1 SER 347 N 0.0246 -0.0125 -0.0358 2 SER 347 H1 0.0262 -0.0111 -0.0364 3 SER 347 H2 0.0212 -0.0131 -0.0336 4 SER 347 H3 0.0255 -0.0159 -0.0378 5 SER 347 CA 0.0261 -0.0084 -0.0353 6 SER 347 HA 0.0296 -0.0084 -0.0378 7 SER 347 C 0.0235 -0.0092 -0.0338 8 SER 347 O 0.0205 -0.0070 -0.0308 9 SER 347 CB 0.0259 -0.0033 -0.0332 10 SER 347 HB2 0.0276 -0.0001 -0.0332 11 SER 347 HB3 0.0224 -0.0029 -0.0306 12 SER 347 OG 0.0279 -0.0028 -0.0345 13 SER 347 HG 0.0268 -0.0002 -0.0326 14 ARG 348 N 0.0247 -0.0125 -0.0359 15 ARG 348 HN 0.0274 -0.0138 -0.0383 16 ARG 348 CA 0.0220 -0.0147 -0.0349 17 ARG 348 HA 0.0190 -0.0168 -0.0335 18 ARG 348 C 0.0206 -0.0109 -0.0324 19 ARG 348 O 0.0167 -0.0114 -0.0298 20 ARG 348 CB 0.0243 -0.0187 -0.0380 21 ARG 348 HB2 0.0253 -0.0210 -0.0397 22 ARG 348 HB3 0.0273 -0.0167 -0.0394 23 ARG 348 CG 0.0213 -0.0224 -0.0373 24 ARG 348 HG2 0.0179 -0.0231 -0.0352 25 ARG 348 HG3 0.0214 -0.0205 -0.0366 26 ARG 348 CD 0.0225 -0.0276 -0.0402 27 ARG 348 HD2 0.0223 -0.0295 -0.0408 28 ARG 348 HD3 0.0201 -0.0300 -0.0395 29 ARG 348 NE 0.0271 -0.0271 -0.0433 30 ARG 348 HE 0.0286 -0.0237 -0.0431 31 ARG 348 CZ 0.0294 -0.0308 -0.0464 32 ARG 348 NH1 0.0278 -0.0356 -0.0470 33 ARG 348 HH11 0.0247 -0.0364 -0.0452 34 ARG 348 HH12 0.0296 -0.0382 -0.0493 35 ARG 348 NH2 0.0336 -0.0298 -0.0489 36 ARG 348 HH21 0.0349 -0.0263 -0.0485 37 ARG 348 HH22 0.0353 -0.0325 -0.0512 38 ALA 349 N 0.0224 -0.0088 -0.0325 39 ALA 349 HN 0.0250 -0.0085 -0.0346 40 ALA 349 CA 0.0217 -0.0054 -0.0303 41 ALA 349 HA 0.0201 -0.0070 -0.0297 42 ALA 349 C 0.0195 -0.0028 -0.0272 43 ALA 349 O 0.0166 -0.0025 -0.0247 44 ALA 349 CB 0.0253 -0.0024 -0.0320 45 ALA 349 HB1 0.0271 -0.0008 -0.0327 46 ALA 349 HB2 0.0268 -0.0043 -0.0341 47 ALA 349 HB3 0.0248 0.0000 -0.0304 48 SER 350 N 0.0209 -0.0007 -0.0274 49 SER 350 HN 0.0233 -0.0008 -0.0295 50 SER 350 CA 0.0191 0.0016 -0.0248 51 SER 350 HA 0.0192 0.0046 -0.0235 52 SER 350 C 0.0151 -0.0007 -0.0225 53 SER 350 O 0.0128 0.0013 -0.0196 54 SER 350 CB 0.0211 0.0028 -0.0259 55 SER 350 HB2 0.0201 0.0054 -0.0239 56 SER 350 HB3 0.0205 -0.0000 -0.0268 57 SER 350 OG 0.0250 0.0043 -0.0285 58 SER 350 HG 0.0260 0.0063 -0.0284 59 LEU 351 N 0.0149 -0.0030 -0.0238 60 LEU 351 HN 0.0169 -0.0043 -0.0262 61 LEU 351 CA 0.0114 -0.0060 -0.0221 62 LEU 351 HA 0.0101 -0.0045 -0.0202 63 LEU 351 C 0.0091 -0.0067 -0.0203 64 LEU 351 O 0.0063 -0.0056 -0.0173 65 LEU 351 CB 0.0116 -0.0105 -0.0243 66 LEU 351 HB2 0.0140 -0.0112 -0.0268 67 LEU 351 HB3 0.0093 -0.0131 -0.0235 68 LEU 351 CG 0.0117 -0.0110 -0.0246 69 LEU 351 HG 0.0120 -0.0142 -0.0265 70 LEU 351 CD1 0.0081 -0.0111 -0.0215 71 LEU 351 HD11 0.0075 -0.0080 -0.0195 72 LEU 351 HD12 0.0059 -0.0137 -0.0208 73 LEU 351 HD13 0.0082 -0.0118 -0.0219 74 LEU 351 CD2 0.0148 -0.0078 -0.0259 75 LEU 351 HD21 0.0147 -0.0044 -0.0242 76 LEU 351 HD22 0.0147 -0.0085 -0.0262 77 LEU 351 HD23 0.0173 -0.0080 -0.0283 78 ARG 352 N 0.0102 -0.0084 -0.0221 79 ARG 352 HN 0.0125 -0.0092 -0.0245 80 ARG 352 CA 0.0085 -0.0089 -0.0207 81 ARG 352 HA 0.0059 -0.0113 -0.0196 82 ARG 352 C 0.0076 -0.0048 -0.0180 83 ARG 352 O 0.0046 -0.0050 -0.0154 84 ARG 352 CB 0.0107 -0.0105 -0.0235 85 ARG 352 HB2 0.0134 -0.0084 -0.0250 86 ARG 352 HB3 0.0096 -0.0102 -0.0224 87 ARG 352 CG 0.0107 -0.0153 -0.0258 88 ARG 352 HG2 0.0115 -0.0158 -0.0267 89 ARG 352 HG3 0.0079 -0.0173 -0.0242 90 ARG 352 CD 0.0132 -0.0166 -0.0287 91 ARG 352 HD2 0.0125 -0.0161 -0.0278 92 ARG 352 HD3 0.0160 -0.0148 -0.0303 93 ARG 352 NE 0.0126 -0.0214 -0.0304 94 ARG 352 HE 0.0106 -0.0229 -0.0293 95 ARG 352 CZ 0.0143 -0.0239 -0.0331 96 ARG 352 NH1 0.0170 -0.0224 -0.0348 97 ARG 352 HH11 0.0176 -0.0193 -0.0339 98 ARG 352 HH12 0.0180 -0.0244 -0.0366 99 ARG 352 NH2 0.0132 -0.0282 -0.0342 100 ARG 352 HH21 0.0111 -0.0294 -0.0328 101 ARG 352 HH22 0.0143 -0.0301 -0.0360 102 ARG 353 N 0.0106 -0.0026 -0.0173 103 ARG 353 HN 0.0124 -0.0026 -0.0188 104 ARG 353 CA 0.0102 0.0006 -0.0158 105 ARG 353 HA 0.0098 0.0006 -0.0154 106 ARG 353 C 0.0080 0.0012 -0.0137 107 ARG 353 O 0.0061 0.0016 -0.0119 108 ARG 353 CB 0.0127 0.0031 -0.0170 109 ARG 353 HB2 0.0143 0.0024 -0.0186 110 ARG 353 HB3 0.0132 0.0033 -0.0174 111 ARG 353 CG 0.0125 0.0064 -0.0157 112 ARG 353 HG2 0.0119 0.0062 -0.0153 113 ARG 353 HG3 0.0109 0.0071 -0.0141 114 ARG 353 CD 0.0148 0.0090 -0.0168 115 ARG 353 HD2 0.0153 0.0095 -0.0170 116 ARG 353 HD3 0.0165 0.0084 -0.0184 117 ARG 353 NE 0.0142 0.0119 -0.0153 118 ARG 353 HE 0.0135 0.0133 -0.0142 119 ARG 353 CZ 0.0143 0.0126 -0.0151 120 ARG 353 NH1 0.0152 0.0108 -0.0165 121 ARG 353 HH11 0.0160 0.0091 -0.0178 122 ARG 353 HH12 0.0153 0.0115 -0.0164 123 ARG 353 NH2 0.0135 0.0150 -0.0135 124 ARG 353 HH21 0.0128 0.0164 -0.0125 125 ARG 353 HH22 0.0135 0.0155 -0.0134 126 HIS 354 N 0.0081 0.0013 -0.0137 127 HIS 354 HN 0.0096 0.0009 -0.0152 128 HIS 354 CA 0.0061 0.0017 -0.0119 129 HIS 354 HA 0.0058 0.0040 -0.0108 130 HIS 354 C 0.0035 -0.0005 -0.0104 131 HIS 354 O 0.0017 0.0007 -0.0085 132 HIS 354 CB 0.0068 0.0013 -0.0126 133 HIS 354 HB2 0.0050 0.0005 -0.0114 134 HIS 354 HB3 0.0079 -0.0005 -0.0142 135 HIS 354 CG 0.0082 0.0043 -0.0128 136 HIS 354 ND1 0.0070 0.0061 -0.0111 137 HIS 354 HD1 0.0051 0.0058 -0.0096 138 HIS 354 CD2 0.0107 0.0055 -0.0145 139 HIS 354 HD2 0.0122 0.0047 -0.0161 140 HIS 354 CE1 0.0087 0.0084 -0.0117 141 HIS 354 HE1 0.0083 0.0103 -0.0107 142 HIS 354 NE2 0.0109 0.0081 -0.0138 143 HIS 354 HE2 0.0125 0.0095 -0.0146 144 TYR 355 N 0.0038 -0.0027 -0.0117 145 TYR 355 HN 0.0049 -0.0032 -0.0131 146 TYR 355 CA 0.0017 -0.0044 -0.0111 147 TYR 355 HA 0.0009 -0.0042 -0.0103 148 TYR 355 C 0.0003 -0.0040 -0.0098 149 TYR 355 O -0.0014 -0.0039 -0.0082 150 TYR 355 CB 0.0016 -0.0068 -0.0129 151 TYR 355 HB2 0.0031 -0.0069 -0.0141 152 TYR 355 HB3 0.0003 -0.0079 -0.0125 153 TYR 355 CG 0.0014 -0.0077 -0.0133 154 TYR 355 CD1 0.0031 -0.0075 -0.0146 155 TYR 355 HD1 0.0047 -0.0067 -0.0154 156 TYR 355 CD2 -0.0006 -0.0087 -0.0123 157 TYR 355 HD2 -0.0020 -0.0089 -0.0113 158 TYR 355 CE1 0.0029 -0.0082 -0.0150 159 TYR 355 HE1 0.0042 -0.0080 -0.0159 160 TYR 355 CE2 -0.0009 -0.0095 -0.0127 161 TYR 355 HE2 -0.0024 -0.0103 -0.0119 162 TYR 355 CZ 0.0009 -0.0092 -0.0140 163 TYR 355 OH 0.0007 -0.0098 -0.0142 164 TYR 355 HH -0.0006 -0.0111 -0.0140 165 SER 356 N 0.0012 -0.0038 -0.0103 166 SER 356 HN 0.0026 -0.0038 -0.0116 167 SER 356 CA 0.0002 -0.0033 -0.0091 168 SER 356 HA -0.0013 -0.0046 -0.0088 169 SER 356 C -0.0003 -0.0012 -0.0072 170 SER 356 O -0.0021 -0.0013 -0.0057 171 SER 356 CB 0.0014 -0.0033 -0.0101 172 SER 356 HB2 0.0014 -0.0050 -0.0113 173 SER 356 HB3 0.0006 -0.0029 -0.0091 174 SER 356 OG 0.0035 -0.0018 -0.0108 175 SER 356 HG 0.0042 -0.0024 -0.0119 176 VAL 357 N 0.0009 0.0013 -0.0066 177 VAL 357 HN 0.0020 0.0014 -0.0077 178 VAL 357 CA 0.0006 0.0031 -0.0052 179 VAL 357 HA 0.0000 0.0032 -0.0046 180 VAL 357 C -0.0007 0.0031 -0.0040 181 VAL 357 O -0.0018 0.0037 -0.0026 182 VAL 357 CB 0.0022 0.0049 -0.0056 183 VAL 357 HB 0.0030 0.0047 -0.0066 184 VAL 357 CG1 0.0018 0.0068 -0.0042 185 VAL 357 HG11 0.0010 0.0071 -0.0032 186 VAL 357 HG12 0.0030 0.0080 -0.0045 187 VAL 357 HG13 0.0013 0.0066 -0.0037 188 VAL 357 CG2 0.0031 0.0053 -0.0064 189 VAL 357 HG21 0.0024 0.0056 -0.0054 190 VAL 357 HG22 0.0033 0.0040 -0.0074 191 VAL 357 HG23 0.0043 0.0065 -0.0068 192 ARG 358 N -0.0007 0.0023 -0.0045 193 ARG 358 HN 0.0002 0.0019 -0.0056 194 ARG 358 CA -0.0020 0.0020 -0.0034 195 ARG 358 HA -0.0021 0.0034 -0.0024 196 ARG 358 C -0.0037 0.0007 -0.0025 197 ARG 358 O -0.0049 0.0012 -0.0011 198 ARG 358 CB -0.0016 0.0015 -0.0041 199 ARG 358 HB2 -0.0025 0.0016 -0.0031 200 ARG 358 HB3 -0.0004 0.0026 -0.0045 201 ARG 358 CG -0.0014 -0.0005 -0.0055 202 ARG 358 HG2 -0.0027 -0.0016 -0.0050 203 ARG 358 HG3 -0.0006 -0.0006 -0.0064 204 ARG 358 CD -0.0009 -0.0010 -0.0063 205 ARG 358 HD2 -0.0017 -0.0008 -0.0054 206 ARG 358 HD3 -0.0011 -0.0026 -0.0071 207 ARG 358 NE 0.0008 0.0001 -0.0073 208 ARG 358 HE 0.0014 0.0014 -0.0070 209 ARG 358 CZ 0.0017 -0.0003 -0.0085 210 ARG 358 NH1 0.0012 -0.0021 -0.0091 211 ARG 358 HH11 0.0003 -0.0031 -0.0088 212 ARG 358 HH12 0.0020 -0.0025 -0.0101 213 ARG 358 NH2 0.0031 0.0010 -0.0090 214 ARG 358 HH21 0.0033 0.0024 -0.0083 215 ARG 358 HH22 0.0037 0.0006 -0.0099 216 HIS 359 N -0.0025 -0.0002 -0.0040 217 HIS 359 HN -0.0018 -0.0004 -0.0047 218 HIS 359 CA -0.0036 -0.0008 -0.0037 219 HIS 359 HA -0.0043 -0.0012 -0.0034 220 HIS 359 C -0.0041 -0.0000 -0.0027 221 HIS 359 O -0.0051 -0.0002 -0.0020 222 HIS 359 CB -0.0034 -0.0019 -0.0046 223 HIS 359 HB2 -0.0026 -0.0016 -0.0050 224 HIS 359 HB3 -0.0034 -0.0026 -0.0051 225 HIS 359 CG -0.0044 -0.0025 -0.0043 226 HIS 359 ND1 -0.0048 -0.0038 -0.0048 227 HIS 359 HD1 -0.0047 -0.0044 -0.0054 228 HIS 359 CD2 -0.0047 -0.0020 -0.0037 229 HIS 359 HD2 -0.0045 -0.0011 -0.0032 230 HIS 359 CE1 -0.0055 -0.0040 -0.0046 231 HIS 359 HE1 -0.0059 -0.0050 -0.0049 232 HIS 359 NE2 -0.0054 -0.0030 -0.0039 233 HIS 359 HE2 -0.0058 -0.0029 -0.0035 234 LEU 360 N -0.0033 0.0008 -0.0027 235 LEU 360 HN -0.0024 0.0008 -0.0034 236 LEU 360 CA -0.0036 0.0016 -0.0018 237 LEU 360 HA -0.0044 0.0011 -0.0016 238 LEU 360 C -0.0039 0.0026 -0.0009 239 LEU 360 O -0.0049 0.0027 -0.0001 240 LEU 360 CB -0.0027 0.0022 -0.0021 241 LEU 360 HB2 -0.0032 0.0024 -0.0016 242 LEU 360 HB3 -0.0025 0.0014 -0.0029 243 LEU 360 CG -0.0016 0.0033 -0.0022 244 LEU 360 HG -0.0012 0.0033 -0.0025 245 LEU 360 CD1 -0.0018 0.0046 -0.0011 246 LEU 360 HD11 -0.0021 0.0047 -0.0008 247 LEU 360 HD12 -0.0024 0.0046 -0.0005 248 LEU 360 HD13 -0.0009 0.0053 -0.0012 249 LEU 360 CD2 -0.0006 0.0033 -0.0029 250 LEU 360 HD21 -0.0009 0.0034 -0.0027 251 LEU 360 HD22 0.0003 0.0041 -0.0030 252 LEU 360 HD23 -0.0004 0.0025 -0.0037 253 ALA 361 N -0.0029 0.0033 -0.0003 254 ALA 361 HN -0.0026 0.0034 -0.0009 255 ALA 361 CA -0.0030 0.0041 0.0004 256 ALA 361 HA -0.0030 0.0043 0.0006 257 ALA 361 C -0.0034 0.0037 0.0011 258 ALA 361 O -0.0037 0.0039 0.0019 259 ALA 361 CB -0.0026 0.0048 0.0000 260 ALA 361 HB1 -0.0025 0.0046 -0.0002 261 ALA 361 HB2 -0.0022 0.0051 -0.0005 262 ALA 361 HB3 -0.0026 0.0054 0.0005 263 ALA 362 N -0.0036 0.0032 0.0010 264 ALA 362 HN -0.0033 0.0030 0.0004 265 ALA 362 CA -0.0040 0.0027 0.0016 266 ALA 362 HA -0.0040 0.0032 0.0021 267 ALA 362 C -0.0044 0.0022 0.0022 268 ALA 362 O -0.0048 0.0023 0.0030 269 ALA 362 CB -0.0040 0.0020 0.0012 270 ALA 362 HB1 -0.0040 0.0015 0.0007 271 ALA 362 HB2 -0.0038 0.0024 0.0009 272 ALA 362 HB3 -0.0044 0.0017 0.0017 273 ARG 363 N -0.0044 0.0025 0.0016 274 ARG 363 HN -0.0041 0.0024 0.0011 275 ARG 363 CA -0.0048 0.0023 0.0019 276 ARG 363 HA -0.0051 0.0020 0.0022 277 ARG 363 C -0.0047 0.0029 0.0024 278 ARG 363 O -0.0051 0.0028 0.0030 279 ARG 363 CB -0.0048 0.0018 0.0015 280 ARG 363 HB2 -0.0044 0.0020 0.0011 281 ARG 363 HB3 -0.0050 0.0018 0.0018 282 ARG 363 CG -0.0050 0.0011 0.0012 283 ARG 363 HG2 -0.0050 0.0008 0.0009 284 ARG 363 HG3 -0.0048 0.0011 0.0008 285 ARG 363 CD -0.0056 0.0007 0.0017 286 ARG 363 HD2 -0.0057 0.0007 0.0018 287 ARG 363 HD3 -0.0058 0.0010 0.0022 288 ARG 363 NE -0.0059 -0.0000 0.0015 289 ARG 363 HE -0.0058 -0.0003 0.0010 290 ARG 363 CZ -0.0062 -0.0003 0.0017 291 ARG 363 NH1 -0.0064 0.0000 0.0023 292 ARG 363 HH11 -0.0063 0.0005 0.0026 293 ARG 363 HH12 -0.0067 -0.0002 0.0025 294 ARG 363 NH2 -0.0064 -0.0009 0.0014 295 ARG 363 HH21 -0.0063 -0.0011 0.0009 296 ARG 363 HH22 -0.0066 -0.0011 0.0016 297 GLU 364 N -0.0043 0.0034 0.0022 298 GLU 364 HN -0.0040 0.0034 0.0018 299 GLU 364 CA -0.0042 0.0040 0.0027 300 GLU 364 HA -0.0044 0.0038 0.0029 301 GLU 364 C -0.0043 0.0044 0.0033 302 GLU 364 O -0.0045 0.0046 0.0038 303 GLU 364 CB -0.0036 0.0045 0.0023 304 GLU 364 HB2 -0.0035 0.0041 0.0018 305 GLU 364 HB3 -0.0034 0.0047 0.0020 306 GLU 364 CG -0.0035 0.0050 0.0026 307 GLU 364 HG2 -0.0038 0.0048 0.0030 308 GLU 364 HG3 -0.0035 0.0054 0.0030 309 GLU 364 CD -0.0030 0.0054 0.0022 310 GLU 364 OE1 -0.0026 0.0056 0.0018 311 GLU 364 OE2 -0.0031 0.0054 0.0023 312 LEU 365 N -0.0040 0.0045 0.0038 313 LEU 365 HN -0.0040 0.0045 0.0036 314 LEU 365 CA -0.0041 0.0046 0.0042 315 LEU 365 HA -0.0041 0.0048 0.0043 316 LEU 365 C -0.0042 0.0043 0.0045 317 LEU 365 O -0.0043 0.0043 0.0048 318 LEU 365 CB -0.0041 0.0048 0.0042 319 LEU 365 HB2 -0.0040 0.0051 0.0040 320 LEU 365 HB3 -0.0041 0.0046 0.0042 321 LEU 365 CG -0.0042 0.0051 0.0046 322 LEU 365 HG -0.0042 0.0049 0.0048 323 LEU 365 CD1 -0.0041 0.0054 0.0047 324 LEU 365 HD11 -0.0041 0.0056 0.0045 325 LEU 365 HD12 -0.0042 0.0053 0.0047 326 LEU 365 HD13 -0.0042 0.0056 0.0050 327 LEU 365 CD2 -0.0042 0.0052 0.0046 328 LEU 365 HD21 -0.0041 0.0054 0.0044 329 LEU 365 HD22 -0.0042 0.0053 0.0049 330 LEU 365 HD23 -0.0042 0.0050 0.0046 331 LEU 366 N -0.0042 0.0040 0.0044 332 LEU 366 HN -0.0042 0.0040 0.0042 333 LEU 366 CA -0.0043 0.0036 0.0047 334 LEU 366 HA -0.0044 0.0038 0.0049 335 LEU 366 C -0.0044 0.0034 0.0048 336 LEU 366 O -0.0045 0.0034 0.0052 337 LEU 366 CB -0.0043 0.0033 0.0045 338 LEU 366 HB2 -0.0043 0.0035 0.0044 339 LEU 366 HB3 -0.0043 0.0032 0.0043 340 LEU 366 CG -0.0044 0.0030 0.0048 341 LEU 366 HG -0.0045 0.0029 0.0050 342 LEU 366 CD1 -0.0045 0.0032 0.0050 343 LEU 366 HD11 -0.0044 0.0033 0.0048 344 LEU 366 HD12 -0.0045 0.0034 0.0052 345 LEU 366 HD13 -0.0045 0.0029 0.0052 346 LEU 366 CD2 -0.0044 0.0026 0.0046 347 LEU 366 HD21 -0.0044 0.0027 0.0043 348 LEU 366 HD22 -0.0045 0.0024 0.0048 349 LEU 366 HD23 -0.0044 0.0025 0.0044 350 ASP 367 N -0.0047 0.0038 0.0049 351 ASP 367 HN -0.0046 0.0039 0.0045 352 ASP 367 CA -0.0050 0.0035 0.0052 353 ASP 367 HA -0.0052 0.0033 0.0055 354 ASP 367 C -0.0048 0.0038 0.0057 355 ASP 367 O -0.0051 0.0036 0.0061 356 ASP 367 CB -0.0051 0.0031 0.0047 357 ASP 367 HB2 -0.0053 0.0029 0.0049 358 ASP 367 HB3 -0.0049 0.0034 0.0044 359 ASP 367 CG -0.0053 0.0027 0.0044 360 ASP 367 OD1 -0.0056 0.0024 0.0047 361 ASP 367 OD2 -0.0053 0.0027 0.0038 362 THR 368 N -0.0045 0.0044 0.0057 363 THR 368 HN -0.0043 0.0046 0.0054 364 THR 368 CA -0.0043 0.0047 0.0062 365 THR 368 HA -0.0045 0.0045 0.0064 366 THR 368 C -0.0044 0.0048 0.0068 367 THR 368 O -0.0045 0.0048 0.0073 368 THR 368 CB -0.0040 0.0053 0.0060 369 THR 368 HB -0.0039 0.0055 0.0065 370 THR 368 OG1 -0.0037 0.0056 0.0057 371 THR 368 HG1 -0.0037 0.0054 0.0052 372 THR 368 CG2 -0.0040 0.0052 0.0057 373 THR 368 HG21 -0.0040 0.0049 0.0052 374 THR 368 HG22 -0.0041 0.0050 0.0059 375 THR 368 HG23 -0.0037 0.0055 0.0055 376 GLU 369 N -0.0030 0.0053 0.0064 377 GLU 369 HN -0.0029 0.0052 0.0061 378 GLU 369 CA -0.0033 0.0053 0.0068 379 GLU 369 HA -0.0032 0.0056 0.0070 380 GLU 369 C -0.0037 0.0050 0.0070 381 GLU 369 O -0.0039 0.0052 0.0074 382 GLU 369 CB -0.0033 0.0051 0.0065 383 GLU 369 HB2 -0.0030 0.0053 0.0064 384 GLU 369 HB3 -0.0033 0.0048 0.0062 385 GLU 369 CG -0.0035 0.0051 0.0068 386 GLU 369 HG2 -0.0038 0.0048 0.0070 387 GLU 369 HG3 -0.0035 0.0049 0.0066 388 GLU 369 CD -0.0034 0.0054 0.0072 389 GLU 369 OE1 -0.0031 0.0058 0.0072 390 GLU 369 OE2 -0.0037 0.0054 0.0075 391 LYS 370 N -0.0039 0.0046 0.0068 392 LYS 370 HN -0.0037 0.0045 0.0064 393 LYS 370 CA -0.0043 0.0043 0.0070 394 LYS 370 HA -0.0045 0.0042 0.0071 395 LYS 370 C -0.0044 0.0045 0.0073 396 LYS 370 O -0.0046 0.0045 0.0077 397 LYS 370 CB -0.0043 0.0039 0.0066 398 LYS 370 HB2 -0.0041 0.0040 0.0064 399 LYS 370 HB3 -0.0046 0.0037 0.0068 400 LYS 370 CG -0.0043 0.0036 0.0062 401 LYS 370 HG2 -0.0045 0.0035 0.0064 402 LYS 370 HG3 -0.0040 0.0038 0.0061 403 LYS 370 CD -0.0044 0.0033 0.0059 404 LYS 370 HD2 -0.0047 0.0031 0.0060 405 LYS 370 HD3 -0.0042 0.0034 0.0057 406 LYS 370 CE -0.0043 0.0030 0.0055 407 LYS 370 HE2 -0.0041 0.0032 0.0053 408 LYS 370 HE3 -0.0046 0.0028 0.0056 409 LYS 370 NZ -0.0043 0.0027 0.0051 410 LYS 370 HZ1 -0.0041 0.0029 0.0050 411 LYS 370 HZ2 -0.0043 0.0025 0.0049 412 LYS 370 HZ3 -0.0046 0.0025 0.0053 413 SER 371 N -0.0039 0.0064 0.0077 414 SER 371 HN -0.0040 0.0064 0.0078 415 SER 371 CA -0.0039 0.0063 0.0079 416 SER 371 HA -0.0040 0.0064 0.0078 417 SER 371 C -0.0038 0.0061 0.0078 418 SER 371 O -0.0038 0.0060 0.0078 419 SER 371 CB -0.0041 0.0062 0.0081 420 SER 371 HB2 -0.0042 0.0064 0.0081 421 SER 371 HB3 -0.0041 0.0061 0.0082 422 SER 371 OG -0.0041 0.0061 0.0081 423 SER 371 HG -0.0041 0.0063 0.0081 424 PHE 372 N -0.0037 0.0059 0.0078 425 PHE 372 HN -0.0037 0.0060 0.0078 426 PHE 372 CA -0.0035 0.0058 0.0077 427 PHE 372 HA -0.0035 0.0057 0.0078 428 PHE 372 C -0.0034 0.0059 0.0075 429 PHE 372 O -0.0033 0.0058 0.0075 430 PHE 372 CB -0.0034 0.0057 0.0077 431 PHE 372 HB2 -0.0034 0.0056 0.0078 432 PHE 372 HB3 -0.0034 0.0058 0.0076 433 PHE 372 CG -0.0032 0.0056 0.0075 434 PHE 372 CD1 -0.0031 0.0056 0.0074 435 PHE 372 HD1 -0.0032 0.0058 0.0073 436 PHE 372 CD2 -0.0031 0.0054 0.0075 437 PHE 372 HD2 -0.0032 0.0053 0.0077 438 PHE 372 CE1 -0.0029 0.0055 0.0072 439 PHE 372 HE1 -0.0028 0.0056 0.0071 440 PHE 372 CE2 -0.0029 0.0053 0.0074 441 PHE 372 HE2 -0.0028 0.0052 0.0074 442 PHE 372 CZ -0.0028 0.0054 0.0072 443 PHE 372 HZ -0.0027 0.0053 0.0071 444 VAL 373 N -0.0023 0.0062 0.0074 445 VAL 373 HN -0.0022 0.0061 0.0078 446 VAL 373 CA -0.0022 0.0064 0.0070 447 VAL 373 HA -0.0024 0.0061 0.0067 448 VAL 373 C -0.0020 0.0069 0.0067 449 VAL 373 O -0.0020 0.0069 0.0062 450 VAL 373 CB -0.0022 0.0063 0.0072 451 VAL 373 HB -0.0020 0.0065 0.0076 452 VAL 373 CG1 -0.0021 0.0066 0.0068 453 VAL 373 HG11 -0.0023 0.0064 0.0064 454 VAL 373 HG12 -0.0019 0.0070 0.0067 455 VAL 373 HG13 -0.0021 0.0065 0.0070 456 VAL 373 CG2 -0.0025 0.0058 0.0074 457 VAL 373 HG21 -0.0027 0.0056 0.0070 458 VAL 373 HG22 -0.0024 0.0058 0.0076 459 VAL 373 HG23 -0.0025 0.0056 0.0077 460 GLU 374 N -0.0017 0.0072 0.0071 461 GLU 374 HN -0.0017 0.0071 0.0075 462 GLU 374 CA -0.0015 0.0077 0.0069 463 GLU 374 HA -0.0014 0.0079 0.0067 464 GLU 374 C -0.0015 0.0077 0.0066 465 GLU 374 O -0.0015 0.0079 0.0061 466 GLU 374 CB -0.0012 0.0079 0.0075 467 GLU 374 HB2 -0.0012 0.0079 0.0078 468 GLU 374 HB3 -0.0013 0.0077 0.0077 469 GLU 374 CG -0.0009 0.0085 0.0075 470 GLU 374 HG2 -0.0008 0.0087 0.0073 471 GLU 374 HG3 -0.0010 0.0085 0.0072 472 GLU 374 CD -0.0007 0.0086 0.0080 473 GLU 374 OE1 -0.0008 0.0084 0.0083 474 GLU 374 OE2 -0.0005 0.0089 0.0082 475 GLY 375 N -0.0015 0.0081 0.0078 476 GLY 375 HN -0.0018 0.0081 0.0083 477 GLY 375 CA -0.0016 0.0075 0.0075 478 GLY 375 HA2 -0.0015 0.0077 0.0075 479 GLY 375 HA3 -0.0019 0.0071 0.0078 480 GLY 375 C -0.0013 0.0072 0.0067 481 GLY 375 O -0.0011 0.0072 0.0063 482 LEU 376 N -0.0013 0.0070 0.0066 483 LEU 376 HN -0.0015 0.0071 0.0070 484 LEU 376 CA -0.0011 0.0068 0.0059 485 LEU 376 HA -0.0012 0.0064 0.0056 486 LEU 376 C -0.0006 0.0074 0.0054 487 LEU 376 O -0.0004 0.0073 0.0048 488 LEU 376 CB -0.0012 0.0066 0.0059 489 LEU 376 HB2 -0.0011 0.0070 0.0062 490 LEU 376 HB3 -0.0010 0.0064 0.0053 491 LEU 376 CG -0.0016 0.0059 0.0062 492 LEU 376 HG -0.0019 0.0060 0.0068 493 LEU 376 CD1 -0.0017 0.0058 0.0062 494 LEU 376 HD11 -0.0014 0.0057 0.0056 495 LEU 376 HD12 -0.0016 0.0062 0.0065 496 LEU 376 HD13 -0.0020 0.0053 0.0064 497 LEU 376 CD2 -0.0018 0.0052 0.0059 498 LEU 376 HD21 -0.0015 0.0051 0.0053 499 LEU 376 HD22 -0.0021 0.0047 0.0061 500 LEU 376 HD23 -0.0018 0.0053 0.0060 501 GLU 377 N 0.0003 0.0079 0.0053 502 GLU 377 HN 0.0003 0.0077 0.0060 503 GLU 377 CA 0.0006 0.0090 0.0047 504 GLU 377 HA 0.0005 0.0087 0.0039 505 GLU 377 C 0.0009 0.0097 0.0044 506 GLU 377 O 0.0010 0.0102 0.0035 507 GLU 377 CB 0.0009 0.0095 0.0055 508 GLU 377 HB2 0.0007 0.0089 0.0057 509 GLU 377 HB3 0.0010 0.0098 0.0063 510 GLU 377 CG 0.0012 0.0105 0.0049 511 GLU 377 HG2 0.0010 0.0102 0.0041 512 GLU 377 HG3 0.0014 0.0112 0.0047 513 GLU 377 CD 0.0014 0.0110 0.0057 514 GLU 377 OE1 0.0012 0.0104 0.0059 515 GLU 377 OE2 0.0017 0.0119 0.0061 516 PHE 378 N 0.0010 0.0099 0.0053 517 PHE 378 HN 0.0009 0.0096 0.0061 518 PHE 378 CA 0.0011 0.0104 0.0052 519 PHE 378 HA 0.0014 0.0113 0.0048 520 PHE 378 C 0.0009 0.0099 0.0043 521 PHE 378 O 0.0011 0.0105 0.0035 522 PHE 378 CB 0.0013 0.0106 0.0064 523 PHE 378 HB2 0.0014 0.0107 0.0071 524 PHE 378 HB3 0.0010 0.0098 0.0066 525 PHE 378 CG 0.0016 0.0116 0.0063 526 PHE 378 CD1 0.0015 0.0115 0.0058 527 PHE 378 HD1 0.0013 0.0107 0.0055 528 PHE 378 CD2 0.0020 0.0126 0.0068 529 PHE 378 HD2 0.0020 0.0127 0.0072 530 PHE 378 CE1 0.0018 0.0124 0.0058 531 PHE 378 HE1 0.0018 0.0123 0.0054 532 PHE 378 CE2 0.0023 0.0135 0.0067 533 PHE 378 HE2 0.0025 0.0143 0.0071 534 PHE 378 CZ 0.0022 0.0134 0.0063 535 PHE 378 HZ 0.0024 0.0141 0.0062 536 LEU 379 N 0.0011 0.0088 0.0047 537 LEU 379 HN 0.0007 0.0086 0.0055 538 LEU 379 CA 0.0009 0.0078 0.0039 539 LEU 379 HA 0.0009 0.0077 0.0037 540 LEU 379 C 0.0014 0.0079 0.0028 541 LEU 379 O 0.0017 0.0079 0.0020 542 LEU 379 CB 0.0002 0.0069 0.0043 543 LEU 379 HB2 -0.0002 0.0068 0.0050 544 LEU 379 HB3 0.0002 0.0070 0.0046 545 LEU 379 CG -0.0001 0.0058 0.0035 546 LEU 379 HG 0.0003 0.0060 0.0028 547 LEU 379 CD1 -0.0001 0.0054 0.0029 548 LEU 379 HD11 -0.0006 0.0050 0.0035 549 LEU 379 HD12 0.0003 0.0060 0.0028 550 LEU 379 HD13 -0.0001 0.0048 0.0022 551 LEU 379 CD2 -0.0008 0.0050 0.0040 552 LEU 379 HD21 -0.0012 0.0048 0.0047 553 LEU 379 HD22 -0.0009 0.0043 0.0034 554 LEU 379 HD23 -0.0007 0.0053 0.0043 555 VAL 380 N 0.0016 0.0081 0.0027 556 VAL 380 HN 0.0013 0.0082 0.0034 557 VAL 380 CA 0.0020 0.0083 0.0017 558 VAL 380 HA 0.0019 0.0075 0.0012 559 VAL 380 C 0.0028 0.0091 0.0012 560 VAL 380 O 0.0031 0.0089 0.0002 561 VAL 380 CB 0.0020 0.0083 0.0018 562 VAL 380 HB 0.0024 0.0083 0.0010 563 VAL 380 CG1 0.0023 0.0093 0.0026 564 VAL 380 HG11 0.0020 0.0094 0.0034 565 VAL 380 HG12 0.0023 0.0093 0.0026 566 VAL 380 HG13 0.0028 0.0100 0.0023 567 VAL 380 CG2 0.0013 0.0073 0.0022 568 VAL 380 HG21 0.0010 0.0073 0.0030 569 VAL 380 HG22 0.0011 0.0066 0.0016 570 VAL 380 HG23 0.0014 0.0073 0.0021 571 THR 381 N 0.0036 0.0107 0.0009 572 THR 381 HN 0.0034 0.0107 0.0018 573 THR 381 CA 0.0042 0.0119 0.0005 574 THR 381 HA 0.0046 0.0120 -0.0004 575 THR 381 C 0.0043 0.0119 0.0003 576 THR 381 O 0.0048 0.0125 -0.0006 577 THR 381 CB 0.0045 0.0131 0.0014 578 THR 381 HB 0.0049 0.0139 0.0010 579 THR 381 OG1 0.0040 0.0130 0.0027 580 THR 381 HG1 0.0037 0.0126 0.0031 581 THR 381 CG2 0.0046 0.0133 0.0013 582 THR 381 HG21 0.0042 0.0125 0.0016 583 THR 381 HG22 0.0049 0.0134 0.0003 584 THR 381 HG23 0.0048 0.0142 0.0019 585 LYS 382 N 0.0038 0.0113 0.0011 586 LYS 382 HN 0.0034 0.0109 0.0018 587 LYS 382 CA 0.0038 0.0113 0.0010 588 LYS 382 HA 0.0043 0.0120 0.0004 589 LYS 382 C 0.0036 0.0101 0.0001 590 LYS 382 O 0.0039 0.0103 -0.0007 591 LYS 382 CB 0.0035 0.0114 0.0023 592 LYS 382 HB2 0.0032 0.0114 0.0031 593 LYS 382 HB3 0.0032 0.0107 0.0023 594 LYS 382 CG 0.0040 0.0127 0.0024 595 LYS 382 HG2 0.0037 0.0125 0.0031 596 LYS 382 HG3 0.0043 0.0128 0.0015 597 LYS 382 CD 0.0043 0.0139 0.0030 598 LYS 382 HD2 0.0048 0.0147 0.0026 599 LYS 382 HD3 0.0041 0.0140 0.0040 600 LYS 382 CE 0.0045 0.0141 0.0028 601 LYS 382 HE2 0.0047 0.0138 0.0017 602 LYS 382 HE3 0.0048 0.0151 0.0030 603 LYS 382 NZ 0.0039 0.0134 0.0036 604 LYS 382 HZ1 0.0036 0.0125 0.0035 605 LYS 382 HZ2 0.0040 0.0134 0.0033 606 LYS 382 HZ3 0.0038 0.0138 0.0046 607 TYR 383 N 0.0034 0.0088 0.0007 608 TYR 383 HN 0.0031 0.0089 0.0014 609 TYR 383 CA 0.0032 0.0076 -0.0000 610 TYR 383 HA 0.0035 0.0075 -0.0005 611 TYR 383 C 0.0037 0.0072 -0.0011 612 TYR 383 O 0.0040 0.0068 -0.0021 613 TYR 383 CB 0.0022 0.0065 0.0007 614 TYR 383 HB2 0.0019 0.0067 0.0013 615 TYR 383 HB3 0.0021 0.0056 0.0000 616 TYR 383 CG 0.0018 0.0066 0.0013 617 TYR 383 CD1 0.0021 0.0063 0.0007 618 TYR 383 HD1 0.0026 0.0061 -0.0003 619 TYR 383 CD2 0.0012 0.0068 0.0026 620 TYR 383 HD2 0.0010 0.0070 0.0031 621 TYR 383 CE1 0.0017 0.0063 0.0013 622 TYR 383 HE1 0.0019 0.0061 0.0008 623 TYR 383 CE2 0.0008 0.0067 0.0032 624 TYR 383 HE2 0.0003 0.0068 0.0041 625 TYR 383 CZ 0.0011 0.0065 0.0025 626 TYR 383 OH 0.0007 0.0064 0.0031 627 TYR 383 HH 0.0003 0.0067 0.0039 628 MET 384 N 0.0036 0.0074 -0.0009 629 MET 384 HN 0.0034 0.0078 -0.0000 630 MET 384 CA 0.0040 0.0071 -0.0018 631 MET 384 HA 0.0037 0.0061 -0.0022 632 MET 384 C 0.0050 0.0077 -0.0028 633 MET 384 O 0.0053 0.0071 -0.0038 634 MET 384 CB 0.0037 0.0070 -0.0013 635 MET 384 HB2 0.0039 0.0080 -0.0008 636 MET 384 HB3 0.0030 0.0065 -0.0006 637 MET 384 CG 0.0040 0.0065 -0.0022 638 MET 384 HG2 0.0046 0.0073 -0.0026 639 MET 384 HG3 0.0036 0.0063 -0.0017 640 MET 384 SD 0.0040 0.0052 -0.0035 641 MET 384 CE 0.0029 0.0041 -0.0027 642 MET 384 HE1 0.0028 0.0032 -0.0033 643 MET 384 HE2 0.0024 0.0040 -0.0020 644 MET 384 HE3 0.0028 0.0043 -0.0024 645 ARG 385 N 0.0060 0.0090 -0.0030 646 ARG 385 HN 0.0057 0.0095 -0.0019 647 ARG 385 CA 0.0072 0.0100 -0.0040 648 ARG 385 HA 0.0075 0.0098 -0.0046 649 ARG 385 C 0.0076 0.0095 -0.0052 650 ARG 385 O 0.0082 0.0093 -0.0065 651 ARG 385 CB 0.0077 0.0117 -0.0032 652 ARG 385 HB2 0.0074 0.0119 -0.0025 653 ARG 385 HB3 0.0074 0.0119 -0.0024 654 ARG 385 CG 0.0089 0.0128 -0.0042 655 ARG 385 HG2 0.0092 0.0126 -0.0048 656 ARG 385 HG3 0.0092 0.0124 -0.0051 657 ARG 385 CD 0.0095 0.0144 -0.0035 658 ARG 385 HD2 0.0093 0.0146 -0.0030 659 ARG 385 HD3 0.0093 0.0149 -0.0027 660 ARG 385 NE 0.0106 0.0152 -0.0048 661 ARG 385 HE 0.0110 0.0154 -0.0051 662 ARG 385 CZ 0.0112 0.0152 -0.0058 663 ARG 385 NH1 0.0110 0.0150 -0.0055 664 ARG 385 HH11 0.0104 0.0150 -0.0045 665 ARG 385 HH12 0.0115 0.0152 -0.0063 666 ARG 385 NH2 0.0121 0.0155 -0.0071 667 ARG 385 HH21 0.0123 0.0155 -0.0074 668 ARG 385 HH22 0.0126 0.0155 -0.0078 669 PRO 386 N 0.0073 0.0093 -0.0049 670 PRO 386 CA 0.0075 0.0087 -0.0060 671 PRO 386 HA 0.0084 0.0095 -0.0066 672 PRO 386 C 0.0074 0.0072 -0.0072 673 PRO 386 O 0.0080 0.0071 -0.0084 674 PRO 386 CB 0.0070 0.0086 -0.0051 675 PRO 386 HB2 0.0061 0.0076 -0.0047 676 PRO 386 HB3 0.0074 0.0086 -0.0058 677 PRO 386 CG 0.0070 0.0100 -0.0038 678 PRO 386 HG2 0.0079 0.0110 -0.0042 679 PRO 386 HG3 0.0065 0.0099 -0.0028 680 PRO 386 CD 0.0069 0.0100 -0.0035 681 PRO 386 HD2 0.0073 0.0112 -0.0030 682 PRO 386 HD3 0.0060 0.0093 -0.0026 683 LEU 387 N 0.0074 0.0066 -0.0063 684 