -0.0062 0.0025 2089 ILE 466 CB 0.0059 -0.0062 0.0031 2090 ILE 466 HB 0.0058 -0.0062 0.0033 2091 ILE 466 CG1 0.0061 -0.0062 0.0031 2092 ILE 466 HG12 0.0061 -0.0062 0.0030 2093 ILE 466 HG13 0.0062 -0.0062 0.0033 2094 ILE 466 CG2 0.0059 -0.0062 0.0032 2095 ILE 466 HG21 0.0059 -0.0062 0.0030 2096 ILE 466 HG22 0.0057 -0.0062 0.0032 2097 ILE 466 HG23 0.0060 -0.0062 0.0033 2098 ILE 466 CD1 0.0063 -0.0063 0.0030 2099 ILE 466 HD11 0.0063 -0.0063 0.0028 2100 ILE 466 HD12 0.0064 -0.0063 0.0031 2101 ILE 466 HD13 0.0065 -0.0063 0.0030 2102 ILE 467 N 0.0063 -0.0064 0.0042 2103 ILE 467 HN 0.0063 -0.0064 0.0042 2104 ILE 467 CA 0.0061 -0.0066 0.0043 2105 ILE 467 HA 0.0060 -0.0065 0.0043 2106 ILE 467 C 0.0062 -0.0068 0.0044 2107 ILE 467 O 0.0061 -0.0069 0.0045 2108 ILE 467 CB 0.0059 -0.0065 0.0043 2109 ILE 467 HB 0.0059 -0.0065 0.0043 2110 ILE 467 CG1 0.0058 -0.0063 0.0042 2111 ILE 467 HG12 0.0059 -0.0061 0.0041 2112 ILE 467 HG13 0.0056 -0.0062 0.0042 2113 ILE 467 CG2 0.0057 -0.0066 0.0044 2114 ILE 467 HG21 0.0056 -0.0067 0.0045 2115 ILE 467 HG22 0.0057 -0.0068 0.0045 2116 ILE 467 HG23 0.0055 -0.0066 0.0044 2117 ILE 467 CD1 0.0057 -0.0062 0.0042 2118 ILE 467 HD11 0.0058 -0.0062 0.0042 2119 ILE 467 HD12 0.0055 -0.0063 0.0043 2120 ILE 467 HD13 0.0056 -0.0060 0.0041 2121 GLN 468 N 0.0064 -0.0068 0.0044 2122 GLN 468 HN 0.0064 -0.0067 0.0043 2123 GLN 468 CA 0.0065 -0.0071 0.0045 2124 GLN 468 HA 0.0063 -0.0072 0.0046 2125 GLN 468 C 0.0066 -0.0071 0.0045 2126 GLN 468 O 0.0065 -0.0073 0.0046 2127 GLN 468 CB 0.0067 -0.0071 0.0045 2128 GLN 468 HB2 0.0066 -0.0071 0.0045 2129 GLN 468 HB3 0.0068 -0.0070 0.0044 2130 GLN 468 CG 0.0068 -0.0074 0.0046 2131 GLN 468 HG2 0.0066 -0.0075 0.0046 2132 GLN 468 HG3 0.0069 -0.0074 0.0045 2133 GLN 468 CD 0.0069 -0.0074 0.0046 2134 GLN 468 OE1 0.0068 -0.0074 0.0046 2135 GLN 468 NE2 0.0071 -0.0076 0.0046 2136 GLN 468 HE21 0.0071 -0.0077 0.0046 2137 GLN 468 HE22 0.0071 -0.0077 0.0046 2138 ALA 469 N 0.0073 -0.0072 0.0039 2139 ALA 469 HN 0.0074 -0.0073 0.0037 2140 ALA 469 CA 0.0071 -0.0069 0.0035 2141 ALA 469 HA 0.0072 -0.0071 0.0035 2142 ALA 469 C 0.0068 -0.0064 0.0038 2143 ALA 469 O 0.0067 -0.0062 0.0037 2144 ALA 469 CB 0.0072 -0.0069 0.0029 2145 ALA 469 HB1 0.0071 -0.0067 0.0029 2146 ALA 469 HB2 0.0074 -0.0073 0.0027 2147 ALA 469 HB3 0.0071 -0.0067 0.0026 2148 ARG 470 N 0.0067 -0.0062 0.0040 2149 ARG 470 HN 0.0068 -0.0063 0.0039 2150 ARG 470 CA 0.0064 -0.0057 0.0043 2151 ARG 470 HA 0.0063 -0.0054 0.0040 2152 ARG 470 C 0.0064 -0.0058 0.0048 2153 ARG 470 O 0.0063 -0.0055 0.0048 2154 ARG 470 CB 0.0063 -0.0055 0.0045 2155 ARG 470 HB2 0.0063 -0.0054 0.0041 2156 ARG 470 HB3 0.0064 -0.0058 0.0048 2157 ARG 470 CG 0.0060 -0.0050 0.0047 2158 ARG 470 HG2 0.0059 -0.0047 0.0044 2159 ARG 470 HG3 0.0060 -0.0050 0.0051 2160 ARG 470 CD 0.0059 -0.0048 0.0050 2161 ARG 470 HD2 0.0059 -0.0048 0.0047 2162 ARG 470 HD3 0.0056 -0.0044 0.0051 2163 ARG 470 NE 0.0060 -0.0051 0.0055 2164 ARG 470 HE 0.0060 -0.0053 0.0058 2165 ARG 470 CZ 0.0060 -0.0052 0.0057 2166 ARG 470 NH1 0.0059 -0.0050 0.0054 2167 ARG 470 HH11 0.0059 -0.0048 0.0050 2168 ARG 470 HH12 0.0060 -0.0051 0.0055 2169 ARG 470 NH2 0.0061 -0.0055 0.0061 2170 ARG 470 HH21 0.0062 -0.0056 0.0064 2171 ARG 470 HH22 0.0062 -0.0055 0.0062 2172 GLN 471 N 0.0064 -0.0062 0.0059 2173 GLN 471 HN 0.0067 -0.0065 0.0057 2174 GLN 471 CA 0.0063 -0.0064 0.0069 2175 GLN 471 HA 0.0059 -0.0058 0.0072 2176 GLN 471 C 0.0066 -0.0068 0.0068 2177 GLN 471 O 0.0064 -0.0068 0.0075 2178 GLN 471 CB 0.0065 -0.0070 0.0076 2179 GLN 471 HB2 0.0070 -0.0076 0.0073 2180 GLN 471 HB3 0.0065 -0.0072 0.0083 2181 GLN 471 CG 0.0062 -0.0066 0.0079 2182 GLN 471 HG2 0.0063 -0.0070 0.0085 2183 GLN 471 HG3 0.0063 -0.0066 0.0073 2184 GLN 471 CD 0.0056 -0.0058 0.0081 2185 GLN 471 OE1 0.0053 -0.0052 0.0077 2186 GLN 471 NE2 0.0053 -0.0056 0.0088 2187 GLN 471 HE21 0.0049 -0.0051 0.0090 2188 GLN 471 HE22 0.0055 -0.0061 0.0092 2189 LYS 472 N 0.0071 -0.0072 0.0060 2190 LYS 472 HN 0.0072 -0.0073 0.0056 2191 LYS 472 CA 0.0073 -0.0075 0.0058 2192 LYS 472 HA 0.0073 -0.0078 0.0065 2193 LYS 472 C 0.0070 -0.0068 0.0054 2194 LYS 472 O 0.0069 -0.0069 0.0056 2195 LYS 472 CB 0.0079 -0.0082 0.0051 2196 LYS 472 HB2 0.0080 -0.0082 0.0048 2197 LYS 472 HB3 0.0080 -0.0081 0.0045 2198 LYS 472 CG 0.0083 -0.0091 0.0057 2199 LYS 472 HG2 0.0083 -0.0093 0.0062 2200 LYS 472 HG3 0.0088 -0.0095 0.0051 2201 LYS 472 CD 0.0083 -0.0092 0.0061 2202 LYS 472 HD2 0.0086 -0.0098 0.0065 2203 LYS 472 HD3 0.0079 -0.0088 0.0067 2204 LYS 472 CE 0.0084 -0.0091 0.0054 2205 LYS 472 HE2 0.0087 -0.0094 0.0048 2206 LYS 472 HE3 0.0085 -0.0093 0.0058 2207 LYS 472 NZ 0.0079 -0.0082 0.0051 2208 LYS 472 HZ1 0.0079 -0.0079 0.0044 2209 LYS 472 HZ2 0.0078 -0.0080 0.0050 2210 LYS 472 HZ3 0.0075 -0.0077 0.0056 2211 HIS 473 N 0.0071 -0.0063 0.0050 2212 HIS 473 HN 0.0072 -0.0065 0.0050 2213 HIS 473 CA 0.0069 -0.0056 0.0040 2214 HIS 473 HA 0.0068 -0.0056 0.0041 2215 HIS 473 C 0.0064 -0.0045 0.0040 2216 HIS 473 O 0.0062 -0.0039 0.0033 2217 HIS 473 CB 0.0071 -0.0062 0.0029 2218 HIS 473 HB2 0.0068 -0.0056 0.0022 2219 HIS 473 HB3 0.0071 -0.0063 0.0028 2220 HIS 473 CG 0.0075 -0.0072 0.0026 2221 HIS 473 ND1 0.0076 -0.0075 0.0030 2222 HIS 473 CD2 0.0077 -0.0079 0.0018 2223 HIS 473 HD2 0.0077 -0.0080 0.0013 2224 HIS 473 CE1 0.0079 -0.0084 0.0024 2225 HIS 473 HE1 0.0081 -0.0088 0.0024 2226 HIS 473 NE2 0.0080 -0.0086 0.0017 2227 HIS 473 HE2 0.0083 -0.0093 0.0011 2228 ALA 474 N 0.0063 -0.0042 0.0049 2229 ALA 474 HN 0.0065 -0.0047 0.0054 2230 ALA 474 CA 0.0059 -0.0030 0.0051 2231 ALA 474 HA 0.0057 -0.0025 0.0045 2232 ALA 474 C 0.0058 -0.0027 0.0063 2233 ALA 474 O 0.0054 -0.0019 0.0067 2234 ALA 474 CB 0.0058 -0.0028 0.0048 2235 ALA 474 HB1 0.0060 -0.0033 0.0053 2236 ALA 474 HB2 0.0058 -0.0030 0.0039 2237 ALA 474 HB3 0.0054 -0.0020 0.0050 2238 PHE 475 N 0.0061 -0.0027 0.0074 2239 PHE 475 HN 0.0061 -0.0037 0.0064 2240 PHE 475 CA 0.0062 -0.0027 0.0092 2241 PHE 475 HA 0.0063 -0.0030 0.0103 2242 PHE 475 C 0.0061 -0.0009 0.0096 2243 PHE 475 O 0.0061 -0.0006 0.0112 2244 PHE 475 CB 0.0063 -0.0044 0.0091 2245 PHE 475 HB2 0.0065 -0.0047 0.0106 2246 PHE 475 HB3 0.0064 -0.0056 0.0085 2247 PHE 475 CG 0.0063 -0.0040 0.0080 2248 PHE 475 CD1 0.0061 -0.0040 0.0061 2249 PHE 475 HD1 0.0061 -0.0042 0.0052 2250 PHE 475 CD2 0.0063 -0.0037 0.0091 2251 PHE 475 HD2 0.0064 -0.0037 0.0106 2252 PHE 475 CE1 0.0061 -0.0035 0.0051 2253 PHE 475 HE1 0.0060 -0.0034 0.0036 2254 PHE 475 CE2 0.0062 -0.0032 0.0081 2255 PHE 475 HE2 0.0062 -0.0030 0.0089 2256 PHE 475 CZ 0.0061 -0.0032 0.0061 2257 PHE 475 HZ 0.0060 -0.0028 0.0054 2258 GLU 476 N 0.0059 0.0003 0.0081 2259 GLU 476 HN 0.0058 -0.0002 0.0068 2260 GLU 476 CA 0.0057 0.0021 0.0083 2261 GLU 476 HA 0.0058 0.0018 0.0088 2262 GLU 476 C 0.0057 0.0032 0.0098 2263 GLU 476 O 0.0057 0.0041 0.0110 2264 GLU 476 CB 0.0055 0.0031 0.0064 2265 GLU 476 HB2 0.0055 0.0025 0.0056 2266 GLU 476 HB3 0.0055 0.0026 0.0055 2267 GLU 476 CG 0.0053 0.0052 0.0064 2268 GLU 476 HG2 0.0053 0.0057 0.0066 2269 GLU 476 HG3 0.0052 0.0057 0.0050 2270 GLU 476 CD 0.0053 0.0061 0.0078 2271 GLU 476 OE1 0.0053 0.0076 0.0086 2272 GLU 476 OE2 0.0054 0.0052 0.0083 2273 LYS 477 N 0.0068 0.0041 0.0100 2274 LYS 477 HN 0.0067 0.0030 0.0093 2275 LYS 477 CA 0.0070 0.0049 0.0108 2276 LYS 477 HA 0.0076 0.0041 0.0119 2277 LYS 477 C 0.0065 0.0046 0.0096 2278 LYS 477 O 0.0067 0.0052 0.0102 2279 LYS 477 CB 0.0069 0.0069 0.0113 2280 LYS 477 HB2 0.0064 0.0076 0.0106 2281 LYS 477 HB3 0.0066 0.0076 0.0111 2282 LYS 477 CG 0.0076 0.0073 0.0132 2283 LYS 477 HG2 0.0080 0.0070 0.0139 2284 LYS 477 HG3 0.0080 0.0064 0.0137 2285 LYS 477 CD 0.0075 0.0093 0.0136 2286 LYS 477 HD2 0.0079 0.0098 0.0148 2287 LYS 477 HD3 0.0069 0.0102 0.0127 2288 LYS 477 CE 0.0075 0.0097 0.0139 2289 LYS 477 HE2 0.0081 0.0090 0.0149 2290 LYS 477 HE3 0.0073 0.0111 0.0141 2291 LYS 477 NZ 0.0069 0.0091 0.0124 2292 LYS 477 HZ1 0.0071 0.0077 0.0121 2293 LYS 477 HZ2 0.0069 0.0094 0.0124 2294 LYS 477 HZ3 0.0063 0.0095 0.0112 2295 TYR 478 N 0.0059 0.0039 0.0080 2296 TYR 478 HN 0.0060 0.0031 0.0077 2297 TYR 478 CA 0.0053 0.0044 0.0067 2298 TYR 478 HA 0.0049 0.0057 0.0064 2299 TYR 478 C 0.0055 0.0044 0.0073 2300 TYR 478 O 0.0052 0.0058 0.0072 2301 TYR 478 CB 0.0048 0.0030 0.0051 2302 TYR 478 HB2 0.0045 0.0032 0.0046 2303 TYR 478 HB3 0.0052 0.0017 0.0055 2304 TYR 478 CG 0.0041 0.0033 0.0038 2305 TYR 478 CD1 0.0035 0.0049 0.0031 2306 TYR 478 HD1 0.0035 0.0061 0.0035 2307 TYR 478 CD2 0.0041 0.0018 0.0032 2308 TYR 478 HD2 0.0046 0.0005 0.0037 2309 TYR 478 CE1 0.0029 0.0052 0.0019 2310 TYR 478 HE1 0.0024 0.0064 0.0014 2311 TYR 478 CE2 0.0036 0.0021 0.0020 2312 TYR 478 HE2 0.0036 0.0009 0.0016 2313 TYR 478 CZ 0.0029 0.0037 0.0013 2314 TYR 478 OH 0.0023 0.0040 0.0001 2315 TYR 478 HH 0.0025 0.0032 0.0001 2316 TYR 479 N 0.0056 0.0020 0.0058 2317 TYR 479 HN 0.0059 0.0014 0.0059 2318 TYR 479 CA 0.0058 0.0016 0.0059 2319 TYR 479 HA 0.0051 0.0018 0.0050 2320 TYR 479 C 0.0062 0.0025 0.0070 2321 TYR 479 O 0.0063 0.0025 0.0071 2322 TYR 479 CB 0.0065 0.0001 0.0060 2323 TYR 479 HB2 0.0071 -0.0001 0.0068 2324 TYR 479 HB3 0.0067 -0.0002 0.0061 2325 TYR 479 CG 0.0061 -0.0010 0.0048 2326 TYR 479 CD1 0.0056 -0.0015 0.0038 2327 TYR 479 HD1 0.0054 -0.0010 0.0038 2328 TYR 479 CD2 0.0063 -0.0016 0.0048 2329 TYR 479 HD2 0.0068 -0.0013 0.0056 2330 TYR 479 CE1 0.0053 -0.0025 0.0028 2331 TYR 479 HE1 0.0049 -0.0029 0.0021 2332 TYR 479 CE2 0.0061 -0.0027 0.0038 2333 TYR 479 HE2 0.0063 -0.0032 0.0038 2334 TYR 479 CZ 0.0056 -0.0032 0.0028 2335 TYR 479 OH 0.0053 -0.0043 0.0018 2336 TYR 479 HH 0.0056 -0.0047 0.0020 2337 ASN 480 N 0.0066 0.0032 0.0080 2338 ASN 480 HN 0.0065 0.0033 0.0078 2339 ASN 480 CA 0.0072 0.0040 0.0091 2340 ASN 480 HA 0.0076 0.0033 0.0094 2341 ASN 480 C 0.0064 0.0053 0.0089 2342 ASN 480 O 0.0067 0.0060 0.0096 2343 ASN 480 CB 0.0077 0.0044 0.0101 2344 ASN 480 HB2 0.0072 0.0054 0.0101 2345 ASN 480 HB3 0.0079 0.0036 0.0100 2346 ASN 480 CG 0.0086 0.0046 0.0114 2347 ASN 480 OD1 0.0086 0.0057 0.0121 2348 ASN 480 ND2 0.0093 0.0033 0.0118 2349 ASN 480 HD21 0.0099 0.0033 0.0126 2350 ASN 480 HD22 0.0093 0.0023 0.0112 2351 ARG 481 N 0.0064 0.0074 0.0088 2352 ARG 481 HN 0.0061 0.0068 0.0083 2353 ARG 481 CA 0.0051 0.0089 0.0083 2354 ARG 481 HA 0.0057 0.0101 0.0094 2355 ARG 481 C 0.0047 0.0079 0.0075 2356 ARG 481 O 0.0044 0.0088 0.0076 2357 ARG 481 CB 0.0036 0.0098 0.0073 2358 ARG 481 HB2 0.0039 0.0095 0.0075 2359 ARG 481 HB3 0.0026 0.0090 0.0061 2360 ARG 481 CG 0.0028 0.0121 0.0077 2361 ARG 481 HG2 0.0038 0.0129 0.0089 2362 ARG 481 HG3 0.0026 0.0124 0.0076 2363 ARG 481 CD 0.0013 0.0130 0.0066 2364 ARG 481 HD2 0.0002 0.0126 0.0055 2365 ARG 481 HD3 0.0013 0.0124 0.0064 2366 ARG 481 NE 0.0008 0.0152 0.0073 2367 ARG 481 HE 0.0000 0.0160 0.0069 2368 ARG 481 CZ 0.0013 0.0164 0.0083 2369 ARG 481 NH1 0.0024 0.0155 0.0088 2370 ARG 481 HH11 0.0029 0.0139 0.0086 2371 ARG 481 HH12 0.0027 0.0163 0.0095 2372 ARG 481 NH2 0.0008 0.0184 0.0087 2373 ARG 481 HH21 -0.0000 0.0191 0.0083 2374 ARG 481 HH22 0.0012 0.0193 0.0094 2375 CYS 482 N 0.0046 0.0059 0.0065 2376 CYS 482 HN 0.0048 0.0052 0.0064 2377 CYS 482 CA 0.0041 0.0048 0.0055 2378 CYS 482 HA 0.0030 0.0058 0.0049 2379 CYS 482 C 0.0055 0.0044 0.0066 2380 CYS 482 O 0.0051 0.0044 0.0062 2381 CYS 482 CB 0.0039 0.0028 0.0044 2382 CYS 482 HB2 0.0035 0.0020 0.0037 2383 CYS 482 HB3 0.0051 0.0017 0.0050 2384 CYS 482 SG 0.0024 0.0030 0.0030 2385 CYS 482 HG 0.0011 0.0040 0.0023 2386 CYS 483 N 0.0061 0.0037 0.0060 2387 CYS 483 HN 0.0064 0.0037 0.0063 2388 CYS 483 CA 0.0074 0.0035 0.0071 2389 CYS 483 HA 0.0073 0.0025 0.0063 2390 CYS 483 C 0.0072 0.0054 0.0083 2391 CYS 483 O 0.0082 0.0054 0.0092 2392 CYS 483 CB 0.0092 0.0026 0.0082 2393 CYS 483 HB2 0.0093 0.0036 0.0090 2394 CYS 483 HB3 0.0093 0.0013 0.0074 2395 CYS 483 SG 0.0110 0.0020 0.0095 2396 CYS 483 HG 0.0104 0.0035 0.0100 2397 ARG 484 N 0.0061 0.0070 0.0083 2398 ARG 484 HN 0.0054 0.0069 0.0076 2399 ARG 484 CA 0.0057 0.0090 0.0093 2400 ARG 484 HA 0.0066 0.0088 0.0100 2401 ARG 484 C 0.0039 0.0098 0.0082 2402 ARG 484 O 0.0035 0.0109 0.0087 2403 ARG 484 CB 0.0059 0.0103 0.0105 2404 ARG 484 HB2 0.0052 0.0103 0.0098 2405 ARG 484 HB3 0.0054 0.0118 0.0110 2406 ARG 484 CG 0.0078 0.0098 0.0119 2407 ARG 484 HG2 0.0084 0.0082 0.0114 2408 ARG 484 HG3 0.0085 0.0100 0.0127 2409 ARG 484 CD 0.0080 0.0109 0.0129 2410 ARG 484 HD2 0.0078 0.0124 0.0137 2411 ARG 484 HD3 0.0071 0.0110 0.0121 2412 ARG 484 NE 0.0098 0.0100 0.0139 2413 ARG 484 HE 0.0100 0.0089 0.0133 2414 ARG 484 CZ 0.0110 0.0107 0.0155 2415 ARG 484 NH1 0.0110 0.0121 0.0165 2416 ARG 484 HH11 0.0101 0.0127 0.0160 2417 ARG 484 HH12 0.0120 0.0126 0.0177 2418 ARG 484 NH2 0.0124 0.0098 0.0162 2419 ARG 484 HH21 0.0123 0.0087 0.0154 2420 ARG 484 HH22 0.0134 0.0102 0.0174 2421 ASP 485 N 0.0042 0.0086 0.0073 2422 ASP 485 HN 0.0042 0.0084 0.0072 2423 ASP 485 CA 0.0029 0.0086 0.0066 2424 ASP 485 HA 0.0027 0.0097 0.0070 2425 ASP 485 C 0.0032 0.0073 0.0062 2426 ASP 485 O 0.0027 0.0075 0.0061 2427 ASP 485 CB 0.0016 0.0083 0.0059 2428 ASP 485 HB2 0.0019 0.0072 0.0055 2429 ASP 485 HB3 0.0014 0.0092 0.0061 2430 ASP 485 CG 0.0003 0.0084 0.0052 2431 ASP 485 OD1 -0.0001 0.0097 0.0056 2432 ASP 485 OD2 -0.0003 0.0072 0.0045 2433 HIS 486 N 0.0040 0.0060 0.0061 2434 HIS 486 HN 0.0042 0.0059 0.0061 2435 HIS 486 CA 0.0045 0.0048 0.0059 2436 HIS 486 HA 0.0042 0.0050 0.0058 2437 HIS 486 C 0.0062 0.0047 0.0067 2438 HIS 486 O 0.0069 0.0041 0.0068 2439 HIS 486 CB 0.0042 0.0033 0.0051 2440 HIS 486 HB2 0.0049 0.0023 0.0050 2441 HIS 486 HB3 0.0044 0.0031 0.0051 2442 HIS 486 CG 0.0026 0.0031 0.0042 2443 HIS 486 ND1 0.0023 0.0022 0.0037 2444 HIS 486 CD2 0.0014 0.0039 0.0039 2445 HIS 486 HD2 0.0012 0.0047 0.0042 2446 HIS 486 CE1 0.0009 0.0025 0.0031 2447 HIS 486 HE1 0.0002 0.0020 0.0025 2448 HIS 486 NE2 0.0003 0.0035 0.0032 2449 HIS 486 HE2 -0.0008 0.0040 0.0028 2450 PRO 487 N 0.0059 0.0051 0.0067 2451 PRO 487 CA 0.0075 0.0050 0.0074 2452 PRO 487 HA 0.0079 0.0057 0.0077 2453 PRO 487 C 0.0084 0.0033 0.0072 2454 PRO 487 O 0.0090 0.0027 0.0073 2455 PRO 487 CB 0.0079 0.0058 0.0078 2456 PRO 487 HB2 0.0080 0.0050 0.0076 2457 PRO 487 HB3 0.0089 0.0064 0.0084 2458 PRO 487 CG 0.0065 0.0070 0.0075 2459 PRO 487 HG2 0.0066 0.0080 0.0079 2460 PRO 487 HG3 0.0064 0.0073 0.0076 2461 PRO 487 CD 0.0052 0.0061 0.0067 2462 PRO 487 HD2 0.0043 0.0069 0.0066 2463 PRO 487 HD3 0.0049 0.0054 0.0063 2464 ASN 488 N 0.0083 0.0027 0.0069 2465 ASN 488 HN 0.0076 0.0032 0.0068 2466 ASN 488 CA 0.0093 0.0012 0.0069 2467 ASN 488 HA 0.0093 0.0005 0.0067 2468 ASN 488 C 0.0108 0.0017 0.0077 2469 ASN 488 O 0.0111 0.0030 0.0083 2470 ASN 488 CB 0.0087 0.0004 0.0064 2471 ASN 488 HB2 0.0089 0.0010 0.0067 2472 ASN 488 HB3 0.0074 0.0005 0.0059 2473 ASN 488 CG 0.0093 -0.0013 0.0061 2474 ASN 488 OD1 0.0104 -0.0018 0.0064 2475 ASN 488 ND2 0.0085 -0.0021 0.0054 2476 ASN 488 HD21 0.0088 -0.0033 0.0052 2477 ASN 488 HD22 0.0075 -0.0016 0.0052 2478 LYS 489 N 0.0125 0.0003 0.0062 2479 LYS 489 HN 0.0121 -0.0007 0.0066 2480 LYS 489 CA 0.0136 0.0005 0.0064 2481 LYS 489 HA 0.0141 0.0017 0.0060 2482 LYS 489 C 0.0127 0.0002 0.0063 2483 LYS 489 O 0.0133 0.0007 0.0062 2484 LYS 489 CB 0.0148 -0.0005 0.0074 2485 LYS 489 HB2 0.0142 -0.0016 0.0078 2486 LYS 489 HB3 0.0155 -0.0004 0.0076 2487 LYS 489 CG 0.0159 -0.0001 0.0075 2488 LYS 489 HG2 0.0164 0.0010 0.0071 2489 LYS 489 HG3 0.0152 -0.0002 0.0074 2490 LYS 489 CD 0.0171 -0.0011 0.0085 2491 LYS 489 HD2 0.0178 -0.0010 0.0087 2492 LYS 489 HD3 0.0165 -0.0022 0.0089 2493 LYS 489 CE 0.0182 -0.0008 0.0087 2494 LYS 489 HE2 0.0176 -0.0009 0.0085 2495 LYS 489 HE3 0.0188 0.0003 0.0083 2496 LYS 489 NZ 0.0193 -0.0018 0.0096 2497 LYS 489 HZ1 0.0189 -0.0028 0.0100 2498 LYS 489 HZ2 0.0201 -0.0015 0.0097 2499 LYS 489 HZ3 0.0200 -0.0017 0.0097 2500 LEU 490 N 0.0114 -0.0007 0.0064 2501 LEU 490 HN 0.0110 -0.0011 0.0065 2502 LEU 490 CA 0.0104 -0.0011 0.0062 2503 LEU 490 HA 0.0110 -0.0008 0.0063 2504 LEU 490 C 0.0091 -0.0002 0.0053 2505 LEU 490 O 0.0087 0.0002 0.0050 2506 LEU 490 CB 0.0097 -0.0027 0.0068 2507 LEU 490 HB2 0.0090 -0.0030 0.0067 2508 LEU 490 HB3 0.0088 -0.0029 0.0067 2509 LEU 490 CG 0.0108 -0.0038 0.0078 2510 LEU 490 HG 0.0101 -0.0048 0.0081 2511 LEU 490 CD1 0.0121 -0.0034 0.0080 2512 LEU 490 HD11 0.0129 -0.0025 0.0078 2513 LEU 490 HD12 0.0117 -0.0031 0.0077 2514 LEU 490 HD13 0.0127 -0.0043 0.0087 2515 LEU 490 CD2 0.0114 -0.0042 0.0082 2516 LEU 490 HD21 0.0122 -0.0033 0.0080 2517 LEU 490 HD22 0.0121 -0.0051 0.0089 2518 LEU 490 HD23 0.0105 -0.0046 0.0081 2519 ASP 491 N 0.0086 -0.0025 0.0065 2520 ASP 491 HN 0.0090 -0.0029 0.0067 2521 ASP 491 CA 0.0082 -0.0022 0.0062 2522 ASP 491 HA 0.0079 -0.0017 0.0062 2523 ASP 491 C 0.0077 -0.0027 0.0057 2524 ASP 491 O 0.0074 -0.0028 0.0054 2525 ASP 491 CB 0.0085 -0.0021 0.0066 2526 ASP 491 HB2 0.0089 -0.0018 0.0070 2527 ASP 491 HB3 0.0083 -0.0017 0.0065 2528 ASP 491 CG 0.0088 -0.0028 0.0065 2529 ASP 491 OD1 0.0092 -0.0033 0.0067 2530 ASP 491 OD2 0.0084 -0.0029 0.0062 2531 LEU 492 N 0.0076 -0.0030 0.0055 2532 LEU 492 HN 0.0078 -0.0028 0.0057 2533 LEU 492 CA 0.0074 -0.0037 0.0051 2534 LEU 492 HA 0.0073 -0.0039 0.0049 2535 LEU 492 C 0.0079 -0.0043 0.0053 2536 LEU 492 O 0.0079 -0.0050 0.0051 2537 LEU 492 CB 0.0068 -0.0036 0.0046 2538 LEU 492 HB2 0.0067 -0.0041 0.0043 2539 LEU 492 HB3 0.0065 -0.0032 0.0044 2540 LEU 492 CG 0.0068 -0.0033 0.0047 2541 LEU 492 HG 0.0072 -0.0036 0.0049 2542 LEU 492 CD1 0.0062 -0.0034 0.0042 2543 LEU 492 HD11 0.0058 -0.0032 0.0039 2544 LEU 492 HD12 0.0062 -0.0040 0.0040 2545 LEU 492 HD13 0.0062 -0.0032 0.0042 2546 LEU 492 CD2 0.0068 -0.0025 0.0050 2547 LEU 492 HD21 0.0065 -0.0021 0.0049 2548 LEU 492 HD22 0.0067 -0.0022 0.0050 2549 LEU 492 HD23 0.0073 -0.0024 0.0054 2550 ASP 493 N 0.0060 -0.0049 0.0042 2551 ASP 493 HN 0.0060 -0.0048 0.0043 2552 ASP 493 CA 0.0061 -0.0052 0.0043 2553 ASP 493 HA 0.0060 -0.0053 0.0042 2554 ASP 493 C 0.0062 -0.0053 0.0045 2555 ASP 493 O 0.0062 -0.0056 0.0045 2556 ASP 493 CB 0.0062 -0.0052 0.0044 2557 ASP 493 HB2 0.0063 -0.0052 0.0046 2558 ASP 493 HB3 0.0061 -0.0050 0.0044 2559 ASP 493 CG 0.0061 -0.0054 0.0044 2560 ASP 493 OD1 0.0061 -0.0053 0.0043 2561 ASP 493 OD2 0.0062 -0.0057 0.0044 2562 SER 494 N 0.0063 -0.0051 0.0046 2563 SER 494 HN 0.0063 -0.0049 0.0046 2564 SER 494 CA 0.0064 -0.0052 0.0047 2565 SER 494 HA 0.0065 -0.0054 0.0048 2566 SER 494 C 0.0063 -0.0052 0.0046 2567 SER 494 O 0.0064 -0.0053 0.0047 2568 SER 494 CB 0.0065 -0.0050 0.0049 2569 SER 494 HB2 0.0064 -0.0048 0.0049 2570 SER 494 HB3 0.0066 -0.0049 0.0050 2571 SER 494 OG 0.0066 -0.0051 0.0051 2572 SER 494 HG 0.0066 -0.0051 0.0050 2573 LEU 495 N 0.0066 -0.0058 0.0037 2574 LEU 495 HN 0.0066 -0.0057 0.0037 2575 LEU 495 CA 0.0065 -0.0060 0.0037 2576 LEU 495 HA 0.0066 -0.0061 0.0038 2577 LEU 495 C 0.0064 -0.0062 0.0037 2578 LEU 495 O 0.0064 -0.0064 0.0037 2579 LEU 495 CB 0.0064 -0.0059 0.0036 2580 LEU 495 HB2 0.0063 -0.0058 0.0035 2581 LEU 495 HB3 0.0063 -0.0061 0.0035 2582 LEU 495 CG 0.0065 -0.0059 0.0036 2583 LEU 495 HG 0.0063 -0.0058 0.0035 2584 LEU 495 CD1 0.0066 -0.0060 0.0037 2585 LEU 495 HD11 0.0067 -0.0061 0.0038 2586 LEU 495 HD12 0.0065 -0.0062 0.0037 2587 LEU 495 HD13 0.0066 -0.0060 0.0037 2588 LEU 495 CD2 0.0066 -0.0057 0.0037 2589 LEU 495 HD21 0.0067 -0.0057 0.0038 2590 LEU 495 HD22 0.0066 -0.0056 0.0037 2591 LEU 495 HD23 0.0065 -0.0055 0.0036 2592 LEU 496 N 0.0063 -0.0061 0.0036 2593 LEU 496 HN 0.0063 -0.0059 0.0036 2594 LEU 496 CA 0.0062 -0.0062 0.0035 2595 LEU 496 HA 0.0061 -0.0063 0.0035 2596 LEU 496 C 0.0063 -0.0064 0.0036 2597 LEU 496 O 0.0062 -0.0065 0.0036 2598 LEU 496 CB 0.0061 -0.0060 0.0034 2599 LEU 496 HB2 0.0062 -0.0060 0.0035 2600 LEU 496 HB3 0.0060 -0.0061 0.0034 2601 LEU 496 CG 0.0060 -0.0059 0.0033 2602 LEU 496 HG 0.0061 -0.0057 0.0034 2603 LEU 496 CD1 0.0059 -0.0057 0.0033 2604 LEU 496 HD11 0.0058 -0.0058 0.0032 2605 LEU 496 HD12 0.0060 -0.0057 0.0033 2606 LEU 496 HD13 0.0059 -0.0056 0.0032 2607 LEU 496 CD2 0.0058 -0.0059 0.0033 2608 LEU 496 HD21 0.0057 -0.0060 0.0032 2609 LEU 496 HD22 0.0058 -0.0058 0.0032 2610 LEU 496 HD23 0.0059 -0.0060 0.0033 2611 ILE 497 N 0.0052 -0.0057 0.0027 2612 ILE 497 HN 0.0050 -0.0059 0.0028 2613 ILE 497 CA 0.0053 -0.0055 0.0024 2614 ILE 497 HA 0.0056 -0.0053 0.0025 2615 ILE 497 C 0.0052 -0.0053 0.0019 2616 ILE 497 O 0.0053 -0.0051 0.0016 2617 ILE 497 CB 0.0051 -0.0056 0.0024 2618 ILE 497 HB 0.0051 -0.0057 0.0027 2619 ILE 497 CG1 0.0053 -0.0054 0.0022 2620 ILE 497 HG12 0.0051 -0.0055 0.0022 2621 ILE 497 HG13 0.0053 -0.0052 0.0019 2622 ILE 497 CG2 0.0047 -0.0058 0.0022 2623 ILE 497 HG21 0.0046 -0.0056 0.0018 2624 ILE 497 HG22 0.0045 -0.0059 0.0023 2625 ILE 497 HG23 0.0045 -0.0059 0.0022 2626 ILE 497 CD1 0.0057 -0.0052 0.0025 2627 ILE 497 HD11 0.0057 -0.0054 0.0028 2628 ILE 497 HD12 0.0059 -0.0051 0.0025 2629 ILE 497 HD13 0.0058 -0.0051 0.0023 2630 SER 498 N 0.0050 -0.0054 0.0018 2631 SER 498 HN 0.0049 -0.0056 0.0021 2632 SER 498 CA 0.0048 -0.0053 0.0014 2633 SER 498 HA 0.0046 -0.0053 0.0013 2634 SER 498 C 0.0051 -0.0050 0.0012 2635 SER 498 O 0.0051 -0.0048 0.0008 2636 SER 498 CB 0.0045 -0.0055 0.0013 2637 SER 498 HB2 0.0044 -0.0054 0.0010 2638 SER 498 HB3 0.0046 -0.0055 0.0015 2639 SER 498 OG 0.0042 -0.0058 0.0015 2640 SER 498 HG 0.0041 -0.0058 0.0014 2641 PRO 499 N 0.0044 -0.0050 0.0001 2642 PRO 499 CA 0.0046 -0.0043 0.0000 2643 PRO 499 HA 0.0044 -0.0041 -0.0003 2644 PRO 499 C 0.0045 -0.0038 -0.0002 2645 PRO 499 O 0.0045 -0.0032 -0.0005 2646 PRO 499 CB 0.0051 -0.0042 0.0006 2647 PRO 499 HB2 0.0053 -0.0040 0.0008 2648 PRO 499 HB3 0.0052 -0.0038 0.0006 2649 PRO 499 CG 0.0051 -0.0049 0.0009 2650 PRO 499 HG2 0.0050 -0.0050 0.0009 2651 PRO 499 HG3 0.0054 -0.0049 0.0014 2652 PRO 499 CD 0.0047 -0.0053 0.0007 2653 PRO 499 HD2 0.0046 -0.0059 0.0007 2654 PRO 499 HD3 0.0049 -0.0053 0.0008 2655 ILE 500 N 0.0045 -0.0041 -0.0001 2656 ILE 500 HN 0.0045 -0.0046 0.0000 2657 ILE 500 CA 0.0045 -0.0037 -0.0003 2658 ILE 500 HA 0.0047 -0.0032 -0.0002 2659 ILE 500 C 0.0040 -0.0037 -0.0009 2660 ILE 500 O 0.0040 -0.0032 -0.0012 2661 ILE 500 CB 0.0047 -0.0041 0.0000 2662 ILE 500 HB 0.0044 -0.0046 -0.0000 2663 ILE 500 CG1 0.0052 -0.0041 0.0007 2664 ILE 500 HG12 0.0052 -0.0043 0.0009 2665 ILE 500 HG13 0.0054 -0.0036 0.0008 2666 ILE 500 CG2 0.0046 -0.0037 -0.0002 2667 ILE 500 HG21 0.0048 -0.0031 -0.0001 2668 ILE 500 HG22 0.0043 -0.0037 -0.0006 2669 ILE 500 HG23 0.0048 -0.0039 0.0001 2670 ILE 500 CD1 0.0053 -0.0045 0.0010 2671 ILE 500 HD11 0.0050 -0.0050 0.0008 2672 ILE 500 HD12 0.0053 -0.0043 0.0009 2673 ILE 500 HD13 0.0056 -0.0047 0.0014 2674 GLN 501 N 0.0043 -0.0034 -0.0020 2675 GLN 501 HN 0.0041 -0.0037 -0.0017 2676 GLN 501 CA 0.0038 -0.0033 -0.0024 2677 GLN 501 HA 0.0040 -0.0033 -0.0023 2678 GLN 501 C 0.0038 -0.0028 -0.0032 2679 GLN 501 O 0.0037 -0.0026 -0.0036 2680 GLN 501 CB 0.0030 -0.0037 -0.0023 2681 GLN 501 HB2 0.0028 -0.0038 -0.0023 2682 GLN 501 HB3 0.0026 -0.0036 -0.0027 2683 GLN 501 CG 0.0029 -0.0042 -0.0016 2684 GLN 501 HG2 0.0034 -0.0043 -0.0012 2685 GLN 501 HG3 0.0029 -0.0041 -0.0017 2686 GLN 501 CD 0.0021 -0.0046 -0.0014 2687 GLN 501 OE1 0.0017 -0.0047 -0.0016 2688 GLN 501 NE2 0.0020 -0.0050 -0.0008 2689 GLN 501 HE21 0.0015 -0.0053 -0.0006 2690 GLN 501 HE22 0.0023 -0.0050 -0.0006 2691 ARG 502 N 0.0038 -0.0027 -0.0034 2692 ARG 502 HN 0.0039 -0.0030 -0.0030 2693 ARG 502 CA 0.0038 -0.0023 -0.0041 2694 ARG 502 HA 0.0033 -0.0023 -0.0044 2695 ARG 502 C 0.0045 -0.0018 -0.0044 2696 ARG 502 O 0.0045 -0.0015 -0.0050 2697 ARG 502 CB 0.0036 -0.0023 -0.0041 2698 ARG 502 HB2 0.0031 -0.0027 -0.0038 2699 ARG 502 HB3 0.0041 -0.0023 -0.0039 2700 ARG 502 CG 0.0033 -0.0020 -0.0049 2701 ARG 502 HG2 0.0038 -0.0016 -0.0052 2702 ARG 502 HG3 0.0032 -0.0021 -0.0048 2703 ARG 502 CD 0.0026 -0.0020 -0.0053 2704 ARG 502 HD2 0.0021 -0.0024 -0.0050 2705 ARG 502 HD3 0.0027 -0.0018 -0.0055 2706 ARG 502 NE 0.0022 -0.0018 -0.0059 2707 ARG 502 HE 0.0024 -0.0016 -0.0060 2708 ARG 502 CZ 0.0016 -0.0017 -0.0064 2709 ARG 502 NH1 0.0012 -0.0018 -0.0065 2710 ARG 502 HH11 0.0014 -0.0019 -0.0062 2711 ARG 502 HH12 0.0006 -0.0018 -0.0068 2712 ARG 502 NH2 0.0013 -0.0015 -0.0068 2713 ARG 502 HH21 0.0017 -0.0015 -0.0067 2714 ARG 502 HH22 0.0009 -0.0014 -0.0072 2715 VAL 503 N 0.0030 -0.0020 -0.0036 2716 VAL 503 HN 0.0030 -0.0023 -0.0032 2717 VAL 503 CA 0.0030 -0.0011 -0.0034 2718 VAL 503 HA 0.0030 -0.0012 -0.0034 2719 VAL 503 C 0.0029 -0.0006 -0.0042 2720 VAL 503 O 0.0029 -0.0001 -0.0044 2721 VAL 503 CB 0.0032 -0.0007 -0.0027 2722 VAL 503 HB 0.0033 -0.0010 -0.0022 2723 VAL 503 CG1 0.0033 0.0002 -0.0027 2724 VAL 503 HG11 0.0032 0.0005 -0.0031 2725 VAL 503 HG12 0.0034 0.0004 -0.0021 2726 VAL 503 HG13 0.0032 0.0003 -0.0028 2727 VAL 503 CG2 0.0032 -0.0008 -0.0025 2728 VAL 503 HG21 0.0032 -0.0004 -0.0029 2729 VAL 503 HG22 0.0032 -0.0014 -0.0026 2730 VAL 503 HG23 0.0034 -0.0006 -0.0019 2731 PRO 504 N 0.0028 -0.0007 -0.0047 2732 PRO 504 CA 0.0026 -0.0003 -0.0054 2733 PRO 504 HA 0.0027 0.0004 -0.0054 2734 PRO 504 C 0.0025 -0.0007 -0.0060 2735 PRO 504 O 0.0024 -0.0002 -0.0065 2736 PRO 504 CB 0.0026 -0.0004 -0.0057 2737 PRO 504 HB2 0.0025 -0.0009 -0.0061 2738 PRO 504 HB3 0.0025 0.0002 -0.0060 2739 PRO 504 CG 0.0027 -0.0006 -0.0049 2740 PRO 504 HG2 0.0028 0.0000 -0.0046 2741 PRO 504 HG3 0.0027 -0.0009 -0.0050 2742 PRO 504 CD 0.0028 -0.0011 -0.0045 2743 PRO 504 HD2 0.0029 -0.0011 -0.0039 2744 PRO 504 HD3 0.0027 -0.0017 -0.0047 2745 ARG 505 N 0.0020 -0.0006 -0.0067 2746 ARG 505 HN 0.0021 -0.0009 -0.0064 2747 ARG 505 CA 0.0017 -0.0007 -0.0071 2748 ARG 505 HA 0.0016 -0.0007 -0.0074 2749 ARG 505 C 0.0018 -0.0004 -0.0073 2750 ARG 505 O 0.0016 -0.0003 -0.0077 2751 ARG 505 CB 0.0015 -0.0012 -0.0070 2752 ARG 505 HB2 0.0015 -0.0015 -0.0069 2753 ARG 505 HB3 0.0017 -0.0013 -0.0067 2754 ARG 505 CG 0.0012 -0.0014 -0.0074 2755 ARG 505 HG2 0.0013 -0.0012 -0.0075 2756 ARG 505 HG3 0.0012 -0.0018 -0.0073 2757 ARG 505 CD 0.0010 -0.0014 -0.0078 2758 ARG 505 HD2 0.0009 -0.0016 -0.0077 2759 ARG 505 HD3 0.0011 -0.0010 -0.0080 2760 ARG 505 NE 0.0007 -0.0015 -0.0082 2761 ARG 505 HE 0.0007 -0.0013 -0.0084 2762 ARG 505 CZ 0.0005 -0.0020 -0.0082 2763 ARG 505 NH1 0.0005 -0.0024 -0.0079 2764 ARG 505 HH11 0.0006 -0.0024 -0.0077 2765 ARG 505 HH12 0.0003 -0.0027 -0.0080 2766 ARG 505 NH2 0.0002 -0.0020 -0.0086 2767 ARG 505 HH21 0.0002 -0.0017 -0.0088 2768 ARG 505 HH22 0.0001 -0.0023 -0.0086 2769 TYR 506 N 0.0020 -0.0002 -0.0070 2770 TYR 506 HN 0.0022 -0.0004 -0.0066 2771 TYR 506 CA 0.0021 0.0001 -0.0071 2772 TYR 506 HA 0.0019 -0.0001 -0.0072 2773 TYR 506 C 0.0021 0.0006 -0.0074 2774 TYR 506 O 0.0021 0.0008 -0.0076 2775 TYR 506 CB 0.0025 0.0002 -0.0066 2776 TYR 506 HB2 0.0026 0.0001 -0.0064 2777 TYR 506 HB3 0.0026 0.0006 -0.0067 2778 TYR 506 CG 0.0024 -0.0000 -0.0065 2779 TYR 506 CD1 0.0024 0.0002 -0.0067 2780 TYR 506 HD1 0.0023 0.0005 -0.0070 2781 TYR 506 CD2 0.0025 -0.0004 -0.0061 2782 TYR 506 HD2 0.0026 -0.0005 -0.0059 2783 TYR 506 CE1 0.0024 -0.0000 -0.0066 2784 TYR 506 HE1 0.0023 0.0001 -0.0068 2785 TYR 506 CE2 0.0025 -0.0006 -0.0060 2786 TYR 506 HE2 0.0026 -0.0009 -0.0057 2787 TYR 506 CZ 0.0024 -0.0004 -0.0062 2788 TYR 506 OH 0.0024 -0.0006 -0.0061 2789 TYR 506 HH 0.0024 -0.0009 -0.0059 2790 GLU 507 N 0.0015 0.0005 -0.0073 2791 GLU 507 HN 0.0015 0.0004 -0.0073 2792 GLU 507 CA 0.0015 0.0009 -0.0075 2793 GLU 507 HA 0.0015 0.0010 -0.0074 2794 GLU 507 C 0.0014 0.0009 -0.0080 2795 GLU 507 O 0.0013 0.0011 -0.0082 2796 GLU 507 CB 0.0015 0.0012 -0.0074 2797 GLU 507 HB2 0.0015 0.0015 -0.0074 2798 GLU 507 HB3 0.0015 0.0011 -0.0071 2799 GLU 507 CG 0.0014 0.0013 -0.0078 2800 GLU 507 HG2 0.0014 0.0010 -0.0079 2801 GLU 507 HG3 0.0014 0.0014 -0.0076 2802 GLU 507 CD 0.0013 0.0016 -0.0081 2803 GLU 507 OE1 0.0013 0.0018 -0.0081 2804 GLU 507 OE2 0.0012 0.0016 -0.0084 2805 LEU 508 N 0.0013 0.0005 -0.0082 2806 LEU 508 HN 0.0014 0.0003 -0.0080 2807 LEU 508 CA 0.0012 0.0004 -0.0086 2808 LEU 508 HA 0.0012 0.0007 -0.0088 2809 LEU 508 C 0.0012 0.0003 -0.0087 2810 LEU 508 O 0.0011 0.0003 -0.0091 2811 LEU 508 CB 0.0012 0.0001 -0.0088 2812 LEU 508 HB2 0.0013 -0.0002 -0.0086 2813 LEU 508 HB3 0.0011 0.0000 -0.0091 2814 LEU 508 CG 0.0012 0.0002 -0.0087 2815 LEU 508 HG 0.0013 0.0003 -0.0084 2816 LEU 508 CD1 0.0012 -0.0001 -0.0088 2817 LEU 508 HD11 0.0011 -0.0002 -0.0092 2818 LEU 508 HD12 0.0013 -0.0004 -0.0087 2819 LEU 508 HD13 0.0012 -0.0001 -0.0088 2820 LEU 508 CD2 0.0011 0.0006 -0.0090 2821 LEU 508 HD21 0.0011 0.0006 -0.0093 2822 LEU 508 HD22 0.0012 0.0007 -0.0089 2823 LEU 508 HD23 0.0012 0.0009 -0.0089 2824 ILE 509 N 0.0011 0.0007 -0.0091 2825 ILE 509 HN 0.0011 0.0007 -0.0090 2826 ILE 509 CA 0.0010 0.0007 -0.0091 2827 ILE 509 HA 0.0010 0.0007 -0.0091 2828 ILE 509 C 0.0011 0.0007 -0.0091 2829 ILE 509 O 0.0010 0.0007 -0.0092 2830 ILE 509 CB 0.0010 0.0007 -0.0091 2831 ILE 509 HB 0.0010 0.0007 -0.0090 2832 ILE 509 CG1 0.0010 0.0007 -0.0091 2833 ILE 509 HG12 0.0009 0.0007 -0.0091 2834 ILE 509 HG13 0.0010 0.0007 -0.0091 2835 ILE 509 CG2 0.0010 0.0007 -0.0091 2836 ILE 509 HG21 0.0010 0.0007 -0.0091 2837 ILE 509 HG22 0.0010 0.0007 -0.0090 2838 ILE 509 HG23 0.0010 0.0007 -0.0090 2839 ILE 509 CD1 0.0009 0.0007 -0.0091 2840 ILE 509 HD11 0.0009 0.0007 -0.0091 2841 ILE 509 HD12 0.0010 0.0007 -0.0091 2842 ILE 509 HD13 0.0009 0.0006 -0.0091 2843 VAL 510 N 0.0011 0.0008 -0.0091 2844 VAL 510 HN 0.0011 0.0008 -0.0091 2845 VAL 510 CA 0.0011 0.0008 -0.0092 2846 VAL 510 HA 0.0011 0.0008 -0.0092 2847 VAL 510 C 0.0011 0.0008 -0.0092 2848 VAL 510 O 0.0011 0.0008 -0.0092 2849 VAL 510 CB 0.0011 0.0008 -0.0091 2850 VAL 510 HB 0.0012 0.0008 -0.0092 2851 VAL 510 CG1 0.0012 0.0008 -0.0091 2852 VAL 510 HG11 0.0012 0.0008 -0.0091 2853 VAL 510 HG12 0.0012 0.0009 -0.0091 2854 VAL 510 HG13 0.0012 0.0008 -0.0091 2855 VAL 510 CG2 0.0011 0.0008 -0.0091 2856 VAL 510 HG21 0.0011 0.0008 -0.0091 2857 VAL 510 HG22 0.0011 0.0008 -0.0092 2858 VAL 510 HG23 0.0012 0.0008 -0.0091 2859 LYS 511 N 0.0010 0.0008 -0.0091 2860 LYS 511 HN 0.0010 0.0008 -0.0090 2861 LYS 511 CA 0.0011 0.0008 -0.0092 2862 LYS 511 HA 0.0012 0.0009 -0.0092 2863 LYS 511 C 0.0011 0.0007 -0.0093 2864 LYS 511 O 0.0012 0.0007 -0.0094 2865 LYS 511 CB 0.0012 0.0009 -0.0091 2866 LYS 511 HB2 0.0011 0.0009 -0.0091 2867 LYS 511 HB3 0.0013 0.0010 -0.0092 2868 LYS 511 CG 0.0012 0.0011 -0.0091 2869 LYS 511 HG2 0.0013 0.0011 -0.0091 2870 LYS 511 HG3 0.0011 0.0010 -0.0090 2871 LYS 511 CD 0.0012 0.0012 -0.0090 2872 LYS 511 HD2 0.0013 0.0012 -0.0090 2873 LYS 511 HD3 0.0012 0.0012 -0.0089 2874 LYS 511 CE 0.0013 0.0013 -0.0089 2875 LYS 511 HE2 0.0013 0.0013 -0.0089 2876 LYS 511 HE3 0.0014 0.0013 -0.0090 2877 LYS 511 NZ 0.0013 0.0014 -0.0088 2878 LYS 511 HZ1 0.0012 0.0014 -0.0087 2879 LYS 511 HZ2 0.0013 0.0014 -0.0088 2880 LYS 511 HZ3 0.0013 0.0014 -0.0088 2881 GLN 512 N 0.0010 0.0007 -0.0093 2882 GLN 512 HN 0.0010 0.0007 -0.0092 2883 GLN 512 CA 0.0010 0.0006 -0.0094 2884 GLN 512 HA 0.0011 0.0006 -0.0094 2885 GLN 512 C 0.0010 0.0005 -0.0094 2886 GLN 512 O 0.0010 0.0004 -0.0095 2887 GLN 512 CB 0.0009 0.0006 -0.0093 2888 GLN 512 HB2 0.0009 0.0005 -0.0092 2889 GLN 512 HB3 0.0009 0.0005 -0.0094 2890 GLN 512 CG 0.0010 0.0007 -0.0092 2891 GLN 512 HG2 0.0010 0.0006 -0.0093 2892 GLN 512 HG3 0.0009 0.0007 -0.0091 2893 GLN 512 CD 0.0011 0.0008 -0.0092 2894 GLN 512 OE1 0.0011 0.0009 -0.0091 2895 GLN 512 NE2 0.0012 0.0008 -0.0093 2896 GLN 512 HE21 0.0013 0.0008 -0.0094 2897 GLN 512 HE22 0.0012 0.0007 -0.0094 2898 MET 513 N 0.0011 0.0006 -0.0097 2899 MET 513 HN 0.0011 0.0004 -0.0098 2900 MET 513 CA 0.0010 0.0005 -0.0100 2901 MET 513 HA 0.0010 0.0007 -0.0098 2902 MET 513 C 0.0012 0.0001 -0.0100 2903 MET 513 O 0.0012 0.0000 -0.0100 2904 MET 513 CB 0.0009 0.0007 -0.0104 2905 MET 513 HB2 0.0009 0.0005 -0.0106 2906 MET 513 HB3 0.0008 0.0009 -0.0103 2907 MET 513 CG 0.0008 0.0007 -0.0106 2908 MET 513 HG2 0.0009 0.0005 -0.0106 2909 MET 513 HG3 0.0007 0.0009 -0.0109 2910 MET 513 SD 0.0007 0.0011 -0.0102 2911 MET 513 CE 0.0008 0.0008 -0.0103 2912 MET 513 HE1 0.0008 0.0010 -0.0101 2913 MET 513 HE2 0.0010 0.0005 -0.0103 2914 MET 513 HE3 0.0007 0.0009 -0.0106 2915 LEU 514 N 0.0014 -0.0002 -0.0099 2916 LEU 514 HN 0.0013 -0.0002 -0.0100 2917 LEU 514 CA 0.0015 -0.0006 -0.0099 2918 LEU 514 HA 0.0016 -0.0005 -0.0097 2919 LEU 514 C 0.0017 -0.0009 -0.0096 2920 LEU 514 O 0.0019 -0.0012 -0.0097 2921 LEU 514 CB 0.0016 -0.0008 -0.0103 2922 LEU 514 HB2 0.0014 -0.0006 -0.0105 2923 LEU 514 HB3 0.0016 -0.0010 -0.0104 2924 LEU 514 CG 0.0016 -0.0010 -0.0102 2925 LEU 514 HG 0.0016 -0.0008 -0.0101 2926 LEU 514 CD1 0.0016 -0.0011 -0.0106 2927 LEU 514 HD11 0.0017 -0.0013 -0.0108 2928 LEU 514 HD12 0.0015 -0.0009 -0.0108 2929 LEU 514 HD13 0.0017 -0.0012 -0.0106 2930 LEU 514 CD2 0.0019 -0.0013 -0.0099 2931 LEU 514 HD21 0.0019 -0.0015 -0.0101 2932 LEU 514 HD22 0.0019 -0.0014 -0.0099 2933 LEU 514 HD23 0.0019 -0.0012 -0.0096 2934 LYS 515 N 0.0011 0.0000 -0.0087 2935 LYS 515 HN 0.0010 0.0001 -0.0087 2936 LYS 515 CA 0.0013 -0.0001 -0.0085 2937 LYS 515 HA 0.0014 -0.0002 -0.0086 2938 LYS 515 C 0.0012 0.0000 -0.0083 2939 LYS 515 O 0.0014 -0.0001 -0.0082 2940 LYS 515 CB 0.0014 -0.0001 -0.0084 2941 LYS 515 HB2 0.0013 -0.0000 -0.0084 2942 LYS 515 HB3 0.0014 -0.0001 -0.0082 2943 LYS 515 CG 0.0016 -0.0003 -0.0084 2944 LYS 515 HG2 0.0016 -0.0003 -0.0086 2945 LYS 515 HG3 0.0016 -0.0003 -0.0083 2946 LYS 515 CD 0.0018 -0.0004 -0.0083 2947 LYS 515 HD2 0.0017 -0.0004 -0.0084 2948 LYS 515 HD3 0.0018 -0.0003 -0.0081 2949 LYS 515 CE 0.0020 -0.0005 -0.0084 2950 LYS 515 HE2 0.0020 -0.0006 -0.0083 2951 LYS 515 HE3 0.0019 -0.0006 -0.0086 2952 LYS 515 NZ 0.0021 -0.0007 -0.0084 2953 LYS 515 HZ1 0.0021 -0.0006 -0.0082 2954 LYS 515 HZ2 0.0023 -0.0008 -0.0084 2955 LYS 515 HZ3 0.0021 -0.0007 -0.0085 2956 HIS 516 N 0.0010 0.0002 -0.0083 2957 HIS 516 HN 0.0009 0.0002 -0.0084 2958 HIS 516 CA 0.0010 0.0002 -0.0082 2959 HIS 516 HA 0.0011 0.0002 -0.0081 2960 HIS 516 C 0.0010 0.0002 -0.0084 2961 HIS 516 O 0.0010 0.0002 -0.0084 2962 HIS 516 CB 0.0008 0.0004 -0.0082 2963 HIS 516 HB2 0.0007 0.0005 -0.0083 2964 HIS 516 HB3 0.0008 0.0004 -0.0080 2965 HIS 516 CG 0.0007 0.0005 -0.0080 2966 HIS 516 ND1 0.0005 0.0006 -0.0081 2967 HIS 516 HD1 0.0004 0.0007 -0.0082 2968 HIS 516 CD2 0.0008 0.0004 -0.0079 2969 HIS 516 HD2 0.0010 0.0003 -0.0078 2970 HIS 516 CE1 0.0005 0.0007 -0.0079 2971 HIS 516 HE1 0.0004 0.0008 -0.0079 2972 HIS 516 NE2 0.0007 0.0005 -0.0078 2973 HIS 516 HE2 0.0007 0.0005 -0.0077 2974 THR 517 N 0.0009 -0.0020 -0.0082 2975 THR 517 HN 0.0006 -0.0019 -0.0087 2976 THR 517 CA 0.0009 -0.0025 -0.0080 2977 THR 517 HA 0.0006 -0.0027 -0.0086 2978 THR 517 C 0.0011 -0.0019 -0.0078 2979 THR 517 O 0.0013 -0.0022 -0.0073 2980 THR 517 CB 0.0011 -0.0032 -0.0075 2981 THR 517 HB 0.0014 -0.0031 -0.0069 2982 THR 517 OG1 0.0009 -0.0037 -0.0078 2983 THR 517 HG1 0.0008 -0.0032 -0.0080 2984 THR 517 CG2 0.0010 -0.0039 -0.0075 2985 THR 517 HG21 0.0007 -0.0040 -0.0081 2986 THR 517 HG22 0.0011 -0.0037 -0.0073 2987 THR 517 HG23 0.0010 -0.0044 -0.0072 2988 PRO 518 N 0.0010 -0.0012 -0.0082 2989 PRO 518 CA 0.0011 -0.0008 -0.0081 2990 PRO 518 HA 0.0014 -0.0009 -0.0075 2991 PRO 518 C 0.0008 -0.0011 -0.0086 2992 PRO 518 O 0.0009 -0.0008 -0.0085 2993 PRO 518 CB 0.0011 0.0001 -0.0083 2994 PRO 518 HB2 0.0011 0.0005 -0.0085 2995 PRO 518 HB3 0.0014 0.0004 -0.0078 2996 PRO 518 CG 0.0008 0.0000 -0.0089 2997 PRO 518 HG2 0.0008 0.0006 -0.0090 2998 PRO 518 HG3 0.0005 -0.0001 -0.0095 2999 PRO 518 CD 0.0008 -0.0007 -0.0087 3000 PRO 518 HD2 0.0010 -0.0005 -0.0083 3001 PRO 518 HD3 0.0006 -0.0010 -0.0091 3002 VAL 519 N 0.0017 -0.0008 -0.0090 3003 VAL 519 HN 0.0018 -0.0012 -0.0089 3004 VAL 519 CA 0.0016 -0.0012 -0.0098 3005 VAL 519 HA 0.0014 -0.0005 -0.0101 3006 VAL 519 C 0.0020 -0.0020 -0.0092 3007 VAL 519 O 0.0023 -0.0029 -0.0088 3008 VAL 519 CB 0.0016 -0.0018 -0.0109 3009 VAL 519 HB 0.0018 -0.0025 -0.0106 3010 VAL 519 CG1 0.0012 -0.0010 -0.0116 3011 VAL 519 HG11 0.0010 -0.0003 -0.0118 3012 VAL 519 HG12 0.0012 -0.0014 -0.0124 3013 VAL 519 HG13 0.0013 -0.0008 -0.0112 3014 VAL 519 CG2 0.0015 -0.0024 -0.0116 3015 VAL 519 HG21 0.0014 -0.0017 -0.0118 3016 VAL 519 HG22 0.0018 -0.0030 -0.0112 3017 VAL 519 HG23 0.0015 -0.0027 -0.0124 3018 GLU 520 N 0.0019 -0.0017 -0.0091 3019 GLU 520 HN 0.0017 -0.0010 -0.0094 3020 GLU 520 CA 0.0022 -0.0024 -0.0086 3021 GLU 520 HA 0.0024 -0.0028 -0.0079 3022 GLU 520 C 0.0022 -0.0032 -0.0096 3023 GLU 520 O 0.0020 -0.0030 -0.0104 3024 GLU 520 CB 0.0021 -0.0016 -0.0082 3025 GLU 520 HB2 0.0018 -0.0009 -0.0088 3026 GLU 520 HB3 0.0022 -0.0021 -0.0083 3027 GLU 520 CG 0.0022 -0.0011 -0.0070 3028 GLU 520 HG2 0.0021 -0.0005 -0.0068 3029 GLU 520 HG3 0.0021 -0.0007 -0.0070 3030 GLU 520 CD 0.0026 -0.0020 -0.0061 3031 GLU 520 OE1 0.0027 -0.0019 -0.0053 3032 GLU 520 OE2 0.0028 -0.0027 -0.0063 3033 HIS 521 N 0.0037 -0.0025 -0.0105 3034 HIS 521 HN 0.0038 -0.0025 -0.0099 3035 HIS 521 CA 0.0041 -0.0031 -0.0111 3036 HIS 521 HA 0.0045 -0.0035 -0.0108 3037 HIS 521 C 0.0039 -0.0032 -0.0120 3038 HIS 521 O 0.0041 -0.0034 -0.0122 3039 HIS 521 CB 0.0044 -0.0035 -0.0113 3040 HIS 521 HB2 0.0049 -0.0039 -0.0109 3041 HIS 521 HB3 0.0044 -0.0037 -0.0120 3042 HIS 521 CG 0.0040 -0.0030 -0.0110 3043 HIS 521 ND1 0.0035 -0.0025 -0.0115 3044 HIS 521 HD1 0.0032 -0.0024 -0.0121 3045 HIS 521 CD2 0.0041 -0.0029 -0.0101 3046 HIS 521 HD2 0.0044 -0.0031 -0.0095 3047 HIS 521 CE1 0.0032 -0.0021 -0.0109 3048 HIS 521 HE1 0.0028 -0.0016 -0.0111 3049 HIS 521 NE2 0.0036 -0.0023 -0.0101 3050 HIS 521 HE2 0.0034 -0.0019 -0.0095 3051 GLU 522 N 0.0036 -0.0029 -0.0127 3052 GLU 522 HN 0.0033 -0.0025 -0.0125 3053 GLU 522 CA 0.0036 -0.0032 -0.0137 3054 GLU 522 HA 0.0041 -0.0037 -0.0137 3055 GLU 522 C 0.0033 -0.0029 -0.0141 3056 GLU 522 O 0.0033 -0.0031 -0.0149 3057 GLU 522 CB 0.0034 -0.0031 -0.0143 3058 GLU 522 HB2 0.0035 -0.0033 -0.0150 3059 GLU 522 HB3 0.0037 -0.0033 -0.0140 3060 GLU 522 CG 0.0027 -0.0023 -0.0143 3061 GLU 522 HG2 0.0026 -0.0023 -0.0148 3062 GLU 522 HG3 0.0024 -0.0020 -0.0147 3063 GLU 522 CD 0.0025 -0.0018 -0.0134 3064 GLU 522 OE1 0.0029 -0.0022 -0.0128 3065 GLU 522 OE2 0.0019 -0.0012 -0.0134 3066 ASP 523 N 0.0020 -0.0011 -0.0130 3067 ASP 523 HN 0.0021 -0.0010 -0.0128 3068 ASP 523 CA 0.0018 -0.0009 -0.0129 3069 ASP 523 HA 0.0018 -0.0010 -0.0131 3070 ASP 523 C 0.0020 -0.0008 -0.0125 3071 ASP 523 O 0.0018 -0.0007 -0.0123 3072 ASP 523 CB 0.0014 -0.0008 -0.0129 3073 ASP 523 HB2 0.0012 -0.0007 -0.0127 3074 ASP 523 HB3 0.0013 -0.0007 -0.0127 3075 ASP 523 CG 0.0012 -0.0009 -0.0133 3076 ASP 523 OD1 0.0010 -0.0009 -0.0134 3077 ASP 523 OD2 0.0011 -0.0010 -0.0135 3078 ARG 524 N 0.0024 -0.0009 -0.0124 3079 ARG 524 HN 0.0025 -0.0010 -0.0126 3080 ARG 524 CA 0.0026 -0.0008 -0.0121 3081 ARG 524 HA 0.0025 -0.0007 -0.0118 3082 ARG 524 C 0.0026 -0.0008 -0.0121 3083 ARG 524 O 0.0027 -0.0007 -0.0118 3084 ARG 524 CB 0.0031 -0.0009 -0.0120 3085 ARG 524 HB2 0.0031 -0.0009 -0.0120 3086 ARG 524 HB3 0.0032 -0.0011 -0.0122 3087 ARG 524 CG 0.0033 -0.0008 -0.0116 3088 ARG 524 HG2 0.0031 -0.0007 -0.0114 3089 ARG 524 HG3 0.0034 -0.0009 -0.0117 3090 ARG 524 CD 0.0037 -0.0009 -0.0115 3091 ARG 524 HD2 0.0036 -0.0009 -0.0115 3092 ARG 524 HD3 0.0038 -0.0008 -0.0112 3093 ARG 524 NE 0.0040 -0.0011 -0.0117 3094 ARG 524 HE 0.0041 -0.0012 -0.0119 3095 ARG 524 CZ 0.0042 -0.0012 -0.0117 3096 ARG 524 NH1 0.0042 -0.0011 -0.0115 3097 ARG 524 HH11 0.0040 -0.0009 -0.0113 3098 ARG 524 HH12 0.0044 -0.0011 -0.0115 3099 ARG 524 NH2 0.0045 -0.0014 -0.0120 3100 ARG 524 HH21 0.0046 -0.0015 -0.0122 3101 ARG 524 HH22 0.0047 -0.0015 -0.0120 3102 GLU 525 N 0.0029 0.0000 -0.0121 3103 GLU 525 HN 0.0029 -0.0000 -0.0124 3104 GLU 525 CA 0.0030 0.0000 -0.0121 3105 GLU 525 HA 0.0032 0.0001 -0.0119 3106 GLU 525 C 0.0027 0.0001 -0.0120 3107 GLU 525 O 0.0027 0.0002 -0.0119 3108 GLU 525 CB 0.0032 -0.0001 -0.0125 3109 GLU 525 HB2 0.0033 -0.0001 -0.0124 3110 GLU 525 HB3 0.0035 -0.0002 -0.0125 3111 GLU 525 CG 0.0030 -0.0002 -0.0128 3112 GLU 525 HG2 0.0029 -0.0002 -0.0129 3113 GLU 525 HG3 0.0032 -0.0003 -0.0130 3114 GLU 525 CD 0.0026 -0.0001 -0.0129 3115 GLU 525 OE1 0.0027 -0.0001 -0.0128 3116 GLU 525 OE2 0.0023 -0.0001 -0.0129 3117 ARG 526 N 0.0023 0.0002 -0.0121 3118 ARG 526 HN 0.0023 0.0001 -0.0122 3119 ARG 526 CA 0.0020 0.0003 -0.0119 3120 ARG 526 HA 0.0021 0.0003 -0.0120 3121 ARG 526 C 0.0020 0.0004 -0.0115 3122 ARG 526 O 0.0019 0.0005 -0.0113 3123 ARG 526 CB 0.0016 0.0003 -0.0121 3124 ARG 526 HB2 0.0016 0.0002 -0.0123 3125 ARG 526 HB3 0.0014 0.0004 -0.0119 3126 ARG 526 CG 0.0015 0.0002 -0.0124 3127 ARG 526 HG2 0.0015 0.0003 -0.0122 3128 ARG 526 HG3 0.0012 0.0003 -0.0125 3129 ARG 526 CD 0.0017 0.0001 -0.0127 3130 ARG 526 HD2 0.0020 0.0001 -0.0126 3131 ARG 526 HD3 0.0016 0.0001 -0.0129 3132 ARG 526 NE 0.0017 0.0000 -0.0129 3133 ARG 526 HE 0.0020 -0.0000 -0.0129 3134 ARG 526 CZ 0.0014 0.0000 -0.0131 3135 ARG 526 NH1 0.0011 0.0001 -0.0132 3136 ARG 526 HH11 0.0011 0.0001 -0.0131 3137 ARG 526 HH12 0.0009 0.0001 -0.0132 3138 ARG 526 NH2 0.0014 0.0000 -0.0132 3139 ARG 526 HH21 0.0015 -0.0000 -0.0132 3140 ARG 526 HH22 0.0011 0.0000 -0.0133 3141 LEU 527 N 0.0013 -0.0000 -0.0110 3142 LEU 527 HN 0.0013 -0.0002 -0.0112 3143 LEU 527 CA 0.0013 0.0001 -0.0108 3144 LEU 527 HA 0.0011 0.0001 -0.0106 3145 LEU 527 C 0.0016 0.0003 -0.0106 3146 LEU 527 O 0.0016 0.0005 -0.0103 3147 LEU 527 CB 0.0014 0.0000 -0.0109 3148 LEU 527 HB2 0.0013 -0.0001 -0.0111 3149 LEU 527 HB3 0.0016 0.0001 -0.0109 3150 LEU 527 CG 0.0012 0.0001 -0.0107 3151 LEU 527 HG 0.0012 0.0000 -0.0108 3152 LEU 527 CD1 0.0012 0.0003 -0.0104 3153 LEU 527 HD11 0.0011 0.0004 -0.0102 3154 LEU 527 HD12 0.0015 0.0004 -0.0104 3155 LEU 527 HD13 0.0011 0.0003 -0.0103 3156 LEU 527 CD2 0.0008 -0.0001 -0.0107 3157 LEU 527 HD21 0.0007 -0.0000 -0.0106 3158 LEU 527 HD22 0.0006 -0.0000 -0.0106 3159 LEU 527 HD23 0.0007 -0.0002 -0.0109 3160 LEU 528 N 0.0019 0.0003 -0.0107 3161 LEU 528 HN 0.0019 0.0002 -0.0110 3162 LEU 528 CA 0.0021 0.0006 -0.0106 3163 LEU 528 HA 0.0021 0.0007 -0.0104 3164 LEU 528 C 0.0020 0.0007 -0.0103 3165 LEU 528 O 0.0021 0.0008 -0.0101 3166 LEU 528 CB 0.0025 0.0006 -0.0107 3167 LEU 528 HB2 0.0026 0.0008 -0.0106 3168 LEU 528 HB3 0.0025 0.0005 -0.0109 3169 LEU 528 CG 0.0025 0.0006 -0.0109 3170 LEU 528 HG 0.0023 0.0004 -0.0109 3171 LEU 528 CD1 0.0026 0.0008 -0.0106 3172 LEU 528 HD11 0.0028 0.0009 -0.0105 3173 LEU 528 HD12 0.0024 0.0008 -0.0104 3174 LEU 528 HD13 0.0027 0.0007 -0.0107 3175 LEU 528 CD2 0.0028 0.0005 -0.0111 3176 LEU 528 HD21 0.0031 0.0007 -0.0110 3177 LEU 528 HD22 0.0029 0.0005 -0.0112 3178 LEU 528 HD23 0.0028 0.0004 -0.0113 3179 ARG 529 N 0.0022 0.0015 -0.0102 3180 ARG 529 HN 0.0020 0.0014 -0.0106 3181 ARG 529 CA 0.0022 0.0015 -0.0096 3182 ARG 529 HA 0.0026 0.0018 -0.0094 3183 ARG 529 C 0.0018 0.0014 -0.0091 3184 ARG 529 O 0.0017 0.0014 -0.0086 3185 ARG 529 CB 0.0020 0.0015 -0.0098 3186 ARG 529 HB2 0.0017 0.0012 -0.0101 3187 ARG 529 HB3 0.0019 0.0014 -0.0094 3188 ARG 529 CG 0.0025 0.0017 -0.0102 3189 ARG 529 HG2 0.0026 0.0017 -0.0106 3190 ARG 529 HG3 0.0028 0.0019 -0.0099 3191 ARG 529 CD 0.0023 0.0016 -0.0104 3192 ARG 529 HD2 0.0023 0.0016 -0.0100 3193 ARG 529 HD3 0.0019 0.0013 -0.0105 3194 ARG 529 NE 0.0026 0.0017 -0.0108 3195 ARG 529 HE 0.0029 0.0018 -0.0107 3196 ARG 529 CZ 0.0025 0.0016 -0.0114 3197 ARG 529 NH1 0.0022 0.0014 -0.0116 3198 ARG 529 HH11 0.0021 0.0014 -0.0114 3199 ARG 529 HH12 0.0022 0.0013 -0.0121 3200 ARG 529 NH2 0.0028 0.0017 -0.0119 3201 ARG 529 HH21 0.0030 0.0018 -0.0118 3202 ARG 529 HH22 0.0027 0.0016 -0.0123 3203 ALA 530 N 0.0016 0.0013 -0.0093 3204 ALA 530 HN 0.0016 0.0013 -0.0097 3205 ALA 530 CA 0.0014 0.0012 -0.0088 3206 ALA 530 HA 0.0015 0.0013 -0.0084 3207 ALA 530 C 0.0017 0.0014 -0.0089 3208 ALA 530 O 0.0015 0.0013 -0.0088 3209 ALA 530 CB 0.0008 0.0009 -0.0089 3210 ALA 530 HB1 0.0007 0.0008 -0.0094 3211 ALA 530 HB2 0.0006 0.0008 -0.0087 3212 ALA 530 HB3 0.0006 0.0008 -0.0087 3213 GLN 531 N 0.0010 0.0006 -0.0084 3214 GLN 531 HN 0.0009 0.0005 -0.0084 3215 GLN 531 CA 0.0012 0.0007 -0.0084 3216 GLN 531 HA 0.0012 0.0008 -0.0084 3217 GLN 531 C 0.0013 0.0008 -0.0084 3218 GLN 531 O 0.0013 0.0007 -0.0085 3219 GLN 531 CB 0.0013 0.0006 -0.0086 3220 GLN 531 HB2 0.0014 0.0007 -0.0086 3221 GLN 531 HB3 0.0012 0.0005 -0.0086 3222 GLN 531 CG 0.0015 0.0005 -0.0087 3223 GLN 531 HG2 0.0014 0.0004 -0.0087 3224 GLN 531 HG3 0.0015 0.0003 -0.0088 3225 GLN 531 CD 0.0017 0.0006 -0.0087 3226 GLN 531 OE1 0.0018 0.0006 -0.0088 3227 GLN 531 NE2 0.0017 0.0006 -0.0087 3228 GLN 531 HE21 0.0019 0.0007 -0.0087 3229 GLN 531 HE22 0.0016 0.0006 -0.0087 3230 ARG 532 N 0.0014 0.0010 -0.0084 3231 ARG 532 HN 0.0015 0.0010 -0.0084 3232 ARG 532 CA 0.0015 0.0011 -0.0083 3233 ARG 532 HA 0.0013 0.0011 -0.0083 3234 ARG 532 C 0.0015 0.0013 -0.0082 3235 ARG 532 O 0.0016 0.0015 -0.0082 3236 ARG 532 CB 0.0017 0.0011 -0.0084 3237 ARG 532 HB2 0.0017 0.0010 -0.0085 3238 ARG 532 HB3 0.0018 0.0012 -0.0085 3239 ARG 532 CG 0.0017 0.0012 -0.0084 3240 ARG 532 HG2 0.0016 0.0014 -0.0083 3241 ARG 532 HG3 0.0018 0.0013 -0.0084 3242 ARG 532 CD 0.0016 0.0011 -0.0084 3243 ARG 532 HD2 0.0016 0.0012 -0.0084 3244 ARG 532 HD3 0.0015 0.0009 -0.0085 3245 ARG 532 NE 0.0013 0.0012 -0.0083 3246 ARG 532 HE 0.0013 0.0013 -0.0082 3247 ARG 532 CZ 0.0012 0.0010 -0.0083 3248 ARG 532 NH1 0.0012 0.0008 -0.0084 3249 ARG 532 HH11 0.0013 0.0008 -0.0085 3250 ARG 532 HH12 0.0010 0.0007 -0.0084 3251 ARG 532 NH2 0.0010 0.0011 -0.0082 3252 ARG 532 HH21 0.0010 0.0013 -0.0081 3253 ARG 532 HH22 0.0009 0.0010 -0.0082 3254 HIS 533 N -0.0024 0.0021 -0.0059 3255 HIS 533 HN -0.0026 0.0018 -0.0055 3256 HIS 533 CA -0.0027 0.0028 -0.0060 3257 HIS 533 HA -0.0023 0.0030 -0.0064 3258 HIS 533 C -0.0030 0.0033 -0.0061 3259 HIS 533 O -0.0032 0.0031 -0.0058 3260 HIS 533 CB -0.0031 0.0028 -0.0057 3261 HIS 533 HB2 -0.0035 0.0027 -0.0053 3262 HIS 533 HB3 -0.0030 0.0024 -0.0056 3263 HIS 533 CG -0.0033 0.0035 -0.0059 3264 HIS 533 ND1 -0.0029 0.0037 -0.0064 3265 HIS 533 HD1 -0.0025 0.0034 -0.0066 3266 HIS 533 CD2 -0.0038 0.0040 -0.0058 3267 HIS 533 HD2 -0.0043 0.0040 -0.0055 3268 HIS 533 CE1 -0.0031 0.0043 -0.0065 3269 HIS 533 HE1 -0.0029 0.0046 -0.0069 3270 HIS 533 NE2 -0.0037 0.0045 -0.0062 3271 HIS 533 HE2 -0.0040 0.0050 -0.0062 3272 ILE 534 N -0.0029 0.0039 -0.0065 3273 ILE 534 HN -0.0027 0.0040 -0.0067 3274 ILE 534 CA -0.0030 0.0044 -0.0067 3275 ILE 534 HA -0.0029 0.0048 -0.0070 3276 ILE 534 C -0.0025 0.0041 -0.0069 3277 ILE 534 O -0.0025 0.0044 -0.0071 3278 ILE 534 CB -0.0036 0.0046 -0.0063 3279 ILE 534 HB -0.0036 0.0042 -0.0060 3280 ILE 534 CG1 -0.0041 0.0046 -0.0059 3281 ILE 534 HG12 -0.0041 0.0042 -0.0057 3282 ILE 534 HG13 -0.0045 0.0047 -0.0056 3283 ILE 534 CG2 -0.0037 0.0052 -0.0065 3284 ILE 534 HG21 -0.0036 0.0056 -0.0068 3285 ILE 534 HG22 -0.0035 0.0051 -0.0067 3286 ILE 534 HG23 -0.0042 0.0054 -0.0063 3287 ILE 534 CD1 -0.0042 0.0052 -0.0062 3288 ILE 534 HD11 -0.0038 0.0051 -0.0065 3289 ILE 534 HD12 -0.0043 0.0057 -0.0064 3290 ILE 534 HD13 -0.0045 0.0052 -0.0059 3291 HIS 535 N -0.0010 0.0032 -0.0072 3292 HIS 535 HN -0.0011 0.0033 -0.0069 3293 HIS 535 CA -0.0007 0.0031 -0.0075 3294 HIS 535 HA -0.0007 0.0031 -0.0073 3295 HIS 535 C -0.0002 0.0029 -0.0074 3296 HIS 535 O 0.0001 0.0028 -0.0077 3297 HIS 535 CB -0.0008 0.0031 -0.0080 3298 HIS 535 HB2 -0.0007 0.0031 -0.0081 3299 HIS 535 HB3 -0.0007 0.0031 -0.0082 3300 HIS 535 CG -0.0013 0.0033 -0.0081 3301 HIS 535 ND1 -0.0016 0.0034 -0.0083 3302 HIS 535 HD1 -0.0015 0.0033 -0.0084 3303 HIS 535 CD2 -0.0016 0.0034 -0.0080 3304 HIS 535 HD2 -0.0016 0.0034 -0.0079 3305 HIS 535 CE1 -0.0020 0.0035 -0.0084 3306 HIS 535 HE1 -0.0023 0.0036 -0.0086 3307 HIS 535 NE2 -0.0020 0.0035 -0.0082 3308 HIS 535 HE2 -0.0024 0.0036 -0.0083 3309 CYS 536 N -0.0001 0.0029 -0.0070 3310 CYS 536 HN -0.0003 0.0030 -0.0068 3311 CYS 536 CA 0.0004 0.0028 -0.0069 3312 CYS 536 HA 0.0006 0.0027 -0.0070 3313 CYS 536 C 0.0005 0.0027 -0.0064 3314 CYS 536 O 0.0003 0.0028 -0.0061 3315 CYS 536 CB 0.0005 0.0027 -0.0072 3316 CYS 536 HB2 0.0009 0.0026 -0.0071 3317 CYS 536 HB3 0.0004 0.0028 -0.0071 3318 CYS 536 SG 0.0005 0.0027 -0.0079 3319 CYS 536 HG 0.0008 0.0026 -0.0079 3320 LEU 537 N 0.0010 0.0019 -0.0075 3321 LEU 537 HN 0.0009 0.0019 -0.0074 3322 LEU 537 CA 0.0009 0.0018 -0.0074 3323 LEU 537 HA 0.0010 0.0017 -0.0075 3324 LEU 537 C 0.0009 0.0020 -0.0071 3325 LEU 537 O 0.0009 0.0020 -0.0069 3326 LEU 537 CB 0.0009 0.0015 -0.0072 3327 LEU 537 HB2 0.0010 0.0014 -0.0074 3328 LEU 537 HB3 0.0009 0.0015 -0.0070 3329 LEU 537 CG 0.0009 0.0013 -0.0071 3330 LEU 537 HG 0.0009 0.0012 -0.0073 3331 LEU 537 CD1 0.0009 0.0009 -0.0071 3332 LEU 537 HD11 0.0009 0.0009 -0.0069 3333 LEU 537 HD12 0.0009 0.0009 -0.0073 3334 LEU 537 HD13 0.0009 0.0008 -0.0070 3335 LEU 537 CD2 0.0009 0.0013 -0.0068 3336 LEU 537 HD21 0.0008 0.0013 -0.0066 3337 LEU 537 HD22 0.0009 0.0012 -0.0068 3338 LEU 537 HD23 0.0009 0.0015 -0.0068 3339 ALA 538 N 0.0009 0.0021 -0.0072 3340 ALA 538 HN 0.0009 0.0021 -0.0074 3341 ALA 538 CA 0.0009 0.0024 -0.0070 3342 ALA 538 HA 0.0009 0.0026 -0.0071 3343 ALA 538 C 0.0008 0.0023 -0.0066 3344 ALA 538 O 0.0008 0.0026 -0.0065 3345 ALA 538 CB 0.0009 0.0024 -0.0071 3346 ALA 538 HB1 0.0009 0.0022 -0.0070 3347 ALA 538 HB2 0.0009 0.0025 -0.0073 3348 ALA 538 HB3 0.0009 0.0026 -0.0069 3349 VAL 539 N 0.0014 0.0030 -0.0062 3350 VAL 539 HN 0.0011 0.0028 -0.0066 3351 VAL 539 CA 0.0014 0.0029 -0.0057 3352 VAL 539 HA 0.0018 0.0032 -0.0056 3353 VAL 539 C 0.0013 0.0026 -0.0051 3354 VAL 539 O 0.0015 0.0027 -0.0046 3355 VAL 539 CB 0.0011 0.0026 -0.0059 3356 VAL 539 HB 0.0008 0.0024 -0.0062 3357 VAL 539 CG1 0.0010 0.0024 -0.0054 3358 VAL 539 HG11 0.0013 0.0026 -0.0051 3359 VAL 539 HG12 0.0008 0.0021 -0.0051 3360 VAL 539 HG13 0.0008 0.0023 -0.0056 3361 VAL 539 CG2 0.0013 0.0029 -0.0064 3362 VAL 539 HG21 0.0016 0.0031 -0.0061 3363 VAL 539 HG22 0.0010 0.0028 -0.0066 3364 VAL 539 HG23 0.0015 0.0031 -0.0067 3365 ALA 540 N 0.0010 0.0024 -0.0052 3366 ALA 540 HN 0.0009 0.0024 -0.0056 3367 ALA 540 CA 0.0008 0.0020 -0.0047 3368 ALA 540 HA 0.0010 0.0021 -0.0043 3369 ALA 540 C 0.0009 0.0021 -0.0046 3370 ALA 540 O 0.0007 0.0019 -0.0042 3371 ALA 540 CB 0.0003 0.0016 -0.0047 3372 ALA 540 HB1 0.0001 0.0015 -0.0051 3373 ALA 540 HB2 0.0002 0.0016 -0.0049 3374 ALA 540 HB3 0.0001 0.0014 -0.0043 3375 ILE 541 N -0.0003 0.0017 -0.0049 3376 ILE 541 HN -0.0003 0.0016 -0.0048 3377 ILE 541 CA -0.0004 0.0024 -0.0054 3378 ILE 541 HA -0.0002 0.0022 -0.0059 3379 ILE 541 C -0.0008 0.0029 -0.0049 3380 ILE 541 O -0.0009 0.0033 -0.0051 3381 ILE 541 CB -0.0004 0.0029 -0.0059 3382 ILE 541 HB -0.0001 0.0025 -0.0063 3383 ILE 541 CG1 -0.0006 0.0037 -0.0064 3384 ILE 541 HG12 -0.0004 0.0035 -0.0067 3385 ILE 541 HG13 -0.0004 0.0038 -0.0070 3386 ILE 541 CG2 -0.0007 0.0031 -0.0055 3387 ILE 541 HG21 -0.0010 0.0036 -0.0051 3388 ILE 541 HG22 -0.0006 0.0026 -0.0051 3389 ILE 541 HG23 -0.0006 0.0033 -0.0059 3390 ILE 541 CD1 -0.0010 0.0044 -0.0060 3391 ILE 541 HD11 -0.0012 0.0043 -0.0055 3392 ILE 541 HD12 -0.0011 0.0046 -0.0059 3393 ILE 541 HD13 -0.0011 0.0049 -0.0064 3394 ASN 542 N -0.0010 0.0030 -0.0042 3395 ASN 542 HN -0.0009 0.0026 -0.0041 3396 ASN 542 CA -0.0014 0.0034 -0.0036 3397 ASN 542 HA -0.0016 0.0040 -0.0038 3398 ASN 542 C -0.0014 0.0032 -0.0034 3399 ASN 542 O -0.0016 0.0036 -0.0034 3400 ASN 542 CB -0.0016 0.0033 -0.0029 3401 ASN 542 HB2 -0.0014 0.0027 -0.0027 3402 ASN 542 HB3 -0.0017 0.0037 -0.0030 3403 ASN 542 CG -0.0020 0.0035 -0.0021 3404 ASN 542 OD1 -0.0019 0.0030 -0.0017 3405 ASN 542 ND2 -0.0023 0.0043 -0.0020 3406 ASN 542 HD21 -0.0026 0.0045 -0.0015 3407 ASN 542 HD22 -0.0024 0.0047 -0.0023 3408 GLN 543 N -0.0003 0.0031 -0.0020 3409 GLN 543 HN -0.0003 0.0030 -0.0021 3410 GLN 543 CA -0.0001 0.0025 -0.0016 3411 GLN 543 HA -0.0000 0.0028 -0.0012 3412 GLN 543 C -0.0002 0.0023 -0.0021 3413 GLN 543 O -0.0001 0.0021 -0.0019 3414 GLN 543 CB 0.0001 0.0018 -0.0014 3415 GLN 543 HB2 0.0000 0.0017 -0.0019 3416 GLN 543 HB3 0.0002 0.0014 -0.0014 3417 GLN 543 CG 0.0003 0.0019 -0.0007 3418 GLN 543 HG2 0.0003 0.0023 -0.0003 3419 GLN 543 HG3 0.0004 0.0014 -0.0004 3420 GLN 543 CD 0.0002 0.0022 -0.0007 3421 GLN 543 OE1 0.0003 0.0018 -0.0008 3422 GLN 543 NE2 0.0000 0.0030 -0.0008 3423 GLN 543 HE21 -0.0001 0.0032 -0.0010 3424 GLN 543 HE22 -0.0000 0.0033 -0.0008 3425 HIS 544 N -0.0003 0.0021 -0.0029 3426 HIS 544 HN -0.0004 0.0022 -0.0031 3427 HIS 544 CA -0.0004 0.0019 -0.0034 3428 HIS 544 HA -0.0002 0.0015 -0.0031 3429 HIS 544 C -0.0005 0.0026 -0.0034 3430 HIS 544 O -0.0005 0.0024 -0.0034 3431 HIS 544 CB -0.0005 0.0017 -0.0041 3432 HIS 544 HB2 -0.0007 0.0021 -0.0044 3433 HIS 544 HB3 -0.0004 0.0012 -0.0041 3434 HIS 544 CG -0.0006 0.0014 -0.0046 3435 HIS 544 ND1 -0.0008 0.0014 -0.0054 3436 HIS 544 HD1 -0.0009 0.0016 -0.0057 3437 HIS 544 CD2 -0.0005 0.0011 -0.0045 3438 HIS 544 HD2 -0.0004 0.0009 -0.0041 3439 HIS 544 CE1 -0.0008 0.0012 -0.0057 3440 HIS 544 HE1 -0.0010 0.0012 -0.0063 3441 HIS 544 NE2 -0.0006 0.0010 -0.0052 3442 HIS 544 HE2 -0.0006 0.0007 -0.0053 3443 LYS 545 N -0.0032 0.0037 -0.0037 3444 LYS 545 HN -0.0032 0.0036 -0.0034 3445 LYS 545 CA -0.0039 0.0046 -0.0039 3446 LYS 545 HA -0.0038 0.0046 -0.0047 3447 LYS 545 C -0.0042 0.0047 -0.0033 3448 LYS 545 O -0.0045 0.0053 -0.0036 3449 LYS 545 CB -0.0044 0.0051 -0.0037 3450 LYS 545 HB2 -0.0042 0.0049 -0.0041 3451 LYS 545 HB3 -0.0044 0.0050 -0.0029 3452 LYS 545 CG -0.0050 0.0059 -0.0040 3453 LYS 545 HG2 -0.0051 0.0060 -0.0040 3454 LYS 545 HG3 -0.0050 0.0061 -0.0047 3455 LYS 545 CD -0.0056 0.0065 -0.0033 3456 LYS 545 HD2 -0.0056 0.0065 -0.0034 3457 LYS 545 HD3 -0.0061 0.0070 -0.0036 3458 LYS 545 CE -0.0057 0.0063 -0.0022 3459 LYS 545 HE2 -0.0053 0.0058 -0.0019 3460 LYS 545 HE3 -0.0062 0.0068 -0.0018 3461 LYS 545 NZ -0.0056 0.0062 -0.0020 3462 LYS 545 HZ1 -0.0054 0.0058 -0.0013 3463 LYS 545 HZ2 -0.0061 0.0067 -0.0017 3464 LYS 545 HZ3 -0.0054 0.0060 -0.0025 3465 ASP 546 N -0.0040 0.0044 -0.0023 3466 ASP 546 HN -0.0037 0.0040 -0.0021 3467 ASP 546 CA -0.0043 0.0046 -0.0016 3468 ASP 546 HA -0.0048 0.0052 -0.0017 3469 ASP 546 C -0.0040 0.0043 -0.0019 3470 ASP 546 O -0.0043 0.0047 -0.0019 3471 ASP 546 CB -0.0042 0.0043 -0.0006 3472 ASP 546 HB2 -0.0043 0.0043 -0.0001 3473 ASP 546 HB3 -0.0037 0.0037 -0.0005 3474 ASP 546 CG -0.0047 0.0048 -0.0001 3475 ASP 546 OD1 -0.0050 0.0052 -0.0007 3476 ASP 546 OD2 -0.0048 0.0047 0.0008 3477 GLY 547 N -0.0041 0.0035 -0.0001 3478 GLY 547 HN -0.0041 0.0035 -0.0002 3479 GLY 547 CA -0.0037 0.0028 -0.0003 3480 GLY 547 HA2 -0.0033 0.0027 0.0002 3481 GLY 547 HA3 -0.0036 0.0023 -0.0005 3482 GLY 547 C -0.0041 0.0027 -0.0008 3483 GLY 547 O -0.0039 0.0025 -0.0008 3484 SER 548 N -0.0047 0.0029 -0.0014 3485 SER 548 HN -0.0048 0.0031 -0.0014 3486 SER 548 CA -0.0051 0.0029 -0.0019 3487 SER 548 HA -0.0049 0.0023 -0.0021 3488 SER 548 C -0.0053 0.0034 -0.0018 3489 SER 548 O -0.0056 0.0034 -0.0022 3490 SER 548 CB -0.0056 0.0030 -0.0025 3491 SER 548 HB2 -0.0060 0.0030 -0.0030 3492 SER 548 HB3 -0.0058 0.0035 -0.0024 3493 SER 548 OG -0.0055 0.0024 -0.0028 3494 SER 548 HG -0.0053 0.0019 -0.0029 3495 GLU 549 N -0.0084 0.0049 -0.0011 3496 GLU 549 HN -0.0083 0.0049 -0.0009 3497 GLU 549 CA -0.0082 0.0054 -0.0007 3498 GLU 549 HA -0.0084 0.0056 -0.0011 3499 GLU 549 C -0.0077 0.0049 -0.0001 3500 GLU 549 O -0.0075 0.0050 0.0001 3501 GLU 549 CB -0.0081 0.0063 -0.0005 3502 GLU 549 HB2 -0.0082 0.0068 -0.0005 3503 GLU 549 HB3 -0.0083 0.0065 -0.0008 3504 GLU 549 CG -0.0075 0.0064 0.0003 3505 GLU 549 HG2 -0.0073 0.0064 0.0006 3506 GLU 549 HG3 -0.0074 0.0058 0.0004 3507 GLU 549 CD -0.0074 0.0071 0.0006 3508 GLU 549 OE1 -0.0077 0.0077 0.0002 3509 GLU 549 OE2 -0.0069 0.0071 0.0012 3510 GLN 550 N -0.0074 0.0045 0.0002 3511 GLN 550 HN -0.0075 0.0044 0.0000 3512 GLN 550 CA -0.0069 0.0040 0.0009 3513 GLN 550 HA -0.0067 0.0044 0.0011 3514 GLN 550 C -0.0069 0.0032 0.0007 3515 GLN 550 O -0.0066 0.0028 0.0012 3516 GLN 550 CB -0.0066 0.0040 0.0013 3517 GLN 550 HB2 -0.0068 0.0038 0.0010 3518 GLN 550 HB3 -0.0062 0.0036 0.0017 3519 GLN 550 CG -0.0064 0.0049 0.0017 3520 GLN 550 HG2 -0.0066 0.0054 0.0014 3521 GLN 550 HG3 -0.0060 0.0049 0.0022 3522 GLN 550 CD -0.0063 0.0051 0.0018 3523 GLN 550 OE1 -0.0061 0.0046 0.0020 3524 GLN 550 NE2 -0.0065 0.0059 0.0017 3525 GLN 550 HE21 -0.0065 0.0060 0.0017 3526 GLN 550 HE22 -0.0066 0.0064 0.0015 3527 MET 551 N -0.0078 0.0017 0.0035 3528 MET 551 HN -0.0080 0.0020 0.0040 3529 MET 551 CA -0.0077 0.0011 0.0021 3530 MET 551 HA -0.0067 0.0006 0.0020 3531 MET 551 C -0.0088 0.0014 0.0013 3532 MET 551 O -0.0087 0.0009 0.0002 3533 MET 551 CB -0.0077 0.0009 0.0014 3534 MET 551 HB2 -0.0079 0.0006 0.0002 3535 MET 551 HB3 -0.0086 0.0014 0.0016 3536 MET 551 CG -0.0065 0.0004 0.0017 3537 MET 551 HG2 -0.0062 0.0007 0.0029 3538 MET 551 HG3 -0.0056 -0.0001 0.0013 3539 MET 551 SD -0.0066 0.0002 0.0010 3540 MET 551 CE -0.0063 -0.0005 -0.0008 3541 MET 551 HE1 -0.0064 -0.0007 -0.0014 3542 MET 551 HE2 -0.0053 -0.0010 -0.0007 3543 MET 551 HE3 -0.0071 -0.0004 -0.0013 3544 GLU 552 N -0.0100 0.0022 0.0017 3545 GLU 552 HN -0.0101 0.0025 0.0026 3546 GLU 552 CA -0.0113 0.0025 0.0010 3547 GLU 552 HA -0.0110 0.0020 -0.0000 3548 GLU 552 C -0.0120 0.0030 0.0016 3549 GLU 552 O -0.0129 0.0032 0.0009 3550 GLU 552 CB -0.0123 0.0028 0.0006 3551 GLU 552 HB2 -0.0118 0.0026 0.0006 3552 GLU 552 HB3 -0.0130 0.0035 0.0014 3553 GLU 552 CG -0.0131 0.0027 -0.0009 3554 GLU 552 HG2 -0.0124 0.0021 -0.0017 3555 GLU 552 HG3 -0.0134 0.0028 -0.0010 3556 GLU 552 CD -0.0143 0.0032 -0.0010 3557 GLU 552 OE1 -0.0142 0.0030 -0.0015 3558 GLU 552 OE2 -0.0153 0.0039 -0.0006 3559 GLN 553 N -0.0104 0.0039 0.0020 3560 GLN 553 HN -0.0107 0.0043 0.0017 3561 GLN 553 CA -0.0093 0.0041 0.0024 3562 GLN 553 HA -0.0093 0.0039 0.0025 3563 GLN 553 C -0.0088 0.0032 0.0030 3564 GLN 553 O -0.0091 0.0022 0.0031 3565 GLN 553 CB -0.0088 0.0053 0.0023 3566 GLN 553 HB2 -0.0080 0.0053 0.0027 3567 GLN 553 HB3 -0.0092 0.0058 0.0020 3568 GLN 553 CG -0.0089 0.0058 0.0021 3569 GLN 553 HG2 -0.0089 0.0052 0.0023 3570 GLN 553 HG3 -0.0096 0.0062 0.0017 3571 GLN 553 CD -0.0079 0.0066 0.0023 3572 GLN 553 OE1 -0.0071 0.0066 0.0027 3573 GLN 553 NE2 -0.0081 0.0075 0.0020 3574 GLN 553 HE21 -0.0075 0.0080 0.0021 3575 GLN 553 HE22 -0.0088 0.0076 0.0016 3576 ARG 554 N -0.0080 0.0035 0.0033 3577 ARG 554 HN -0.0078 0.0043 0.0031 3578 ARG 554 CA -0.0074 0.0027 0.0038 3579 ARG 554 HA -0.0080 0.0020 0.0037 3580 ARG 554 C -0.0069 0.0033 0.0039 3581 ARG 554 O -0.0066 0.0042 0.0037 3582 ARG 554 CB -0.0067 0.0022 0.0043 3583 ARG 554 HB2 -0.0071 0.0019 0.0042 3584 ARG 554 HB3 -0.0062 0.0029 0.0043 3585 ARG 554 CG -0.0060 0.0013 0.0049 3586 ARG 554 HG2 -0.0065 0.0007 0.0048 3587 ARG 554 HG3 -0.0054 0.0017 0.0051 3588 ARG 554 CD -0.0057 0.0007 0.0052 3589 ARG 554 HD2 -0.0053 0.0013 0.0052 3590 ARG 554 HD3 -0.0064 0.0003 0.0050 3591 ARG 554 NE -0.0050 -0.0001 0.0058 3592 ARG 554 HE -0.0047 -0.0002 0.0060 3593 ARG 554 CZ -0.0046 -0.0007 0.0062 3594 ARG 554 NH1 -0.0050 -0.0006 0.0060 3595 ARG 554 HH11 -0.0056 -0.0001 0.0055 3596 ARG 554 HH12 -0.0048 -0.0011 0.0062 3597 ARG 554 NH2 -0.0040 -0.0014 0.0067 3598 ARG 554 HH21 -0.0038 -0.0016 0.0068 3599 ARG 554 HH22 -0.0038 -0.0019 0.0069 3600 LEU 555 N -0.0033 0.0017 0.0045 3601 LEU 555 HN -0.0033 0.0009 0.0040 3602 LEU 555 CA -0.0024 0.0017 0.0053 3603 LEU 555 HA -0.0024 0.0024 0.0058 3604 LEU 555 C -0.0017 0.0007 0.0054 3605 LEU 555 O -0.0018 0.0003 0.0051 3606 LEU 555 CB -0.0025 0.0017 0.0053 3607 LEU 555 HB2 -0.0032 0.0018 0.0047 3608 LEU 555 HB3 -0.0020 0.0010 0.0053 3609 LEU 555 CG -0.0022 0.0027 0.0061 3610 LEU 555 HG -0.0023 0.0026 0.0060 3611 LEU 555 CD1 -0.0012 0.0026 0.0070 3612 LEU 555 HD11 -0.0011 0.0027 0.0071 3613 LEU 555 HD12 -0.0007 0.0019 0.0070 3614 LEU 555 HD13 -0.0011 0.0033 0.0075 3615 LEU 555 CD2 -0.0029 0.0038 0.0061 3616 LEU 555 HD21 -0.0029 0.0040 0.0063 3617 LEU 555 HD22 -0.0028 0.0044 0.0066 3618 LEU 555 HD23 -0.0037 0.0038 0.0055 3619 ARG 556 N -0.0008 0.0004 0.0060 3620 ARG 556 HN -0.0006 0.0006 0.0063 3621 ARG 556 CA 0.0000 -0.0003 0.0064 3622 ARG 556 HA -0.0002 0.0000 0.0064 3623 ARG 556 C 0.0002 -0.0015 0.0058 3624 ARG 556 O 0.0001 -0.0019 0.0055 3625 ARG 556 CB 0.0010 -0.0001 0.0073 3626 ARG 556 HB2 0.0008 0.0008 0.0077 3627 ARG 556 HB3 0.0012 -0.0004 0.0074 3628 ARG 556 CG 0.0017 -0.0006 0.0077 3629 ARG 556 HG2 0.0019 -0.0015 0.0073 3630 ARG 556 HG3 0.0024 -0.0005 0.0084 3631 ARG 556 CD 0.0015 -0.0002 0.0078 3632 ARG 556 HD2 0.0019 0.0003 0.0085 3633 ARG 556 HD3 0.0008 0.0003 0.0074 3634 ARG 556 NE 0.0018 -0.0011 0.0075 3635 ARG 556 HE 0.0025 -0.0014 0.0080 3636 ARG 556 CZ 0.0012 -0.0014 0.0068 3637 ARG 556 NH1 0.0003 -0.0012 0.0061 3638 ARG 556 HH11 0.0001 -0.0013 0.0059 3639 ARG 556 HH12 -0.0001 -0.0014 0.0056 3640 ARG 556 NH2 0.0015 -0.0021 0.0066 3641 ARG 556 HH21 0.0022 -0.0024 0.0070 3642 ARG 556 HH22 0.0010 -0.0025 0.0059 3643 GLU 557 N 0.0018 -0.0027 0.0059 3644 GLU 557 HN 0.0020 -0.0024 0.0065 3645 GLU 557 CA 0.0023 -0.0032 0.0053 3646 GLU 557 HA 0.0024 -0.0034 0.0050 3647 GLU 557 C 0.0018 -0.0035 0.0046 3648 GLU 557 O 0.0022 -0.0039 0.0041 3649 GLU 557 CB 0.0033 -0.0033 0.0056 3650 GLU 557 HB2 0.0036 -0.0031 0.0060 3651 GLU 557 HB3 0.0032 -0.0031 0.0059 3652 GLU 557 CG 0.0039 -0.0039 0.0049 3653 GLU 557 HG2 0.0038 -0.0041 0.0044 3654 GLU 557 HG3 0.0038 -0.0040 0.0046 3655 GLU 557 CD 0.0050 -0.0040 0.0052 3656 GLU 557 OE1 0.0052 -0.0037 0.0057 3657 GLU 557 OE2 0.0055 -0.0043 0.0049 3658 ILE 558 N 0.0009 -0.0033 0.0045 3659 ILE 558 HN 0.0006 -0.0030 0.0049 3660 ILE 558 CA 0.0003 -0.0036 0.0038 3661 ILE 558 HA 0.0006 -0.0040 0.0032 3662 ILE 558 C -0.0005 -0.0034 0.0037 3663 ILE 558 O -0.0010 -0.0029 0.0043 3664 ILE 558 CB 0.0000 -0.0035 0.0038 3665 ILE 558 HB 0.0007 -0.0036 0.0039 3666 ILE 558 CG1 -0.0004 -0.0039 0.0029 3667 ILE 558 HG12 -0.0010 -0.0038 0.0027 3668 ILE 558 HG13 0.0001 -0.0043 0.0025 3669 ILE 558 CG2 -0.0006 -0.0030 0.0044 3670 ILE 558 HG21 -0.0013 -0.0029 0.0043 3671 ILE 558 HG22 -0.0003 -0.0027 0.0050 3672 ILE 558 HG23 -0.0006 -0.0029 0.0045 3673 ILE 558 CD1 -0.0006 -0.0039 0.0028 3674 ILE 558 HD11 -0.0011 -0.0035 0.0032 3675 ILE 558 HD12 0.0000 -0.0039 0.0030 3676 ILE 558 HD13 -0.0008 -0.0042 0.0022 3677 GLU 559 N -0.0028 -0.0027 0.0048 3678 GLU 559 HN -0.0026 -0.0036 0.0046 3679 GLU 559 CA -0.0030 -0.0029 0.0048 3680 GLU 559 HA -0.0026 -0.0020 0.0051 3681 GLU 559 C -0.0045 -0.0029 0.0046 3682 GLU 559 O -0.0049 -0.0037 0.0043 3683 GLU 559 CB -0.0022 -0.0041 0.0044 3684 GLU 559 HB2 -0.0025 -0.0049 0.0041 3685 GLU 559 HB3 -0.0024 -0.0042 0.0044 3686 GLU 559 CG -0.0006 -0.0040 0.0046 3687 GLU 559 HG2 -0.0002 -0.0049 0.0044 3688 GLU 559 HG3 -0.0003 -0.0038 0.0047 3689 GLU 559 CD 0.0000 -0.0030 0.0050 3690 GLU 559 OE1 0.0013 -0.0028 0.0052 3691 GLU 559 OE2 -0.0008 -0.0024 0.0051 3692 ALA 560 N -0.0053 -0.0020 0.0048 3693 ALA 560 HN -0.0049 -0.0013 0.0051 3694 ALA 560 CA -0.0068 -0.0021 0.0046 3695 ALA 560 HA -0.0070 -0.0026 0.0044 3696 ALA 560 C -0.0074 -0.0007 0.0050 3697 ALA 560 O -0.0068 0.0002 0.0053 3698 ALA 560 CB -0.0072 -0.0029 0.0043 3699 ALA 560 HB1 -0.0071 -0.0023 0.0045 3700 ALA 560 HB2 -0.0066 -0.0038 0.0041 3701 ALA 560 HB3 -0.0083 -0.0032 0.0041 3702 ILE 561 N -0.0115 0.0000 0.0058 3703 ILE 561 HN -0.0119 0.0013 0.0053 3704 ILE 561 CA -0.0120 -0.0013 0.0063 3705 ILE 561 HA -0.0118 -0.0026 0.0068 3706 ILE 561 C -0.0107 -0.0013 0.0064 3707 ILE 561 O -0.0106 -0.0025 0.0069 3708 ILE 561 CB -0.0140 -0.0014 0.0061 3709 ILE 561 HB -0.0142 -0.0026 0.0065 3710 ILE 561 CG1 -0.0146 0.0001 0.0054 3711 ILE 561 HG12 -0.0147 0.0013 0.0049 3712 ILE 561 HG13 -0.0135 0.0004 0.0054 3713 ILE 561 CG2 -0.0154 -0.0016 0.0060 3714 ILE 561 HG21 -0.0153 -0.0004 0.0055 3715 ILE 561 HG22 -0.0151 -0.0027 0.0064 3716 ILE 561 HG23 -0.0168 -0.0018 0.0059 3717 ILE 561 CD1 -0.0163 -0.0003 0.0054 3718 ILE 561 HD11 -0.0176 -0.0003 0.0052 3719 ILE 561 HD12 -0.0163 -0.0016 0.0059 3720 ILE 561 HD13 -0.0165 0.0006 0.0050 3721 VAL 562 N -0.0097 0.0003 0.0060 3722 VAL 562 HN -0.0098 0.0013 0.0056 3723 VAL 562 CA -0.0085 0.0004 0.0061 3724 VAL 562 HA -0.0091 -0.0003 0.0063 3725 VAL 562 C -0.0067 -0.0005 0.0067 3726 VAL 562 O -0.0059 -0.0004 0.0067 3727 VAL 562 CB -0.0081 0.0023 0.0054 3728 VAL 562 HB -0.0072 0.0022 0.0055 3729 VAL 562 CG1 -0.0072 0.0035 0.0050 3730 VAL 562 HG11 -0.0081 0.0038 0.0048 3731 VAL 562 HG12 -0.0067 0.0047 0.0046 3732 VAL 562 HG13 -0.0059 0.0030 0.0054 3733 VAL 562 CG2 -0.0099 0.0030 0.0049 3734 VAL 562 HG21 -0.0110 0.0030 0.0047 3735 VAL 562 HG22 -0.0105 0.0023 0.0051 3736 VAL 562 HG23 -0.0097 0.0044 0.0044 3737 ASP 563 N -0.0059 -0.0018 0.0089 3738 ASP 563 HN -0.0067 -0.0016 0.0086 3739 ASP 563 CA -0.0046 -0.0028 0.0094 3740 ASP 563 HA -0.0037 -0.0023 0.0097 3741 ASP 563 C -0.0041 -0.0025 0.0096 3742 ASP 563 O -0.0049 -0.0022 0.0093 3743 ASP 563 CB -0.0049 -0.0045 0.0093 3744 ASP 563 HB2 -0.0055 -0.0050 0.0091 3745 ASP 563 HB3 -0.0055 -0.0047 0.0091 3746 ASP 563 CG -0.0034 -0.0054 0.0099 3747 ASP 563 OD1 -0.0025 -0.0047 0.0103 3748 ASP 563 OD2 -0.0033 -0.0066 0.0100 3749 GLY 564 N -0.0025 -0.0025 0.0102 3750 GLY 564 HN -0.0019 -0.0029 0.0105 3751 GLY 564 CA -0.0019 -0.0021 0.0105 3752 GLY 564 HA2 -0.0008 -0.0026 0.0109 3753 GLY 564 HA3 -0.0025 -0.0025 0.0102 3754 GLY 564 C -0.0017 -0.0002 0.0105 3755 GLY 564 O -0.0018 0.0004 0.0104 3756 LEU 565 N -0.0042 0.0013 0.0072 3757 LEU 565 HN -0.0046 0.0011 0.0073 3758 LEU 565 CA -0.0039 0.0019 0.0067 3759 LEU 565 HA -0.0038 0.0022 0.0065 3760 LEU 565 C -0.0032 0.0020 0.0070 3761 LEU 565 O -0.0031 0.0017 0.0075 3762 LEU 565 CB -0.0044 0.0021 0.0063 3763 LEU 565 HB2 -0.0046 0.0018 0.0065 3764 LEU 565 HB3 -0.0041 0.0025 0.0060 3765 LEU 565 CG -0.0051 0.0022 0.0058 3766 LEU 565 HG -0.0055 0.0023 0.0055 3767 LEU 565 CD1 -0.0050 0.0027 0.0054 3768 LEU 565 HD11 -0.0047 0.0026 0.0056 3769 LEU 565 HD12 -0.0047 0.0031 0.0051 3770 LEU 565 HD13 -0.0055 0.0027 0.0050 3771 LEU 565 CD2 -0.0056 0.0016 0.0062 3772 LEU 565 HD21 -0.0053 0.0015 0.0064 3773 LEU 565 HD22 -0.0061 0.0016 0.0059 3774 LEU 565 HD23 -0.0058 0.0013 0.0065 3775 ASP 566 N -0.0028 0.0026 0.0066 3776 ASP 566 HN -0.0029 0.0029 0.0063 3777 ASP 566 CA -0.0023 0.0029 0.0066 3778 ASP 566 HA -0.0020 0.0026 0.0071 3779 ASP 566 C -0.0027 0.0030 0.0063 3780 ASP 566 O -0.0034 0.0027 0.0062 3781 ASP 566 CB -0.0017 0.0034 0.0064 3782 ASP 566 HB2 -0.0012 0.0033 0.0067 3783 ASP 566 HB3 -0.0014 0.0037 0.0062 3784 ASP 566 CG -0.0019 0.0037 0.0059 3785 ASP 566 OD1 -0.0014 0.0042 0.0057 3786 ASP 566 OD2 -0.0025 0.0035 0.0058 3787 ASP 567 N -0.0039 0.0034 0.0054 3788 ASP 567 HN -0.0036 0.0035 0.0054 3789 ASP 567 CA -0.0041 0.0034 0.0053 3790 ASP 567 HA -0.0043 0.0032 0.0055 3791 ASP 567 C -0.0045 0.0035 0.0050 3792 ASP 567 O -0.0044 0.0037 0.0048 3793 ASP 567 CB -0.0038 0.0036 0.0052 3794 ASP 567 HB2 -0.0037 0.0034 0.0054 3795 ASP 567 HB3 -0.0040 0.0037 0.0050 3796 ASP 567 CG -0.0035 0.0038 0.0051 3797 ASP 567 OD1 -0.0035 0.0041 0.0048 3798 ASP 567 OD2 -0.0033 0.0038 0.0053 3799 LEU 568 N -0.0048 0.0034 0.0049 3800 LEU 568 HN -0.0048 0.0033 0.0051 3801 LEU 568 CA -0.0052 0.0034 0.0047 3802 LEU 568 HA -0.0052 0.0035 0.0047 3803 LEU 568 C -0.0053 0.0037 0.0044 3804 LEU 568 O -0.0055 0.0038 0.0042 3805 LEU 568 CB -0.0055 0.0032 0.0049 3806 LEU 568 HB2 -0.0055 0.0032 0.0049 3807 LEU 568 HB3 -0.0058 0.0032 0.0047 3808 LEU 568 CG -0.0055 0.0029 0.0052 3809 LEU 568 HG -0.0053 0.0029 0.0054 3810 LEU 568 CD1 -0.0059 0.0027 0.0053 3811 LEU 568 HD11 -0.0062 0.0027 0.0052 3812 LEU 568 HD12 -0.0058 0.0027 0.0053 3813 LEU 568 HD13 -0.0059 0.0024 0.0056 3814 LEU 568 CD2 -0.0056 0.0029 0.0052 3815 LEU 568 HD21 -0.0059 