LEU 387 HN 0.0070 0.0068 -0.0055 685 LEU 387 CA 0.0075 0.0054 -0.0073 686 LEU 387 HA 0.0077 0.0050 -0.0079 687 LEU 387 C 0.0083 0.0058 -0.0083 688 LEU 387 O 0.0087 0.0051 -0.0094 689 LEU 387 CB 0.0065 0.0043 -0.0068 690 LEU 387 HB2 0.0062 0.0047 -0.0061 691 LEU 387 HB3 0.0067 0.0035 -0.0077 692 LEU 387 CG 0.0056 0.0034 -0.0062 693 LEU 387 HG 0.0050 0.0026 -0.0060 694 LEU 387 CD1 0.0058 0.0026 -0.0072 695 LEU 387 HD11 0.0064 0.0033 -0.0074 696 LEU 387 HD12 0.0061 0.0020 -0.0081 697 LEU 387 HD13 0.0051 0.0018 -0.0068 698 LEU 387 CD2 0.0051 0.0041 -0.0049 699 LEU 387 HD21 0.0056 0.0049 -0.0050 700 LEU 387 HD22 0.0044 0.0034 -0.0045 701 LEU 387 HD23 0.0049 0.0047 -0.0042 702 ARG 388 N 0.0087 0.0070 -0.0078 703 ARG 388 HN 0.0084 0.0076 -0.0069 704 ARG 388 CA 0.0094 0.0074 -0.0085 705 ARG 388 HA 0.0094 0.0065 -0.0092 706 ARG 388 C 0.0105 0.0084 -0.0093 707 ARG 388 O 0.0112 0.0082 -0.0104 708 ARG 388 CB 0.0091 0.0080 -0.0076 709 ARG 388 HB2 0.0083 0.0074 -0.0069 710 ARG 388 HB3 0.0093 0.0091 -0.0070 711 ARG 388 CG 0.0096 0.0080 -0.0083 712 ARG 388 HG2 0.0094 0.0069 -0.0089 713 ARG 388 HG3 0.0104 0.0086 -0.0091 714 ARG 388 CD 0.0093 0.0086 -0.0075 715 ARG 388 HD2 0.0097 0.0097 -0.0071 716 ARG 388 HD3 0.0085 0.0081 -0.0067 717 ARG 388 NE 0.0097 0.0082 -0.0083 718 ARG 388 HE 0.0104 0.0089 -0.0088 719 ARG 388 CZ 0.0092 0.0070 -0.0086 720 ARG 388 NH1 0.0083 0.0060 -0.0081 721 ARG 388 HH11 0.0080 0.0061 -0.0075 722 ARG 388 HH12 0.0080 0.0051 -0.0083 723 ARG 388 NH2 0.0097 0.0068 -0.0094 724 ARG 388 HH21 0.0104 0.0075 -0.0098 725 ARG 388 HH22 0.0094 0.0059 -0.0097 726 GLN 389 N 0.0107 0.0096 -0.0094 727 GLN 389 HN 0.0102 0.0097 -0.0084 728 GLN 389 CA 0.0120 0.0109 -0.0100 729 GLN 389 HA 0.0125 0.0107 -0.0111 730 GLN 389 C 0.0127 0.0113 -0.0107 731 GLN 389 O 0.0138 0.0119 -0.0118 732 GLN 389 CB 0.0123 0.0124 -0.0088 733 GLN 389 HB2 0.0116 0.0120 -0.0082 734 GLN 389 HB3 0.0120 0.0130 -0.0078 735 GLN 389 CG 0.0136 0.0137 -0.0095 736 GLN 389 HG2 0.0138 0.0132 -0.0105 737 GLN 389 HG3 0.0143 0.0142 -0.0101 738 GLN 389 CD 0.0137 0.0151 -0.0082 739 GLN 389 OE1 0.0135 0.0159 -0.0070 740 GLN 389 NE2 0.0142 0.0155 -0.0085 741 GLN 389 HE21 0.0143 0.0164 -0.0077 742 GLN 389 HE22 0.0143 0.0148 -0.0095 743 PRO 390 N 0.0121 0.0111 -0.0100 744 PRO 390 CA 0.0126 0.0112 -0.0107 745 PRO 390 HA 0.0135 0.0124 -0.0109 746 PRO 390 C 0.0129 0.0100 -0.0124 747 PRO 390 O 0.0128 0.0092 -0.0132 748 PRO 390 CB 0.0117 0.0111 -0.0093 749 PRO 390 HB2 0.0109 0.0098 -0.0095 750 PRO 390 HB3 0.0122 0.0118 -0.0094 751 PRO 390 CG 0.0112 0.0118 -0.0078 752 PRO 390 HG2 0.0120 0.0132 -0.0075 753 PRO 390 HG3 0.0104 0.0116 -0.0067 754 PRO 390 CD 0.0111 0.0112 -0.0082 755 PRO 390 HD2 0.0111 0.0120 -0.0075 756 PRO 390 HD3 0.0102 0.0100 -0.0082 757 LEU 391 N 0.0137 0.0107 -0.0136 758 LEU 391 HN 0.0134 0.0113 -0.0127 759 LEU 391 CA 0.0142 0.0100 -0.0151 760 LEU 391 HA 0.0147 0.0097 -0.0161 761 LEU 391 C 0.0133 0.0082 -0.0150 762 LEU 391 O 0.0134 0.0069 -0.0162 763 LEU 391 CB 0.0150 0.0113 -0.0154 764 LEU 391 HB2 0.0144 0.0115 -0.0143 765 LEU 391 HB3 0.0153 0.0106 -0.0165 766 LEU 391 CG 0.0160 0.0131 -0.0158 767 LEU 391 HG 0.0165 0.0128 -0.0168 768 LEU 391 CD1 0.0158 0.0144 -0.0143 769 LEU 391 HD11 0.0152 0.0146 -0.0132 770 LEU 391 HD12 0.0154 0.0139 -0.0139 771 LEU 391 HD13 0.0166 0.0157 -0.0146 772 LEU 391 CD2 0.0168 0.0140 -0.0165 773 LEU 391 HD21 0.0164 0.0143 -0.0155 774 LEU 391 HD22 0.0176 0.0152 -0.0169 775 LEU 391 HD23 0.0171 0.0131 -0.0176 776 GLU 392 N 0.0124 0.0080 -0.0135 777 GLU 392 HN 0.0123 0.0091 -0.0125 778 GLU 392 CA 0.0114 0.0065 -0.0131 779 GLU 392 HA 0.0118 0.0063 -0.0139 780 GLU 392 C 0.0108 0.0048 -0.0134 781 GLU 392 O 0.0102 0.0045 -0.0125 782 GLU 392 CB 0.0105 0.0070 -0.0112 783 GLU 392 HB2 0.0098 0.0057 -0.0109 784 GLU 392 HB3 0.0109 0.0078 -0.0112 785 GLU 392 CG 0.0102 0.0079 -0.0099 786 GLU 392 HG2 0.0093 0.0075 -0.0087 787 GLU 392 HG3 0.0103 0.0076 -0.0103 788 GLU 392 CD 0.0109 0.0099 -0.0096 789 GLU 392 OE1 0.0105 0.0107 -0.0081 790 GLU 392 OE2 0.0120 0.0107 -0.0107 791 CYS 393 N 0.0125 0.0039 -0.0136 792 CYS 393 HN 0.0130 0.0040 -0.0142 793 CYS 393 CA 0.0121 0.0025 -0.0141 794 CYS 393 HA 0.0118 0.0028 -0.0135 795 CYS 393 C 0.0111 0.0011 -0.0139 796 CYS 393 O 0.0112 0.0007 -0.0143 797 CYS 393 CB 0.0132 0.0022 -0.0157 798 CYS 393 HB2 0.0129 0.0011 -0.0161 799 CYS 393 HB3 0.0137 0.0021 -0.0163 800 CYS 393 SG 0.0144 0.0037 -0.0160 801 CYS 393 HG 0.0145 0.0049 -0.0154 802 THR 394 N 0.0102 0.0002 -0.0134 803 THR 394 HN 0.0101 0.0005 -0.0131 804 THR 394 CA 0.0092 -0.0014 -0.0133 805 THR 394 HA 0.0095 -0.0018 -0.0140 806 THR 394 C 0.0090 -0.0025 -0.0139 807 THR 394 O 0.0087 -0.0022 -0.0133 808 THR 394 CB 0.0080 -0.0013 -0.0118 809 THR 394 HB 0.0078 -0.0005 -0.0110 810 THR 394 OG1 0.0082 -0.0008 -0.0117 811 THR 394 HG1 0.0075 -0.0006 -0.0107 812 THR 394 CG2 0.0069 -0.0029 -0.0116 813 THR 394 HG21 0.0070 -0.0038 -0.0124 814 THR 394 HG22 0.0066 -0.0034 -0.0116 815 THR 394 HG23 0.0061 -0.0028 -0.0105 816 LEU 395 N 0.0095 -0.0035 -0.0151 817 LEU 395 HN 0.0098 -0.0038 -0.0156 818 LEU 395 CA 0.0096 -0.0046 -0.0160 819 LEU 395 HA 0.0106 -0.0039 -0.0166 820 LEU 395 C 0.0085 -0.0051 -0.0152 821 LEU 395 O 0.0088 -0.0044 -0.0151 822 LEU 395 CB 0.0096 -0.0062 -0.0174 823 LEU 395 HB2 0.0086 -0.0069 -0.0169 824 LEU 395 HB3 0.0096 -0.0069 -0.0180 825 LEU 395 CG 0.0109 -0.0059 -0.0186 826 LEU 395 HG 0.0109 -0.0052 -0.0180 827 LEU 395 CD1 0.0107 -0.0075 -0.0197 828 LEU 395 HD11 0.0108 -0.0083 -0.0204 829 LEU 395 HD12 0.0097 -0.0082 -0.0191 830 LEU 395 HD13 0.0116 -0.0073 -0.0205 831 LEU 395 CD2 0.0124 -0.0049 -0.0194 832 LEU 395 HD21 0.0125 -0.0056 -0.0200 833 LEU 395 HD22 0.0132 -0.0048 -0.0202 834 LEU 395 HD23 0.0125 -0.0037 -0.0186 835 ILE 396 N 0.0071 -0.0063 -0.0147 836 ILE 396 HN 0.0069 -0.0068 -0.0149 837 ILE 396 CA 0.0060 -0.0071 -0.0141 838 ILE 396 HA 0.0063 -0.0077 -0.0150 839 ILE 396 C 0.0057 -0.0059 -0.0129 840 ILE 396 O 0.0055 -0.0061 -0.0128 841 ILE 396 CB 0.0046 -0.0084 -0.0136 842 ILE 396 HB 0.0041 -0.0077 -0.0126 843 ILE 396 CG1 0.0047 -0.0095 -0.0148 844 ILE 396 HG12 0.0054 -0.0088 -0.0149 845 ILE 396 HG13 0.0037 -0.0104 -0.0143 846 ILE 396 CG2 0.0034 -0.0094 -0.0132 847 ILE 396 HG21 0.0038 -0.0101 -0.0142 848 ILE 396 HG22 0.0031 -0.0086 -0.0122 849 ILE 396 HG23 0.0024 -0.0103 -0.0129 850 ILE 396 CD1 0.0054 -0.0106 -0.0164 851 ILE 396 HD11 0.0065 -0.0098 -0.0169 852 ILE 396 HD12 0.0048 -0.0114 -0.0163 853 ILE 396 HD13 0.0055 -0.0114 -0.0171 854 GLU 397 N 0.0056 -0.0045 -0.0114 855 GLU 397 HN 0.0058 -0.0042 -0.0115 856 GLU 397 CA 0.0055 -0.0034 -0.0102 857 GLU 397 HA 0.0048 -0.0039 -0.0099 858 GLU 397 C 0.0066 -0.0021 -0.0105 859 GLU 397 O 0.0065 -0.0012 -0.0095 860 GLU 397 CB 0.0049 -0.0028 -0.0089 861 GLU 397 HB2 0.0053 -0.0026 -0.0093 862 GLU 397 HB3 0.0051 -0.0017 -0.0081 863 GLU 397 CG 0.0034 -0.0038 -0.0079 864 GLU 397 HG2 0.0031 -0.0035 -0.0073 865 GLU 397 HG3 0.0031 -0.0050 -0.0087 866 GLU 397 CD 0.0028 -0.0036 -0.0069 867 GLU 397 OE1 0.0026 -0.0043 -0.0073 868 GLU 397 OE2 0.0024 -0.0027 -0.0056 869 ALA 398 N 0.0078 -0.0019 -0.0118 870 ALA 398 HN 0.0078 -0.0026 -0.0126 871 ALA 398 CA 0.0090 -0.0008 -0.0123 872 ALA 398 HA 0.0091 0.0003 -0.0115 873 ALA 398 C 0.0088 -0.0009 -0.0122 874 ALA 398 O 0.0082 -0.0022 -0.0126 875 ALA 398 CB 0.0101 -0.0009 -0.0138 876 ALA 398 HB1 0.0099 -0.0020 -0.0147 877 ALA 398 HB2 0.0102 -0.0008 -0.0138 878 ALA 398 HB3 0.0110 0.0000 -0.0141 879 SER 399 N 0.0089 0.0002 -0.0112 880 SER 399 HN 0.0093 0.0011 -0.0109 881 SER 399 CA 0.0088 0.0004 -0.0109 882 SER 399 HA 0.0093 0.0014 -0.0106 883 SER 399 C 0.0075 -0.0000 -0.0098 884 SER 399 O 0.0074 0.0006 -0.0091 885 SER 399 CB 0.0093 -0.0003 -0.0121 886 SER 399 HB2 0.0087 -0.0014 -0.0124 887 SER 399 HB3 0.0102 0.0000 -0.0129 888 SER 399 OG 0.0094 0.0002 -0.0118 889 SER 399 HG 0.0087 0.0001 -0.0110 890 LEU 400 N 0.0066 -0.0011 -0.0096 891 LEU 400 HN 0.0067 -0.0016 -0.0103 892 LEU 400 CA 0.0053 -0.0016 -0.0087 893 LEU 400 HA 0.0053 -0.0018 -0.0087 894 LEU 400 C 0.0049 -0.0006 -0.0073 895 LEU 400 O 0.0039 -0.0010 -0.0064 896 LEU 400 CB 0.0046 -0.0030 -0.0090 897 LEU 400 HB2 0.0051 -0.0031 -0.0096 898 LEU 400 HB3 0.0038 -0.0030 -0.0081 899 LEU 400 CG 0.0041 -0.0043 -0.0096 900 LEU 400 HG 0.0049 -0.0043 -0.0105 901 LEU 400 CD1 0.0035 -0.0056 -0.0099 902 LEU 400 HD11 0.0027 -0.0056 -0.0091 903 LEU 400 HD12 0.0041 -0.0056 -0.0106 904 LEU 400 HD13 0.0032 -0.0065 -0.0104 905 LEU 400 CD2 0.0033 -0.0044 -0.0087 906 LEU 400 HD21 0.0026 -0.0043 -0.0078 907 LEU 400 HD22 0.0030 -0.0053 -0.0092 908 LEU 400 HD23 0.0038 -0.0035 -0.0085 909 VAL 401 N 0.0050 0.0005 -0.0072 910 VAL 401 HN 0.0058 0.0007 -0.0079 911 VAL 401 CA 0.0049 0.0016 -0.0059 912 VAL 401 HA 0.0046 0.0015 -0.0056 913 VAL 401 C 0.0040 0.0016 -0.0047 914 VAL 401 O 0.0035 0.0021 -0.0035 915 VAL 401 CB 0.0061 0.0030 -0.0059 916 VAL 401 HB 0.0059 0.0038 -0.0048 917 VAL 401 CG1 0.0068 0.0033 -0.0064 918 VAL 401 HG11 0.0070 0.0026 -0.0074 919 VAL 401 HG12 0.0076 0.0043 -0.0063 920 VAL 401 HG13 0.0062 0.0033 -0.0056 921 VAL 401 CG2 0.0070 0.0032 -0.0068 922 VAL 401 HG21 0.0073 0.0026 -0.0079 923 VAL 401 HG22 0.0065 0.0030 -0.0064 924 VAL 401 HG23 0.0078 0.0043 -0.0066 925 ASP 402 N 0.0037 0.0009 -0.0051 926 ASP 402 HN 0.0042 0.0005 -0.0061 927 ASP 402 CA 0.0028 0.0007 -0.0042 928 ASP 402 HA 0.0029 0.0017 -0.0033 929 ASP 402 C 0.0014 -0.0005 -0.0038 930 ASP 402 O 0.0014 0.0002 -0.0031 931 ASP 402 CB 0.0032 0.0005 -0.0050 932 ASP 402 HB2 0.0031 -0.0005 -0.0059 933 ASP 402 HB3 0.0042 0.0013 -0.0053 934 ASP 402 CG 0.0025 0.0005 -0.0040 935 ASP 402 OD1 0.0026 0.0016 -0.0030 936 ASP 402 OD2 0.0019 -0.0005 -0.0043 937 LYS 403 N 0.0015 -0.0007 -0.0024 938 LYS 403 HN 0.0013 -0.0005 -0.0020 939 LYS 403 CA 0.0005 -0.0017 -0.0022 940 LYS 403 HA 0.0008 -0.0021 -0.0029 941 LYS 403 C -0.0001 -0.0011 -0.0010 942 LYS 403 O -0.0003 -0.0013 -0.0009 943 LYS 403 CB -0.0002 -0.0027 -0.0023 944 LYS 403 HB2 -0.0006 -0.0024 -0.0016 945 LYS 403 HB3 -0.0009 -0.0035 -0.0022 946 LYS 403 CG 0.0003 -0.0034 -0.0034 947 LYS 403 HG2 -0.0004 -0.0042 -0.0033 948 LYS 403 HG3 0.0008 -0.0037 -0.0041 949 LYS 403 CD 0.0011 -0.0026 -0.0035 950 LYS 403 HD2 0.0007 -0.0021 -0.0027 951 LYS 403 HD3 0.0019 -0.0019 -0.0038 952 LYS 403 CE 0.0013 -0.0033 -0.0044 953 LYS 403 HE2 0.0016 -0.0039 -0.0052 954 LYS 403 HE3 0.0006 -0.0040 -0.0041 955 LYS 403 NZ 0.0021 -0.0026 -0.0046 956 LYS 403 HZ1 0.0028 -0.0020 -0.0049 957 LYS 403 HZ2 0.0023 -0.0031 -0.0053 958 LYS 403 HZ3 0.0019 -0.0021 -0.0039 959 ILE 404 N -0.0004 -0.0005 -0.0002 960 ILE 404 HN -0.0002 -0.0004 -0.0003 961 ILE 404 CA -0.0010 0.0002 0.0010 962 ILE 404 HA -0.0015 -0.0002 0.0012 963 ILE 404 C -0.0002 0.0015 0.0013 964 ILE 404 O 0.0006 0.0021 0.0010 965 ILE 404 CB -0.0017 0.0002 0.0018 966 ILE 404 HB -0.0022 0.0006 0.0027 967 ILE 404 CG1 -0.0012 0.0009 0.0019 968 ILE 404 HG12 -0.0007 0.0019 0.0023 969 ILE 404 HG13 -0.0018 0.0008 0.0025 970 ILE 404 CG2 -0.0026 -0.0011 0.0017 971 ILE 404 HG21 -0.0022 -0.0016 0.0009 972 ILE 404 HG22 -0.0030 -0.0016 0.0017 973 ILE 404 HG23 -0.0032 -0.0011 0.0024 974 ILE 404 CD1 -0.0004 0.0006 0.0008 975 ILE 404 HD11 0.0004 0.0009 0.0002 976 ILE 404 HD12 -0.0008 -0.0004 0.0004 977 ILE 404 HD13 -0.0002 0.0011 0.0010 978 PHE 405 N -0.0011 0.0017 0.0015 979 PHE 405 HN -0.0016 0.0013 0.0018 980 PHE 405 CA -0.0005 0.0026 0.0016 981 PHE 405 HA 0.0001 0.0026 0.0010 982 PHE 405 C -0.0004 0.0035 0.0022 983 PHE 405 O -0.0002 0.0041 0.0026 984 PHE 405 CB -0.0006 0.0025 0.0017 985 PHE 405 HB2 -0.0012 0.0024 0.0022 986 PHE 405 HB3 -0.0002 0.0032 0.0018 987 PHE 405 CG -0.0005 0.0018 0.0009 988 PHE 405 CD1 -0.0011 0.0010 0.0009 989 PHE 405 HD1 -0.0017 0.0009 0.0015 990 PHE 405 CD2 0.0003 0.0019 0.0001 991 PHE 405 HD2 0.0008 0.0025 0.0001 992 PHE 405 CE1 -0.0009 0.0003 0.0001 993 PHE 405 HE1 -0.0014 -0.0004 0.0001 994 PHE 405 CE2 0.0005 0.0012 -0.0007 995 PHE 405 HE2 0.0011 0.0013 -0.0013 996 PHE 405 CZ -0.0002 0.0004 -0.0006 997 PHE 405 HZ -0.0001 -0.0001 -0.0012 998 TYR 406 N -0.0004 0.0036 0.0024 999 TYR 406 HN -0.0005 0.0030 0.0020 1000 TYR 406 CA -0.0003 0.0044 0.0030 1001 TYR 406 HA -0.0009 0.0043 0.0036 1002 TYR 406 C 0.0002 0.0053 0.0032 1003 TYR 406 O -0.0000 0.0059 0.0040 1004 TYR 406 CB -0.0001 0.0043 0.0027 1005 TYR 406 HB2 -0.0000 0.0050 0.0031 1006 TYR 406 HB3 -0.0007 0.0038 0.0028 1007 TYR 406 CG 0.0006 0.0042 0.0018 1008 TYR 406 CD1 0.0013 0.0049 0.0015 1009 TYR 406 HD1 0.0015 0.0055 0.0019 1010 TYR 406 CD2 0.0004 0.0033 0.0012 1011 TYR 406 HD2 -0.0002 0.0027 0.0014 1012 TYR 406 CE1 0.0020 0.0046 0.0006 1013 TYR 406 HE1 0.0026 0.0052 0.0004 1014 TYR 406 CE2 0.0010 0.0031 0.0003 1015 TYR 406 HE2 0.0009 0.0024 -0.0002 1016 TYR 406 CZ 0.0018 0.0037 0.0000 1017 TYR 406 OH 0.0024 0.0035 -0.0009 1018 TYR 406 HH 0.0022 0.0029 -0.0012 1019 ARG 407 N 0.0002 0.0046 0.0027 1020 ARG 407 HN 0.0002 0.0044 0.0023 1021 ARG 407 CA 