0.0029 0.0050 3816 LEU 568 HD22 -0.0056 0.0027 0.0054 3817 LEU 568 HD23 -0.0053 0.0030 0.0052 3818 VAL 569 N -0.0059 0.0032 0.0035 3819 VAL 569 HN -0.0056 0.0032 0.0040 3820 VAL 569 CA -0.0061 0.0034 0.0030 3821 VAL 569 HA -0.0065 0.0032 0.0027 3822 VAL 569 C -0.0057 0.0041 0.0026 3823 VAL 569 O -0.0058 0.0044 0.0021 3824 VAL 569 CB -0.0060 0.0032 0.0035 3825 VAL 569 HB -0.0055 0.0033 0.0039 3826 VAL 569 CG1 -0.0064 0.0025 0.0039 3827 VAL 569 HG11 -0.0069 0.0022 0.0035 3828 VAL 569 HG12 -0.0064 0.0023 0.0042 3829 VAL 569 HG13 -0.0063 0.0023 0.0042 3830 VAL 569 CG2 -0.0061 0.0033 0.0030 3831 VAL 569 HG21 -0.0066 0.0032 0.0026 3832 VAL 569 HG22 -0.0058 0.0038 0.0028 3833 VAL 569 HG23 -0.0061 0.0031 0.0033 3834 THR 570 N -0.0051 0.0044 0.0030 3835 THR 570 HN -0.0050 0.0042 0.0034 3836 THR 570 CA -0.0046 0.0051 0.0027 3837 THR 570 HA -0.0046 0.0052 0.0026 3838 THR 570 C -0.0047 0.0055 0.0021 3839 THR 570 O -0.0044 0.0060 0.0018 3840 THR 570 CB -0.0040 0.0052 0.0033 3841 THR 570 HB -0.0037 0.0057 0.0032 3842 THR 570 OG1 -0.0041 0.0048 0.0038 3843 THR 570 HG1 -0.0038 0.0047 0.0042 3844 THR 570 CG2 -0.0036 0.0052 0.0038 3845 THR 570 HG21 -0.0039 0.0048 0.0040 3846 THR 570 HG22 -0.0036 0.0056 0.0035 3847 THR 570 HG23 -0.0032 0.0054 0.0042 3848 LYS 571 N -0.0061 0.0055 0.0003 3849 LYS 571 HN -0.0064 0.0053 0.0006 3850 LYS 571 CA -0.0060 0.0056 0.0001 3851 LYS 571 HA -0.0055 0.0057 -0.0000 3852 LYS 571 C -0.0063 0.0057 -0.0005 3853 LYS 571 O -0.0062 0.0057 -0.0007 3854 LYS 571 CB -0.0060 0.0054 0.0006 3855 LYS 571 HB2 -0.0059 0.0055 0.0004 3856 LYS 571 HB3 -0.0056 0.0054 0.0009 3857 LYS 571 CG -0.0066 0.0052 0.0009 3858 LYS 571 HG2 -0.0065 0.0051 0.0012 3859 LYS 571 HG3 -0.0066 0.0051 0.0012 3860 LYS 571 CD -0.0071 0.0051 0.0005 3861 LYS 571 HD2 -0.0070 0.0053 0.0001 3862 LYS 571 HD3 -0.0073 0.0051 0.0004 3863 LYS 571 CE -0.0077 0.0049 0.0008 3864 LYS 571 HE2 -0.0075 0.0049 0.0009 3865 LYS 571 HE3 -0.0081 0.0049 0.0004 3866 LYS 571 NZ -0.0079 0.0047 0.0013 3867 LYS 571 HZ1 -0.0076 0.0047 0.0017 3868 LYS 571 HZ2 -0.0083 0.0046 0.0014 3869 LYS 571 HZ3 -0.0079 0.0047 0.0013 3870 ASP 572 N -0.0067 0.0056 -0.0008 3871 ASP 572 HN -0.0067 0.0056 -0.0006 3872 ASP 572 CA -0.0070 0.0057 -0.0014 3873 ASP 572 HA -0.0072 0.0057 -0.0015 3874 ASP 572 C -0.0076 0.0056 -0.0013 3875 ASP 572 O -0.0077 0.0054 -0.0008 3876 ASP 572 CB -0.0066 0.0060 -0.0019 3877 ASP 572 HB2 -0.0066 0.0060 -0.0019 3878 ASP 572 HB3 -0.0062 0.0061 -0.0018 3879 ASP 572 CG -0.0069 0.0061 -0.0025 3880 ASP 572 OD1 -0.0075 0.0060 -0.0026 3881 ASP 572 OD2 -0.0065 0.0063 -0.0028 3882 ARG 573 N -0.0087 0.0060 -0.0004 3883 ARG 573 HN -0.0088 0.0059 -0.0001 3884 ARG 573 CA -0.0085 0.0060 -0.0004 3885 ARG 573 HA -0.0083 0.0061 -0.0006 3886 ARG 573 C -0.0087 0.0060 -0.0004 3887 ARG 573 O -0.0090 0.0059 -0.0004 3888 ARG 573 CB -0.0083 0.0061 -0.0000 3889 ARG 573 HB2 -0.0084 0.0060 0.0002 3890 ARG 573 HB3 -0.0083 0.0060 0.0001 3891 ARG 573 CG -0.0079 0.0062 -0.0000 3892 ARG 573 HG2 -0.0078 0.0062 0.0003 3893 ARG 573 HG3 -0.0079 0.0062 -0.0001 3894 ARG 573 CD -0.0077 0.0063 -0.0003 3895 ARG 573 HD2 -0.0074 0.0064 -0.0002 3896 ARG 573 HD3 -0.0077 0.0063 -0.0005 3897 ARG 573 NE -0.0076 0.0063 -0.0002 3898 ARG 573 HE -0.0077 0.0063 -0.0004 3899 ARG 573 CZ -0.0075 0.0063 0.0001 3900 ARG 573 NH1 -0.0072 0.0064 0.0003 3901 ARG 573 HH11 -0.0072 0.0064 0.0003 3902 ARG 573 HH12 -0.0071 0.0064 0.0004 3903 ARG 573 NH2 -0.0075 0.0063 0.0001 3904 ARG 573 HH21 -0.0076 0.0063 -0.0001 3905 ARG 573 HH22 -0.0074 0.0063 0.0003 3906 THR 574 N -0.0085 0.0061 -0.0006 3907 THR 574 HN -0.0082 0.0061 -0.0007 3908 THR 574 CA -0.0086 0.0060 -0.0007 3909 THR 574 HA -0.0089 0.0059 -0.0007 3910 THR 574 C -0.0085 0.0060 -0.0003 3911 THR 574 O -0.0082 0.0061 -0.0001 3912 THR 574 CB -0.0084 0.0061 -0.0010 3913 THR 574 HB -0.0081 0.0062 -0.0009 3914 THR 574 OG1 -0.0085 0.0061 -0.0013 3915 THR 574 HG1 -0.0084 0.0062 -0.0015 3916 THR 574 CG2 -0.0085 0.0061 -0.0010 3917 THR 574 HG21 -0.0088 0.0060 -0.0010 3918 THR 574 HG22 -0.0084 0.0061 -0.0008 3919 THR 574 HG23 -0.0084 0.0062 -0.0012 3920 LEU 575 N -0.0097 0.0060 -0.0020 3921 LEU 575 HN -0.0095 0.0062 -0.0018 3922 LEU 575 CA -0.0097 0.0059 -0.0023 3923 LEU 575 HA -0.0099 0.0058 -0.0024 3924 LEU 575 C -0.0096 0.0060 -0.0024 3925 LEU 575 O -0.0097 0.0058 -0.0026 3926 LEU 575 CB -0.0094 0.0060 -0.0025 3927 LEU 575 HB2 -0.0092 0.0062 -0.0024 3928 LEU 575 HB3 -0.0094 0.0060 -0.0028 3929 LEU 575 CG -0.0095 0.0060 -0.0025 3930 LEU 575 HG -0.0096 0.0060 -0.0022 3931 LEU 575 CD1 -0.0092 0.0061 -0.0026 3932 LEU 575 HD11 -0.0092 0.0061 -0.0029 3933 LEU 575 HD12 -0.0091 0.0063 -0.0024 3934 LEU 575 HD13 -0.0093 0.0061 -0.0026 3935 LEU 575 CD2 -0.0097 0.0058 -0.0027 3936 LEU 575 HD21 -0.0097 0.0058 -0.0029 3937 LEU 575 HD22 -0.0098 0.0058 -0.0027 3938 LEU 575 HD23 -0.0099 0.0057 -0.0026 3939 LEU 576 N -0.0094 0.0061 -0.0022 3940 LEU 576 HN -0.0093 0.0062 -0.0020 3941 LEU 576 CA -0.0094 0.0062 -0.0022 3942 LEU 576 HA -0.0096 0.0060 -0.0022 3943 LEU 576 C -0.0094 0.0063 -0.0018 3944 LEU 576 O -0.0093 0.0064 -0.0016 3945 LEU 576 CB -0.0091 0.0063 -0.0024 3946 LEU 576 HB2 -0.0090 0.0063 -0.0025 3947 LEU 576 HB3 -0.0090 0.0064 -0.0023 3948 LEU 576 CG -0.0092 0.0061 -0.0027 3949 LEU 576 HG -0.0093 0.0060 -0.0029 3950 LEU 576 CD1 -0.0089 0.0063 -0.0030 3951 LEU 576 HD11 -0.0088 0.0064 -0.0029 3952 LEU 576 HD12 -0.0088 0.0063 -0.0030 3953 LEU 576 HD13 -0.0090 0.0062 -0.0032 3954 LEU 576 CD2 -0.0094 0.0060 -0.0027 3955 LEU 576 HD21 -0.0093 0.0061 -0.0026 3956 LEU 576 HD22 -0.0094 0.0059 -0.0029 3957 LEU 576 HD23 -0.0096 0.0059 -0.0026 3958 ARG 577 N -0.0105 0.0062 -0.0016 3959 ARG 577 HN -0.0111 0.0064 -0.0018 3960 ARG 577 CA -0.0103 0.0059 -0.0006 3961 ARG 577 HA -0.0096 0.0057 -0.0006 3962 ARG 577 C -0.0105 0.0058 -0.0003 3963 ARG 577 O -0.0111 0.0060 -0.0006 3964 ARG 577 CB -0.0109 0.0058 -0.0001 3965 ARG 577 HB2 -0.0105 0.0055 0.0006 3966 ARG 577 HB3 -0.0108 0.0059 -0.0004 3967 ARG 577 CG -0.0120 0.0059 0.0001 3968 ARG 577 HG2 -0.0123 0.0061 -0.0005 3969 ARG 577 HG3 -0.0123 0.0059 0.0003 3970 ARG 577 CD -0.0122 0.0056 0.0009 3971 ARG 577 HD2 -0.0120 0.0056 0.0008 3972 ARG 577 HD3 -0.0130 0.0057 0.0011 3973 ARG 577 NE -0.0118 0.0053 0.0018 3974 ARG 577 HE -0.0118 0.0052 0.0020 3975 ARG 577 CZ -0.0116 0.0050 0.0025 3976 ARG 577 NH1 -0.0118 0.0050 0.0026 3977 ARG 577 HH11 -0.0123 0.0052 0.0022 3978 ARG 577 HH12 -0.0116 0.0048 0.0033 3979 ARG 577 NH2 -0.0113 0.0047 0.0032 3980 ARG 577 HH21 -0.0114 0.0047 0.0032 3981 ARG 577 HH22 -0.0112 0.0045 0.0038 3982 HIS 578 N -0.0100 0.0055 0.0004 3983 HIS 578 HN -0.0094 0.0053 0.0006 3984 HIS 578 CA -0.0101 0.0053 0.0009 3985 HIS 578 HA -0.0109 0.0054 0.0011 3986 HIS 578 C -0.0096 0.0049 0.0018 3987 HIS 578 O -0.0088 0.0048 0.0018 3988 HIS 578 CB -0.0099 0.0055 0.0003 3989 HIS 578 HB2 -0.0104 0.0057 -0.0002 3990 HIS 578 HB3 -0.0099 0.0053 0.0007 3991 HIS 578 CG -0.0089 0.0055 -0.0002 3992 HIS 578 ND1 -0.0081 0.0053 0.0001 3993 HIS 578 HD1 -0.0080 0.0051 0.0007 3994 HIS 578 CD2 -0.0087 0.0058 -0.0011 3995 HIS 578 HD2 -0.0091 0.0060 -0.0016 3996 HIS 578 CE1 -0.0074 0.0054 -0.0005 3997 HIS 578 HE1 -0.0066 0.0052 -0.0004 3998 HIS 578 NE2 -0.0077 0.0057 -0.0013 3999 HIS 578 HE2 -0.0073 0.0058 -0.0019 4000 ASP 579 N -0.0096 0.0055 0.0037 4001 ASP 579 HN -0.0101 0.0055 0.0034 4002 ASP 579 CA -0.0090 0.0057 0.0049 4003 ASP 579 HA -0.0087 0.0058 0.0052 4004 ASP 579 C -0.0079 0.0058 0.0046 4005 ASP 579 O -0.0080 0.0057 0.0039 4006 ASP 579 CB -0.0099 0.0057 0.0057 4007 ASP 579 HB2 -0.0094 0.0058 0.0064 4008 ASP 579 HB3 -0.0105 0.0056 0.0053 4009 ASP 579 CG -0.0105 0.0057 0.0064 4010 ASP 579 OD1 -0.0115 0.0056 0.0060 4011 ASP 579 OD2 -0.0099 0.0059 0.0073 4012 ILE 580 N -0.0069 0.0059 0.0053 4013 ILE 580 HN -0.0069 0.0060 0.0060 4014 ILE 580 CA -0.0057 0.0060 0.0049 4015 ILE 580 HA -0.0057 0.0060 0.0045 4016 ILE 580 C -0.0049 0.0062 0.0061 4017 ILE 580 O -0.0052 0.0063 0.0070 4018 ILE 580 CB -0.0051 0.0060 0.0041 4019 ILE 580 HB -0.0048 0.0061 0.0046 4020 ILE 580 CG1 -0.0059 0.0058 0.0031 4021 ILE 580 HG12 -0.0067 0.0058 0.0035 4022 ILE 580 HG13 -0.0054 0.0058 0.0026 4023 ILE 580 CG2 -0.0039 0.0060 0.0035 4024 ILE 580 HG21 -0.0041 0.0060 0.0030 4025 ILE 580 HG22 -0.0032 0.0061 0.0041 4026 ILE 580 HG23 -0.0036 0.0060 0.0028 4027 ILE 580 CD1 -0.0062 0.0057 0.0021 4028 ILE 580 HD11 -0.0061 0.0057 0.0024 4029 ILE 580 HD12 -0.0057 0.0057 0.0013 4030 ILE 580 HD13 -0.0072 0.0056 0.0019 4031 ILE 581 N -0.0027 0.0067 0.0055 4032 ILE 581 HN -0.0023 0.0063 0.0050 4033 ILE 581 CA -0.0020 0.0072 0.0063 4034 ILE 581 HA -0.0026 0.0076 0.0068 4035 ILE 581 C -0.0015 0.0069 0.0059 4036 ILE 581 O -0.0007 0.0065 0.0053 4037 ILE 581 CB -0.0012 0.0076 0.0068 4038 ILE 581 HB -0.0015 0.0074 0.0066 4039 ILE 581 CG1 -0.0013 0.0083 0.0079 4040 ILE 581 HG12 -0.0006 0.0086 0.0082 4041 ILE 581 HG13 -0.0013 0.0085 0.0081 4042 ILE 581 CG2 0.0000 0.0074 0.0065 4043 ILE 581 HG21 0.0004 0.0075 0.0067 4044 ILE 581 HG22 0.0001 0.0068 0.0058 4045 ILE 581 HG23 0.0005 0.0076 0.0069 4046 ILE 581 CD1 -0.0025 0.0086 0.0082 4047 ILE 581 HD11 -0.0025 0.0085 0.0080 4048 ILE 581 HD12 -0.0032 0.0084 0.0079 4049 ILE 581 HD13 -0.0025 0.0091 0.0090 4050 THR 582 N -0.0019 0.0072 0.0063 4051 THR 582 HN -0.0025 0.0076 0.0068 4052 THR 582 CA -0.0016 0.0069 0.0059 4053 THR 582 HA -0.0013 0.0064 0.0052 4054 THR 582 C -0.0006 0.0074 0.0065 4055 THR 582 O -0.0007 0.0080 0.0074 4056 THR 582 CB -0.0026 0.0070 0.0060 4057 THR 582 HB -0.0029 0.0075 0.0067 4058 THR 582 OG1 -0.0035 0.0066 0.0054 4059 THR 582 HG1 -0.0032 0.0061 0.0048 4060 THR 582 CG2 -0.0022 0.0068 0.0057 4061 THR 582 HG21 -0.0018 0.0063 0.0050 4062 THR 582 HG22 -0.0017 0.0072 0.0062 4063 THR 582 HG23 -0.0030 0.0068 0.0057 4064 LEU 583 N 0.0002 0.0082 0.0063 4065 LEU 583 HN 0.0003 0.0073 0.0056 4066 LEU 583 CA 0.0012 0.0086 0.0068 4067 LEU 583 HA 0.0011 0.0096 0.0076 4068 LEU 583 C 0.0004 0.0083 0.0064 4069 LEU 583 O 0.0006 0.0072 0.0056 4070 LEU 583 CB 0.0029 0.0081 0.0067 4071 LEU 583 HB2 0.0032 0.0081 0.0068 4072 LEU 583 HB3 0.0030 0.0071 0.0060 4073 LEU 583 CG 0.0040 0.0087 0.0074 4074 LEU 583 HG 0.0036 0.0097 0.0081 4075 LEU 583 CD1 0.0056 0.0086 0.0076 4076 LEU 583 HD11 0.0060 0.0076 0.0069 4077 LEU 583 HD12 0.0056 0.0090 0.0079 4078 LEU 583 HD13 0.0064 0.0090 0.0081 4079 LEU 583 CD2 0.0041 0.0082 0.0070 4080 LEU 583 HD21 0.0046 0.0072 0.0064 4081 LEU 583 HD22 0.0049 0.0087 0.0076 4082 LEU 583 HD23 0.0030 0.0083 0.0069 4083 LYS 584 N -0.0005 0.0093 0.0070 4084 LYS 584 HN -0.0009 0.0100 0.0075 4085 LYS 584 CA -0.0009 0.0094 0.0070 4086 LYS 584 HA -0.0009 0.0085 0.0063 4087 LYS 584 C 0.0005 0.0099 0.0077 4088 LYS 584 O 0.0007 0.0099 0.0077 4089 LYS 584 CB -0.0023 0.0103 0.0074 4090 LYS 584 HB2 -0.0027 0.0107 0.0077 4091 LYS 584 HB3 -0.0021 0.0110 0.0080 4092 LYS 584 CG -0.0037 0.0096 0.0066 4093 LYS 584 HG2 -0.0038 0.0088 0.0060 4094 LYS 584 HG3 -0.0047 0.0102 0.0069 4095 LYS 584 CD -0.0034 0.0092 0.0064 4096 LYS 584 HD2 -0.0022 0.0092 0.0065 4097 LYS 584 HD3 -0.0041 0.0099 0.0068 4098 LYS 584 CE -0.0040 0.0080 0.0053 4099 LYS 584 HE2 -0.0041 0.0078 0.0051 4100 LYS 584 HE3 -0.0052 0.0080 0.0050 4101 LYS 584 NZ -0.0030 0.0070 0.0047 4102 LYS 584 HZ1 -0.0019 0.0069 0.0049 4103 LYS 584 HZ2 -0.0033 0.0061 0.0039 4104 LYS 584 HZ3 -0.0029 0.0070 0.0047 4105 GLY 585 N 0.0014 0.0108 0.0089 4106 GLY 585 HN 0.0012 0.0104 0.0087 4107 GLY 585 CA 0.0028 0.0119 0.0095 4108 GLY 585 HA2 0.0039 0.0117 0.0091 4109 GLY 585 HA3 0.0031 0.0121 0.0096 4110 GLY 585 C 0.0021 0.0131 0.0106 4111 GLY 585 O 0.0009 0.0136 0.0112 4112 THR 586 N 0.0027 0.0136 0.0109 4113 THR 586 HN 0.0024 0.0146 0.0117 4114 THR 586 CA 0.0036 0.0131 0.0102 4115 THR 586 HA 0.0046 0.0125 0.0096 4116 THR 586 C 0.0023 0.0120 0.0097 4117 THR 586 O 0.0009 0.0116 0.0097 4118 THR 586 CB 0.0044 0.0142 0.0110 4119 THR 586 HB 0.0038 0.0141 0.0110 4120 THR 586 OG1 0.0039 0.0155 0.0121 4121 THR 586 HG1 0.0046 0.0162 0.0125 4122 THR 586 CG2 0.0063 0.0143 0.0107 4123 THR 586 HG21 0.0069 0.0145 0.0107 4124 THR 586 HG22 0.0066 0.0133 0.0098 4125 THR 586 HG23 0.0068 0.0151 0.0112 4126 ASP 587 N 0.0023 0.0108 0.0086 4127 ASP 587 HN 0.0032 0.0111 0.0085 4128 ASP 587 CA 0.0015 0.0099 0.0081 4129 ASP 587 HA 0.0012 0.0093 0.0079 4130 ASP 587 C 0.0005 0.0101 0.0088 4131 ASP 587 O 0.0006 0.0109 0.0094 4132 ASP 587 CB 0.0023 0.0093 0.0074 4133 ASP 587 HB2 0.0029 0.0090 0.0068 4134 ASP 587 HB3 0.0017 0.0087 0.0071 4135 ASP 587 CG 0.0032 0.0101 0.0076 4136 ASP 587 OD1 0.0031 0.0098 0.0074 4137 ASP 587 OD2 0.0039 0.0109 0.0080 4138 ARG 588 N -0.0007 0.0095 0.0088 4139 ARG 588 HN -0.0008 0.0089 0.0083 4140 ARG 588 CA -0.0019 0.0097 0.0095 4141 ARG 588 HA -0.0017 0.0103 0.0099 4142 ARG 588 C -0.0026 0.0087 0.0090 4143 ARG 588 O -0.0026 0.0078 0.0082 4144 ARG 588 CB -0.0027 0.0100 0.0100 4145 ARG 588 HB2 -0.0024 0.0098 0.0097 4146 ARG 588 HB3 -0.0036 0.0096 0.0101 4147 ARG 588 CG -0.0026 0.0112 0.0110 4148 ARG 588 HG2 -0.0029 0.0114 0.0113 4149 ARG 588 HG3 -0.0034 0.0113 0.0114 4150 ARG 588 CD -0.0014 0.0119 0.0111 4151 ARG 588 HD2 -0.0006 0.0117 0.0106 4152 ARG 588 HD3 -0.0014 0.0127 0.0117 4153 ARG 588 NE -0.0011 0.0119 0.0109 4154 ARG 588 HE -0.0004 0.0115 0.0103 4155 ARG 588 CZ -0.0017 0.0123 0.0115 4156 ARG 588 NH1 -0.0027 0.0127 0.0123 4157 ARG 588 HH11 -0.0030 0.0128 0.0125 4158 ARG 588 HH12 -0.0031 0.0131 0.0128 4159 ARG 588 NH2 -0.0014 0.0124 0.0114 4160 ARG 588 HH21 -0.0004 0.0124 0.0110 4161 ARG 588 HH22 -0.0018 0.0127 0.0119 4162 GLU 589 N -0.0051 0.0060 0.0087 4163 GLU 589 HN -0.0050 0.0061 0.0097 4164 GLU 589 CA -0.0064 0.0056 0.0082 4165 GLU 589 HA -0.0064 0.0055 0.0073 4166 GLU 589 C -0.0067 0.0054 0.0080 4167 GLU 589 O -0.0067 0.0055 0.0090 4168 GLU 589 CB -0.0074 0.0054 0.0092 4169 GLU 589 HB2 -0.0073 0.0055 0.0102 4170 GLU 589 HB3 -0.0083 0.0050 0.0089 4171 GLU 589 CG -0.0072 0.0054 0.0094 4172 GLU 589 HG2 -0.0061 0.0057 0.0094 4173 GLU 589 HG3 -0.0076 0.0052 0.0085 4174 GLU 589 CD -0.0078 0.0054 0.0106 4175 GLU 589 OE1 -0.0084 0.0053 0.0114 4176 GLU 589 OE2 -0.0075 0.0055 0.0107 4177 ARG 590 N -0.0069 0.0052 0.0067 4178 ARG 590 HN -0.0069 0.0052 0.0060 4179 ARG 590 CA -0.0073 0.0051 0.0064 4180 ARG 590 HA -0.0077 0.0051 0.0072 4181 ARG 590 C -0.0082 0.0047 0.0052 4182 ARG 590 O -0.0082 0.0046 0.0044 4183 ARG 590 CB -0.0061 0.0054 0.0058 4184 ARG 590 HB2 -0.0055 0.0055 0.0051 4185 ARG 590 HB3 -0.0064 0.0053 0.0052 4186 ARG 590 CG -0.0052 0.0058 0.0069 4187 ARG 590 HG2 -0.0043 0.0060 0.0064 4188 ARG 590 HG3 -0.0048 0.0059 0.0075 4189 ARG 590 CD -0.0058 0.0057 0.0078 4190 ARG 590 HD2 -0.0067 0.0055 0.0083 4191 ARG 590 HD3 -0.0061 0.0055 0.0072 4192 ARG 590 NE -0.0049 0.0060 0.0088 4193 ARG 590 HE -0.0046 0.0061 0.0087 4194 ARG 590 CZ -0.0048 0.0062 0.0100 4195 ARG 590 NH1 -0.0052 0.0061 0.0103 4196 ARG 590 HH11 -0.0057 0.0059 0.0096 4197 ARG 590 HH12 -0.0053 0.0062 0.0112 4198 ARG 590 NH2 -0.0041 0.0065 0.0110 4199 ARG 590 HH21 -0.0038 0.0066 0.0108 4200 ARG 590 HH22 -0.0040 0.0066 0.0119 4201 CYS 591 N -0.0092 0.0046 0.0050 4202 CYS 591 HN -0.0090 0.0046 0.0055 4203 CYS 591 CA -0.0098 0.0047 0.0041 4204 CYS 591 HA -0.0099 0.0048 0.0036 4205 CYS 591 C -0.0091 0.0050 0.0035 4206 CYS 591 O -0.0085 0.0050 0.0039 4207 CYS 591 CB -0.0108 0.0046 0.0043 4208 CYS 591 HB2 -0.0113 0.0044 0.0048 4209 CYS 591 HB3 -0.0113 0.0046 0.0036 4210 CYS 591 SG -0.0108 0.0044 0.0049 4211 CYS 591 HG -0.0102 0.0044 0.0057 4212 ILE 592 N -0.0093 0.0052 0.0024 4213 ILE 592 HN -0.0098 0.0051 0.0022 4214 ILE 592 CA -0.0087 0.0054 0.0017 4215 ILE 592 HA -0.0082 0.0054 0.0021 4216 ILE 592 C -0.0096 0.0054 0.0011 4217 ILE 592 O -0.0104 0.0053 0.0008 4218 ILE 592 CB -0.0081 0.0056 0.0010 4219 ILE 592 HB -0.0087 0.0056 0.0004 4220 ILE 592 CG1 -0.0075 0.0056 0.0015 4221 ILE 592 HG12 -0.0080 0.0054 0.0019 4222 ILE 592 HG13 -0.0071 0.0058 0.0009 4223 ILE 592 CG2 -0.0074 0.0058 0.0003 4224 ILE 592 HG21 -0.0069 0.0058 0.0008 4225 ILE 592 HG22 -0.0079 0.0059 -0.0002 4226 ILE 592 HG23 -0.0070 0.0060 -0.0002 4227 ILE 592 CD1 -0.0066 0.0055 0.0022 4228 ILE 592 HD11 -0.0069 0.0054 0.0029 4229 ILE 592 HD12 -0.0061 0.0057 0.0018 4230 ILE 592 HD13 -0.0062 0.0055 0.0025 4231 PHE 593 N -0.0086 0.0056 0.0008 4232 PHE 593 HN -0.0082 0.0056 0.0010 4233 PHE 593 CA -0.0091 0.0056 0.0003 4234 PHE 593 HA -0.0094 0.0056 0.0001 4235 PHE 593 C -0.0086 0.0056 -0.0002 4236 PHE 593 O -0.0081 0.0057 -0.0001 4237 PHE 593 CB -0.0095 0.0055 0.0006 4238 PHE 593 HB2 -0.0091 0.0056 0.0007 4239 PHE 593 HB3 -0.0097 0.0056 0.0002 4240 PHE 593 CG -0.0099 0.0055 0.0012 4241 PHE 593 CD1 -0.0097 0.0055 0.0018 4242 PHE 593 HD1 -0.0092 0.0055 0.0019 4243 PHE 593 CD2 -0.0106 0.0055 0.0010 4244 PHE 593 HD2 -0.0108 0.0055 0.0005 4245 PHE 593 CE1 -0.0101 0.0054 0.0024 4246 PHE 593 HE1 -0.0099 0.0054 0.0029 4247 PHE 593 CE2 -0.0110 0.0054 0.0016 