0.0006 0.0050 0.0030 1022 ARG 407 HA 0.0009 0.0053 0.0032 1023 ARG 407 C 0.0003 0.0051 0.0035 1024 ARG 407 O 0.0005 0.0055 0.0040 1025 ARG 407 CB 0.0010 0.0051 0.0024 1026 ARG 407 HB2 0.0013 0.0055 0.0026 1027 ARG 407 HB3 0.0013 0.0051 0.0020 1028 ARG 407 CG 0.0008 0.0047 0.0020 1029 ARG 407 HG2 0.0005 0.0047 0.0024 1030 ARG 407 HG3 0.0005 0.0043 0.0018 1031 ARG 407 CD 0.0012 0.0048 0.0015 1032 ARG 407 HD2 0.0010 0.0045 0.0012 1033 ARG 407 HD3 0.0015 0.0049 0.0011 1034 ARG 407 NE 0.0015 0.0052 0.0018 1035 ARG 407 HE 0.0018 0.0055 0.0019 1036 ARG 407 CZ 0.0014 0.0052 0.0019 1037 ARG 407 NH1 0.0010 0.0048 0.0018 1038 ARG 407 HH11 0.0008 0.0045 0.0015 1039 ARG 407 HH12 0.0010 0.0048 0.0018 1040 ARG 407 NH2 0.0018 0.0056 0.0022 1041 ARG 407 HH21 0.0020 0.0059 0.0024 1042 ARG 407 HH22 0.0017 0.0056 0.0023 1043 ILE 408 N -0.0002 0.0046 0.0035 1044 ILE 408 HN -0.0004 0.0043 0.0032 1045 ILE 408 CA -0.0005 0.0046 0.0039 1046 ILE 408 HA -0.0001 0.0049 0.0040 1047 ILE 408 C -0.0008 0.0047 0.0046 1048 ILE 408 O -0.0007 0.0050 0.0051 1049 ILE 408 CB -0.0008 0.0042 0.0036 1050 ILE 408 HB -0.0006 0.0041 0.0031 1051 ILE 408 CG1 -0.0008 0.0043 0.0038 1052 ILE 408 HG12 -0.0011 0.0039 0.0037 1053 ILE 408 HG13 -0.0009 0.0044 0.0044 1054 ILE 408 CG2 -0.0014 0.0037 0.0037 1055 ILE 408 HG21 -0.0017 0.0037 0.0042 1056 ILE 408 HG22 -0.0014 0.0036 0.0034 1057 ILE 408 HG23 -0.0016 0.0034 0.0034 1058 ILE 408 CD1 -0.0002 0.0046 0.0036 1059 ILE 408 HD11 -0.0001 0.0045 0.0030 1060 ILE 408 HD12 0.0001 0.0050 0.0038 1061 ILE 408 HD13 -0.0003 0.0047 0.0038 1062 PRO 409 N -0.0015 0.0046 0.0049 1063 PRO 409 CA -0.0017 0.0048 0.0054 1064 PRO 409 HA -0.0018 0.0047 0.0055 1065 PRO 409 C -0.0014 0.0052 0.0055 1066 PRO 409 O -0.0015 0.0054 0.0058 1067 PRO 409 CB -0.0019 0.0045 0.0055 1068 PRO 409 HB2 -0.0019 0.0047 0.0057 1069 PRO 409 HB3 -0.0021 0.0043 0.0056 1070 PRO 409 CG -0.0018 0.0043 0.0051 1071 PRO 409 HG2 -0.0020 0.0040 0.0051 1072 PRO 409 HG3 -0.0016 0.0045 0.0050 1073 PRO 409 CD -0.0016 0.0043 0.0047 1074 PRO 409 HD2 -0.0018 0.0040 0.0046 1075 PRO 409 HD3 -0.0015 0.0044 0.0044 1076 GLU 410 N -0.0012 0.0054 0.0052 1077 GLU 410 HN -0.0012 0.0052 0.0050 1078 GLU 410 CA -0.0010 0.0059 0.0053 1079 GLU 410 HA -0.0010 0.0059 0.0056 1080 GLU 410 C -0.0008 0.0061 0.0053 1081 GLU 410 O -0.0008 0.0063 0.0057 1082 GLU 410 CB -0.0007 0.0060 0.0049 1083 GLU 410 HB2 -0.0008 0.0057 0.0048 1084 GLU 410 HB3 -0.0006 0.0060 0.0046 1085 GLU 410 CG -0.0005 0.0063 0.0051 1086 GLU 410 HG2 -0.0004 0.0064 0.0048 1087 GLU 410 HG3 -0.0007 0.0063 0.0053 1088 GLU 410 CD -0.0004 0.0067 0.0053 1089 GLU 410 OE1 -0.0002 0.0069 0.0051 1090 GLU 410 OE2 -0.0005 0.0069 0.0057 1091 ILE 411 N -0.0006 0.0054 0.0053 1092 ILE 411 HN -0.0006 0.0052 0.0051 1093 ILE 411 CA -0.0004 0.0057 0.0054 1094 ILE 411 HA -0.0002 0.0059 0.0055 1095 ILE 411 C -0.0007 0.0057 0.0058 1096 ILE 411 O -0.0005 0.0060 0.0060 1097 ILE 411 CB -0.0002 0.0056 0.0051 1098 ILE 411 HB -0.0000 0.0055 0.0049 1099 ILE 411 CG1 0.0001 0.0059 0.0052 1100 ILE 411 HG12 -0.0000 0.0060 0.0054 1101 ILE 411 HG13 0.0003 0.0061 0.0053 1102 ILE 411 CG2 -0.0004 0.0053 0.0050 1103 ILE 411 HG21 -0.0005 0.0053 0.0052 1104 ILE 411 HG22 -0.0006 0.0051 0.0050 1105 ILE 411 HG23 -0.0002 0.0052 0.0048 1106 ILE 411 CD1 0.0004 0.0059 0.0049 1107 ILE 411 HD11 0.0003 0.0057 0.0048 1108 ILE 411 HD12 0.0006 0.0058 0.0047 1109 ILE 411 HD13 0.0006 0.0061 0.0050 1110 LEU 412 N -0.0010 0.0055 0.0059 1111 LEU 412 HN -0.0011 0.0053 0.0057 1112 LEU 412 CA -0.0013 0.0056 0.0062 1113 LEU 412 HA -0.0012 0.0057 0.0062 1114 LEU 412 C -0.0014 0.0057 0.0065 1115 LEU 412 O -0.0014 0.0060 0.0068 1116 LEU 412 CB -0.0016 0.0052 0.0061 1117 LEU 412 HB2 -0.0015 0.0050 0.0058 1118 LEU 412 HB3 -0.0018 0.0051 0.0062 1119 LEU 412 CG -0.0018 0.0052 0.0063 1120 LEU 412 HG -0.0019 0.0054 0.0066 1121 LEU 412 CD1 -0.0016 0.0053 0.0061 1122 LEU 412 HD11 -0.0015 0.0051 0.0059 1123 LEU 412 HD12 -0.0013 0.0055 0.0062 1124 LEU 412 HD13 -0.0017 0.0053 0.0063 1125 LEU 412 CD2 -0.0022 0.0049 0.0063 1126 LEU 412 HD21 -0.0022 0.0047 0.0060 1127 LEU 412 HD22 -0.0023 0.0049 0.0064 1128 LEU 412 HD23 -0.0024 0.0049 0.0065 1129 ALA 413 N -0.0025 0.0052 0.0064 1130 ALA 413 HN -0.0025 0.0052 0.0062 1131 ALA 413 CA -0.0023 0.0053 0.0066 1132 ALA 413 HA -0.0025 0.0052 0.0068 1133 ALA 413 C -0.0021 0.0055 0.0068 1134 ALA 413 O -0.0020 0.0055 0.0071 1135 ALA 413 CB -0.0023 0.0053 0.0065 1136 ALA 413 HB1 -0.0022 0.0054 0.0063 1137 ALA 413 HB2 -0.0025 0.0051 0.0064 1138 ALA 413 HB3 -0.0022 0.0053 0.0067 1139 HIS 414 N -0.0019 0.0056 0.0065 1140 HIS 414 HN -0.0019 0.0056 0.0063 1141 HIS 414 CA -0.0016 0.0058 0.0066 1142 HIS 414 HA -0.0015 0.0059 0.0067 1143 HIS 414 C -0.0016 0.0058 0.0067 1144 HIS 414 O -0.0014 0.0060 0.0068 1145 HIS 414 CB -0.0015 0.0059 0.0062 1146 HIS 414 HB2 -0.0016 0.0058 0.0061 1147 HIS 414 HB3 -0.0016 0.0059 0.0061 1148 HIS 414 CG -0.0012 0.0061 0.0061 1149 HIS 414 ND1 -0.0011 0.0062 0.0058 1150 HIS 414 HD1 -0.0013 0.0061 0.0056 1151 HIS 414 CD2 -0.0010 0.0063 0.0063 1152 HIS 414 HD2 -0.0010 0.0063 0.0065 1153 HIS 414 CE1 -0.0009 0.0064 0.0058 1154 HIS 414 HE1 -0.0008 0.0065 0.0055 1155 HIS 414 NE2 -0.0008 0.0064 0.0060 1156 HIS 414 HE2 -0.0006 0.0065 0.0060 1157 HIS 415 N -0.0016 0.0054 0.0067 1158 HIS 415 HN -0.0017 0.0053 0.0067 1159 HIS 415 CA -0.0015 0.0055 0.0068 1160 HIS 415 HA -0.0014 0.0056 0.0069 1161 HIS 415 C -0.0017 0.0055 0.0070 1162 HIS 415 O -0.0016 0.0057 0.0071 1163 HIS 415 CB -0.0014 0.0055 0.0067 1164 HIS 415 HB2 -0.0013 0.0056 0.0068 1165 HIS 415 HB3 -0.0015 0.0053 0.0066 1166 HIS 415 CG -0.0012 0.0054 0.0065 1167 HIS 415 ND1 -0.0011 0.0054 0.0064 1168 HIS 415 HD1 -0.0011 0.0053 0.0064 1169 HIS 415 CD2 -0.0011 0.0055 0.0065 1170 HIS 415 HD2 -0.0011 0.0055 0.0066 1171 HIS 415 CE1 -0.0009 0.0054 0.0063 1172 HIS 415 HE1 -0.0008 0.0053 0.0061 1173 HIS 415 NE2 -0.0009 0.0054 0.0063 1174 HIS 415 HE2 -0.0008 0.0054 0.0063 1175 GLN 416 N -0.0019 0.0054 0.0070 1176 GLN 416 HN -0.0019 0.0053 0.0069 1177 GLN 416 CA -0.0020 0.0054 0.0072 1178 GLN 416 HA -0.0019 0.0056 0.0073 1179 GLN 416 C -0.0022 0.0054 0.0073 1180 GLN 416 O -0.0022 0.0056 0.0074 1181 GLN 416 CB -0.0021 0.0054 0.0071 1182 GLN 416 HB2 -0.0022 0.0054 0.0073 1183 GLN 416 HB3 -0.0020 0.0054 0.0071 1184 GLN 416 CG -0.0022 0.0052 0.0070 1185 GLN 416 HG2 -0.0024 0.0051 0.0070 1186 GLN 416 HG3 -0.0021 0.0051 0.0068 1187 GLN 416 CD -0.0023 0.0051 0.0069 1188 GLN 416 OE1 -0.0025 0.0050 0.0069 1189 GLN 416 NE2 -0.0022 0.0051 0.0069 1190 GLN 416 HE21 -0.0022 0.0051 0.0069 1191 GLN 416 HE22 -0.0020 0.0052 0.0069 1192 VAL 417 N -0.0030 0.0052 0.0071 1193 VAL 417 HN -0.0030 0.0052 0.0072 1194 VAL 417 CA -0.0031 0.0053 0.0069 1195 VAL 417 HA -0.0031 0.0054 0.0069 1196 VAL 417 C -0.0032 0.0052 0.0068 1197 VAL 417 O -0.0033 0.0052 0.0067 1198 VAL 417 CB -0.0031 0.0053 0.0069 1199 VAL 417 HB -0.0032 0.0051 0.0069 1200 VAL 417 CG1 -0.0030 0.0053 0.0071 1201 VAL 417 HG11 -0.0030 0.0055 0.0071 1202 VAL 417 HG12 -0.0031 0.0053 0.0070 1203 VAL 417 HG13 -0.0030 0.0053 0.0072 1204 VAL 417 CG2 -0.0032 0.0053 0.0068 1205 VAL 417 HG21 -0.0032 0.0055 0.0067 1206 VAL 417 HG22 -0.0033 0.0053 0.0067 1207 VAL 417 HG23 -0.0032 0.0053 0.0068 1208 LEU 418 N -0.0032 0.0050 0.0068 1209 LEU 418 HN -0.0032 0.0049 0.0069 1210 LEU 418 CA -0.0033 0.0048 0.0067 1211 LEU 418 HA -0.0034 0.0049 0.0066 1212 LEU 418 C -0.0033 0.0049 0.0067 1213 LEU 418 O -0.0034 0.0049 0.0065 1214 LEU 418 CB -0.0033 0.0047 0.0068 1215 LEU 418 HB2 -0.0033 0.0046 0.0068 1216 LEU 418 HB3 -0.0032 0.0046 0.0069 1217 LEU 418 CG -0.0034 0.0045 0.0067 1218 LEU 418 HG -0.0034 0.0045 0.0067 1219 LEU 418 CD1 -0.0035 0.0045 0.0065 1220 LEU 418 HD11 -0.0035 0.0045 0.0065 1221 LEU 418 HD12 -0.0035 0.0046 0.0065 1222 LEU 418 HD13 -0.0035 0.0044 0.0065 1223 LEU 418 CD2 -0.0034 0.0043 0.0068 1224 LEU 418 HD21 -0.0034 0.0043 0.0068 1225 LEU 418 HD22 -0.0034 0.0042 0.0067 1226 LEU 418 HD23 -0.0033 0.0043 0.0069 1227 LEU 419 N -0.0032 0.0041 0.0065 1228 LEU 419 HN -0.0032 0.0041 0.0065 1229 LEU 419 CA -0.0031 0.0041 0.0067 1230 LEU 419 HA -0.0030 0.0040 0.0066 1231 LEU 419 C -0.0033 0.0042 0.0068 1232 LEU 419 O -0.0032 0.0042 0.0068 1233 LEU 419 CB -0.0031 0.0041 0.0069 1234 LEU 419 HB2 -0.0032 0.0042 0.0069 1235 LEU 419 HB3 -0.0031 0.0041 0.0070 1236 LEU 419 CG -0.0029 0.0039 0.0068 1237 LEU 419 HG -0.0029 0.0040 0.0070 1238 LEU 419 CD1 -0.0027 0.0038 0.0069 1239 LEU 419 HD11 -0.0027 0.0038 0.0067 1240 LEU 419 HD12 -0.0027 0.0039 0.0070 1241 LEU 419 HD13 -0.0026 0.0037 0.0069 1242 LEU 419 CD2 -0.0029 0.0039 0.0066 1243 LEU 419 HD21 -0.0029 0.0039 0.0065 1244 LEU 419 HD22 -0.0028 0.0038 0.0067 1245 LEU 419 HD23 -0.0030 0.0040 0.0066 1246 THR 420 N -0.0034 0.0043 0.0067 1247 THR 420 HN -0.0035 0.0043 0.0067 1248 THR 420 CA -0.0036 0.0044 0.0068 1249 THR 420 HA -0.0036 0.0044 0.0069 1250 THR 420 C -0.0036 0.0044 0.0066 1251 THR 420 O -0.0036 0.0044 0.0067 1252 THR 420 CB -0.0038 0.0046 0.0068 1253 THR 420 HB -0.0038 0.0046 0.0066 1254 THR 420 OG1 -0.0038 0.0046 0.0069 1255 THR 420 HG1 -0.0039 0.0046 0.0068 1256 THR 420 CG2 -0.0039 0.0047 0.0068 1257 THR 420 HG21 -0.0039 0.0047 0.0070 1258 THR 420 HG22 -0.0039 0.0047 0.0067 1259 THR 420 HG23 -0.0040 0.0048 0.0068 1260 THR 421 N -0.0041 0.0042 0.0057 1261 THR 421 HN -0.0041 0.0043 0.0059 1262 THR 421 CA -0.0040 0.0041 0.0054 1263 THR 421 HA -0.0039 0.0043 0.0052 1264 THR 421 C -0.0041 0.0038 0.0052 1265 THR 421 O -0.0040 0.0037 0.0049 1266 THR 421 CB -0.0039 0.0043 0.0055 1267 THR 421 HB -0.0041 0.0041 0.0056 1268 THR 421 OG1 -0.0039 0.0046 0.0057 1269 THR 421 HG1 -0.0038 0.0048 0.0056 1270 THR 421 CG2 -0.0038 0.0044 0.0051 1271 THR 421 HG21 -0.0037 0.0045 0.0050 1272 THR 421 HG22 -0.0038 0.0041 0.0050 1273 THR 421 HG23 -0.0038 0.0045 0.0052 1274 LEU 422 N -0.0042 0.0035 0.0054 1275 LEU 422 HN -0.0043 0.0035 0.0056 1276 LEU 422 CA -0.0043 0.0031 0.0052 1277 LEU 422 HA -0.0043 0.0031 0.0050 1278 LEU 422 C -0.0043 0.0030 0.0050 1279 LEU 422 O -0.0043 0.0028 0.0047 1280 LEU 422 CB -0.0046 0.0028 0.0055 1281 LEU 422 HB2 -0.0046 0.0029 0.0057 1282 LEU 422 HB3 -0.0046 0.0026 0.0054 1283 LEU 422 CG -0.0046 0.0028 0.0057 1284 LEU 422 HG -0.0046 0.0030 0.0059 1285 LEU 422 CD1 -0.0048 0.0025 0.0059 1286 LEU 422 HD11 -0.0049 0.0022 0.0057 1287 LEU 422 HD12 -0.0049 0.0025 0.0061 1288 LEU 422 HD13 -0.0049 0.0025 0.0061 1289 LEU 422 CD2 -0.0046 0.0028 0.0055 1290 LEU 422 HD21 -0.0046 0.0026 0.0052 1291 LEU 422 HD22 -0.0046 0.0027 0.0056 1292 LEU 422 HD23 -0.0044 0.0030 0.0054 1293 SER 423 N -0.0044 0.0013 0.0045 1294 SER 423 HN -0.0046 0.0016 0.0046 1295 SER 423 CA -0.0044 0.0012 0.0045 1296 SER 423 HA -0.0044 0.0009 0.0046 1297 SER 423 C -0.0043 0.0012 0.0042 1298 SER 423 O -0.0041 0.0009 0.0041 1299 SER 423 CB -0.0047 0.0014 0.0049 1300 SER 423 HB2 -0.0048 0.0013 0.0051 1301 SER 423 HB3 -0.0047 0.0012 0.0050 1302 SER 423 OG -0.0048 0.0018 0.0048 1303 SER 423 HG -0.0048 0.0019 0.0048 1304 GLN 424 N -0.0043 0.0016 0.0041 1305 GLN 424 HN -0.0044 0.0018 0.0042 1306 GLN 424 CA -0.0041 0.0018 0.0037 1307 GLN 424 HA -0.0041 0.0016 0.0038 1308 GLN 424 C -0.0039 0.0017 0.0034 1309 GLN 424 O -0.0038 0.0018 0.0031 1310 GLN 424 CB -0.0043 0.0022 0.0037 1311 GLN 424 HB2 -0.0043 0.0024 0.0036 1312 GLN 424 HB3 -0.0042 0.0024 0.0035 1313 GLN 424 CG -0.0045 0.0024 0.0041 1314 GLN 424 HG2 -0.0046 0.0028 0.0040 1315 GLN 424 HG3 -0.0046 0.0024 0.0043 1316 GLN 424 CD -0.0046 0.0022 0.0042 1317 GLN 424 OE1 -0.0045 0.0023 0.0041 1318 GLN 424 NE2 -0.0047 0.0020 0.0046 1319 GLN 424 HE21 -0.0047 0.0019 0.0047 1320 GLN 424 HE22 -0.0048 0.0019 0.0047 1321 ARG 425 N -0.0040 0.0014 0.0028 1322 ARG 425 HN -0.0045 0.0014 0.0030 1323 ARG 425 CA -0.0037 0.0014 0.0026 1324 ARG 425 HA -0.0034 0.0019 0.0027 1325 ARG 425 C -0.0032 0.0009 0.0020 1326 ARG 425 O -0.0026 0.0011 0.0018 1327 ARG 425 CB -0.0042 0.0012 0.0028 1328 ARG 425 HB2 -0.0046 0.0007 0.0028 1329 ARG 425 HB3 -0.0040 0.0009 0.0025 1330 ARG 425 CG -0.0046 0.0017 0.0032 1331 ARG 425 HG2 -0.0048 0.0020 0.0035 1332 ARG 425 HG3 -0.0042 0.0021 0.0032 1333 ARG 425 CD -0.0052 0.0014 0.0034 1334 ARG 425 HD2 -0.0055 0.0010 0.0035 1335 ARG 425 HD3 -0.0054 0.0018 0.0038 1336 ARG 425 NE -0.0049 0.0011 0.0031 1337 ARG 425 HE -0.0045 0.0015 0.0031 1338 ARG 425 CZ -0.0050 0.0004 0.0029 1339 ARG 425 NH1 -0.0054 -0.0001 0.0029 1340 ARG 425 HH11 -0.0056 0.0000 0.0030 1341 ARG 425 HH12 -0.0054 -0.0006 0.0027 1342 ARG 425 NH2 -0.0047 0.0003 0.0027 1343 ARG 425 HH21 -0.0045 0.0007 0.0027 1344 ARG 425 HH22 -0.0049 -0.0002 0.0025 1345 ILE 426 N -0.0034 0.0002 0.0019 1346 ILE 426 HN -0.0039 0.0001 0.0021 1347 ILE 426 CA -0.0031 -0.0004 0.0014 1348 ILE 426 HA -0.0027 -0.0002 0.0012 1349 ILE 426 C -0.0030 -0.0009 0.0011 1350 ILE 426 O -0.0026 -0.0012 0.0007 1351 ILE 426 CB -0.0036 -0.0007 0.0015 1352 ILE 426 HB -0.0036 -0.0003 0.0017 1353 ILE 426 CG1 -0.0032 -0.0012 0.0010 1354 ILE 426 HG12 -0.0032 -0.0017 0.0008 1355 ILE 426 HG13 -0.0027 -0.0010 0.0009 1356 ILE 426 CG2 -0.0043 -0.0011 0.0018 1357 ILE 426 HG21 -0.0043 -0.0016 0.0016 1358 ILE 426 HG22 -0.0046 -0.0007 0.0021 1359 ILE 426 HG23 -0.0046 -0.0013 0.0018 1360 ILE 426 CD1 -0.0035 -0.0015 0.0011 1361 ILE 426 HD11 -0.0040 -0.0018 0.0013 1362 ILE 426 HD12 -0.0035 -0.0010 0.0013 1363 ILE 426 HD13 -0.0032 -0.0018 0.0008 1364 ASP 427 N -0.0033 -0.0013 0.0016 1365 ASP 427 HN -0.0037 -0.0010 0.0017 1366 ASP 427 CA -0.0035 -0.0018 0.0017 1367 ASP 427 HA -0.0035 -0.0023 0.0018 1368 ASP 427 C -0.0031 -0.0018 0.0015 1369 ASP 427 O -0.0026 -0.0015 0.0012 1370 ASP 427 CB -0.0042 -0.0015 0.0020 1371 ASP 427 HB2 -0.0042 -0.0009 0.0020 1372 ASP 427 HB3 -0.0045 -0.0016 0.0022 1373 ASP 427 CG -0.0045 -0.0018 0.0022 1374 ASP 427 OD1 -0.0045 -0.0025 0.0023 1375 ASP 427 OD2 -0.0046 -0.0014 0.0023 1376 GLN 428 N -0.0032 -0.0022 0.0016 1377 GLN 428 HN -0.0036 -0.0025 0.0018 1378 GLN 428 CA -0.0031 -0.0023 0.0015 1379 GLN 428 HA -0.0026 -0.0024 0.0013 1380 GLN 428 C -0.0031 -0.0016 0.0015 1381 GLN 428 O -0.0027 -0.0013 0.0012 1382 GLN 428 CB -0.0034 -0.0028 0.0018 1383 GLN 428 HB2 -0.0033 -0.0034 0.0017 1384 GLN 428 HB3 -0.0039 -0.0027 0.0020 1385 GLN 428 CG -0.0033 -0.0029 0.0017 1386 GLN 428 HG2 -0.0028 -0.0031 0.0014 1387 GLN 428 HG3 -0.0034 -0.0024 0.0017 1388 GLN 428 CD -0.0037 -0.0035 0.0020 1389 GLN 428 OE1 -0.0035 -0.0040 0.0019 1390 GLN 428 NE2 -0.0043 -0.0032 0.0023 1391 GLN 428 HE21 -0.0046 -0.0036 0.0024 1392 GLN 428 HE22 -0.0045 -0.0028 0.0023 1393 TRP 429 N -0.0040 -0.0015 0.0018 1394 TRP 429 HN -0.0044 -0.0019 0.0022 1395 TRP 429 CA -0.0040 -0.0006 0.0020 1396 TRP 429 HA -0.0037 -0.0005 0.0018 1397 TRP 429 C -0.0037 0.0000 0.0018 1398 TRP 429 O -0.0033 0.0006 0.0015 1399 TRP 429 CB -0.0047 -0.0005 0.0028 1400 TRP 429 HB2 -0.0050 -0.0006 0.0030 1401 TRP 429 HB3 -0.0047 0.0002 0.0029 1402 TRP 429 CG -0.0050 -0.0010 0.0030 1403 TRP 429 CD1 -0.0054 -0.0018 0.0033 1404 TRP 429 HD1 -0.0056 -0.0020 0.0034 1405 TRP 429 CD2 -0.0049 -0.0009 0.0029 1406 TRP 429 NE1 -0.0055 -0.0021 0.0034 1407 TRP 429 HE1 -0.0059 -0.0026 0.0036 1408 TRP 429 CE2 -0.0052 -0.0016 0.0031 1409 TRP 429 CE3 -0.0045 -0.0003 0.0026 1410 TRP 429 HE3 -0.0042 0.0003 0.0024 1411 TRP 429 CZ2 -0.0052 -0.0016 0.0031 1412 TRP 429 HZ2 -0.0055 -0.0021 0.0033 1413 TRP 429 CZ3 -0.0044 -0.0003 0.0025 1414 TRP 429 HZ3 -0.0042 0.0002 0.0023 1415 TRP 429 CH2 -0.0048 -0.0010 0.0028 1416 TRP 429 HH2 -0.0048 -0.0010 0.0028 1417 HIS 430 N -0.0040 -0.0001 0.0021 1418 HIS 430 HN -0.0044 -0.0005 0.0024 1419 HIS 430 CA -0.0036 0.0001 0.0017 1420 HIS 430 HA -0.0039 -0.0002 0.0020 1421 HIS 430 C -0.0034 0.0011 0.0017 1422 HIS 430 O -0.0037 0.0016 0.0021 1423 HIS 430 CB -0.0031 -0.0005 0.0010 1424 HIS 430 HB2 -0.0027 -0.0002 0.0007 1425 HIS 430 HB3 -0.0032 -0.0011 0.0011 1426 HIS 430 CG -0.0028 -0.0008 0.0007 1427 HIS 430 ND1 -0.0029 -0.0005 0.0008 1428 HIS 430 HD1 -0.0032 -0.0001 0.0012 1429 HIS 430 CD2 -0.0024 -0.0014 0.0002 1430 HIS 430 HD2 -0.0023 -0.0019 -0.0000 1431 HIS 430 CE1 -0.0025 -0.0009 0.0004 1432 HIS 430 HE1 -0.0026 -0.0009 0.0005 1433 HIS 430 NE2 -0.0023 -0.0015 0.0000 1434 HIS 430 HE2 -0.0021 -0.0020 -0.0002 1435 LYS 431 N -0.0046 -0.0002 0.0012 1436 LYS 431 HN -0.0045 -0.0010 0.0007 1437 LYS 431 CA -0.0042 0.0009 0.0010 1438 LYS 431 HA -0.0046 0.0013 0.0018 1439 LYS 431 C -0.0037 0.0020 0.0008 1440 LYS 431 O -0.0035 0.0031 0.0010 1441 LYS 431 CB -0.0036 0.0007 0.0001 1442 LYS 431 HB2 -0.0032 0.0016 -0.0001 1443 LYS 431 HB3 -0.0040 0.0002 0.0005 1444 LYS 431 CG -0.0031 -0.0002 -0.0010 1445 LYS 431 HG2 -0.0029 -0.0005 -0.0014 1446 LYS 431 HG3 -0.0035 -0.0011 -0.0008 1447 LYS 431 CD -0.0024 0.0003 -0.0017 1448 LYS 431 HD2 -0.0020 0.0010 -0.0021 1449 LYS 431 HD3 -0.0026 0.0009 -0.0013 1450 LYS 431 CE -0.0021 -0.0006 -0.0026 1451 LYS 431 HE2 -0.0021 -0.0014 -0.0029 1452 LYS 431 HE3 -0.0015 -0.0001 -0.0033 1453 LYS 431 NZ -0.0026 -0.0012 -0.0021 1454 LYS 431 HZ1 -0.0032 -0.0017 -0.0015 1455 LYS 431 HZ2 -0.0024 -0.0018 -0.0027 1456 LYS 431 HZ3 -0.0026 -0.0004 -0.0018 1457 ASP 432 N -0.0036 0.0018 0.0005 1458 ASP 432 HN -0.0037 0.0009 0.0003 1459 ASP 432 CA -0.0033 0.0026 0.0005 1460 ASP 432 HA -0.0028 0.0034 0.0000 1461 ASP 432 C -0.0040 0.0033 0.0017 1462 ASP 432 O -0.0038 0.0044 0.0019 1463 ASP 432 CB -0.0032 0.0019 0.0000 1464 ASP 432 HB2 -0.0031 0.0026 0.0002 1465 ASP 432 HB3 -0.0037 0.0011 0.0005 1466 ASP 432 CG -0.0025 0.0014 -0.0012 1467 ASP 432 OD1 -0.0021 0.0016 -0.0017 1468 ASP 432 OD2 -0.0025 0.0007 -0.0016 1469 ALA 433 N -0.0037 0.0034 0.0025 1470 ALA 433 HN -0.0037 0.0028 0.0023 1471 ALA 433 CA -0.0041 0.0036 0.0032 1472 ALA 433 HA -0.0040 0.0040 0.0032 1473 ALA 433 C -0.0043 0.0041 0.0036 1474 ALA 433 O -0.0044 0.0047 0.0040 1475 ALA 433 CB -0.0045 0.0029 0.0034 1476 ALA 433 HB1 -0.0046 0.0024 0.0034 1477 ALA 433 HB2 -0.0044 0.0026 0.0031 1478 ALA 433 HB3 -0.0049 0.0030 0.0039 1479 ILE 434 N -0.0044 0.0038 0.0036 1480 ILE 434 HN -0.0043 0.0033 0.0033 1481 ILE 434 CA -0.0047 0.0040 0.0041 1482 ILE 434 HA -0.0050 0.0036 0.0044 1483 ILE 434 C -0.0048 0.0048 0.0045 1484 ILE 434 O -0.0052 0.0047 0.0051 1485 ILE 434 CB -0.0044 0.0040 0.0037 1486 ILE 434 HB -0.0047 0.0042 0.0041 1487 ILE 434 CG1 -0.0039 0.0045 0.0032 1488 ILE 434 HG12 -0.0037 0.0044 0.0028 1489 ILE 434 HG13 -0.0039 0.0051 0.0034 1490 ILE 434 CG2 -0.0045 0.0031 0.0036 1491 ILE 434 HG21 -0.0044 0.0028 0.0032 1492 ILE 434 HG22 -0.0050 0.0029 0.0040 1493 ILE 434 HG23 -0.0044 0.0031 0.0033 1494 ILE 434 CD1 -0.0036 0.0044 0.0028 1495 ILE 434 HD11 -0.0036 0.0038 0.0025 1496 ILE 434 HD12 -0.0038 0.0045 0.0031 1497 ILE 434 HD13 -0.0032 0.0048 0.0024 1498 LEU 435 N -0.0044 0.0059 0.0045 1499 LEU 435 HN -0.0043 0.0058 0.0040 1500 LEU 435 CA -0.0043 0.0067 0.0048 1501 LEU 435 HA -0.0043 0.0068 0.0049 1502 LEU 435 C -0.0044 0.0068 0.0055 1503 LEU 435 O -0.0045 0.0070 0.0060 1504 LEU 435 CB -0.0041 0.0071 0.0042 1505 LEU 435 HB2 -0.0041 0.0069 0.0039 1506 LEU 435 HB3 -0.0040 0.0077 0.0044 1507 LEU 435 CG -0.0039 0.0073 0.0035 1508 LEU 435 HG -0.0037 0.0075 0.0031 1509 LEU 435 CD1 -0.0038 0.0078 0.0037 1510 LEU 435 HD11 -0.0039 0.0076 0.0041 1511 LEU 435 HD12 -0.0037 0.0083 0.0039 1512 LEU 435 HD13 -0.0037 0.0080 0.0032 1513 LEU 435 CD2 -0.0039 0.0066 0.0031 1514 LEU 435 HD21 -0.0041 0.0064 0.0035 1515 LEU 435 HD22 -0.0038 0.0068 0.0026 1516 LEU 435 HD23 -0.0040 0.0062 0.0030 1517 GLY 436 N -0.0044 0.0067 0.0055 1518 GLY 436 HN -0.0044 0.0066 0.0050 1519 GLY 436 CA -0.0045 0.0068 0.0061 1520 GLY 436 HA2 -0.0044 0.0073 0.0061 1521 GLY 436 HA3 -0.0046 0.0065 0.0059 1522 GLY 436 C -0.0048 0.0066 0.0068 1523 GLY 436 O -0.0048 0.0069 0.0074 1524 ASP 437 N -0.0043 0.0064 0.0063 1525 ASP 437 HN -0.0043 0.0062 0.0060 1526 ASP 437 CA -0.0043 0.0061 0.0067 1527 ASP 437 HA -0.0043 0.0060 0.0069 1528 ASP 437 C -0.0043 0.0064 0.0069 1529 ASP 437 O -0.0043 0.0065 0.0073 1530 ASP 437 CB -0.0044 0.0057 0.0064 1531 ASP 437 HB2 -0.0044 0.0059 0.0061 1532 ASP 437 HB3 -0.0044 0.0055 0.0062 1533 ASP 437 CG -0.0044 0.0053 0.0066 1534 ASP 437 OD1 -0.0044 0.0054 0.0071 1535 ASP 437 OD2 -0.0045 0.0050 0.0064 1536 VAL 438 N -0.0043 0.0067 0.0066 1537 VAL 438 HN -0.0043 0.0067 0.0063 1538 VAL 438 CA -0.0042 0.0070 0.0068 1539 VAL 438 HA -0.0042 0.0068 0.0071 1540 VAL 438 C -0.0042 0.0075 0.0070 1541 VAL 438 O -0.0041 0.0077 0.0072 1542 VAL 438 CB -0.0042 0.0070 0.0064 1543 VAL 438 HB -0.0042 0.0072 0.0061 1544 VAL 438 CG1 -0.0043 0.0066 0.0062 1545 VAL 438 HG11 -0.0043 0.0064 0.0065 1546 VAL 438 HG12 -0.0043 0.0066 0.0059 1547 VAL 438 HG13 -0.0043 0.0063 0.0061 1548 VAL 438 CG2 -0.0042 0.0074 0.0064 1549 VAL 438 HG21 -0.0042 0.0073 0.0068 1550 VAL 438 HG22 -0.0042 0.0078 0.0065 1551 VAL 438 HG23 -0.0042 0.0074 0.0061 1552 LEU 439 N -0.0041 0.0079 0.0069 1553 LEU 439 HN -0.0042 0.0078 0.0068 1554 LEU 439 CA -0.0041 0.0083 0.0072 1555 LEU 439 HA -0.0041 0.0085 0.0071 1556 LEU 439 C -0.0038 0.0083 0.0077 1557 LEU 439 O -0.0038 0.0085 0.0079 1558 LEU 439 CB -0.0042 0.0087 0.0071 1559 LEU 439 HB2 -0.0044 0.0088 0.0068 1560 LEU 439 HB3 -0.0042 0.0086 0.0071 1561 LEU 439 CG -0.0042 0.0092 0.0073 1562 LEU 439 HG -0.0040 0.0091 0.0077 1563 LEU 439 CD1 -0.0043 0.0094 0.0073 1564 LEU 439 HD11 -0.0044 0.0095 0.0070 1565 LEU 439 HD12 -0.0042 0.0092 0.0075 1566 LEU 439 HD13 -0.0042 0.0098 0.0075 1567 LEU 439 CD2 -0.0043 0.0095 0.0072 1568 LEU 439 HD21 -0.0045 0.0096 0.0069 1569 LEU 439 HD22 -0.0043 0.0098 0.0074 1570 LEU 439 HD23 -0.0043 0.0093 0.0072 1571 LEU 440 N -0.0037 0.0080 0.0078 1572 LEU 440 HN -0.0038 0.0079 0.0076 1573 LEU 440 CA -0.0035 0.0078 0.0082 1574 LEU 440 HA -0.0034 0.0081 0.0084 1575 LEU 440 C -0.0034 0.0076 0.0083 1576 LEU 440 O -0.0033 0.0077 0.0086 1577 LEU 440 CB -0.0034 0.0076 0.0083 1578 LEU 440 HB2 -0.0035 0.0078 0.0081 1579 LEU 440 HB3 -0.0034 0.0072 0.0081 1580 LEU 440 CG -0.0031 0.0075 0.0087 1581 LEU 440 HG -0.0031 0.0079 0.0089 1582 LEU 440 CD1 -0.0031 0.0074 0.0087 1583 LEU 440 HD11 -0.0031 0.0070 0.0086 1584 LEU 440 HD12 -0.0032 0.0076 0.0086 1585 LEU 440 HD13 -0.0029 0.0074 0.0091 1586 LEU 440 CD2 -0.0029 0.0072 0.0090 1587 LEU 440 HD21 -0.0029 0.0069 0.0088 1588 LEU 440 HD22 -0.0028 0.0072 0.0093 1589 LEU 440 HD23 -0.0030 0.0074 0.0090 1590 ALA 441 N -0.0034 0.0071 0.0076 1591 ALA 441 HN -0.0035 0.0070 0.0075 1592 ALA 441 CA -0.0033 0.0067 0.0075 1593 ALA 441 HA -0.0030 0.0067 0.0078 1594 ALA 441 C -0.0035 0.0068 0.0073 1595 ALA 441 O -0.0036 0.0065 0.0070 1596 ALA 441 CB -0.0032 0.0063 0.0073 1597 ALA 441 HB1 -0.0034 0.0063 0.0071 1598 ALA 441 HB2 -0.0030 0.0063 0.0075 1599 ALA 441 HB3 -0.0031 0.0060 0.0073 1600 HIS 442 N -0.0036 0.0071 0.0074 1601 HIS 442 HN -0.0035 0.0074 0.0076 1602 HIS 442 CA -0.0038 0.0073 0.0072 1603 HIS 442 HA -0.0040 0.0071 0.0070 1604 HIS 442 C -0.0036 0.0071 0.0073 1605 HIS 442 O -0.0037 0.0068 0.0071 1606 HIS 442 CB -0.0041 0.0078 0.0073 1607 HIS 442 HB2 -0.0042 0.0079 0.0072 1608 HIS 442 HB3 -0.0043 0.0078 0.0071 1609 HIS 442 CG -0.0039 0.0081 0.0077 1610 HIS 442 ND1 -0.0039 0.0083 0.0078 1611 HIS 442 HD1 -0.0040 0.0083 0.0076 1612 HIS 442 CD2 -0.0037 0.0082 0.0080 1613 HIS 442 HD2 -0.0036 0.0081 0.0080 1614 HIS 442 CE1 -0.0037 0.0085 0.0081 1615 HIS 442 HE1 -0.0037 0.0087 0.0082 1616 HIS 442 NE2 -0.0036 0.0085 0.0082 1617 HIS 442 HE2 -0.0034 0.0087 0.0085 1618 PHE 443 N -0.0034 0.0067 0.0068 1619 PHE 443 HN -0.0033 0.0071 0.0070 1620 PHE 443 CA -0.0029 0.0063 0.0067 1621 PHE 443 HA -0.0032 0.0061 0.0065 1622 PHE 443 C -0.0026 0.0059 0.0066 1623 PHE 443 O -0.0025 0.0054 0.0064 1624 PHE 443 CB -0.0025 0.0066 0.0069 1625 PHE 443 HB2 -0.0027 0.0070 0.0070 1626 PHE 443 HB3 -0.0021 0.0069 0.0070 1627 PHE 443 CG -0.0021 0.0062 0.0068 1628 PHE 443 CD1 -0.0016 0.0060 0.0067 1629 PHE 443 HD1 -0.0013 0.0062 0.0068 1630 PHE 443 CD2 -0.0024 0.0060 0.0066 1631 PHE 443 HD2 -0.0029 0.0062 0.0066 1632 PHE 443 CE1 -0.0013 0.0056 0.0066 1633 PHE 443 HE1 -0.0008 0.0054 0.0066 1634 PHE 443 CE2 -0.0021 0.0056 0.0065 1635 PHE 443 HE2 -0.0024 0.0055 0.0064 1636 PHE 443 CZ -0.0016 0.0054 0.0065 1637 PHE 443 HZ -0.0013 0.0051 0.0064 1638 SER 444 N -0.0024 0.0061 0.0067 1639 SER 444 HN -0.0024 0.0066 0.0068 1640 SER 444 CA -0.0022 0.0058 0.0066 1641 SER 444 HA -0.0017 0.0058 0.0066 1642 SER 444 C -0.0024 0.0052 0.0063 1643 SER 444 O -0.0021 0.0049 0.0062 1644 SER 444 CB -0.0023 0.0062 0.0067 1645 SER 444 HB2 -0.0022 0.0060 0.0066 1646 SER 444 HB3 -0.0028 0.0063 0.0067 1647 SER 444 OG -0.0020 0.0067 0.0070 1648 SER 444 HG -0.0018 0.0068 0.0070 1649 LYS 445 N -0.0025 0.0054 0.0057 1650 LYS 445 HN -0.0028 0.0055 0.0059 1651 LYS 445 CA -0.0028 0.0050 0.0056 1652 LYS 445 HA -0.0026 0.0051 0.0055 1653 LYS 445 C -0.0028 0.0044 0.0053 1654 LYS 445 O -0.0028 0.0041 0.0051 1655 LYS 445 CB -0.0033 0.0050 0.0060 1656 LYS 445 HB2 -0.0036 0.0049 0.0061 1657 LYS 445 HB3 -0.0035 0.0046 0.0059 1658 LYS 445 CG -0.0034 0.0055 0.0063 1659 LYS 445 HG2 -0.0031 0.0055 0.0061 1660 LYS 445 HG3 -0.0032 0.0059 0.0064 1661 LYS 445 CD -0.0039 0.0055 0.0067 1662 LYS 445 HD2 -0.0041 0.0052 0.0066 1663 LYS 445 HD3 -0.0041 0.0055 0.0068 1664 LYS 445 CE -0.0039 0.0060 0.0069 1665 LYS 445 HE2 -0.0037 0.0064 0.0070 1666 LYS 445 HE3 -0.0037 0.0060 0.0068 1667 LYS 445 NZ -0.0044 0.0060 0.0073 1668 LYS 445 HZ1 -0.0046 0.0061 0.0074 1669 LYS 445 HZ2 -0.0044 0.0063 0.0074 1670 LYS 445 HZ3 -0.0046 0.0057 0.0072 1671 GLN 446 N -0.0027 0.0043 0.0052 1672 GLN 446 HN -0.0026 0.0045 0.0053 1673 GLN 446 CA -0.0028 0.0037 0.0050 1674 GLN 446 HA -0.0032 0.0035 0.0051 1675 GLN 446 C -0.0025 0.0034 0.0046 1676 GLN 446 O -0.0027 0.0030 0.0045 1677 GLN 446 CB -0.0027 0.0038 0.0049 1678 GLN 446 HB2 -0.0029 0.0041 0.0052 1679 GLN 446 HB3 -0.0023 0.0039 0.0048 1680 GLN 446 CG -0.0030 0.0033 0.0048 1681 GLN 446 HG2 -0.0030 0.0034 0.0049 1682 GLN 446 HG3 -0.0034 0.0031 0.0050 1683 GLN 446 CD -0.0027 0.0028 