4248 PHE 593 HE2 -0.0116 0.0054 0.0015 4249 PHE 593 CZ -0.0108 0.0054 0.0022 4250 PHE 593 HZ -0.0111 0.0053 0.0026 4251 MET 594 N -0.0088 0.0057 -0.0009 4252 MET 594 HN -0.0093 0.0056 -0.0010 4253 MET 594 CA -0.0084 0.0057 -0.0015 4254 MET 594 HA -0.0079 0.0057 -0.0014 4255 MET 594 C -0.0088 0.0057 -0.0018 4256 MET 594 O -0.0094 0.0057 -0.0021 4257 MET 594 CB -0.0084 0.0058 -0.0020 4258 MET 594 HB2 -0.0082 0.0058 -0.0024 4259 MET 594 HB3 -0.0089 0.0057 -0.0020 4260 MET 594 CG -0.0079 0.0058 -0.0016 4261 MET 594 HG2 -0.0080 0.0057 -0.0011 4262 MET 594 HG3 -0.0074 0.0058 -0.0018 4263 MET 594 SD -0.0082 0.0058 -0.0019 4264 MET 594 CE -0.0081 0.0058 -0.0028 4265 MET 594 HE1 -0.0080 0.0058 -0.0030 4266 MET 594 HE2 -0.0076 0.0058 -0.0029 4267 MET 594 HE3 -0.0085 0.0058 -0.0030 4268 LEU 595 N -0.0077 0.0057 -0.0011 4269 LEU 595 HN -0.0073 0.0056 -0.0010 4270 LEU 595 CA -0.0080 0.0057 -0.0015 4271 LEU 595 HA -0.0085 0.0058 -0.0016 4272 LEU 595 C -0.0077 0.0056 -0.0020 4273 LEU 595 O -0.0072 0.0055 -0.0021 4274 LEU 595 CB -0.0081 0.0057 -0.0012 4275 LEU 595 HB2 -0.0077 0.0056 -0.0013 4276 LEU 595 HB3 -0.0084 0.0058 -0.0014 4277 LEU 595 CG -0.0081 0.0058 -0.0005 4278 LEU 595 HG -0.0078 0.0057 -0.0003 4279 LEU 595 CD1 -0.0081 0.0058 -0.0003 4280 LEU 595 HD11 -0.0084 0.0058 -0.0005 4281 LEU 595 HD12 -0.0077 0.0057 -0.0004 4282 LEU 595 HD13 -0.0081 0.0058 0.0002 4283 LEU 595 CD2 -0.0087 0.0059 -0.0003 4284 LEU 595 HD21 -0.0090 0.0059 -0.0005 4285 LEU 595 HD22 -0.0087 0.0059 0.0001 4286 LEU 595 HD23 -0.0087 0.0059 -0.0004 4287 SER 596 N -0.0080 0.0057 -0.0025 4288 SER 596 HN -0.0084 0.0057 -0.0025 4289 SER 596 CA -0.0077 0.0056 -0.0030 4290 SER 596 HA -0.0075 0.0055 -0.0031 4291 SER 596 C -0.0071 0.0055 -0.0030 4292 SER 596 O -0.0068 0.0054 -0.0034 4293 SER 596 CB -0.0080 0.0056 -0.0035 4294 SER 596 HB2 -0.0081 0.0056 -0.0036 4295 SER 596 HB3 -0.0085 0.0057 -0.0035 4296 SER 596 OG -0.0078 0.0055 -0.0041 4297 SER 596 HG -0.0074 0.0055 -0.0041 4298 ASP 597 N -0.0066 0.0052 -0.0029 4299 ASP 597 HN -0.0069 0.0052 -0.0027 4300 ASP 597 CA -0.0062 0.0052 -0.0029 4301 ASP 597 HA -0.0060 0.0051 -0.0033 4302 ASP 597 C -0.0058 0.0052 -0.0025 4303 ASP 597 O -0.0053 0.0052 -0.0025 4304 ASP 597 CB -0.0063 0.0052 -0.0027 4305 ASP 597 HB2 -0.0065 0.0052 -0.0023 4306 ASP 597 HB3 -0.0066 0.0052 -0.0030 4307 ASP 597 CG -0.0059 0.0052 -0.0027 4308 ASP 597 OD1 -0.0059 0.0052 -0.0024 4309 ASP 597 OD2 -0.0055 0.0051 -0.0031 4310 LEU 598 N -0.0060 0.0052 -0.0021 4311 LEU 598 HN -0.0064 0.0052 -0.0021 4312 LEU 598 CA -0.0057 0.0052 -0.0016 4313 LEU 598 HA -0.0053 0.0052 -0.0017 4314 LEU 598 C -0.0059 0.0052 -0.0013 4315 LEU 598 O -0.0063 0.0052 -0.0014 4316 LEU 598 CB -0.0057 0.0052 -0.0012 4317 LEU 598 HB2 -0.0055 0.0052 -0.0009 4318 LEU 598 HB3 -0.0054 0.0052 -0.0014 4319 LEU 598 CG -0.0062 0.0052 -0.0011 4320 LEU 598 HG -0.0065 0.0052 -0.0013 4321 LEU 598 CD1 -0.0063 0.0052 -0.0005 4322 LEU 598 HD11 -0.0060 0.0052 -0.0002 4323 LEU 598 HD12 -0.0064 0.0052 -0.0004 4324 LEU 598 HD13 -0.0067 0.0052 -0.0004 4325 LEU 598 CD2 -0.0061 0.0052 -0.0012 4326 LEU 598 HD21 -0.0058 0.0052 -0.0009 4327 LEU 598 HD22 -0.0065 0.0052 -0.0011 4328 LEU 598 HD23 -0.0060 0.0052 -0.0016 4329 LEU 599 N -0.0050 0.0058 -0.0008 4330 LEU 599 HN -0.0045 0.0058 -0.0008 4331 LEU 599 CA -0.0054 0.0057 -0.0004 4332 LEU 599 HA -0.0059 0.0058 -0.0006 4333 LEU 599 C -0.0054 0.0055 0.0004 4334 LEU 599 O -0.0048 0.0054 0.0007 4335 LEU 599 CB -0.0049 0.0057 -0.0005 4336 LEU 599 HB2 -0.0047 0.0059 -0.0010 4337 LEU 599 HB3 -0.0044 0.0056 -0.0001 4338 LEU 599 CG -0.0053 0.0056 -0.0002 4339 LEU 599 HG -0.0057 0.0055 0.0003 4340 LEU 599 CD1 -0.0058 0.0058 -0.0008 4341 LEU 599 HD11 -0.0055 0.0060 -0.0013 4342 LEU 599 HD12 -0.0062 0.0059 -0.0009 4343 LEU 599 HD13 -0.0061 0.0058 -0.0006 4344 LEU 599 CD2 -0.0047 0.0056 0.0000 4345 LEU 599 HD21 -0.0043 0.0057 -0.0004 4346 LEU 599 HD22 -0.0050 0.0055 0.0002 4347 LEU 599 HD23 -0.0044 0.0054 0.0005 4348 LEU 600 N -0.0061 0.0054 0.0007 4349 LEU 600 HN -0.0065 0.0054 0.0004 4350 LEU 600 CA -0.0062 0.0051 0.0014 4351 LEU 600 HA -0.0057 0.0051 0.0017 4352 LEU 600 C -0.0063 0.0050 0.0018 4353 LEU 600 O -0.0068 0.0051 0.0016 4354 LEU 600 CB -0.0069 0.0051 0.0016 4355 LEU 600 HB2 -0.0073 0.0052 0.0013 4356 LEU 600 HB3 -0.0070 0.0049 0.0021 4357 LEU 600 CG -0.0068 0.0052 0.0013 4358 LEU 600 HG -0.0068 0.0054 0.0007 4359 LEU 600 CD1 -0.0075 0.0051 0.0014 4360 LEU 600 HD11 -0.0076 0.0050 0.0020 4361 LEU 600 HD12 -0.0080 0.0052 0.0012 4362 LEU 600 HD13 -0.0075 0.0052 0.0012 4363 LEU 600 CD2 -0.0061 0.0051 0.0015 4364 LEU 600 HD21 -0.0061 0.0049 0.0021 4365 LEU 600 HD22 -0.0062 0.0051 0.0014 4366 LEU 600 HD23 -0.0056 0.0052 0.0013 4367 VAL 601 N -0.0056 0.0057 0.0036 4368 VAL 601 HN -0.0049 0.0056 0.0040 4369 VAL 601 CA -0.0058 0.0054 0.0039 4370 VAL 601 HA -0.0065 0.0055 0.0035 4371 VAL 601 C -0.0060 0.0047 0.0050 4372 VAL 601 O -0.0053 0.0045 0.0057 4373 VAL 601 CB -0.0047 0.0057 0.0039 4374 VAL 601 HB -0.0040 0.0056 0.0044 4375 VAL 601 CG1 -0.0044 0.0064 0.0029 4376 VAL 601 HG11 -0.0050 0.0065 0.0023 4377 VAL 601 HG12 -0.0036 0.0066 0.0029 4378 VAL 601 HG13 -0.0041 0.0066 0.0026 4379 VAL 601 CG2 -0.0049 0.0054 0.0043 4380 VAL 601 HG21 -0.0056 0.0055 0.0039 4381 VAL 601 HG22 -0.0050 0.0049 0.0051 4382 VAL 601 HG23 -0.0042 0.0057 0.0043 4383 THR 602 N -0.0071 0.0044 0.0051 4384 THR 602 HN -0.0077 0.0045 0.0046 4385 THR 602 CA -0.0075 0.0037 0.0060 4386 THR 602 HA -0.0068 0.0036 0.0065 4387 THR 602 C -0.0081 0.0033 0.0066 4388 THR 602 O -0.0087 0.0033 0.0061 4389 THR 602 CB -0.0082 0.0037 0.0058 4390 THR 602 HB -0.0091 0.0036 0.0055 4391 THR 602 OG1 -0.0079 0.0042 0.0050 4392 THR 602 HG1 -0.0075 0.0046 0.0046 4393 THR 602 CG2 -0.0083 0.0032 0.0067 4394 THR 602 HG21 -0.0075 0.0032 0.0069 4395 THR 602 HG22 -0.0086 0.0027 0.0073 4396 THR 602 HG23 -0.0088 0.0031 0.0065 4397 SER 603 N -0.0068 0.0029 0.0091 4398 SER 603 HN -0.0053 0.0028 0.0105 4399 SER 603 CA -0.0080 0.0014 0.0102 4400 SER 603 HA -0.0090 0.0020 0.0086 4401 SER 603 C -0.0103 -0.0007 0.0114 4402 SER 603 O -0.0099 -0.0016 0.0129 4403 SER 603 CB -0.0058 0.0011 0.0125 4404 SER 603 HB2 -0.0055 -0.0001 0.0144 4405 SER 603 HB3 -0.0037 0.0025 0.0121 4406 SER 603 OG -0.0065 0.0005 0.0127 4407 SER 603 HG -0.0084 -0.0008 0.0131 4408 VAL 604 N -0.0128 -0.0016 0.0107 4409 VAL 604 HN -0.0129 -0.0010 0.0097 4410 VAL 604 CA -0.0154 -0.0036 0.0113 4411 VAL 604 HA -0.0153 -0.0037 0.0116 4412 VAL 604 C -0.0153 -0.0054 0.0140 4413 VAL 604 O -0.0145 -0.0054 0.0145 4414 VAL 604 CB -0.0181 -0.0036 0.0091 4415 VAL 604 HB -0.0184 -0.0038 0.0093 4416 VAL 604 CG1 -0.0180 -0.0015 0.0063 4417 VAL 604 HG11 -0.0177 -0.0011 0.0060 4418 VAL 604 HG12 -0.0200 -0.0016 0.0048 4419 VAL 604 HG13 -0.0162 -0.0001 0.0058 4420 VAL 604 CG2 -0.0208 -0.0054 0.0095 4421 VAL 604 HG21 -0.0206 -0.0053 0.0095 4422 VAL 604 HG22 -0.0211 -0.0069 0.0114 4423 VAL 604 HG23 -0.0227 -0.0054 0.0080 4424 LYS 605 N -0.0201 -0.0058 0.0152 4425 LYS 605 HN -0.0184 -0.0038 0.0152 4426 LYS 605 CA -0.0203 -0.0152 0.0186 4427 LYS 605 HA -0.0246 -0.0169 0.0176 4428 LYS 605 C -0.0242 -0.0200 0.0189 4429 LYS 605 O -0.0235 -0.0167 0.0180 4430 LYS 605 CB -0.0113 -0.0177 0.0230 4431 LYS 605 HB2 -0.0072 -0.0160 0.0239 4432 LYS 605 HB3 -0.0116 -0.0247 0.0254 4433 LYS 605 CG -0.0065 -0.0133 0.0232 4434 LYS 605 HG2 -0.0055 -0.0063 0.0210 4435 LYS 605 HG3 -0.0001 -0.0154 0.0264 4436 LYS 605 CD -0.0108 -0.0152 0.0222 4437 LYS 605 HD2 -0.0065 -0.0119 0.0227 4438 LYS 605 HD3 -0.0168 -0.0124 0.0189 4439 LYS 605 CE -0.0126 -0.0248 0.0251 4440 LYS 605 HE2 -0.0176 -0.0282 0.0245 4441 LYS 605 HE3 -0.0068 -0.0280 0.0285 4442 LYS 605 NZ -0.0160 -0.0258 0.0242 4443 LYS 605 HZ1 -0.0215 -0.0228 0.0210 4444 LYS 605 HZ2 -0.0177 -0.0323 0.0259 4445 LYS 605 HZ3 -0.0115 -0.0233 0.0250 4446 LYS 606 N -0.0282 -0.0284 0.0205 4447 LYS 606 HN -0.0273 -0.0312 0.0219 4448 LYS 606 CA -0.0341 -0.0333 0.0201 4449 LYS 606 HA -0.0391 -0.0291 0.0166 4450 LYS 606 C -0.0306 -0.0352 0.0221 4451 LYS 606 O -0.0229 -0.0358 0.0252 4452 LYS 606 CB -0.0384 -0.0419 0.0216 4453 LYS 606 HB2 -0.0336 -0.0449 0.0245 4454 LYS 606 HB3 -0.0405 -0.0466 0.0225 4455 LYS 606 CG -0.0462 -0.0406 0.0182 4456 LYS 606 HG2 -0.0506 -0.0370 0.0152 4457 LYS 606 HG3 -0.0441 -0.0367 0.0175 4458 LYS 606 CD -0.0511 -0.0493 0.0195 4459 LYS 606 HD2 -0.0528 -0.0534 0.0204 4460 LYS 606 HD3 -0.0469 -0.0528 0.0224 4461 LYS 606 CE -0.0593 -0.0481 0.0159 4462 LYS 606 HE2 -0.0580 -0.0447 0.0152 4463 LYS 606 HE3 -0.0637 -0.0447 0.0130 4464 LYS 606 NZ -0.0641 -0.0567 0.0173 4465 LYS 606 HZ1 -0.0605 -0.0603 0.0200 4466 LYS 606 HZ2 -0.0697 -0.0561 0.0149 4467 LYS 606 HZ3 -0.0657 -0.0603 0.0180 4468 LYS 607 N -0.0318 -0.0341 0.0188 4469 LYS 607 HN -0.0357 -0.0360 0.0178 4470 LYS 607 CA -0.0316 -0.0319 0.0180 4471 LYS 607 HA -0.0358 -0.0334 0.0167 4472 LYS 607 C -0.0312 -0.0254 0.0155 4473 LYS 607 O -0.0297 -0.0230 0.0152 4474 LYS 607 CB -0.0271 -0.0337 0.0208 4475 LYS 607 HB2 -0.0231 -0.0340 0.0227 4476 LYS 607 HB3 -0.0259 -0.0303 0.0200 4477 LYS 607 CG -0.0290 -0.0394 0.0223 4478 LYS 607 HG2 -0.0331 -0.0393 0.0204 4479 LYS 607 HG3 -0.0295 -0.0430 0.0235 4480 LYS 607 CD -0.0248 -0.0405 0.0247 4481 LYS 607 HD2 -0.0244 -0.0369 0.0234 4482 LYS 607 HD3 -0.0205 -0.0404 0.0266 4483 LYS 607 CE -0.0264 -0.0461 0.0263 4484 LYS 607 HE2 -0.0307 -0.0465 0.0245 4485 LYS 607 HE3 -0.0234 -0.0463 0.0277 4486 LYS 607 NZ -0.0261 -0.0511 0.0285 4487 LYS 607 HZ1 -0.0292 -0.0516 0.0272 4488 LYS 607 HZ2 -0.0266 -0.0549 0.0298 4489 LYS 607 HZ3 -0.0223 -0.0508 0.0301 4490 PRO 608 N -0.0324 -0.0219 0.0135 4491 PRO 608 CA -0.0308 -0.0157 0.0117 4492 PRO 608 HA -0.0316 -0.0143 0.0107 4493 PRO 608 C -0.0244 -0.0143 0.0140 4494 PRO 608 O -0.0224 -0.0141 0.0149 4495 PRO 608 CB -0.0345 -0.0131 0.0089 4496 PRO 608 HB2 -0.0325 -0.0090 0.0081 4497 PRO 608 HB3 -0.0385 -0.0125 0.0069 4498 PRO 608 CG -0.0358 -0.0177 0.0102 4499 PRO 608 HG2 -0.0399 -0.0176 0.0083 4500 PRO 608 HG3 -0.0326 -0.0169 0.0114 4501 PRO 608 CD -0.0355 -0.0234 0.0128 4502 PRO 608 HD2 -0.0397 -0.0257 0.0118 4503 PRO 608 HD3 -0.0332 -0.0262 0.0149 4504 LYS 609 N -0.0217 -0.0129 0.0135 4505 LYS 609 HN -0.0225 -0.0140 0.0140 4506 LYS 609 CA -0.0168 -0.0115 0.0142 4507 LYS 609 HA -0.0166 -0.0092 0.0126 4508 LYS 609 C -0.0142 -0.0096 0.0137 4509 LYS 609 O -0.0155 -0.0106 0.0140 4510 LYS 609 CB -0.0144 -0.0148 0.0172 4511 LYS 609 HB2 -0.0107 -0.0136 0.0176 4512 LYS 609 HB3 -0.0158 -0.0156 0.0173 4513 LYS 609 CG -0.0149 -0.0186 0.0197 4514 LYS 609 HG2 -0.0185 -0.0201 0.0195 4515 LYS 609 HG3 -0.0141 -0.0178 0.0194 4516 LYS 609 CD -0.0118 -0.0214 0.0226 4517 LYS 609 HD2 -0.0123 -0.0219 0.0228 4518 LYS 609 HD3 -0.0082 -0.0200 0.0228 4519 LYS 609 CE -0.0128 -0.0253 0.0250 4520 LYS 609 HE2 -0.0128 -0.0250 0.0248 4521 LYS 609 HE3 -0.0160 -0.0271 0.0252 4522 LYS 609 NZ -0.0092 -0.0277 0.0279 4523 LYS 609 HZ1 -0.0060 -0.0262 0.0279 4524 LYS 609 HZ2 -0.0098 -0.0304 0.0295 4525 LYS 609 HZ3 -0.0089 -0.0281 0.0283 4526 VAL 610 N -0.0106 -0.0065 0.0128 4527 VAL 610 HN -0.0092 -0.0062 0.0130 4528 VAL 610 CA -0.0088 -0.0035 0.0113 4529 VAL 610 HA -0.0100 -0.0048 0.0118 4530 VAL 610 C -0.0035 -0.0026 0.0124 4531 VAL 610 O -0.0012 -0.0016 0.0125 4532 VAL 610 CB -0.0108 0.0003 0.0080 4533 VAL 610 HB -0.0080 0.0028 0.0072 4534 VAL 610 CG1 -0.0141 0.0004 0.0068 4535 VAL 610 HG11 -0.0172 -0.0018 0.0073 4536 VAL 610 HG12 -0.0151 0.0033 0.0045 4537 VAL 610 HG13 -0.0125 -0.0003 0.0078 4538 VAL 610 CG2 -0.0135 0.0013 0.0064 4539 VAL 610 HG21 -0.0163 -0.0012 0.0072 4540 VAL 610 HG22 -0.0113 0.0018 0.0068 4541 VAL 610 HG23 -0.0151 0.0038 0.0041 4542 LEU 611 N -0.0086 -0.0033 0.0119 4543 LEU 611 HN -0.0095 -0.0036 0.0118 4544 LEU 611 CA -0.0059 -0.0032 0.0126 4545 LEU 611 HA -0.0052 -0.0030 0.0126 4546 LEU 611 C -0.0044 -0.0016 0.0114 4547 LEU 611 O -0.0053 -0.0010 0.0104 4548 LEU 611 CB -0.0053 -0.0049 0.0147 4549 LEU 611 HB2 -0.0063 -0.0053 0.0148 4550 LEU 611 HB3 -0.0033 -0.0046 0.0150 4551 LEU 611 CG -0.0057 -0.0065 0.0163 4552 LEU 611 HG -0.0049 -0.0061 0.0161 4553 LEU 611 CD1 -0.0085 -0.0073 0.0162 4554 LEU 611 HD11 -0.0096 -0.0076 0.0162 4555 LEU 611 HD12 -0.0093 -0.0065 0.0150 4556 LEU 611 HD13 -0.0088 -0.0086 0.0175 4557 LEU 611 CD2 -0.0045 -0.0080 0.0182 4558 LEU 611 HD21 -0.0053 -0.0085 0.0185 4559 LEU 611 HD22 -0.0048 -0.0091 0.0194 4560 LEU 611 HD23 -0.0025 -0.0075 0.0183 4561 TYR 612 N -0.0019 -0.0009 0.0115 4562 TYR 612 HN -0.0010 -0.0017 0.0127 4563 TYR 612 CA -0.0007 0.0010 0.0098 4564 TYR 612 HA -0.0023 0.0016 0.0086 4565 TYR 612 C 0.0012 0.0019 0.0095 4566 TYR 612 O 0.0026 0.0011 0.0108 4567 TYR 612 CB 0.0005 0.0016 0.0096 4568 TYR 612 HB2 0.0011 0.0005 0.0109 4569 TYR 612 HB3 0.0022 0.0027 0.0090 4570 TYR 612 CG -0.0014 0.0022 0.0082 4571 TYR 612 CD1 -0.0015 0.0040 0.0063 4572 TYR 612 HD1 -0.0001 0.0050 0.0057 4573 TYR 612 CD2 -0.0032 0.0010 0.0090 4574 TYR 612 HD2 -0.0031 -0.0004 0.0105 4575 TYR 612 CE1 -0.0037 0.0045 0.0051 4576 TYR 612 HE1 -0.0039 0.0058 0.0035 4577 TYR 612 CE2 -0.0054 0.0015 0.0077 4578 TYR 612 HE2 -0.0069 0.0005 0.0083 4579 TYR 612 CZ -0.0056 0.0032 0.0058 4580 TYR 612 OH -0.0078 0.0036 0.0046 4581 TYR 612 HH -0.0081 0.0044 0.0036 4582 SER 613 N -0.0044 0.0044 0.0069 4583 SER 613 HN -0.0050 0.0043 0.0064 4584 SER 613 CA -0.0034 0.0047 0.0064 4585 SER 613 HA -0.0030 0.0047 0.0068 4586 SER 613 C -0.0036 0.0048 0.0052 4587 SER 613 O -0.0045 0.0046 0.0048 4588 SER 613 CB -0.0026 0.0048 0.0066 4589 SER 613 HB2 -0.0025 0.0047 0.0075 4590 SER 613 HB3 -0.0019 0.0050 0.0063 4591 SER 613 OG -0.0031 0.0048 0.0062 4592 SER 613 HG -0.0039 0.0046 0.0062 4593 LYS 614 N -0.0027 0.0050 0.0046 4594 LYS 614 HN -0.0020 0.0051 0.0050 4595 LYS 614 CA -0.0029 0.0051 0.0035 4596 LYS 614 HA -0.0034 0.0050 0.0031 4597 LYS 614 C -0.0019 0.0054 0.0028 4598 LYS 614 O -0.0010 0.0055 0.0032 4599 LYS 614 CB -0.0036 0.0050 0.0034 4600 LYS 614 HB2 -0.0037 0.0050 0.0025 4601 LYS 614 HB3 -0.0043 0.0048 0.0037 4602 LYS 614 CG -0.0030 0.0050 0.0039 4603 LYS 614 HG2 -0.0031 0.0049 0.0048 4604 LYS 614 HG3 -0.0022 0.0052 0.0037 4605 LYS 614 CD -0.0035 0.0050 0.0035 4606 LYS 614 HD2 -0.0035 0.0051 0.0026 4607 LYS 614 HD3 -0.0030 0.0050 0.0038 4608 LYS 614 CE -0.0047 0.0047 0.0039 4609 LYS 614 HE2 -0.0051 0.0046 0.0040 4610 LYS 614 HE3 -0.0051 0.0046 0.0033 4611 LYS 614 NZ -0.0047 0.0045 0.0049 4612 LYS 614 HZ1 -0.0042 0.0046 0.0055 4613 LYS 614 HZ2 -0.0055 0.0043 0.0052 4614 LYS 614 HZ3 -0.0045 0.0046 0.0048 4615 MET 615 N -0.0048 0.0040 -0.0023 4616 MET 615 HN -0.0048 0.0040 -0.0023 4617 MET 615 CA -0.0047 0.0035 -0.0023 4618 MET 615 HA -0.0049 0.0035 -0.0024 4619 MET 615 C -0.0049 0.0032 -0.0025 4620 MET 615 O -0.0049 0.0033 -0.0025 4621 MET 615 CB -0.0043 0.0034 -0.0021 4622 MET 615 HB2 -0.0042 0.0033 -0.0021 4623 MET 615 HB3 -0.0042 0.0037 -0.0020 4624 MET 615 CG -0.0042 0.0030 -0.0021 4625 MET 615 HG2 -0.0043 0.0031 -0.0021 4626 MET 615 HG3 -0.0044 0.0028 -0.0023 4627 MET 615 SD -0.0038 0.0028 -0.0019 4628 MET 615 CE -0.0038 0.0024 -0.0020 4629 MET 615 HE1 -0.0035 0.0023 -0.0018 4630 MET 615 HE2 -0.0040 0.0022 -0.0021 4631 MET 615 HE3 -0.0039 0.0026 -0.0020 4632 SER 616 N -0.0051 0.0029 -0.0027 4633 SER 616 HN -0.0051 0.0029 -0.0027 4634 SER 616 CA -0.0052 0.0026 -0.0028 4635 SER 616 HA -0.0054 0.0028 -0.0029 4636 SER 616 C -0.0049 0.0023 -0.0027 4637 SER 616 O -0.0047 0.0022 -0.0025 4638 SER 616 CB -0.0055 0.0024 -0.0030 4639 SER 616 HB2 -0.0056 0.0021 -0.0031 4640 SER 616 HB3 -0.0054 0.0022 -0.0030 4641 SER 616 OG -0.0058 0.0026 -0.0032 4642 SER 616 HG -0.0059 0.0027 -0.0032 4643 SER 617 N -0.0062 0.0025 -0.0046 4644 SER 617 HN -0.0066 0.0029 -0.0052 4645 SER 617 CA -0.0053 0.0019 -0.0032 4646 SER 617 HA -0.0046 0.0025 -0.0028 4647 SER 617 C -0.0057 0.0002 -0.0026 4648 SER 617 O -0.0055 -0.0007 -0.0019 4649 SER 617 CB -0.0047 0.0023 -0.0028 4650 SER 617 HB2 -0.0042 0.0035 -0.0030 4651 SER 617 HB3 -0.0041 0.0017 -0.0018 4652 SER 617 OG -0.0056 0.0019 -0.0036 4653 SER 617 HG -0.0058 0.0029 -0.0043 4654 GLN 618 N -0.0059 -0.0001 -0.0027 4655 GLN 618 HN -0.0062 0.0006 -0.0034 4656 GLN 618 CA -0.0057 -0.0013 -0.0017 4657 GLN 618 HA -0.0058 -0.0022 -0.0012 4658 GLN 618 C -0.0044 -0.0005 -0.0007 4659 GLN 618 O -0.0038 0.0008 -0.0009 4660 GLN 618 CB -0.0065 -0.0020 -0.0022 4661 GLN 618 HB2 -0.0065 -0.0010 -0.0027 4662 GLN 618 HB3 -0.0062 -0.0027 -0.0014 4663 GLN 618 CG -0.0079 -0.0028 -0.0032 4664 GLN 618 HG2 -0.0084 -0.0029 -0.0037 4665 GLN 618 HG3 -0.0081 -0.0021 -0.0039 4666 GLN 618 CD -0.0082 -0.0044 -0.0026 4667 GLN 618 OE1 -0.0075 -0.0050 -0.0014 4668 GLN 618 NE2 -0.0094 -0.0051 -0.0034 4669 GLN 618 HE21 -0.0097 -0.0062 -0.0031 4670 GLN 618 HE22 -0.0100 -0.0047 -0.0044 4671 SER 619 N -0.0049 -0.0033 -0.0046 4672 SER 619 HN -0.0049 -0.0048 -0.0047 4673 SER 619 CA -0.0038 -0.0025 -0.0030 4674 SER 619 HA -0.0037 -0.0014 -0.0027 4675 SER 619 C -0.0029 -0.0041 -0.0017 4676 SER 619 O -0.0031 -0.0058 -0.0021 4677 SER 619 CB -0.0038 -0.0015 -0.0028 4678 SER 619 HB2 -0.0029 -0.0013 -0.0016 4679 SER 619 HB3 -0.0042 -0.0024 -0.0035 4680 SER 619 OG -0.0043 0.0004 -0.0035 4681 SER 619 HG -0.0050 0.0004 -0.0045 4682 MET 620 N -0.0018 -0.0034 -0.0001 4683 MET 620 HN -0.0017 -0.0020 0.0003 4684 MET 620 CA -0.0009 -0.0048 0.0012 4685 MET 620 HA -0.0009 -0.0060 0.0011 4686 MET 620 C 0.0002 -0.0038 0.0029 4687 MET 620 O 0.0002 -0.0021 0.0030 4688 MET 620 CB -0.0010 -0.0056 0.0010 4689 MET 620 HB2 -0.0002 -0.0053 0.0021 4690 MET 620 HB3 -0.0017 -0.0049 0.0000 4691 MET 620 CG -0.0012 -0.0079 0.0006 4692 MET 620 HG2 -0.0014 -0.0083 0.0003 4693 MET 620 HG3 -0.0019 -0.0082 -0.0005 4694 MET 620 SD 0.0000 -0.0094 0.0023 4695 MET 620 CE 0.0007 -0.0099 0.0032 4696 MET 620 HE1 0.0015 -0.0107 0.0044 4697 MET 620 HE2 0.0008 -0.0085 0.0035 4698 MET 620 HE3 0.0002 -0.0108 0.0024 4699 GLY 621 N 0.0011 -0.0069 -0.0013 4700 GLY 621 HN 0.0015 -0.0080 -0.0017 4701 GLY 621 CA 0.0024 -0.0064 -0.0001 4702 GLY 621 HA2 0.0020 -0.0050 0.0004 4703 GLY 621 HA3 0.0026 -0.0072 -0.0004 4704 GLY 621 C 0.0040 -0.0069 0.0007 4705 GLY 621 O 0.0040 -0.0076 0.0004 4706 PHE 622 N 0.0053 -0.0065 0.0019 4707 PHE 622 HN 0.0051 -0.0059 0.0022 4708 PHE 622 CA 0.0069 -0.0069 0.0028 4709 PHE 622 HA 0.0074 -0.0084 0.0023 4710 PHE 622 C 0.0081 -0.0063 0.0040 4711 PHE 622 O 0.0075 -0.0054 0.0042 4712 PHE 622 CB 0.0069 -0.0060 0.0034 4713 PHE 622 HB2 0.0056 -0.0055 0.0027 4714 PHE 622 HB3 0.0073 -0.0048 0.0043 4715 PHE 622 CG 0.0079 -0.0072 0.0034 4716 PHE 622 CD1 0.0075 -0.0087 0.0023 4717 PHE 622 HD1 0.0065 -0.0090 0.0013 4718 PHE 622 CD2 0.0093 -0.0068 0.0046 4719 PHE 622 HD2 0.0097 -0.0056 0.0056 4720 PHE 622 CE1 0.0085 -0.0097 0.0023 4721 PHE 622 HE1 0.0081 -0.0109 0.0014 4722 PHE 622 CE2 0.0102 -0.0078 0.0047 4723 PHE 622 HE2 0.0113 -0.0075 0.0057 4724 PHE 622 CZ 0.0098 -0.0093 0.0036 4725 PHE 622 HZ 0.0105 -0.0101 0.0036 4726 LEU 623 N 0.0109 -0.0076 0.0021 4727 LEU 623 HN 0.0115 -0.0081 0.0019 4728 LEU 623 CA 0.0124 -0.0071 0.0030 4729 LEU 623 HA 0.0115 -0.0060 0.0035 4730 LEU 623 C 0.0139 -0.0063 0.0040 4731 LEU 623 O 0.0143 -0.0067 0.0039 4732 LEU 623 CB 0.0134 -0.0086 0.0023 4733 LEU 623 HB2 0.0132 -0.0098 0.0013 4734 LEU 623 HB3 0.0150 -0.0086 0.0028 4735 LEU 623 CG 0.0125 -0.0084 0.0021 4736 LEU 623 HG 0.0108 -0.0081 0.0017 4737 LEU 623 CD1 0.0132 -0.0101 0.0011 4738 LEU 623 HD11 0.0149 -0.0104 0.0014 4739 LEU 623 HD12 0.0127 -0.0112 0.0001 4740 LEU 623 HD13 0.0126 -0.0100 0.0009 4741 LEU 623 CD2 0.0132 -0.0069 0.0034 4742 LEU 623 HD21 0.0148 -0.0071 0.0038 4743 LEU 623 HD22 0.0126 -0.0068 0.0032 4744 LEU 623 HD23 0.0126 -0.0056 0.0041 4745 GLU 624 N 0.0149 -0.0052 0.0052 4746 GLU 624 HN 0.0147 -0.0051 0.0052 4747 GLU 624 CA 0.0163 -0.0041 0.0064 4748 GLU 624 HA 0.0174 -0.0050 0.0062 4749 GLU 624 C 0.0175 -0.0036 0.0072 4750 GLU 624 O 0.0178 -0.0045 0.0067 4751 GLU 624 CB 0.0150 -0.0026 0.0070 4752 GLU 624 HB2 0.0139 -0.0032 0.0063 4753 GLU 624 HB3 0.0141 -0.0017 0.0074 4754 GLU 624 CG 0.0162 -0.0018 0.0081 4755 GLU 624 HG2 0.0156 -0.0018 0.0078 4756 GLU 624 HG3 0.0178 -0.0024 0.0082 4757 GLU 624 CD 0.0160 0.0001 0.0094 4758 GLU 624 OE1 0.0149 0.0013 0.0098 4759 GLU 624 OE2 0.0169 0.0003 0.0099 4760 GLY 625 N 0.0193 -0.0025 0.0086 4761 GLY 625 HN 0.0188 -0.0015 0.0093 4762 GLY 625 CA 0.0207 -0.0020 0.0097 4763 GLY 625 HA2 0.0217 -0.0032 0.0090 4764 GLY 625 HA3 0.0218 -0.0012 0.0108 4765 GLY 625 C 0.0192 -0.0007 0.0102 4766 GLY 625 O 0.0198 -0.0008 0.0103 4767 ASN 626 N 0.0174 0.0006 0.0106 4768 ASN 626 HN 0.0172 0.0007 0.0106 4769 ASN 626 CA 0.0157 0.0018 0.0110 4770 ASN 626 HA 0.0167 0.0022 0.0117 4771 ASN 626 C 0.0142 0.0006 0.0093 4772 ASN 626 O 0.0131 -0.0001 0.0081 4773 ASN 626 CB 0.0144 0.0036 0.0120 4774 ASN 626 HB2 0.0137 0.0033 0.0114 4775 ASN 626 HB3 0.0156 0.0045 0.0133 4776 ASN 626 CG 0.0125 0.0048 0.0123 4777 ASN 626 OD1 0.0119 0.0042 0.0115 4778 ASN 626 ND2 0.0115 0.0065 0.0133 4779 ASN 626 HD21 0.0102 0.0073 0.0135 4780 ASN 626 HD22 0.0120 0.0070 0.0140 4781 ARG 627 N 0.0142 0.0005 0.0088 4782 ARG 627 HN 0.0148 0.0015 0.0100 4783 ARG 627 CA 0.0130 -0.0009 0.0068 4784 ARG 627 HA 0.0138 -0.0024 0.0058 4785 ARG 627 C 0.0101 -0.0002 0.0060 4786 ARG 627 O 0.0089 -0.0015 0.0042 4787 ARG 627 CB 0.0132 -0.0011 0.0067 4788 ARG 627 HB2 0.0120 0.0003 0.0076 4789 ARG 627 HB3 0.0124 -0.0022 0.0052 4790 ARG 627 CG 0.0159 -0.0016 0.0076 4791 ARG 627 HG2 0.0158 -0.0020 0.0071 4792 ARG 627 HG3 0.0165 -0.0002 0.0092 4793 ARG 627 CD 0.0179 -0.0034 0.0068 4794 ARG 627 HD2 0.0171 -0.0041 0.0057 4795 ARG 627 HD3 0.0189 -0.0045 0.0061 4796 ARG 627 NE 0.0198 -0.0026 0.0085 4797 ARG 627 HE 0.0198 -0.0023 0.0088 4798 ARG 627 CZ 0.0218 -0.0022 0.0099 4799 ARG 627 NH1 0.0224 -0.0026 0.0097 4800 ARG 627 HH11 0.0213 -0.0033 0.0086 4801 ARG 627 HH12 0.0238 -0.0023 0.0108 4802 ARG 627 NH2 0.0233 -0.0014 0.0115 4803 ARG 627 HH21 0.0228 -0.0011 0.0115 4804 ARG 627 HH22 0.0248 -0.0010 0.0126 4805 PHE 628 N 0.0090 0.0018 0.0075 4806 PHE 628 HN 0.0101 0.0027 0.0090 4807 PHE 628 CA 0.0062 0.0027 0.0070 4808 PHE 628 HA 0.0053 0.0019 0.0058 4809 PHE 628 C 0.0051 0.0026 0.0063 4810 PHE 628 O 0.0028 0.0034 0.0060 4811 PHE 628 CB 0.0054 0.0050 0.0089 4812 PHE 628 HB2 0.0062 0.0058 0.0101 4813 PHE 628 HB3 0.0033 0.0056 0.0085 4814 PHE 628 CG 0.0060 0.0054 0.0096 4815 PHE 628 CD1 0.0046 0.0050 0.0085 4816 PHE 628 HD1 0.0030 0.0044 0.0071 4817 PHE 628 CD2 0.0080 0.0061 0.0114 4818 PHE 628 HD2 0.0092 0.0065 0.0122 4819 PHE 628 CE1 0.0052 0.0054 0.0092 4820 PHE 628 HE1 0.0040 0.0051 0.0083 4821 PHE 628 CE2 0.0086 0.0065 0.0120 4822 PHE 628 HE2 0.0102 0.0071 0.0134 4823 PHE 628 CZ 0.0072 0.0061 0.0109 4824 PHE 628 HZ 0.0076 0.0065 0.0115 4825 LYS 629 N 0.0065 0.0021 0.0064 4826 LYS 629 HN 0.0077 0.0017 0.0066 4827 LYS 629 CA 0.0060 0.0020 0.0061 4828 LYS 629 HA 0.0049 0.0028 0.0063 4829 LYS 629 C 0.0055 0.0007 0.0046 4830 LYS 629 O 0.0061 -0.0003 0.0040 4831 LYS 629 CB 0.0073 0.0021 0.0068 4832 LYS 629 HB2 0.0084 0.0012 0.0065 4833 LYS 629 HB3 0.0068 0.0020 0.0065 4834 LYS 629 CG 0.0077 0.0034 0.0082 4835 LYS 629 HG2 0.0066 0.0042 0.0084 4836 LYS 629 HG3 0.0086 0.0033 0.0086 4837 LYS 629 CD 0.0085 0.0038 0.0089 4838 LYS 629 HD2 0.0087 0.0047 0.0100 4839 LYS 629 HD3 0.0076 0.0039 0.0087 4840 LYS 629 CE 0.0100 0.0027 0.0087 4841 LYS 629 HE2 0.0099 0.0018 0.0077 4842 LYS 629 HE3 0.0110 0.0026 0.0091 4843 LYS 629 NZ 0.0106 0.0031 0.0094 4844 LYS 629 HZ1 0.0099 0.0031 0.0090 4845 LYS 629 HZ2 0.0118 0.0023 0.0092 4846 LYS 629 HZ3 0.0109 0.0040 0.0103 4847 LEU 630 N 0.0045 0.0008 0.0042 4848 LEU 630 HN 0.0040 0.0017 0.0048 4849 LEU 630 CA 0.0039 -0.0003 0.0029 4850 LEU 630 HA 0.0050 -0.0011 0.0026 4851 LEU 630 C 0.0031 0.0002 0.0029 4852 LEU 630 O 0.0022 0.0014 0.0036 4853 LEU 630 CB 0.0027 -0.0006 0.0020 4854 LEU 630 HB2 0.0033 -0.0008 0.0021 4855 LEU 630 HB3 0.0017 0.0003 0.0023 4856 LEU 630 CG 0.0021 -0.0018 0.0006 4857 LEU 630 HG 0.0030 -0.0024 0.0005 4858 LEU 630 CD1 0.0022 -0.0026 -0.0002 4859 LEU 630 HD11 0.0015 -0.0021 -0.0000 4860 LEU 630 HD12 0.0034 -0.0031 0.0001 4861 LEU 630 HD13 0.0017 -0.0035 -0.0012 4862 LEU 630 CD2 0.0004 -0.0013 0.0002 4863 LEU 630 HD21 -0.0005 -0.0007 0.0003 4864 LEU 630 HD22 -0.0000 -0.0021 -0.0008 4865 LEU 630 HD23 0.0003 -0.0007 0.0007 4866 LEU 631 N 0.0033 -0.0001 0.0037 4867 LEU 631 HN 0.0037 -0.0012 0.0035 4868 LEU 631 CA 0.0026 -0.0001 0.0031 4869 LEU 631 HA 0.0024 0.0011 0.0035 4870 LEU 631 C 0.0013 -0.0005 0.0019 4871 LEU 631 O 0.0012 -0.0014 0.0014 4872 LEU 631 CB 0.0034 -0.0012 0.0033 4873 LEU 631 HB2 0.0034 -0.0023 0.0028 4874 LEU 631 HB3 0.0029 -0.0010 0.0030 4875 LEU 631 CG 0.0048 -0.0010 0.0045 4876 LEU 631 HG 0.0053 -0.0013 0.0048 4877 LEU 631 CD1 0.0054 -0.0021 0.0045 4878 LEU 631 HD11 0.0050 -0.0018 0.0043 4879 LEU 631 HD12 0.0054 -0.0032 0.0040 4880 LEU 631 HD13 0.0064 -0.0021 0.0053 4881 LEU 631 CD2 0.0048 0.0005 0.0052 4882 LEU 631 HD21 0.0043 0.0009 0.0049 4883 LEU 631 HD22 0.0058 0.0006 0.0060 4884 LEU 631 HD23 0.0045 0.0013 0.0053 4885 PHE 632 N 0.0004 0.0000 0.0014 4886 PHE 632 HN 0.0006 0.0007 0.0019 4887 PHE 632 CA -0.0009 -0.0002 0.0002 4888 PHE 632 HA -0.0009 -0.0012 -0.0002 4889 PHE 632 C -0.0012 -0.0006 -0.0002 4890 PHE 632 O -0.0006 -0.0003 0.0004 4891 PHE 632 CB -0.0018 0.0012 0.0001 4892 PHE 632 HB2 -0.0014 0.0021 0.0009 4893 PHE 632 HB3 -0.0026 0.0017 -0.0003 4894 PHE 632 CG -0.0025 0.0011 -0.0005 4895 PHE 632 CD1 -0.0018 0.0006 -0.0001 4896 PHE 632 HD1 -0.0007 0.0003 0.0006 4897 PHE 632 CD2 -0.0038 0.0016 -0.0014 4898 PHE 632 HD2 -0.0044 0.0020 -0.0016 4899 PHE 632 CE1 -0.0024 0.0006 -0.0006 4900 PHE 632 HE1 -0.0018 0.0002 -0.0004 4901 PHE 632 CE2 -0.0044 0.0015 -0.0019 4902 PHE 632 HE2 -0.0054 0.0018 -0.0026 4903 PHE 632 CZ -0.0037 0.0010 -0.0015 4904 PHE 632 HZ -0.0042 0.0010 -0.0019 4905 LYS 633 N -0.0019 -0.0011 -0.0005 4906 LYS 633 HN -0.0020 -0.0015 -0.0005 4907 LYS 633 CA -0.0045 -0.0024 -0.0015 4908 LYS 633 HA -0.0047 -0.0007 -0.0023 4909 LYS 633 C -0.0073 -0.0029 -0.0029 4910 LYS 633 O -0.0072 -0.0033 -0.0027 4911 LYS 633 CB -0.0041 -0.0056 0.0000 4912 LYS 633 HB2 -0.0019 -0.0053 0.0011 4913 LYS 633 HB3 -0.0039 -0.0073 0.0008 4914 LYS 633 CG -0.0064 -0.0073 -0.0007 4915 LYS 633 HG2 -0.0058 -0.0095 0.0005 4916 LYS 633 HG3 -0.0085 -0.0079 -0.0016 4917 LYS 633 CD -0.0068 -0.0053 -0.0017 4918 LYS 633 HD2 -0.0046 -0.0043 -0.0008 4919 LYS 633 HD3 -0.0078 -0.0033 -0.0031 4920 LYS 633 CE -0.0085 -0.0071 -0.0020 4921 LYS 633 HE2 -0.0074 -0.0088 -0.0006 4922 LYS 633 HE3 -0.0090 -0.0055 -0.0029 4923 LYS 633 NZ -0.0115 -0.0088 -0.0030 4924 LYS 633 HZ1 -0.0116 -0.0113 -0.0021 4925 LYS 633 HZ2 -0.0131 -0.0086 -0.0040 4926 LYS 633 HZ3 -0.0122 -0.0080 -0.0037 4927 VAL 634 N -0.0098 -0.0029 -0.0044 4928 VAL 634 HN -0.0097 -0.0022 -0.0046 4929 VAL 634 CA -0.0128 -0.0040 -0.0057 4930 VAL 634 HA -0.0126 -0.0052 -0.0051 4931 VAL 634 C -0.0143 -0.0066 -0.0055 4932 VAL 634 O -0.0135 -0.0067 -0.0050 4933 VAL 634 CB -0.0146 -0.0014 -0.0078 4934 VAL 634 HB -0.0169 -0.0025 -0.0086 4935 VAL 634 CG1 -0.0134 0.0009 -0.0080 4936 VAL 634 HG11 -0.0112 0.0023 -0.0072 4937 VAL 634 HG12 -0.0131 -0.0003 -0.0073 4938 VAL 634 HG13 -0.0148 0.0026 -0.0095 4939 VAL 634 CG2 -0.0149 0.0005 -0.0087 4940 VAL 634 HG21 -0.0127 0.0017 -0.0079 4941 VAL 634 HG22 -0.0163 0.0022 -0.0102 4942 VAL 634 HG23 -0.0159 -0.0011 -0.0086 4943 ALA 635 N -0.0231 -0.0113 -0.0081 4944 ALA 635 HN -0.0242 -0.0118 -0.0080 4945 ALA 635 CA -0.0291 -0.0166 -0.0067 4946 ALA 635 HA -0.0346 -0.0189 -0.0068 4947 ALA 635 C -0.0246 -0.0241 -0.0018 4948 ALA 635 O -0.0164 -0.0241 0.0001 4949 ALA 635 CB -0.0331 -0.0123 -0.0099 4950 ALA 635 HB1 -0.0282 -0.0109 -0.0095 4951 ALA 635 HB2 -0.0356 -0.0067 -0.0134 4952 ALA 635 HB3 -0.0386 -0.0163 -0.0091 4953 LEU 636 N -0.0306 -0.0308 0.0003 4954 LEU 636 HN -0.0372 -0.0301 -0.0016 4955 LEU 636 CA -0.0278 -0.0390 0.0052 4956 LEU 636 HA -0.0239 -0.0402 0.0067 4957 LEU 636 C -0.0216 -0.0394 0.0069 4958 LEU 636 O -0.0157 -0.0441 0.0106 4959 LEU 636 CB -0.0361 -0.0453 0.0065 4960 LEU 636 HB2 -0.0421 -0.0424 0.0036 4961 LEU 636 HB3 -0.0373 -0.0468 0.0070 4962 LEU 636 CG -0.0360 -0.0532 0.0106 4963 LEU 636 HG -0.0348 -0.0515 0.0100 4964 LEU 636 CD1 -0.0451 -0.0583 0.0111 4965 LEU 636 HD11 -0.0467 -0.0601 0.0117 4966 LEU 636 HD12 -0.0504 -0.0548 0.0081 4967 LEU 636 HD13 -0.0452 -0.0638 0.0140 4968 LEU 636 CD2 -0.0286 -0.0583 0.0150 4969 LEU 636 HD21 -0.0291 -0.0596 0.0156 4970 LEU 636 HD22 -0.0291 -0.0641 0.0179 4971 LEU 636 HD23 -0.0220 -0.0552 0.0149 4972 GLU 637 N -0.0208 -0.0266 -0.0035 4973 GLU 637 HN -0.0236 -0.0243 -0.0044 4974 GLU 637 CA -0.0166 -0.0267 -0.0024 4975 GLU 637 HA -0.0146 -0.0303 -0.0016 4976 GLU 637 C -0.0131 -0.0222 -0.0019 4977 GLU 637 O -0.0146 -0.0179 -0.0026 4978 GLU 637 CB -0.0183 -0.0261 -0.0029 4979 GLU 637 HB2 -0.0214 -0.0288 -0.0035 4980 GLU 637 HB3 -0.0198 -0.0223 -0.0036 4981 GLU 637 CG -0.0141 -0.0271 -0.0017 4982 GLU 637 HG2 -0.0129 -0.0311 -0.0011 4983 GLU 637 HG3 -0.0109 -0.0246 -0.0011 4984 GLU 637 CD -0.0156 -0.0263 -0.0022 4985 GLU 637 OE1 -0.0201 -0.0256 -0.0034 4986 GLU 637 OE2 -0.0120 -0.0263 -0.0012 4987 ASP 638 N -0.0081 -0.0233 -0.0005 4988 ASP 638 HN -0.0070 -0.0269 0.0001 4989 ASP 638 CA -0.0043 -0.0195 0.0002 4990 ASP 638 HA -0.0062 -0.0166 -0.0005 4991 ASP 638 C -0.0026 -0.0167 0.0004 4992 ASP 638 O 0.0016 -0.0170 0.0015 4993 ASP 638 CB -0.0001 -0.0216 0.0014 4994 ASP 638 HB2 0.0023 -0.0240 0.0023 4995 ASP 638 HB3 -0.0014 -0.0240 0.0013 4996 ASP 638 CG 0.0028 -0.0171 0.0018 4997 ASP 638 OD1 0.0075 -0.0174 0.0031 4998 ASP 638 OD2 0.0004 -0.0133 0.0009 4999 VAL 639 N -0.0059 -0.0150 -0.0004 5000 VAL 639 HN -0.0089 -0.0152 -0.0013 5001 VAL 639 CA -0.0048 -0.0124 -0.0000 5002 VAL 639 HA -0.0027 -0.0144 0.0005 5003 VAL 639 C -0.0023 -0.0085 0.0008 5004 VAL 639 O -0.0029 -0.0067 0.0007 5005 VAL 639 CB -0.0085 -0.0109 -0.0011 5006 VAL 639 HB -0.0073 -0.0088 -0.0007 5007 VAL 639 CG1 -0.0117 -0.0083 -0.0019 5008 VAL 639 HG11 -0.0133 -0.0103 -0.0024 5009 VAL 639 HG12 -0.0141 -0.0071 -0.0026 5010 VAL 639 HG13 -0.0104 -0.0056 -0.0015 5011 VAL 639 CG2 -0.0105 -0.0147 -0.0017 5012 VAL 639 HG21 -0.0120 -0.0168 -0.0022 5013 VAL 639 HG22 -0.0083 -0.0165 -0.0011 5014 VAL 639 HG23 -0.0129 -0.0135 -0.0024 5015 GLN 640 N 0.0007 -0.0072 0.0017 5016 GLN 640 HN 0.0008 -0.0085 0.0017 5017 GLN 640 CA 0.0036 -0.0038 0.0026 5018 GLN 640 HA 0.0039 -0.0037 0.0027 5019 GLN 640 C 0.0017 0.0006 0.0022 5020 GLN 640 O -0.0017 0.0010 0.0012 5021 GLN 640 CB 0.0079 -0.0048 0.0038 5022 GLN 640 HB2 0.0076 -0.0070 0.0037 5023 GLN 640 HB3 0.0092 -0.0019 0.0043 5024 GLN 640 CG 0.0110 -0.0067 0.0047 5025 GLN 640 HG2 0.0120 -0.0041 0.0051 5026 GLN 640 HG3 0.0137 -0.0079 0.0055 5027 GLN 640 CD 0.0093 -0.0102 0.0041 5028 GLN 640 OE1 0.0096 -0.0101 0.0042 5029 GLN 640 NE2 0.0074 -0.0135 0.0035 5030 GLN 640 HE21 0.0057 -0.0157 0.0030 5031 GLN 640 HE22 0.0075 -0.0139 0.0035 5032 ILE 641 N 0.0044 0.0028 0.0036 5033 ILE 641 HN 0.0069 0.0023 0.0042 5034 ILE 641 CA 0.0031 0.0068 0.0035 5035 ILE 641 HA 0.0055 0.0085 0.0043 5036 ILE 641 C 0.0003 0.0072 0.0028 5037 ILE 641 O 0.0010 0.0091 0.0031 5038 ILE 641 CB 0.0017 0.0083 0.0032 5039 ILE 641 HB -0.0010 0.0069 0.0024 5040 ILE 641 CG1 0.0043 0.0074 0.0039 5041 ILE 641 HG12 0.0045 0.0043 0.0037 5042 ILE 641 HG13 0.0031 0.0085 0.0036 5043 ILE 641 CG2 0.0008 0.0125 0.0033 5044 ILE 641 HG21 0.0032 0.0142 0.0040 5045 ILE 641 HG22 -0.0015 0.0132 0.0027 5046 ILE 641 HG23 -0.0001 0.0136 0.0031 5047 ILE 641 CD1 0.0082 0.0089 0.0050 5048 ILE 641 HD11 0.0096 0.0076 0.0053 5049 ILE 641 HD12 0.0082 0.0120 0.0052 5050 ILE 641 HD13 0.0098 0.0082 0.0054 5051 SER 642 N -0.0028 0.0051 0.0018 5052 SER 642 HN -0.0031 0.0034 0.0016 5053 SER 642 CA -0.0056 0.0050 0.0010 5054 SER 642 HA -0.0061 0.0079 0.0011 5055 SER 642 C -0.0043 0.0027 0.0012 5056 SER 642 O -0.0062 0.0002 0.0005 5057 SER 642 CB -0.0092 0.0033 -0.0001 5058 SER 642 HB2 -0.0088 0.0004 -0.0002 5059 SER 642 HB3 -0.0103 0.0050 -0.0003 5060 SER 642 OG -0.0120 0.0033 -0.0008 5061 SER 642 HG -0.0109 0.0018 -0.0007 5062 LYS 643 N -0.0003 0.0014 0.0023 5063 LYS 643 HN 0.0005 0.0028 0.0027 5064 LYS 643 CA 0.0005 0.0005 0.0024 5065 LYS 643 HA -0.0006 -0.0007 0.0019 5066 LYS 643 C 0.0007 0.0027 0.0027 5067 LYS 643 O 0.0018 0.0044 0.0033 5068 LYS 643 CB 0.0030 -0.0005 0.0030 5069 LYS 643 HB2 0.0041 0.0008 0.0035 5070 LYS 643 HB3 0.0036 -0.0009 0.0031 5071 LYS 643 CG 0.0032 -0.0027 0.0028 5072 LYS 643 HG2 0.0023 -0.0024 0.0026 5073 LYS 643 HG3 0.0050 -0.0030 0.0033 5074 LYS 643 CD 0.0023 -0.0050 0.0022 5075 LYS 643 HD2 0.0019 -0.0062 0.0020 5076 LYS 643 HD3 0.0007 -0.0045 0.0018 5077 LYS 643 CE 0.0040 -0.0062 0.0026 5078 LYS 643 HE2 0.0030 -0.0071 0.0022 5079 LYS 643 HE3 0.0051 -0.0049 0.0031 5080 LYS 643 NZ 0.0054 -0.0080 0.0028 5081 LYS 643 HZ1 0.0045 -0.0096 0.0023 5082 LYS 643 HZ2 0.0069 -0.0085 0.0031 5083 LYS 643 HZ3 0.0058 -0.0076 0.0029 5084 ASP 644 N -0.0004 0.0025 0.0024 5085 ASP 644 HN -0.0013 0.0010 0.0019 5086 ASP 644 CA -0.0002 0.0044 0.0027 5087 ASP 644 HA 0.0002 0.0060 0.0030 5088 ASP 644 C 0.0019 0.0036 0.0032 5089 ASP 644 O 0.0021 0.0017 0.0030 5090 ASP 644 CB -0.0023 0.0048 0.0021 5091 ASP 644 HB2 -0.0018 0.0053 0.0023 5092 ASP 644 HB3 -0.0033 0.0032 0.0016 5093 ASP 644 CG -0.0037 0.0068 0.0020 5094 ASP 644 OD1 -0.0032 0.0089 0.0024 5095 ASP 644 OD2 -0.0052 0.0064 0.0015 5096 THR 645 N 0.0018 0.0042 0.0040 5097 THR 645 HN 0.0018 0.0048 0.0046 5098 THR 645 CA 0.0022 0.0042 0.0042 5099 THR 645 HA 0.0025 0.0034 0.0036 5100 THR 645 C 0.0010 0.0049 0.0042 5101 THR 645 O 0.0008 0.0058 0.0050 5102 THR 645 CB 0.0034 0.0046 0.0052 5103 THR 645 HB 0.0030 0.0055 0.0058 5104 THR 645 OG1 0.0043 0.0043 0.0054 5105 THR 645 HG1 0.0038 