0.0044 1684 GLN 446 OE1 -0.0022 0.0030 0.0042 1685 GLN 446 NE2 -0.0029 0.0023 0.0043 1686 GLN 446 HE21 -0.0027 0.0021 0.0040 1687 GLN 446 HE22 -0.0033 0.0023 0.0045 1688 SER 447 N -0.0025 0.0030 0.0049 1689 SER 447 HN -0.0024 0.0032 0.0049 1690 SER 447 CA -0.0022 0.0027 0.0045 1691 SER 447 HA -0.0022 0.0024 0.0044 1692 SER 447 C -0.0022 0.0027 0.0046 1693 SER 447 O -0.0023 0.0024 0.0044 1694 SER 447 CB -0.0016 0.0030 0.0043 1695 SER 447 HB2 -0.0016 0.0034 0.0045 1696 SER 447 HB3 -0.0016 0.0030 0.0043 1697 SER 447 OG -0.0013 0.0028 0.0040 1698 SER 447 HG -0.0014 0.0027 0.0040 1699 MET 448 N -0.0022 0.0032 0.0048 1700 MET 448 HN -0.0021 0.0035 0.0049 1701 MET 448 CA -0.0022 0.0033 0.0049 1702 MET 448 HA -0.0019 0.0033 0.0046 1703 MET 448 C -0.0026 0.0030 0.0049 1704 MET 448 O -0.0025 0.0029 0.0048 1705 MET 448 CB -0.0022 0.0038 0.0052 1706 MET 448 HB2 -0.0023 0.0039 0.0053 1707 MET 448 HB3 -0.0025 0.0039 0.0054 1708 MET 448 CG -0.0018 0.0042 0.0051 1709 MET 448 HG2 -0.0015 0.0043 0.0049 1710 MET 448 HG3 -0.0019 0.0046 0.0053 1711 MET 448 SD -0.0015 0.0042 0.0049 1712 MET 448 CE -0.0011 0.0048 0.0049 1713 MET 448 HE1 -0.0008 0.0047 0.0047 1714 MET 448 HE2 -0.0010 0.0049 0.0049 1715 MET 448 HE3 -0.0012 0.0051 0.0051 1716 ILE 449 N -0.0027 0.0034 0.0046 1717 ILE 449 HN -0.0028 0.0034 0.0047 1718 ILE 449 CA -0.0032 0.0028 0.0049 1719 ILE 449 HA -0.0031 0.0029 0.0048 1720 ILE 449 C -0.0033 0.0020 0.0047 1721 ILE 449 O -0.0033 0.0015 0.0046 1722 ILE 449 CB -0.0037 0.0031 0.0056 1723 ILE 449 HB -0.0036 0.0037 0.0057 1724 ILE 449 CG1 -0.0041 0.0027 0.0059 1725 ILE 449 HG12 -0.0039 0.0027 0.0056 1726 ILE 449 HG13 -0.0044 0.0032 0.0063 1727 ILE 449 CG2 -0.0040 0.0031 0.0059 1728 ILE 449 HG21 -0.0042 0.0025 0.0058 1729 ILE 449 HG22 -0.0037 0.0034 0.0057 1730 ILE 449 HG23 -0.0044 0.0034 0.0064 1731 ILE 449 CD1 -0.0046 0.0020 0.0061 1732 ILE 449 HD11 -0.0043 0.0015 0.0057 1733 ILE 449 HD12 -0.0048 0.0020 0.0064 1734 ILE 449 HD13 -0.0048 0.0018 0.0063 1735 GLU 450 N -0.0032 0.0018 0.0045 1736 GLU 450 HN -0.0031 0.0021 0.0046 1737 GLU 450 CA -0.0033 0.0010 0.0044 1738 GLU 450 HA -0.0037 0.0007 0.0047 1739 GLU 450 C -0.0029 0.0005 0.0037 1740 GLU 450 O -0.0031 -0.0002 0.0037 1741 GLU 450 CB -0.0034 0.0009 0.0044 1742 GLU 450 HB2 -0.0036 0.0013 0.0048 1743 GLU 450 HB3 -0.0030 0.0010 0.0040 1744 GLU 450 CG -0.0038 0.0001 0.0045 1745 GLU 450 HG2 -0.0042 -0.0000 0.0049 1746 GLU 450 HG3 -0.0036 -0.0004 0.0041 1747 GLU 450 CD -0.0038 -0.0000 0.0045 1748 GLU 450 OE1 -0.0038 0.0006 0.0048 1749 GLU 450 OE2 -0.0038 -0.0007 0.0043 1750 THR 451 N -0.0031 0.0001 0.0036 1751 THR 451 HN -0.0029 0.0007 0.0038 1752 THR 451 CA -0.0026 -0.0003 0.0029 1753 THR 451 HA -0.0027 -0.0010 0.0028 1754 THR 451 C -0.0025 -0.0004 0.0029 1755 THR 451 O -0.0025 -0.0011 0.0025 1756 THR 451 CB -0.0018 0.0001 0.0024 1757 THR 451 HB -0.0016 0.0008 0.0025 1758 THR 451 OG1 -0.0018 0.0002 0.0025 1759 THR 451 HG1 -0.0020 -0.0004 0.0024 1760 THR 451 CG2 -0.0013 -0.0004 0.0016 1761 THR 451 HG21 -0.0015 -0.0011 0.0015 1762 THR 451 HG22 -0.0012 -0.0005 0.0015 1763 THR 451 HG23 -0.0007 -0.0001 0.0013 1764 TYR 452 N -0.0026 0.0003 0.0033 1765 TYR 452 HN -0.0027 0.0008 0.0036 1766 TYR 452 CA -0.0027 0.0003 0.0034 1767 TYR 452 HA -0.0022 0.0004 0.0029 1768 TYR 452 C -0.0033 -0.0005 0.0035 1769 TYR 452 O -0.0031 -0.0009 0.0031 1770 TYR 452 CB -0.0029 0.0012 0.0040 1771 TYR 452 HB2 -0.0026 0.0018 0.0039 1772 TYR 452 HB3 -0.0035 0.0012 0.0045 1773 TYR 452 CG -0.0028 0.0015 0.0040 1774 TYR 452 CD1 -0.0022 0.0022 0.0038 1775 TYR 452 HD1 -0.0018 0.0026 0.0036 1776 TYR 452 CD2 -0.0033 0.0011 0.0043 1777 TYR 452 HD2 -0.0037 0.0006 0.0045 1778 TYR 452 CE1 -0.0021 0.0026 0.0039 1779 TYR 452 HE1 -0.0017 0.0031 0.0037 1780 TYR 452 CE2 -0.0032 0.0014 0.0044 1781 TYR 452 HE2 -0.0036 0.0011 0.0046 1782 TYR 452 CZ -0.0026 0.0022 0.0041 1783 TYR 452 OH -0.0025 0.0026 0.0042 1784 TYR 452 HH -0.0030 0.0023 0.0046 1785 ILE 453 N -0.0037 -0.0009 0.0038 1786 ILE 453 HN -0.0039 -0.0005 0.0041 1787 ILE 453 CA -0.0043 -0.0017 0.0042 1788 ILE 453 HA -0.0044 -0.0016 0.0043 1789 ILE 453 C -0.0040 -0.0026 0.0036 1790 ILE 453 O -0.0041 -0.0031 0.0035 1791 ILE 453 CB -0.0049 -0.0018 0.0049 1792 ILE 453 HB -0.0050 -0.0010 0.0052 1793 ILE 453 CG1 -0.0056 -0.0023 0.0054 1794 ILE 453 HG12 -0.0056 -0.0020 0.0055 1795 ILE 453 HG13 -0.0060 -0.0021 0.0059 1796 ILE 453 CG2 -0.0049 -0.0020 0.0047 1797 ILE 453 HG21 -0.0049 -0.0028 0.0044 1798 ILE 453 HG22 -0.0044 -0.0016 0.0044 1799 ILE 453 HG23 -0.0053 -0.0020 0.0052 1800 ILE 453 CD1 -0.0058 -0.0034 0.0052 1801 ILE 453 HD11 -0.0054 -0.0036 0.0047 1802 ILE 453 HD12 -0.0058 -0.0037 0.0051 1803 ILE 453 HD13 -0.0062 -0.0037 0.0056 1804 SER 454 N -0.0038 -0.0029 0.0032 1805 SER 454 HN -0.0038 -0.0026 0.0033 1806 SER 454 CA -0.0034 -0.0037 0.0026 1807 SER 454 HA -0.0038 -0.0044 0.0028 1808 SER 454 C -0.0030 -0.0038 0.0020 1809 SER 454 O -0.0030 -0.0046 0.0017 1810 SER 454 CB -0.0031 -0.0037 0.0021 1811 SER 454 HB2 -0.0027 -0.0042 0.0016 1812 SER 454 HB3 -0.0027 -0.0030 0.0020 1813 SER 454 OG -0.0035 -0.0040 0.0025 1814 SER 454 HG -0.0033 -0.0044 0.0021 1815 PHE 455 N -0.0034 -0.0036 0.0016 1816 PHE 455 HN -0.0034 -0.0029 0.0020 1817 PHE 455 CA -0.0027 -0.0036 0.0009 1818 PHE 455 HA -0.0026 -0.0044 0.0003 1819 PHE 455 C -0.0029 -0.0035 0.0012 1820 PHE 455 O -0.0024 -0.0037 0.0006 1821 PHE 455 CB -0.0018 -0.0027 0.0006 1822 PHE 455 HB2 -0.0019 -0.0020 0.0011 1823 PHE 455 HB3 -0.0013 -0.0025 0.0002 1824 PHE 455 CG -0.0014 -0.0030 -0.0001 1825 PHE 455 CD1 -0.0010 -0.0038 -0.0009 1826 PHE 455 HD1 -0.0010 -0.0042 -0.0012 1827 PHE 455 CD2 -0.0013 -0.0025 0.0002 1828 PHE 455 HD2 -0.0016 -0.0019 0.0009 1829 PHE 455 CE1 -0.0006 -0.0040 -0.0015 1830 PHE 455 HE1 -0.0003 -0.0046 -0.0022 1831 PHE 455 CE2 -0.0009 -0.0028 -0.0004 1832 PHE 455 HE2 -0.0009 -0.0024 -0.0002 1833 PHE 455 CZ -0.0005 -0.0035 -0.0012 1834 PHE 455 HZ -0.0002 -0.0037 -0.0017 1835 VAL 456 N -0.0036 -0.0033 0.0021 1836 VAL 456 HN -0.0040 -0.0032 0.0025 1837 VAL 456 CA -0.0039 -0.0032 0.0024 1838 VAL 456 HA -0.0033 -0.0026 0.0022 1839 VAL 456 C -0.0041 -0.0042 0.0019 1840 VAL 456 O -0.0037 -0.0041 0.0016 1841 VAL 456 CB -0.0046 -0.0027 0.0034 1842 VAL 456 HB -0.0045 -0.0021 0.0037 1843 VAL 456 CG1 -0.0044 -0.0020 0.0037 1844 VAL 456 HG11 -0.0045 -0.0026 0.0035 1845 VAL 456 HG12 -0.0049 -0.0017 0.0045 1846 VAL 456 HG13 -0.0038 -0.0014 0.0034 1847 VAL 456 CG2 -0.0056 -0.0035 0.0039 1848 VAL 456 HG21 -0.0058 -0.0040 0.0038 1849 VAL 456 HG22 -0.0057 -0.0040 0.0037 1850 VAL 456 HG23 -0.0060 -0.0031 0.0047 1851 ASP 457 N -0.0048 -0.0060 0.0023 1852 ASP 457 HN -0.0050 -0.0062 0.0025 1853 ASP 457 CA -0.0050 -0.0073 0.0019 1854 ASP 457 HA -0.0055 -0.0073 0.0026 1855 ASP 457 C -0.0041 -0.0073 0.0007 1856 ASP 457 O -0.0041 -0.0073 0.0006 1857 ASP 457 CB -0.0054 -0.0086 0.0020 1858 ASP 457 HB2 -0.0049 -0.0087 0.0012 1859 ASP 457 HB3 -0.0059 -0.0084 0.0028 1860 ASP 457 CG -0.0059 -0.0100 0.0020 1861 ASP 457 OD1 -0.0057 -0.0111 0.0012 1862 ASP 457 OD2 -0.0066 -0.0102 0.0029 1863 ASN 458 N -0.0034 -0.0073 -0.0003 1864 ASN 458 HN -0.0036 -0.0074 -0.0002 1865 ASN 458 CA -0.0025 -0.0071 -0.0016 1866 ASN 458 HA -0.0025 -0.0081 -0.0020 1867 ASN 458 C -0.0021 -0.0059 -0.0016 1868 ASN 458 O -0.0019 -0.0061 -0.0021 1869 ASN 458 CB -0.0020 -0.0070 -0.0023 1870 ASN 458 HB2 -0.0019 -0.0060 -0.0020 1871 ASN 458 HB3 -0.0023 -0.0079 -0.0022 1872 ASN 458 CG -0.0010 -0.0071 -0.0037 1873 ASN 458 OD1 -0.0009 -0.0081 -0.0043 1874 ASN 458 ND2 -0.0003 -0.0060 -0.0043 1875 ASN 458 HD21 0.0003 -0.0061 -0.0052 1876 ASN 458 HD22 -0.0004 -0.0053 -0.0038 1877 PHE 459 N -0.0021 -0.0054 -0.0014 1878 PHE 459 HN -0.0024 -0.0051 -0.0010 1879 PHE 459 CA -0.0016 -0.0043 -0.0013 1880 PHE 459 HA -0.0008 -0.0041 -0.0020 1881 PHE 459 C -0.0019 -0.0046 -0.0010 1882 PHE 459 O -0.0013 -0.0045 -0.0017 1883 PHE 459 CB -0.0016 -0.0031 -0.0004 1884 PHE 459 HB2 -0.0011 -0.0027 -0.0007 1885 PHE 459 HB3 -0.0024 -0.0034 0.0003 1886 PHE 459 CG -0.0015 -0.0021 0.0002 1887 PHE 459 CD1 -0.0024 -0.0020 0.0013 1888 PHE 459 HD1 -0.0031 -0.0026 0.0017 1889 PHE 459 CD2 -0.0006 -0.0013 -0.0003 1890 PHE 459 HD2 0.0001 -0.0014 -0.0011 1891 PHE 459 CE1 -0.0023 -0.0012 0.0018 1892 PHE 459 HE1 -0.0030 -0.0012 0.0026 1893 PHE 459 CE2 -0.0005 -0.0005 0.0002 1894 PHE 459 HE2 0.0002 0.0001 -0.0002 1895 PHE 459 CZ -0.0014 -0.0005 0.0012 1896 PHE 459 HZ -0.0014 0.0002 0.0016 1897 LYS 460 N -0.0029 -0.0048 -0.0001 1898 LYS 460 HN -0.0034 -0.0049 0.0004 1899 LYS 460 CA -0.0034 -0.0050 0.0003 1900 LYS 460 HA -0.0029 -0.0042 0.0003 1901 LYS 460 C -0.0034 -0.0061 -0.0005 1902 LYS 460 O -0.0032 -0.0060 -0.0006 1903 LYS 460 CB -0.0044 -0.0050 0.0015 1904 LYS 460 HB2 -0.0044 -0.0043 0.0019 1905 LYS 460 HB3 -0.0050 -0.0059 0.0015 1906 LYS 460 CG -0.0048 -0.0045 0.0022 1907 LYS 460 HG2 -0.0041 -0.0038 0.0020 1908 LYS 460 HG3 -0.0052 -0.0040 0.0031 1909 LYS 460 CD -0.0055 -0.0055 0.0023 1910 LYS 460 HD2 -0.0051 -0.0062 0.0014 1911 LYS 460 HD3 -0.0062 -0.0061 0.0027 1912 LYS 460 CE -0.0057 -0.0051 0.0029 1913 LYS 460 HE2 -0.0050 -0.0046 0.0024 1914 LYS 460 HE3 -0.0063 -0.0059 0.0029 1915 LYS 460 NZ -0.0061 -0.0042 0.0040 1916 LYS 460 HZ1 -0.0055 -0.0033 0.0039 1917 LYS 460 HZ2 -0.0064 -0.0040 0.0044 1918 LYS 460 HZ3 -0.0067 -0.0044 0.0044 1919 PHE 461 N -0.0037 -0.0078 -0.0014 1920 PHE 461 HN -0.0039 -0.0080 -0.0012 1921 PHE 461 CA -0.0035 -0.0090 -0.0024 1922 PHE 461 HA -0.0040 -0.0093 -0.0019 1923 PHE 461 C -0.0024 -0.0085 -0.0035 1924 PHE 461 O -0.0023 -0.0086 -0.0037 1925 PHE 461 CB -0.0038 -0.0103 -0.0028 1926 PHE 461 HB2 -0.0046 -0.0106 -0.0019 1927 PHE 461 HB3 -0.0033 -0.0100 -0.0033 1928 PHE 461 CG -0.0038 -0.0116 -0.0036 1929 PHE 461 CD1 -0.0046 -0.0124 -0.0031 1930 PHE 461 HD1 -0.0053 -0.0122 -0.0021 1931 PHE 461 CD2 -0.0030 -0.0120 -0.0050 1932 PHE 461 HD2 -0.0024 -0.0113 -0.0054 1933 PHE 461 CE1 -0.0046 -0.0136 -0.0039 1934 PHE 461 HE1 -0.0052 -0.0142 -0.0035 1935 PHE 461 CE2 -0.0030 -0.0131 -0.0057 1936 PHE 461 HE2 -0.0024 -0.0134 -0.0068 1937 PHE 461 CZ -0.0038 -0.0140 -0.0052 1938 PHE 461 HZ -0.0038 -0.0149 -0.0058 1939 ALA 462 N -0.0016 -0.0079 -0.0042 1940 ALA 462 HN -0.0017 -0.0078 -0.0039 1941 ALA 462 CA -0.0005 -0.0073 -0.0052 1942 ALA 462 HA -0.0004 -0.0082 -0.0060 1943 ALA 462 C -0.0002 -0.0062 -0.0049 1944 ALA 462 O 0.0003 -0.0063 -0.0057 1945 ALA 462 CB 0.0002 -0.0067 -0.0057 1946 ALA 462 HB1 0.0000 -0.0058 -0.0049 1947 ALA 462 HB2 -0.0000 -0.0075 -0.0060 1948 ALA 462 HB3 0.0010 -0.0063 -0.0065 1949 LYS 463 N -0.0006 -0.0056 -0.0040 1950 LYS 463 HN -0.0010 -0.0054 -0.0034 1951 LYS 463 CA -0.0005 -0.0047 -0.0035 1952 LYS 463 HA 0.0005 -0.0041 -0.0042 1953 LYS 463 C -0.0010 -0.0054 -0.0034 1954 LYS 463 O -0.0005 -0.0050 -0.0037 1955 LYS 463 CB -0.0009 -0.0035 -0.0022 1956 LYS 463 HB2 -0.0017 -0.0040 -0.0017 1957 LYS 463 HB3 -0.0012 -0.0031 -0.0016 1958 LYS 463 CG 0.0000 -0.0022 -0.0023 1959 LYS 463 HG2 0.0005 -0.0025 -0.0031 1960 LYS 463 HG3 -0.0004 -0.0017 -0.0014 1961 LYS 463 CD 0.0009 -0.0010 -0.0024 1962 LYS 463 HD2 0.0009 -0.0016 -0.0029 1963 LYS 463 HD3 0.0005 -0.0003 -0.0015 1964 LYS 463 CE 0.0021 -0.0001 -0.0032 1965 LYS 463 HE2 0.0025 0.0009 -0.0028 1966 LYS 463 HE3 0.0021 0.0001 -0.0030 1967 LYS 463 NZ 0.0029 -0.0008 -0.0045 1968 LYS 463 HZ1 0.0028 -0.0011 -0.0046 1969 LYS 463 HZ2 0.0038 -0.0001 -0.0050 1970 LYS 463 HZ3 0.0027 -0.0017 -0.0049 1971 ALA 464 N -0.0021 -0.0066 -0.0030 1972 ALA 464 HN -0.0025 -0.0068 -0.0027 1973 ALA 464 CA -0.0027 -0.0076 -0.0031 1974 ALA 464 HA -0.0026 -0.0069 -0.0027 1975 ALA 464 C -0.0020 -0.0085 -0.0045 1976 ALA 464 O -0.0017 -0.0085 -0.0048 1977 ALA 464 CB -0.0040 -0.0085 -0.0023 1978 ALA 464 HB1 -0.0041 -0.0092 -0.0027 1979 ALA 464 HB2 -0.0044 -0.0079 -0.0013 1980 ALA 464 HB3 -0.0044 -0.0092 -0.0024 1981 SER 465 N -0.0018 -0.0098 -0.0060 1982 SER 465 HN -0.0021 -0.0098 -0.0057 1983 SER 465 CA -0.0012 -0.0108 -0.0075 1984 SER 465 HA -0.0018 -0.0118 -0.0074 1985 SER 465 C -0.0001 -0.0101 -0.0083 1986 SER 465 O -0.0000 -0.0109 -0.0089 1987 SER 465 CB -0.0007 -0.0112 -0.0083 1988 SER 465 HB2 -0.0003 -0.0120 -0.0094 1989 SER 465 HB3 -0.0001 -0.0102 -0.0084 1990 SER 465 OG -0.0017 -0.0120 -0.0077 1991 SER 465 HG -0.0021 -0.0131 -0.0079 1992 ILE 466 N 0.0008 -0.0086 -0.0084 1993 ILE 466 HN 0.0007 -0.0080 -0.0078 1994 ILE 466 CA 0.0020 -0.0079 -0.0092 1995 ILE 466 HA 0.0022 -0.0088 -0.0101 1996 ILE 466 C 0.0018 -0.0073 -0.0086 1997 ILE 466 O 0.0024 -0.0073 -0.0094 1998 ILE 466 CB 0.0030 -0.0067 -0.0096 1999 ILE 466 HB 0.0028 -0.0070 -0.0096 2000 ILE 466 CG1 0.0043 -0.0068 -0.0112 2001 ILE 466 HG12 0.0041 -0.0080 -0.0118 2002 ILE 466 HG13 0.0050 -0.0059 -0.0114 2003 ILE 466 CG2 0.0032 -0.0050 -0.0086 2004 ILE 466 HG21 0.0035 -0.0045 -0.0086 2005 ILE 466 HG22 0.0023 -0.0049 -0.0075 2006 ILE 466 HG23 0.0039 -0.0042 -0.0089 2007 ILE 466 CD1 0.0048 -0.0065 -0.0117 2008 ILE 466 HD11 0.0043 -0.0075 -0.0117 2009 ILE 466 HD12 0.0048 -0.0054 -0.0109 2010 ILE 466 HD13 0.0058 -0.0064 -0.0127 2011 ILE 467 N 0.0009 -0.0071 -0.0073 2012 ILE 467 HN 0.0002 -0.0072 -0.0066 2013 ILE 467 CA 0.0007 -0.0065 -0.0066 2014 ILE 467 HA 0.0017 -0.0057 -0.0071 2015 ILE 467 C 0.0000 -0.0079 -0.0070 2016 ILE 467 O -0.0009 -0.0094 -0.0070 2017 ILE 467 CB -0.0001 -0.0052 -0.0049 2018 ILE 467 HB 0.0002 -0.0047 -0.0048 2019 ILE 467 CG1 0.0005 -0.0036 -0.0044 2020 ILE 467 HG12 0.0017 -0.0029 -0.0051 2021 ILE 467 HG13 0.0001 -0.0027 -0.0032 2022 ILE 467 CG2 -0.0018 -0.0062 -0.0038 2023 ILE 467 HG21 -0.0022 -0.0067 -0.0038 2024 ILE 467 HG22 -0.0022 -0.0072 -0.0041 2025 ILE 467 HG23 -0.0023 -0.0053 -0.0026 2026 ILE 467 CD1 0.0003 -0.0038 -0.0043 2027 ILE 467 HD11 0.0009 -0.0045 -0.0054 2028 ILE 467 HD12 -0.0009 -0.0045 -0.0036 2029 ILE 467 HD13 0.0007 -0.0026 -0.0038 2030 GLN 468 N 0.0005 -0.0076 -0.0073 2031 GLN 468 HN 0.0012 -0.0065 -0.0071 2032 GLN 468 CA 0.0003 -0.0089 -0.0079 2033 GLN 468 HA 0.0007 -0.0082 -0.0078 2034 GLN 468 C 0.0011 -0.0100 -0.0096 2035 GLN 468 O 0.0017 -0.0103 -0.0104 2036 GLN 468 CB -0.0014 -0.0100 -0.0070 2037 GLN 468 HB2 -0.0019 -0.0091 -0.0058 2038 GLN 468 HB3 -0.0019 -0.0109 -0.0071 2039 GLN 468 CG -0.0017 -0.0110 -0.0073 2040 GLN 468 HG2 -0.0011 -0.0101 -0.0073 2041 GLN 468 HG3 -0.0014 -0.0120 -0.0084 2042 GLN 468 CD -0.0034 -0.0117 -0.0062 2043 GLN 468 OE1 -0.0038 -0.0111 -0.0052 2044 GLN 468 NE2 -0.0043 -0.0131 -0.0062 2045 GLN 468 HE21 -0.0053 -0.0135 -0.0054 2046 GLN 468 HE22 -0.0039 -0.0135 -0.0069 2047 ALA 469 N 0.0008 -0.0106 -0.0105 2048 ALA 469 HN 0.0002 -0.0105 -0.0097 2049 ALA 469 CA 0.0016 -0.0115 -0.0121 2050 ALA 469 HA 0.0013 -0.0125 -0.0126 2051 ALA 469 C 0.0031 -0.0104 -0.0131 2052 ALA 469 O 0.0038 -0.0110 -0.0145 2053 ALA 469 CB 0.0011 -0.0122 -0.0122 2054 ALA 469 HB1 0.0014 -0.0112 -0.0117 2055 ALA 469 HB2 -0.0000 -0.0131 -0.0116 2056 ALA 469 HB3 0.0017 -0.0130 -0.0134 2057 ARG 470 N 0.0037 -0.0087 -0.0125 2058 ARG 470 HN 0.0031 -0.0083 -0.0115 2059 ARG 470 CA 0.0052 -0.0074 -0.0132 2060 ARG 470 HA 0.0058 -0.0077 -0.0141 2061 ARG 470 C 0.0058 -0.0074 -0.0139 2062 ARG 470 O 0.0053 -0.0071 -0.0131 2063 ARG 470 CB 0.0054 -0.0056 -0.0120 2064 ARG 470 HB2 0.0050 -0.0056 -0.0116 2065 ARG 470 HB3 0.0047 -0.0054 -0.0110 2066 ARG 470 CG 0.0068 -0.0041 -0.0125 2067 ARG 470 HG2 0.0071 -0.0038 -0.0126 2068 ARG 470 HG3 0.0067 -0.0030 -0.0115 2069 ARG 470 CD 0.0080 -0.0041 -0.0140 2070 ARG 470 HD2 0.0077 -0.0047 -0.0140 2071 ARG 470 HD3 0.0084 -0.0049 -0.0151 2072 ARG 470 NE 0.0092 -0.0024 -0.0140 2073 ARG 470 HE 0.0091 -0.0016 -0.0133 2074 ARG 470 CZ 0.0104 -0.0016 -0.0148 2075 ARG 470 NH1 0.0106 -0.0022 -0.0154 2076 ARG 470 HH11 0.0097 -0.0031 -0.0152 2077 ARG 470 HH12 0.0114 -0.0015 -0.0160 2078 ARG 470 NH2 0.0115 -0.0002 -0.0149 2079 ARG 470 HH21 0.0115 0.0001 -0.0147 2080 ARG 470 HH22 0.0123 0.0003 -0.0156 2081 GLN 471 N 0.0066 -0.0076 -0.0163 2082 GLN 471 HN 0.0071 -0.0078 -0.0169 2083 GLN 471 CA 0.0077 -0.0079 -0.0174 2084 GLN 471 HA 0.0065 -0.0091 -0.0173 2085 GLN 471 C 0.0086 -0.0060 -0.0167 2086 GLN 471 O 0.0091 -0.0042 -0.0158 2087 GLN 471 CB 0.0094 -0.0089 -0.0193 2088 GLN 471 HB2 0.0103 -0.0081 -0.0194 2089 GLN 471 HB3 0.0105 -0.0087 -0.0200 2090 GLN 471 CG 0.0085 -0.0114 -0.0204 2091 GLN 471 HG2 0.0077 -0.0117 -0.0200 2092 GLN 471 HG3 0.0074 -0.0122 -0.0201 2093 GLN 471 CD 0.0103 -0.0123 -0.0223 2094 GLN 471 OE1 0.0113 -0.0122 -0.0231 2095 GLN 471 NE2 0.0106 -0.0132 -0.0232 2096 GLN 471 HE21 0.0117 -0.0139 -0.0245 2097 GLN 471 HE22 0.0097 -0.0133 -0.0226 2098 LYS 472 N 0.0089 -0.0065 -0.0172 2099 LYS 472 HN 0.0085 -0.0080 -0.0180 2100 LYS 472 CA 0.0095 -0.0051 -0.0168 2101 LYS 472 HA 0.0081 -0.0050 -0.0156 2102 LYS 472 C 0.0110 -0.0028 -0.0162 2103 LYS 472 O 0.0125 -0.0023 -0.0170 2104 LYS 472 CB 0.0103 -0.0063 -0.0181 2105 LYS 472 HB2 0.0107 -0.0052 -0.0177 2106 LYS 472 HB3 0.0090 -0.0077 -0.0181 2107 LYS 472 CG 0.0122 -0.0070 -0.0200 2108 LYS 472 HG2 0.0134 -0.0057 -0.0200 2109 LYS 472 HG3 0.0129 -0.0070 -0.0206 2110 LYS 472 CD 0.0117 -0.0092 -0.0212 2111 LYS 472 HD2 0.0110 -0.0092 -0.0207 2112 LYS 472 HD3 0.0106 -0.0104 -0.0212 2113 LYS 472 CE 0.0137 -0.0099 -0.0231 2114 LYS 472 HE2 0.0144 -0.0099 -0.0237 2115 LYS 472 HE3 0.0148 -0.0087 -0.0232 2116 LYS 472 NZ 0.0131 -0.0120 -0.0242 2117 LYS 472 HZ1 0.0120 -0.0131 -0.0241 2118 LYS 472 HZ2 0.0144 -0.0124 -0.0255 2119 LYS 472 HZ3 0.0124 -0.0120 -0.0237 2120 HIS 473 N 0.0100 -0.0017 -0.0152 2121 HIS 473 HN 0.0090 -0.0022 -0.0145 2122 HIS 473 CA 0.0111 0.0004 -0.0143 2123 HIS 473 HA 0.0113 0.0008 -0.0141 2124 HIS 473 C 0.0100 0.0012 -0.0123 2125 HIS 473 O 0.0094 0.0019 -0.0110 2126 HIS 473 CB 0.0130 0.0013 -0.0156 2127 HIS 473 HB2 0.0136 0.0029 -0.0147 2128 HIS 473 HB3 0.0130 0.0009 -0.0159 2129 HIS 473 CG 0.0143 0.0010 -0.0173 2130 HIS 473 ND1 0.0143 -0.0007 -0.0189 2131 HIS 473 HD1 0.0134 -0.0017 -0.0190 2132 HIS 473 CD2 0.0155 0.0020 -0.0177 2133 HIS 473 HD2 0.0158 0.0034 -0.0168 2134 HIS 473 CE1 0.0155 -0.0007 -0.0203 2135 HIS 473 HE1 0.0158 -0.0018 -0.0217 2136 HIS 473 NE2 0.0162 0.0009 -0.0195 2137 HIS 473 HE2 0.0172 0.0013 -0.0202 2138 ALA 474 N 0.0098 0.0012 -0.0122 2139 ALA 474 HN 0.0103 0.0006 -0.0133 2140 ALA 474 CA 0.0089 0.0020 -0.0104 2141 ALA 474 HA 0.0086 0.0028 -0.0092 2142 ALA 474 C 0.0072 0.0004 -0.0100 2143 ALA 474 O 0.0070 -0.0012 -0.0113 2144 ALA 474 CB 0.0101 0.0034 -0.0104 2145 ALA 474 HB1 0.0105 0.0026 -0.0115 2146 ALA 474 HB2 0.0114 0.0045 -0.0107 2147 ALA 474 HB3 0.0095 0.0040 -0.0090 2148 PHE 475 N 0.0063 0.0007 -0.0084 2149 PHE 475 HN 0.0063 0.0018 -0.0076 2150 PHE 475 CA 0.0051 -0.0004 -0.0078 2151 PHE 475 HA 0.0050 -0.0016 -0.0086 2152 PHE 475 C 0.0055 0.0001 -0.0079 2153 PHE 475 O 0.0063 -0.0002 -0.0091 2154 PHE 475 CB 0.0038 -0.0004 -0.0063 2155 PHE 475 HB2 0.0039 0.0008 -0.0054 2156 PHE 475 HB3 0.0030 -0.0013 -0.0060 2157 PHE 475 CG 0.0035 -0.0008 -0.0062 2158 PHE 475 CD1 0.0038 0.0004 -0.0055 2159 PHE 475 HD1 0.0042 0.0017 -0.0051 2160 PHE 475 CD2 0.0029 -0.0024 -0.0067 2161 PHE 475 HD2 0.0027 -0.0034 -0.0072 2162 PHE 475 CE1 0.0034 0.0001 -0.0054 2163 PHE 475 HE1 0.0036 0.0010 -0.0049 2164 PHE 475 CE2 0.0026 -0.0028 -0.0066 2165 PHE 475 HE2 0.0021 -0.0040 -0.0070 2166 PHE 475 CZ 0.0028 -0.0015 -0.0059 2167 PHE 475 HZ 0.0026 -0.0018 -0.0058 2168 GLU 476 N 0.0049 0.0008 -0.0066 2169 GLU 476 HN 0.0041 0.0007 -0.0057 2170 GLU 476 CA 0.0054 0.0019 -0.0064 2171 GLU 476 HA 0.0064 0.0027 -0.0070 2172 GLU 476 C 0.0048 0.0031 -0.0048 2173 GLU 476 O 0.0054 0.0044 -0.0045 2174 GLU 476 CB 0.0053 0.0011 -0.0069 2175 GLU 476 HB2 0.0054 0.0020 -0.0064 2176 GLU 476 HB3 0.0062 0.0010 -0.0081 2177 GLU 476 CG 0.0042 -0.0006 -0.0069 2178 GLU 476 HG2 0.0042 -0.0015 -0.0075 2179 GLU 476 HG3 0.0045 -0.0010 -0.0076 2180 GLU 476 CD 0.0029 -0.0008 -0.0054 2181 GLU 476 OE1 0.0024 -0.0010 -0.0050 2182 GLU 476 OE2 0.0023 -0.0006 -0.0046 2183 LYS 477 N 0.0033 0.0024 -0.0036 2184 LYS 477 HN 0.0029 0.0013 -0.0039 2185 LYS 477 CA 0.0028 0.0033 -0.0022 2186 LYS 477 HA 0.0033 0.0042 -0.0023 2187 LYS 477 C 0.0025 0.0039 -0.0014 2188 LYS 477 O 0.0026 0.0052 -0.0006 2189 LYS 477 CB 0.0017 0.0025 -0.0014 2190 LYS 477 HB2 0.0014 0.0032 -0.0004 2191 LYS 477 HB3 0.0021 0.0022 -0.0021 2192 LYS 477 CG 0.0008 0.0010 -0.0012 2193 LYS 477 HG2 0.0011 0.0004 -0.0021 2194 LYS 477 HG3 0.0003 0.0013 -0.0003 2195 LYS 477 CD 0.0000 -0.0001 -0.0010 2196 LYS 477 HD2 0.0005 0.0002 -0.0015 2197 LYS 477 HD3 -0.0006 0.0002 0.0001 2198 LYS 477 CE -0.0005 -0.0017 -0.0016 2199 LYS 477 HE2 -0.0011 -0.0024 -0.0012 2200 LYS 477 HE3 -0.0009 -0.0020 -0.0012 2201 LYS 477 NZ 0.0003 -0.0022 -0.0031 2202 LYS 477 HZ1 0.0008 -0.0018 -0.0035 2203 LYS 477 HZ2 0.0000 -0.0034 -0.0035 2204 LYS 477 HZ3 0.0010 -0.0017 -0.0035 2205 TYR 478 N 0.0022 0.0030 -0.0016 2206 TYR 478 HN 0.0021 0.0020 -0.0022 2207 TYR 478 CA 0.0019 0.0034 -0.0010 2208 TYR 478 HA 0.0014 0.0038 0.0001 2209 TYR 478 C 0.0030 0.0048 -0.0013 2210 TYR 478 O 0.0029 0.0059 -0.0004 2211 TYR 478 CB 0.0014 0.0021 -0.0013 2212 TYR 478 HB2 0.0017 0.0013 -0.0023 2213 TYR 478 HB3 0.0015 0.0024 -0.0011 2214 TYR 478 CG 0.0002 0.0012 -0.0002 2215 TYR 478 CD1 -0.0003 0.0004 -0.0003 2216 TYR 478 HD1 0.0003 0.0002 -0.0011 2217 TYR 478 CD2 -0.0006 0.0013 0.0009 2218 TYR 478 HD2 -0.0002 0.0019 0.0009 2219 TYR 478 CE1 -0.0014 -0.0003 0.0008 2220 TYR 478 HE1 -0.0017 -0.0009 0.0008 2221 TYR 478 CE2 -0.0017 0.0006 0.0019 2222 TYR 478 HE2 -0.0022 0.0007 0.0027 2223 TYR 478 CZ -0.0021 -0.0002 0.0019 2224 TYR 478 OH -0.0032 -0.0008 0.0029 2225 TYR 478 HH -0.0036 -0.0006 0.0036 2226 TYR 479 N 0.0038 0.0048 -0.0030 2227 TYR 479 HN 0.0038 0.0038 -0.0038 2228 TYR 479 CA 0.0050 0.0062 -0.0037 2229 TYR 479 HA 0.0050 0.0066 -0.0034 2230 TYR 479 C 0.0052 0.0075 -0.0029 2231 TYR 479 O 0.0055 0.0088 -0.0022 2232 TYR 479 CB 0.0058 0.0057 -0.0054 2233 TYR 479 HB2 0.0058 0.0052 -0.0060 2234 TYR 479 HB3 0.0054 0.0048 -0.0057 2235 TYR 479 CG 0.0069 0.0070 -0.0062 2236 TYR 479 CD1 0.0076 0.0082 -0.0063 2237 TYR 479 HD1 0.0074 0.0082 -0.0060 2238 TYR 479 CD2 0.0072 0.0071 -0.0066 2239 TYR 479 HD2 0.0066 0.0062 -0.0064 2240 TYR 479 CE1 0.0086 0.0095 -0.0069 2241 TYR 479 HE1 0.0092 0.0104 -0.0070 2242 TYR 479 CE2 0.0082 0.0083 -0.0071 2243 TYR 479 HE2 0.0083 0.0083 -0.0074 2244 TYR 479 CZ 0.0089 0.0095 -0.0073 2245 TYR 479 OH 0.0099 0.0108 -0.0078 2246 TYR 479 HH 0.0099 0.0106 -0.0081 2247 ASN 480 N 0.0051 0.0073 -0.0029 2248 ASN 480 HN 0.0049 0.0062 -0.0035 2249 ASN 480 CA 0.0052 0.0084 -0.0021 2250 ASN 480 HA 0.0061 0.0093 -0.0027 2251 ASN 480 C 0.0046 0.0091 -0.0004 2252 ASN 480 O 0.0051 0.0105 0.0000 2253 ASN 480 CB 0.0050 0.0076 -0.0023 2254 ASN 480 HB2 0.0041 0.0069 -0.0016 2255 ASN 480 HB3 0.0053 0.0069 -0.0035 2256 ASN 480 CG 0.0055 0.0089 -0.0022 2257 ASN 480 OD1 0.0065 0.0097 -0.0031 2258 ASN 480 ND2 0.0049 0.0091 -0.0009 2259 ASN 480 HD21 0.0053 0.0098 -0.0009 2260 ASN 480 HD22 0.0041 0.0085 -0.0001 2261 ARG 481 N 0.0033 0.0082 0.0003 2262 ARG 481 HN 0.0030 0.0071 -0.0001 2263 ARG 481 CA 0.0027 0.0088 0.0019 2264 ARG 481 HA 0.0028 0.0095 0.0023 2265 ARG 481 C 0.0029 0.0097 0.0022 2266 ARG 481 O 0.0029 0.0109 0.0032 2267 ARG 481 CB 0.0015 0.0075 0.0027 2268 ARG 481 HB2 0.0011 0.0080 0.0038 2269 ARG 481 HB3 0.0014 0.0067 0.0022 2270 ARG 481 CG 0.0010 0.0066 0.0028 2271 ARG 481 HG2 0.0011 0.0074 0.0033 2272 ARG 481 HG3 0.0014 0.0061 0.0017 2273 ARG 481 CD -0.0001 0.0055 0.0037 2274 ARG 481 HD2 -0.0003 0.0046 0.0032 2275 ARG 481 HD3 -0.0005 0.0060 0.0048 2276 ARG 481 NE -0.0004 0.0047 0.0036 2277 ARG 481 HE -0.0004 0.0037 0.0028 2278 ARG 481 CZ -0.0006 0.0052 0.0043 2279 ARG 481 NH1 -0.0007 0.0064 0.0054 2280 ARG 481 HH11 -0.0006 0.0069 0.0057 2281 ARG 481 HH12 -0.0008 0.0067 0.0059 2282 ARG 481 NH2 -0.0008 0.0045 0.0039 2283 ARG 481 HH21 -0.0006 0.0037 0.0030 2284 ARG 481 HH22 -0.0008 0.0049 0.0044 2285 CYS 482 N 0.0031 0.0092 0.0014 2286 CYS 482 HN 0.0031 0.0082 0.0007 2287 CYS 482 CA 0.0035 0.0100 0.0015 2288 CYS 482 HA 0.0030 0.0103 0.0026 2289 CYS 482 C 0.0045 0.0114 0.0009 2290 CYS 482 O 0.0047 0.0126 0.0017 2291 CYS 482 CB 0.0035 0.0089 0.0007 2292 CYS 482 HB2 0.0038 0.0096 0.0006 2293 CYS 482 HB3 0.0039 0.0085 -0.0005 2294 CYS 482 SG 0.0022 0.0074 0.0014 2295 CYS 482 HG 0.0019 0.0082 0.0027 2296 CYS 483 N 0.0053 0.0113 -0.0004 2297 CYS 483 HN 0.0052 0.0103 -0.0010 2298 CYS 483 CA 0.0063 0.0126 -0.0010 2299 CYS 483 HA 0.0066 0.0131 -0.0011 2300 CYS 483 C 0.0064 0.0138 -0.0001 2301 CYS 483 O 0.0069 0.0151 0.0001 2302 CYS 483 CB 0.0070 0.0121 -0.0026 2303 CYS 483 HB2 0.0067 0.0116 -0.0025 2304 CYS 483 HB3 0.0069 0.0112 -0.0032 2305 CYS 483 SG 0.0084 0.0136 -0.0036 2306 CYS 483 HG 0.0082 0.0147 -0.0024 2307 ARG 484 N 0.0058 0.0134 0.0004 2308 ARG 484 HN 0.0054 0.0122 0.0002 2309 ARG 484 CA 0.0059 0.0144 0.0012 2310 ARG 484 HA 0.0065 0.0155 0.0010 2311 ARG 484 C 0.0049 0.0146 0.0028 2312 ARG 484 O 0.0045 0.0146 0.0035 2313 ARG 484 CB 0.0059 0.0139 0.0006 2314 ARG 484 HB2 0.0052 0.0129 0.0011 2315 ARG 484 HB3 0.0061 0.0148 0.0011 2316 ARG 484 CG 0.0067 0.0133 -0.0010 2317 ARG 484 HG2 0.0066 0.0129 -0.0012 2318 ARG 484 HG3 0.0064 0.0123 -0.0014 2319 ARG 484 CD 0.0078 0.0145 -0.0019 2320 ARG 484 HD2 0.0079 0.0153 -0.0014 2321 ARG 484 HD3 0.0082 0.0152 -0.0020 2322 ARG 484 NE 0.0083 0.0137 -0.0034 2323 ARG 484 HE 0.0085 0.0138 -0.0036 2324 ARG 484 CZ 0.0085 0.0128 -0.0045 2325 ARG 484 NH1 0.0082 0.0124 -0.0043 2326 ARG 484 HH11 0.0076 0.0124 -0.0033 2327 ARG 484 HH12 0.0082 0.0115 -0.0051 2328 ARG 484 NH2 0.0090 0.0122 -0.0057 2329 ARG 484 HH21 0.0092 0.0124 -0.0058 2330 ARG 484 HH22 0.0092 0.0116 -0.0066 2331 ASP 485 N 0.0043 0.0148 0.0033 2332 ASP 485 HN 0.0047 0.0150 0.0027 2333 ASP 485 CA 0.0036 0.0147 0.0048 2334 ASP 485 HA 0.0033 0.0139 0.0047 2335 ASP 485 C 0.0029 0.0141 0.0057 2336 ASP 485 O 0.0028 0.0149 0.0067 2337 ASP 485 CB 0.0039 0.0161 0.0056 