0.0041 0.0050 5106 THR 645 CG2 0.0041 0.0043 0.0053 5107 THR 645 HG21 0.0048 0.0035 0.0049 5108 THR 645 HG22 0.0035 0.0043 0.0050 5109 THR 645 HG23 0.0047 0.0049 0.0061 5110 LEU 646 N 0.0001 0.0043 0.0033 5111 LEU 646 HN 0.0004 0.0035 0.0027 5112 LEU 646 CA -0.0012 0.0049 0.0031 5113 LEU 646 HA -0.0015 0.0056 0.0036 5114 LEU 646 C -0.0012 0.0052 0.0034 5115 LEU 646 O -0.0020 0.0060 0.0038 5116 LEU 646 CB -0.0020 0.0042 0.0020 5117 LEU 646 HB2 -0.0018 0.0039 0.0019 5118 LEU 646 HB3 -0.0017 0.0035 0.0015 5119 LEU 646 CG -0.0035 0.0047 0.0017 5120 LEU 646 HG -0.0039 0.0041 0.0010 5121 LEU 646 CD1 -0.0041 0.0048 0.0015 5122 LEU 646 HD11 -0.0038 0.0054 0.0022 5123 LEU 646 HD12 -0.0037 0.0040 0.0010 5124 LEU 646 HD13 -0.0051 0.0050 0.0012 5125 LEU 646 CD2 -0.0040 0.0057 0.0025 5126 LEU 646 HD21 -0.0037 0.0064 0.0032 5127 LEU 646 HD22 -0.0050 0.0060 0.0022 5128 LEU 646 HD23 -0.0035 0.0057 0.0026 5129 SER 647 N -0.0008 0.0041 0.0031 5130 SER 647 HN -0.0002 0.0035 0.0029 5131 SER 647 CA -0.0009 0.0041 0.0030 5132 SER 647 HA -0.0017 0.0048 0.0033 5133 SER 647 C 0.0004 0.0042 0.0038 5134 SER 647 O 0.0012 0.0034 0.0035 5135 SER 647 CB -0.0012 0.0030 0.0019 5136 SER 647 HB2 -0.0009 0.0028 0.0019 5137 SER 647 HB3 -0.0008 0.0023 0.0015 5138 SER 647 OG -0.0026 0.0032 0.0014 5139 SER 647 HG -0.0028 0.0025 0.0007 5140 GLN 648 N 0.0006 0.0052 0.0048 5141 GLN 648 HN -0.0000 0.0058 0.0050 5142 GLN 648 CA 0.0016 0.0056 0.0056 5143 GLN 648 HA 0.0024 0.0048 0.0053 5144 GLN 648 C 0.0008 0.0062 0.0057 5145 GLN 648 O 0.0000 0.0071 0.0062 5146 GLN 648 CB 0.0022 0.0063 0.0065 5147 GLN 648 HB2 0.0014 0.0071 0.0069 5148 GLN 648 HB3 0.0029 0.0065 0.0071 5149 GLN 648 CG 0.0028 0.0058 0.0064 5150 GLN 648 HG2 0.0020 0.0057 0.0059 5151 GLN 648 HG3 0.0034 0.0050 0.0060 5152 GLN 648 CD 0.0035 0.0065 0.0074 5153 GLN 648 OE1 0.0047 0.0064 0.0078 5154 GLN 648 NE2 0.0027 0.0074 0.0077 5155 GLN 648 HE21 0.0031 0.0079 0.0084 5156 GLN 648 HE22 0.0017 0.0076 0.0074 5157 LEU 649 N 0.0006 0.0051 0.0059 5158 LEU 649 HN 0.0015 0.0044 0.0054 5159 LEU 649 CA -0.0008 0.0055 0.0056 5160 LEU 649 HA -0.0019 0.0060 0.0058 5161 LEU 649 C -0.0006 0.0062 0.0068 5162 LEU 649 O 0.0007 0.0063 0.0077 5163 LEU 649 CB -0.0011 0.0046 0.0041 5164 LEU 649 HB2 -0.0000 0.0038 0.0036 5165 LEU 649 HB3 -0.0013 0.0046 0.0041 5166 LEU 649 CG -0.0027 0.0044 0.0030 5167 LEU 649 HG -0.0027 0.0037 0.0019 5168 LEU 649 CD1 -0.0043 0.0054 0.0034 5169 LEU 649 HD11 -0.0044 0.0061 0.0045 5170 LEU 649 HD12 -0.0045 0.0055 0.0036 5171 LEU 649 HD13 -0.0054 0.0052 0.0026 5172 LEU 649 CD2 -0.0025 0.0042 0.0027 5173 LEU 649 HD21 -0.0024 0.0048 0.0037 5174 LEU 649 HD22 -0.0035 0.0040 0.0018 5175 LEU 649 HD23 -0.0013 0.0035 0.0023 5176 GLU 650 N -0.0021 0.0067 0.0067 5177 GLU 650 HN -0.0031 0.0066 0.0059 5178 GLU 650 CA -0.0022 0.0074 0.0076 5179 GLU 650 HA -0.0014 0.0078 0.0087 5180 GLU 650 C -0.0016 0.0067 0.0070 5181 GLU 650 O -0.0011 0.0070 0.0078 5182 GLU 650 CB -0.0041 0.0082 0.0078 5183 GLU 650 HB2 -0.0041 0.0088 0.0086 5184 GLU 650 HB3 -0.0044 0.0087 0.0083 5185 GLU 650 CG -0.0053 0.0077 0.0064 5186 GLU 650 HG2 -0.0055 0.0077 0.0063 5187 GLU 650 HG3 -0.0049 0.0069 0.0054 5188 GLU 650 CD -0.0070 0.0083 0.0062 5189 GLU 650 OE1 -0.0076 0.0093 0.0074 5190 GLU 650 OE2 -0.0078 0.0077 0.0049 5191 GLU 651 N -0.0020 0.0062 0.0058 5192 GLU 651 HN -0.0024 0.0059 0.0052 5193 GLU 651 CA -0.0018 0.0057 0.0051 5194 GLU 651 HA -0.0009 0.0057 0.0058 5195 GLU 651 C -0.0012 0.0046 0.0036 5196 GLU 651 O -0.0013 0.0043 0.0030 5197 GLU 651 CB -0.0034 0.0061 0.0047 5198 GLU 651 HB2 -0.0043 0.0061 0.0041 5199 GLU 651 HB3 -0.0033 0.0056 0.0039 5200 GLU 651 CG -0.0040 0.0070 0.0060 5201 GLU 651 HG2 -0.0041 0.0076 0.0068 5202 GLU 651 HG3 -0.0031 0.0070 0.0065 5203 GLU 651 CD -0.0056 0.0074 0.0055 5204 GLU 651 OE1 -0.0061 0.0082 0.0066 5205 GLU 651 OE2 -0.0063 0.0069 0.0042 5206 VAL 652 N -0.0006 0.0040 0.0030 5207 VAL 652 HN -0.0006 0.0043 0.0035 5208 VAL 652 CA 0.0002 0.0030 0.0017 5209 VAL 652 HA 0.0007 0.0028 0.0017 5210 VAL 652 C -0.0011 0.0026 0.0002 5211 VAL 652 O -0.0007 0.0018 -0.0009 5212 VAL 652 CB 0.0015 0.0024 0.0017 5213 VAL 652 HB 0.0019 0.0017 0.0006 5214 VAL 652 CG1 0.0009 0.0027 0.0017 5215 VAL 652 HG11 0.0005 0.0034 0.0028 5216 VAL 652 HG12 0.0018 0.0022 0.0016 5217 VAL 652 HG13 -0.0001 0.0026 0.0008 5218 VAL 652 CG2 0.0029 0.0026 0.0029 5219 VAL 652 HG21 0.0026 0.0033 0.0040 5220 VAL 652 HG22 0.0034 0.0024 0.0029 5221 VAL 652 HG23 0.0039 0.0021 0.0028 5222 GLU 653 N -0.0028 0.0039 -0.0017 5223 GLU 653 HN -0.0030 0.0043 -0.0011 5224 GLU 653 CA -0.0038 0.0035 -0.0026 5225 GLU 653 HA -0.0034 0.0030 -0.0034 5226 GLU 653 C -0.0042 0.0037 -0.0024 5227 GLU 653 O -0.0045 0.0032 -0.0032 5228 GLU 653 CB -0.0050 0.0037 -0.0025 5229 GLU 653 HB2 -0.0052 0.0042 -0.0017 5230 GLU 653 HB3 -0.0059 0.0036 -0.0028 5231 GLU 653 CG -0.0050 0.0033 -0.0032 5232 GLU 653 HG2 -0.0046 0.0035 -0.0027 5233 GLU 653 HG3 -0.0044 0.0028 -0.0039 5234 GLU 653 CD -0.0063 0.0031 -0.0037 5235 GLU 653 OE1 -0.0070 0.0036 -0.0031 5236 GLU 653 OE2 -0.0066 0.0026 -0.0047 5237 ARG 654 N -0.0043 0.0043 -0.0014 5238 ARG 654 HN -0.0039 0.0046 -0.0008 5239 ARG 654 CA -0.0049 0.0046 -0.0010 5240 ARG 654 HA -0.0057 0.0044 -0.0015 5241 ARG 654 C -0.0040 0.0043 -0.0012 5242 ARG 654 O -0.0044 0.0042 -0.0016 5243 ARG 654 CB -0.0051 0.0053 0.0002 5244 ARG 654 HB2 -0.0042 0.0055 0.0007 5245 ARG 654 HB3 -0.0055 0.0055 0.0005 5246 ARG 654 CG -0.0059 0.0056 0.0006 5247 ARG 654 HG2 -0.0056 0.0061 0.0014 5248 ARG 654 HG3 -0.0057 0.0053 0.0001 5249 ARG 654 CD -0.0073 0.0057 0.0005 5250 ARG 654 HD2 -0.0078 0.0057 0.0004 5251 ARG 654 HD3 -0.0076 0.0054 -0.0002 5252 ARG 654 NE -0.0077 0.0064 0.0015 5253 ARG 654 HE -0.0071 0.0067 0.0022 5254 ARG 654 CZ -0.0089 0.0066 0.0017 5255 ARG 654 NH1 -0.0099 0.0063 0.0010 5256 ARG 654 HH11 -0.0098 0.0059 0.0003 5257 ARG 654 HH12 -0.0108 0.0065 0.0011 5258 ARG 654 NH2 -0.0091 0.0072 0.0027 5259 ARG 654 HH21 -0.0082 0.0075 0.0032 5260 ARG 654 HH22 -0.0099 0.0075 0.0030 5261 LYS 655 N -0.0028 0.0040 0.0008 5262 LYS 655 HN -0.0027 0.0043 0.0020 5263 LYS 655 CA -0.0013 0.0028 0.0002 5264 LYS 655 HA -0.0014 0.0028 0.0001 5265 LYS 655 C -0.0013 0.0021 -0.0018 5266 LYS 655 O -0.0009 0.0014 -0.0030 5267 LYS 655 CB 0.0002 0.0021 0.0016 5268 LYS 655 HB2 0.0002 0.0025 0.0029 5269 LYS 655 HB3 0.0001 0.0022 0.0020 5270 LYS 655 CG 0.0017 0.0007 0.0008 5271 LYS 655 HG2 0.0018 0.0003 -0.0003 5272 LYS 655 HG3 0.0017 0.0005 0.0002 5273 LYS 655 CD 0.0032 0.0001 0.0024 5274 LYS 655 HD2 0.0030 0.0005 0.0033 5275 LYS 655 HD3 0.0033 0.0003 0.0032 5276 LYS 655 CE 0.0047 -0.0012 0.0015 5277 LYS 655 HE2 0.0048 -0.0017 0.0004 5278 LYS 655 HE3 0.0047 -0.0015 0.0010 5279 LYS 655 NZ 0.0061 -0.0018 0.0030 5280 LYS 655 HZ1 0.0062 -0.0019 0.0032 5281 LYS 655 HZ2 0.0071 -0.0027 0.0026 5282 LYS 655 HZ3 0.0060 -0.0013 0.0043 5283 LEU 656 N -0.0017 0.0023 -0.0020 5284 LEU 656 HN -0.0019 0.0028 -0.0009 5285 LEU 656 CA -0.0017 0.0017 -0.0038 5286 LEU 656 HA -0.0005 0.0008 -0.0042 5287 LEU 656 C -0.0029 0.0022 -0.0053 5288 LEU 656 O -0.0027 0.0015 -0.0069 5289 LEU 656 CB -0.0019 0.0020 -0.0037 5290 LEU 656 HB2 -0.0011 0.0017 -0.0025 5291 LEU 656 HB3 -0.0031 0.0030 -0.0033 5292 LEU 656 CG -0.0018 0.0014 -0.0055 5293 LEU 656 HG -0.0028 0.0017 -0.0066 5294 LEU 656 CD1 -0.0002 -0.0000 -0.0061 5295 LEU 656 HD11 0.0007 -0.0004 -0.0050 5296 LEU 656 HD12 -0.0001 -0.0003 -0.0066 5297 LEU 656 HD13 -0.0002 -0.0004 -0.0073 5298 LEU 656 CD2 -0.0022 0.0017 -0.0052 5299 LEU 656 HD21 -0.0013 0.0014 -0.0041 5300 LEU 656 HD22 -0.0021 0.0013 -0.0065 5301 LEU 656 HD23 -0.0033 0.0027 -0.0048 5302 GLU 657 N -0.0043 0.0032 -0.0040 5303 GLU 657 HN -0.0043 0.0035 -0.0035 5304 GLU 657 CA -0.0053 0.0031 -0.0043 5305 GLU 657 HA -0.0053 0.0027 -0.0050 5306 GLU 657 C -0.0054 0.0033 -0.0042 5307 GLU 657 O -0.0058 0.0030 -0.0047 5308 GLU 657 CB -0.0061 0.0035 -0.0041 5309 GLU 657 HB2 -0.0060 0.0035 -0.0040 5310 GLU 657 HB3 -0.0063 0.0039 -0.0034 5311 GLU 657 CG -0.0071 0.0033 -0.0047 5312 GLU 657 HG2 -0.0072 0.0033 -0.0048 5313 GLU 657 HG3 -0.0077 0.0037 -0.0044 5314 GLU 657 CD -0.0070 0.0028 -0.0055 5315 GLU 657 OE1 -0.0070 0.0028 -0.0055 5316 GLU 657 OE2 -0.0067 0.0024 -0.0061 5317 SER 658 N -0.0050 0.0037 -0.0034 5318 SER 658 HN -0.0047 0.0039 -0.0029 5319 SER 658 CA -0.0051 0.0038 -0.0032 5320 SER 658 HA -0.0059 0.0039 -0.0034 5321 SER 658 C -0.0045 0.0033 -0.0038 5322 SER 658 O -0.0049 0.0031 -0.0043 5323 SER 658 CB -0.0048 0.0043 -0.0023 5324 SER 658 HB2 -0.0040 0.0042 -0.0022 5325 SER 658 HB3 -0.0050 0.0046 -0.0018 5326 SER 658 OG -0.0052 0.0045 -0.0021 5327 SER 658 HG -0.0051 0.0042 -0.0025 5328 SER 659 N -0.0033 0.0025 -0.0029 5329 SER 659 HN -0.0032 0.0027 -0.0025 5330 SER 659 CA -0.0027 0.0021 -0.0035 5331 SER 659 HA -0.0026 0.0022 -0.0032 5332 SER 659 C -0.0031 0.0018 -0.0045 5333 SER 659 O -0.0030 0.0015 -0.0049 5334 SER 659 CB -0.0017 0.0019 -0.0034 5335 SER 659 HB2 -0.0013 0.0021 -0.0027 5336 SER 659 HB3 -0.0012 0.0015 -0.0039 5337 SER 659 OG -0.0017 0.0018 -0.0035 5338 SER 659 HG -0.0021 0.0021 -0.0030 5339 ARG 660 N -0.0036 0.0018 -0.0048 5340 ARG 660 HN -0.0036 0.0020 -0.0044 5341 ARG 660 CA -0.0041 0.0015 -0.0057 5342 ARG 660 HA -0.0036 0.0012 -0.0062 5343 ARG 660 C -0.0049 0.0017 -0.0058 5344 ARG 660 O -0.0050 0.0014 -0.0066 5345 ARG 660 CB -0.0046 0.0015 -0.0059 5346 ARG 660 HB2 -0.0040 0.0015 -0.0057 5347 ARG 660 HB3 -0.0052 0.0019 -0.0055 5348 ARG 660 CG -0.0049 0.0012 -0.0070 5349 ARG 660 HG2 -0.0042 0.0008 -0.0073 5350 ARG 660 HG3 -0.0053 0.0012 -0.0072 5351 ARG 660 CD -0.0054 0.0012 -0.0072 5352 ARG 660 HD2 -0.0057 0.0009 -0.0079 5353 ARG 660 HD3 -0.0061 0.0015 -0.0069 5354 ARG 660 NE -0.0048 0.0011 -0.0070 5355 ARG 660 HE -0.0043 0.0008 -0.0074 5356 ARG 660 CZ -0.0050 0.0015 -0.0064 5357 ARG 660 NH1 -0.0057 0.0019 -0.0058 5358 ARG 660 HH11 -0.0062 0.0021 -0.0057 5359 ARG 660 HH12 -0.0059 0.0021 -0.0054 5360 ARG 660 NH2 -0.0045 0.0013 -0.0063 5361 ARG 660 HH21 -0.0039 0.0010 -0.0067 5362 ARG 660 HH22 -0.0046 0.0016 -0.0059 5363 GLU 661 N -0.0061 0.0030 -0.0040 5364 GLU 661 HN -0.0060 0.0032 -0.0035 5365 GLU 661 CA -0.0067 0.0032 -0.0042 5366 GLU 661 HA -0.0070 0.0031 -0.0047 5367 GLU 661 C -0.0064 0.0030 -0.0042 5368 GLU 661 O -0.0067 0.0029 -0.0047 5369 GLU 661 CB -0.0073 0.0037 -0.0037 5370 GLU 661 HB2 -0.0071 0.0038 -0.0032 5371 GLU 661 HB3 -0.0074 0.0039 -0.0034 5372 GLU 661 CG -0.0081 0.0039 -0.0040 5373 GLU 661 HG2 -0.0084 0.0042 -0.0036 5374 GLU 661 HG3 -0.0080 0.0037 -0.0043 5375 GLU 661 CD -0.0085 0.0038 -0.0046 5376 GLU 661 OE1 -0.0086 0.0040 -0.0043 5377 GLU 661 OE2 -0.0087 0.0036 -0.0053 5378 ASP 662 N -0.0058 0.0030 -0.0037 5379 ASP 662 HN -0.0057 0.0032 -0.0032 5380 ASP 662 CA -0.0055 0.0029 -0.0036 5381 ASP 662 HA -0.0060 0.0031 -0.0036 5382 ASP 662 C -0.0052 0.0024 -0.0043 5383 ASP 662 O -0.0053 0.0023 -0.0047 5384 ASP 662 CB -0.0049 0.0030 -0.0029 5385 ASP 662 HB2 -0.0046 0.0028 -0.0030 5386 ASP 662 HB3 -0.0045 0.0029 -0.0028 5387 ASP 662 CG -0.0053 0.0035 -0.0022 5388 ASP 662 OD1 -0.0057 0.0036 -0.0023 5389 ASP 662 OD2 -0.0052 0.0037 -0.0017 5390 ASP 663 N -0.0050 0.0019 -0.0044 5391 ASP 663 HN -0.0049 0.0020 -0.0041 5392 ASP 663 CA -0.0047 0.0016 -0.0050 5393 ASP 663 HA -0.0044 0.0014 -0.0050 5394 ASP 663 C -0.0052 0.0015 -0.0056 5395 ASP 663 O -0.0052 0.0013 -0.0060 5396 ASP 663 CB -0.0043 0.0014 -0.0050 5397 ASP 663 HB2 -0.0047 0.0015 -0.0049 5398 ASP 663 HB3 -0.0040 0.0014 -0.0046 5399 ASP 663 CG -0.0040 0.0010 -0.0056 5400 ASP 663 OD1 -0.0037 0.0008 -0.0057 5401 ASP 663 OD2 -0.0042 0.0009 -0.0059 5402 ARG 664 N -0.0058 0.0018 -0.0055 5403 ARG 664 HN -0.0058 0.0020 -0.0052 5404 ARG 664 CA -0.0063 0.0018 -0.0061 5405 ARG 664 HA -0.0062 0.0016 -0.0065 5406 ARG 664 C -0.0066 0.0019 -0.0061 5407 ARG 664 O -0.0068 0.0018 -0.0067 5408 ARG 664 CB -0.0069 0.0021 -0.0059 5409 ARG 664 HB2 -0.0069 0.0023 -0.0054 5410 ARG 664 HB3 -0.0073 0.0022 -0.0062 5411 ARG 664 CG -0.0069 0.0020 -0.0062 5412 ARG 664 HG2 -0.0064 0.0018 -0.0061 5413 ARG 664 HG3 -0.0070 0.0019 -0.0067 5414 ARG 664 CD -0.0073 0.0023 -0.0059 5415 ARG 664 HD2 -0.0071 0.0024 -0.0054 5416 ARG 664 HD3 -0.0074 0.0022 -0.0062 5417 ARG 664 NE -0.0079 0.0026 -0.0058 5418 ARG 664 HE -0.0080 0.0028 -0.0054 5419 ARG 664 CZ -0.0085 0.0027 -0.0062 5420 ARG 664 NH1 -0.0086 0.0025 -0.0068 5421 ARG 664 HH11 -0.0082 0.0023 -0.0069 5422 ARG 664 HH12 -0.0090 0.0026 -0.0070 5423 ARG 664 NH2 -0.0090 0.0030 -0.0060 5424 ARG 664 HH21 -0.0088 0.0032 -0.0055 5425 ARG 664 HH22 -0.0094 0.0031 -0.0062 5426 VAL 665 N -0.0067 0.0031 -0.0043 5427 VAL 665 HN -0.0065 0.0033 -0.0037 5428 VAL 665 CA -0.0069 0.0032 -0.0046 5429 VAL 665 HA -0.0073 0.0035 -0.0051 5430 VAL 665 C -0.0064 0.0025 -0.0051 5431 VAL 665 O -0.0066 0.0025 -0.0057 5432 VAL 665 CB -0.0070 0.0036 -0.0039 5433 VAL 665 HB -0.0066 0.0034 -0.0034 5434 VAL 665 CG1 -0.0071 0.0036 -0.0042 5435 VAL 665 HG11 -0.0075 0.0038 -0.0048 5436 VAL 665 HG12 -0.0067 0.0031 -0.0043 5437 VAL 665 HG13 -0.0072 0.0039 -0.0037 5438 VAL 665 CG2 -0.0076 0.0043 -0.0036 5439 VAL 665 HG21 -0.0080 0.0046 -0.0042 5440 VAL 665 HG22 -0.0077 0.0046 -0.0031 5441 VAL 665 HG23 -0.0075 0.0044 -0.0034 5442 LEU 666 N -0.0058 0.0020 -0.0047 5443 LEU 666 HN -0.0056 0.0022 -0.0041 5444 LEU 666 CA -0.0053 0.0014 -0.0050 5445 LEU 666 HA -0.0054 0.0014 -0.0051 5446 LEU 666 C -0.0054 0.0011 -0.0059 5447 LEU 666 O -0.0054 0.0009 -0.0066 5448 LEU 666 CB -0.0046 0.0009 -0.0045 5449 LEU 666 HB2 -0.0045 0.0011 -0.0038 5450 LEU 666 HB3 -0.0045 0.0009 -0.0043 5451 LEU 666 CG -0.0040 0.0002 -0.0048 5452 LEU 666 HG -0.0041 -0.0001 -0.0055 5453 LEU 666 CD1 -0.0040 0.0001 -0.0050 5454 LEU 666 HD11 -0.0040 0.0003 -0.0044 5455 LEU 666 HD12 -0.0045 0.0003 -0.0055 5456 LEU 666 HD13 -0.0036 -0.0004 -0.0052 5457 LEU 666 CD2 -0.0034 -0.0003 -0.0042 5458 LEU 666 HD21 -0.0033 -0.0001 -0.0036 5459 LEU 666 HD22 -0.0030 -0.0008 -0.0045 5460 LEU 666 HD23 -0.0034 -0.0003 -0.0041 5461 LYS 667 N -0.0054 0.0014 -0.0066 5462 LYS 667 HN -0.0054 0.0015 -0.0063 5463 LYS 667 CA -0.0055 0.0013 -0.0073 5464 LYS 667 HA -0.0052 0.0011 -0.0075 5465 LYS 667 C -0.0062 0.0015 -0.0076 5466 LYS 667 O -0.0065 0.0015 -0.0080 5467 LYS 667 CB -0.0052 0.0011 -0.0076 5468 LYS 667 HB2 -0.0051 0.0009 -0.0081 5469 LYS 667 HB3 -0.0048 0.0010 -0.0073 5470 LYS 667 CG -0.0056 0.0013 -0.0076 5471 LYS 667 HG2 -0.0059 0.0015 -0.0071 5472 LYS 667 HG3 -0.0060 0.0013 -0.0080 5473 LYS 667 CD -0.0053 0.0011 -0.0076 5474 LYS 667 HD2 -0.0049 0.0009 -0.0079 5475 LYS 667 HD3 -0.0056 0.0012 -0.0078 5476 LYS 667 CE -0.0050 0.0012 -0.0069 5477 LYS 667 HE2 -0.0054 0.0014 -0.0065 5478 LYS 667 HE3 -0.0047 0.0011 -0.0066 5479 LYS 667 NZ -0.0047 0.0011 -0.0068 5480 LYS 667 HZ1 -0.0049 0.0011 -0.0071 5481 LYS 667 HZ2 -0.0047 0.0012 -0.0063 5482 LYS 667 HZ3 -0.0042 0.0009 -0.0069 5483 LYS 668 N -0.0065 0.0017 -0.0073 5484 LYS 668 HN -0.0063 0.0017 -0.0068 5485 LYS 668 CA -0.0069 0.0018 -0.0077 5486 LYS 668 HA -0.0070 0.0017 -0.0082 5487 LYS 668 C -0.0067 0.0017 -0.0076 5488 LYS 668 O -0.0070 0.0018 -0.0079 5489 LYS 668 CB -0.0076 0.0021 -0.0074 5490 LYS 668 HB2 -0.0076 0.0022 -0.0069 5491 LYS 668 HB3 -0.0079 0.0022 -0.0077 5492 LYS 668 CG -0.0079 0.0022 -0.0073 5493 LYS 668 HG2 -0.0076 0.0022 -0.0070 5494 LYS 668 HG3 -0.0083 0.0025 -0.0071 5495 LYS 668 CD -0.0080 0.0021 -0.0080 5496 LYS 668 HD2 -0.0077 0.0019 -0.0083 5497 LYS 668 HD3 -0.0085 0.0023 -0.0082 5498 LYS 668 CE -0.0080 0.0022 -0.0079 5499 LYS 668 HE2 -0.0081 0.0021 -0.0083 5500 LYS 668 HE3 -0.0083 0.0024 -0.0075 5501 LYS 668 NZ -0.0073 0.0020 -0.0076 5502 LYS 668 HZ1 -0.0070 0.0018 -0.0079 5503 LYS 668 HZ2 -0.0073 0.0019 -0.0077 5504 LYS 668 HZ3 -0.0072 0.0020 -0.0071 5505 MET 669 N -0.0065 0.0016 -0.0070 5506 MET 669 HN -0.0062 0.0015 -0.0067 5507 MET 669 CA -0.0061 0.0015 -0.0069 5508 MET 669 HA -0.0066 0.0016 -0.0070 5509 MET 669 C -0.0055 0.0011 -0.0076 5510 MET 669 O -0.0053 0.0010 -0.0078 5511 MET 669 CB -0.0057 0.0014 -0.0060 5512 MET 669 HB2 -0.0052 0.0013 -0.0059 5513 MET 669 HB3 -0.0062 0.0017 -0.0055 5514 MET 669 CG -0.0055 0.0014 -0.0057 5515 MET 669 HG2 -0.0056 0.0016 -0.0050 5516 MET 669 HG3 -0.0059 0.0015 -0.0061 5517 MET 669 SD -0.0044 0.0010 -0.0058 5518 MET 669 CE -0.0044 0.0010 -0.0054 5519 MET 669 HE1 -0.0038 0.0008 -0.0053 5520 MET 669 HE2 -0.0046 0.0012 -0.0047 5521 MET 669 HE3 -0.0048 0.0011 -0.0058 5522 SER 670 N -0.0051 0.0009 -0.0079 5523 SER 670 HN -0.0053 0.0010 -0.0076 5524 SER 670 CA -0.0044 0.0005 -0.0084 5525 SER 670 HA -0.0042 0.0004 -0.0086 5526 SER 670 C -0.0045 0.0004 -0.0092 5527 SER 670 O -0.0048 0.0006 -0.0090 5528 SER 670 CB -0.0037 0.0003 -0.0079 5529 SER 670 HB2 -0.0035 0.0003 -0.0073 5530 SER 670 HB3 -0.0031 0.0000 -0.0083 5531 SER 670 OG -0.0039 0.0004 -0.0076 5532 SER 670 HG -0.0042 0.0005 -0.0081 5533 SER 670 OXT -0.0042 0.0002 -0.0099