2338 ASP 485 HB2 0.0033 0.0161 0.0068 2339 ASP 485 HB3 0.0044 0.0170 0.0054 2340 ASP 485 CG 0.0042 0.0163 0.0051 2341 ASP 485 OD1 0.0037 0.0154 0.0054 2342 ASP 485 OD2 0.0050 0.0173 0.0044 2343 HIS 486 N 0.0024 0.0127 0.0054 2344 HIS 486 HN 0.0025 0.0120 0.0046 2345 HIS 486 CA 0.0017 0.0120 0.0062 2346 HIS 486 HA 0.0018 0.0128 0.0069 2347 HIS 486 C 0.0009 0.0110 0.0070 2348 HIS 486 O 0.0007 0.0098 0.0064 2349 HIS 486 CB 0.0019 0.0112 0.0051 2350 HIS 486 HB2 0.0018 0.0103 0.0044 2351 HIS 486 HB3 0.0025 0.0120 0.0045 2352 HIS 486 CG 0.0013 0.0106 0.0058 2353 HIS 486 ND1 0.0008 0.0109 0.0072 2354 HIS 486 HD1 0.0008 0.0116 0.0079 2355 HIS 486 CD2 0.0012 0.0096 0.0051 2356 HIS 486 HD2 0.0014 0.0091 0.0040 2357 HIS 486 CE1 0.0004 0.0102 0.0073 2358 HIS 486 HE1 -0.0001 0.0102 0.0083 2359 HIS 486 NE2 0.0006 0.0094 0.0061 2360 HIS 486 HE2 0.0004 0.0086 0.0059 2361 PRO 487 N 0.0001 0.0113 0.0082 2362 PRO 487 CA -0.0008 0.0103 0.0091 2363 PRO 487 HA -0.0007 0.0102 0.0088 2364 PRO 487 C -0.0014 0.0088 0.0089 2365 PRO 487 O -0.0020 0.0078 0.0091 2366 PRO 487 CB -0.0012 0.0111 0.0106 2367 PRO 487 HB2 -0.0015 0.0108 0.0110 2368 PRO 487 HB3 -0.0017 0.0109 0.0113 2369 PRO 487 CG -0.0004 0.0127 0.0105 2370 PRO 487 HG2 -0.0003 0.0131 0.0106 2371 PRO 487 HG3 -0.0006 0.0133 0.0114 2372 PRO 487 CD 0.0003 0.0127 0.0091 2373 PRO 487 HD2 0.0009 0.0136 0.0086 2374 PRO 487 HD3 0.0004 0.0129 0.0091 2375 ASN 488 N -0.0013 0.0086 0.0084 2376 ASN 488 HN -0.0008 0.0095 0.0083 2377 ASN 488 CA -0.0017 0.0073 0.0081 2378 ASN 488 HA -0.0024 0.0066 0.0087 2379 ASN 488 C -0.0013 0.0066 0.0065 2380 ASN 488 O -0.0005 0.0072 0.0056 2381 ASN 488 CB -0.0018 0.0074 0.0084 2382 ASN 488 HB2 -0.0023 0.0064 0.0084 2383 ASN 488 HB3 -0.0012 0.0078 0.0075 2384 ASN 488 CG -0.0020 0.0085 0.0097 2385 ASN 488 OD1 -0.0014 0.0098 0.0098 2386 ASN 488 ND2 -0.0027 0.0080 0.0108 2387 ASN 488 HD21 -0.0029 0.0086 0.0116 2388 ASN 488 HD22 -0.0032 0.0069 0.0106 2389 LYS 489 N -0.0021 0.0052 0.0063 2390 LYS 489 HN -0.0028 0.0048 0.0070 2391 LYS 489 CA -0.0018 0.0042 0.0051 2392 LYS 489 HA -0.0011 0.0045 0.0043 2393 LYS 489 C -0.0018 0.0040 0.0048 2394 LYS 489 O -0.0024 0.0038 0.0057 2395 LYS 489 CB -0.0026 0.0028 0.0052 2396 LYS 489 HB2 -0.0027 0.0030 0.0054 2397 LYS 489 HB3 -0.0033 0.0026 0.0060 2398 LYS 489 CG -0.0025 0.0016 0.0040 2399 LYS 489 HG2 -0.0023 0.0015 0.0037 2400 LYS 489 HG3 -0.0020 0.0017 0.0033 2401 LYS 489 CD -0.0035 0.0003 0.0044 2402 LYS 489 HD2 -0.0041 0.0002 0.0052 2403 LYS 489 HD3 -0.0038 0.0003 0.0048 2404 LYS 489 CE -0.0035 -0.0011 0.0034 2405 LYS 489 HE2 -0.0032 -0.0012 0.0027 2406 LYS 489 HE3 -0.0031 -0.0010 0.0028 2407 LYS 489 NZ -0.0045 -0.0022 0.0039 2408 LYS 489 HZ1 -0.0050 -0.0022 0.0046 2409 LYS 489 HZ2 -0.0045 -0.0031 0.0031 2410 LYS 489 HZ3 -0.0048 -0.0022 0.0042 2411 LEU 490 N -0.0010 0.0039 0.0037 2412 LEU 490 HN -0.0004 0.0042 0.0031 2413 LEU 490 CA -0.0008 0.0036 0.0031 2414 LEU 490 HA -0.0004 0.0046 0.0033 2415 LEU 490 C -0.0017 0.0027 0.0037 2416 LEU 490 O -0.0018 0.0031 0.0042 2417 LEU 490 CB -0.0000 0.0031 0.0016 2418 LEU 490 HB2 0.0006 0.0038 0.0013 2419 LEU 490 HB3 -0.0004 0.0021 0.0014 2420 LEU 490 CG 0.0005 0.0030 0.0008 2421 LEU 490 HG 0.0007 0.0039 0.0012 2422 LEU 490 CD1 0.0014 0.0030 -0.0006 2423 LEU 490 HD11 0.0013 0.0020 -0.0011 2424 LEU 490 HD12 0.0019 0.0039 -0.0006 2425 LEU 490 HD13 0.0018 0.0030 -0.0011 2426 LEU 490 CD2 -0.0002 0.0018 0.0008 2427 LEU 490 HD21 -0.0005 0.0008 0.0004 2428 LEU 490 HD22 0.0002 0.0018 0.0002 2429 LEU 490 HD23 -0.0008 0.0019 0.0018 2430 ASP 491 N -0.0022 0.0016 0.0036 2431 ASP 491 HN -0.0021 0.0014 0.0032 2432 ASP 491 CA -0.0031 0.0006 0.0042 2433 ASP 491 HA -0.0029 0.0000 0.0036 2434 ASP 491 C -0.0036 0.0011 0.0054 2435 ASP 491 O -0.0039 0.0008 0.0056 2436 ASP 491 CB -0.0035 -0.0003 0.0043 2437 ASP 491 HB2 -0.0038 0.0002 0.0051 2438 ASP 491 HB3 -0.0030 -0.0004 0.0035 2439 ASP 491 CG -0.0042 -0.0017 0.0044 2440 ASP 491 OD1 -0.0043 -0.0022 0.0042 2441 ASP 491 OD2 -0.0046 -0.0022 0.0048 2442 LEU 492 N -0.0037 0.0021 0.0062 2443 LEU 492 HN -0.0034 0.0024 0.0060 2444 LEU 492 CA -0.0042 0.0028 0.0074 2445 LEU 492 HA -0.0048 0.0020 0.0079 2446 LEU 492 C -0.0038 0.0036 0.0073 2447 LEU 492 O -0.0042 0.0034 0.0078 2448 LEU 492 CB -0.0043 0.0036 0.0081 2449 LEU 492 HB2 -0.0037 0.0044 0.0076 2450 LEU 492 HB3 -0.0047 0.0041 0.0090 2451 LEU 492 CG -0.0048 0.0029 0.0083 2452 LEU 492 HG -0.0045 0.0023 0.0075 2453 LEU 492 CD1 -0.0047 0.0039 0.0088 2454 LEU 492 HD11 -0.0050 0.0045 0.0097 2455 LEU 492 HD12 -0.0040 0.0046 0.0082 2456 LEU 492 HD13 -0.0049 0.0034 0.0089 2457 LEU 492 CD2 -0.0057 0.0020 0.0092 2458 LEU 492 HD21 -0.0061 0.0025 0.0101 2459 LEU 492 HD22 -0.0060 0.0015 0.0093 2460 LEU 492 HD23 -0.0058 0.0012 0.0088 2461 ASP 493 N -0.0027 0.0043 0.0064 2462 ASP 493 HN -0.0024 0.0044 0.0061 2463 ASP 493 CA -0.0022 0.0050 0.0062 2464 ASP 493 HA -0.0024 0.0055 0.0069 2465 ASP 493 C -0.0023 0.0043 0.0058 2466 ASP 493 O -0.0024 0.0045 0.0062 2467 ASP 493 CB -0.0014 0.0057 0.0054 2468 ASP 493 HB2 -0.0011 0.0061 0.0053 2469 ASP 493 HB3 -0.0012 0.0051 0.0047 2470 ASP 493 CG -0.0012 0.0066 0.0058 2471 ASP 493 OD1 -0.0017 0.0066 0.0067 2472 ASP 493 OD2 -0.0005 0.0072 0.0053 2473 SER 494 N -0.0023 0.0033 0.0050 2474 SER 494 HN -0.0021 0.0032 0.0047 2475 SER 494 CA -0.0024 0.0025 0.0046 2476 SER 494 HA -0.0021 0.0029 0.0044 2477 SER 494 C -0.0032 0.0019 0.0054 2478 SER 494 O -0.0033 0.0018 0.0054 2479 SER 494 CB -0.0022 0.0016 0.0037 2480 SER 494 HB2 -0.0024 0.0010 0.0034 2481 SER 494 HB3 -0.0026 0.0012 0.0039 2482 SER 494 OG -0.0015 0.0021 0.0029 2483 SER 494 HG -0.0012 0.0024 0.0027 2484 LEU 495 N -0.0034 0.0014 0.0059 2485 LEU 495 HN -0.0034 0.0013 0.0059 2486 LEU 495 CA -0.0040 0.0011 0.0064 2487 LEU 495 HA -0.0040 0.0006 0.0062 2488 LEU 495 C -0.0042 0.0018 0.0068 2489 LEU 495 O -0.0043 0.0016 0.0068 2490 LEU 495 CB -0.0046 0.0008 0.0068 2491 LEU 495 HB2 -0.0044 0.0010 0.0067 2492 LEU 495 HB3 -0.0050 0.0011 0.0073 2493 LEU 495 CG -0.0049 -0.0002 0.0067 2494 LEU 495 HG -0.0053 -0.0003 0.0070 2495 LEU 495 CD1 -0.0053 -0.0005 0.0069 2496 LEU 495 HD11 -0.0049 -0.0004 0.0066 2497 LEU 495 HD12 -0.0056 -0.0001 0.0074 2498 LEU 495 HD13 -0.0055 -0.0011 0.0069 2499 LEU 495 CD2 -0.0044 -0.0007 0.0061 2500 LEU 495 HD21 -0.0040 -0.0006 0.0057 2501 LEU 495 HD22 -0.0047 -0.0013 0.0060 2502 LEU 495 HD23 -0.0042 -0.0005 0.0059 2503 LEU 496 N -0.0042 0.0025 0.0071 2504 LEU 496 HN -0.0040 0.0026 0.0070 2505 LEU 496 CA -0.0042 0.0033 0.0075 2506 LEU 496 HA -0.0047 0.0033 0.0079 2507 LEU 496 C -0.0043 0.0033 0.0075 2508 LEU 496 O -0.0047 0.0035 0.0080 2509 LEU 496 CB -0.0037 0.0040 0.0073 2510 LEU 496 HB2 -0.0038 0.0040 0.0073 2511 LEU 496 HB3 -0.0033 0.0040 0.0068 2512 LEU 496 CG -0.0038 0.0049 0.0077 2513 LEU 496 HG -0.0038 0.0050 0.0077 2514 LEU 496 CD1 -0.0045 0.0051 0.0084 2515 LEU 496 HD11 -0.0045 0.0050 0.0084 2516 LEU 496 HD12 -0.0049 0.0046 0.0086 2517 LEU 496 HD13 -0.0045 0.0057 0.0087 2518 LEU 496 CD2 -0.0033 0.0056 0.0074 2519 LEU 496 HD21 -0.0033 0.0056 0.0074 2520 LEU 496 HD22 -0.0033 0.0062 0.0077 2521 LEU 496 HD23 -0.0028 0.0055 0.0070 2522 ILE 497 N -0.0038 0.0034 0.0067 2523 ILE 497 HN -0.0035 0.0033 0.0064 2524 ILE 497 CA -0.0037 0.0033 0.0066 2525 ILE 497 HA -0.0037 0.0038 0.0068 2526 ILE 497 C -0.0041 0.0029 0.0069 2527 ILE 497 O -0.0043 0.0030 0.0071 2528 ILE 497 CB -0.0033 0.0032 0.0061 2529 ILE 497 HB -0.0032 0.0029 0.0059 2530 ILE 497 CG1 -0.0028 0.0038 0.0059 2531 ILE 497 HG12 -0.0029 0.0039 0.0060 2532 ILE 497 HG13 -0.0025 0.0036 0.0055 2533 ILE 497 CG2 -0.0032 0.0030 0.0060 2534 ILE 497 HG21 -0.0033 0.0033 0.0062 2535 ILE 497 HG22 -0.0035 0.0025 0.0060 2536 ILE 497 HG23 -0.0029 0.0030 0.0056 2537 ILE 497 CD1 -0.0028 0.0043 0.0060 2538 ILE 497 HD11 -0.0031 0.0045 0.0064 2539 ILE 497 HD12 -0.0027 0.0042 0.0059 2540 ILE 497 HD13 -0.0025 0.0047 0.0059 2541 SER 498 N -0.0043 0.0023 0.0069 2542 SER 498 HN -0.0042 0.0023 0.0067 2543 SER 498 CA -0.0047 0.0019 0.0071 2544 SER 498 HA -0.0047 0.0018 0.0070 2545 SER 498 C -0.0052 0.0022 0.0076 2546 SER 498 O -0.0053 0.0021 0.0078 2547 SER 498 CB -0.0048 0.0013 0.0070 2548 SER 498 HB2 -0.0052 0.0010 0.0072 2549 SER 498 HB3 -0.0048 0.0014 0.0070 2550 SER 498 OG -0.0045 0.0009 0.0065 2551 SER 498 HG -0.0046 0.0007 0.0066 2552 PRO 499 N -0.0045 0.0030 0.0078 2553 PRO 499 CA -0.0049 0.0033 0.0079 2554 PRO 499 HA -0.0051 0.0031 0.0080 2555 PRO 499 C -0.0049 0.0038 0.0078 2556 PRO 499 O -0.0051 0.0039 0.0078 2557 PRO 499 CB -0.0053 0.0032 0.0081 2558 PRO 499 HB2 -0.0055 0.0035 0.0081 2559 PRO 499 HB3 -0.0055 0.0029 0.0082 2560 PRO 499 CG -0.0050 0.0030 0.0080 2561 PRO 499 HG2 -0.0052 0.0027 0.0081 2562 PRO 499 HG3 -0.0049 0.0033 0.0079 2563 PRO 499 CD -0.0046 0.0027 0.0079 2564 PRO 499 HD2 -0.0046 0.0024 0.0080 2565 PRO 499 HD3 -0.0043 0.0028 0.0078 2566 ILE 500 N -0.0046 0.0040 0.0076 2567 ILE 500 HN -0.0044 0.0038 0.0076 2568 ILE 500 CA -0.0046 0.0045 0.0075 2569 ILE 500 HA -0.0049 0.0046 0.0076 2570 ILE 500 C -0.0044 0.0046 0.0074 2571 ILE 500 O -0.0045 0.0050 0.0074 2572 ILE 500 CB -0.0043 0.0047 0.0074 2573 ILE 500 HB -0.0044 0.0045 0.0074 2574 ILE 500 CG1 -0.0045 0.0052 0.0073 2575 ILE 500 HG12 -0.0043 0.0054 0.0072 2576 ILE 500 HG13 -0.0045 0.0054 0.0073 2577 ILE 500 CG2 -0.0038 0.0047 0.0072 2578 ILE 500 HG21 -0.0037 0.0049 0.0071 2579 ILE 500 HG22 -0.0037 0.0043 0.0072 2580 ILE 500 HG23 -0.0037 0.0048 0.0071 2581 ILE 500 CD1 -0.0050 0.0053 0.0075 2582 ILE 500 HD11 -0.0050 0.0051 0.0075 2583 ILE 500 HD12 -0.0052 0.0052 0.0076 2584 ILE 500 HD13 -0.0050 0.0057 0.0074 2585 GLN 501 N -0.0048 0.0044 0.0071 2586 GLN 501 HN -0.0048 0.0044 0.0073 2587 GLN 501 CA -0.0046 0.0044 0.0070 2588 GLN 501 HA -0.0046 0.0044 0.0068 2589 GLN 501 C -0.0044 0.0044 0.0070 2590 GLN 501 O -0.0043 0.0044 0.0069 2591 GLN 501 CB -0.0044 0.0044 0.0071 2592 GLN 501 HB2 -0.0045 0.0044 0.0071 2593 GLN 501 HB3 -0.0044 0.0044 0.0073 2594 GLN 501 CG -0.0042 0.0044 0.0070 2595 GLN 501 HG2 -0.0041 0.0044 0.0070 2596 GLN 501 HG3 -0.0041 0.0044 0.0070 2597 GLN 501 CD -0.0042 0.0044 0.0067 2598 GLN 501 OE1 -0.0043 0.0044 0.0066 2599 GLN 501 NE2 -0.0041 0.0044 0.0066 2600 GLN 501 HE21 -0.0041 0.0044 0.0064 2601 GLN 501 HE22 -0.0041 0.0044 0.0067 2602 ARG 502 N -0.0045 0.0044 0.0072 2603 ARG 502 HN -0.0046 0.0044 0.0073 2604 ARG 502 CA -0.0044 0.0044 0.0072 2605 ARG 502 HA -0.0042 0.0044 0.0071 2606 ARG 502 C -0.0045 0.0044 0.0070 2607 ARG 502 O -0.0043 0.0044 0.0069 2608 ARG 502 CB -0.0044 0.0044 0.0074 2609 ARG 502 HB2 -0.0043 0.0044 0.0075 2610 ARG 502 HB3 -0.0046 0.0044 0.0075 2611 ARG 502 CG -0.0043 0.0044 0.0074 2612 ARG 502 HG2 -0.0044 0.0044 0.0074 2613 ARG 502 HG3 -0.0043 0.0044 0.0076 2614 ARG 502 CD -0.0040 0.0044 0.0073 2615 ARG 502 HD2 -0.0039 0.0045 0.0074 2616 ARG 502 HD3 -0.0040 0.0044 0.0072 2617 ARG 502 NE -0.0040 0.0045 0.0074 2618 ARG 502 HE -0.0040 0.0044 0.0073 2619 ARG 502 CZ -0.0038 0.0045 0.0076 2620 ARG 502 NH1 -0.0038 0.0045 0.0077 2621 ARG 502 HH11 -0.0038 0.0045 0.0077 2622 ARG 502 HH12 -0.0037 0.0045 0.0079 2623 ARG 502 NH2 -0.0038 0.0045 0.0076 2624 ARG 502 HH21 -0.0039 0.0045 0.0076 2625 ARG 502 HH22 -0.0037 0.0045 0.0078 2626 VAL 503 N -0.0042 0.0056 0.0066 2627 VAL 503 HN -0.0043 0.0054 0.0069 2628 VAL 503 CA -0.0045 0.0055 0.0062 2629 VAL 503 HA -0.0046 0.0055 0.0061 2630 VAL 503 C -0.0044 0.0058 0.0058 2631 VAL 503 O -0.0045 0.0059 0.0055 2632 VAL 503 CB -0.0048 0.0051 0.0063 2633 VAL 503 HB -0.0047 0.0051 0.0066 2634 VAL 503 CG1 -0.0050 0.0048 0.0066 2635 VAL 503 HG11 -0.0051 0.0048 0.0063 2636 VAL 503 HG12 -0.0052 0.0045 0.0067 2637 VAL 503 HG13 -0.0048 0.0048 0.0069 2638 VAL 503 CG2 -0.0051 0.0050 0.0059 2639 VAL 503 HG21 -0.0053 0.0050 0.0056 2640 VAL 503 HG22 -0.0050 0.0052 0.0057 2641 VAL 503 HG23 -0.0054 0.0047 0.0060 2642 PRO 504 N -0.0042 0.0060 0.0059 2643 PRO 504 CA -0.0042 0.0062 0.0055 2644 PRO 504 HA -0.0044 0.0061 0.0053 2645 PRO 504 C -0.0040 0.0066 0.0053 2646 PRO 504 O -0.0041 0.0067 0.0048 2647 PRO 504 CB -0.0040 0.0063 0.0058 2648 PRO 504 HB2 -0.0037 0.0066 0.0059 2649 PRO 504 HB3 -0.0040 0.0064 0.0055 2650 PRO 504 CG -0.0041 0.0060 0.0062 2651 PRO 504 HG2 -0.0043 0.0058 0.0061 2652 PRO 504 HG3 -0.0038 0.0061 0.0065 2653 PRO 504 CD -0.0041 0.0058 0.0063 2654 PRO 504 HD2 -0.0044 0.0055 0.0064 2655 PRO 504 HD3 -0.0039 0.0059 0.0066 2656 ARG 505 N -0.0033 0.0067 0.0050 2657 ARG 505 HN -0.0032 0.0066 0.0051 2658 ARG 505 CA -0.0033 0.0069 0.0049 2659 ARG 505 HA -0.0032 0.0070 0.0048 2660 ARG 505 C -0.0034 0.0069 0.0047 2661 ARG 505 O -0.0034 0.0070 0.0046 2662 ARG 505 CB -0.0031 0.0068 0.0051 2663 ARG 505 HB2 -0.0030 0.0068 0.0052 2664 ARG 505 HB3 -0.0032 0.0067 0.0051 2665 ARG 505 CG -0.0030 0.0070 0.0050 2666 ARG 505 HG2 -0.0029 0.0071 0.0050 2667 ARG 505 HG3 -0.0031 0.0071 0.0049 2668 ARG 505 CD -0.0029 0.0069 0.0051 2669 ARG 505 HD2 -0.0028 0.0069 0.0053 2670 ARG 505 HD3 -0.0028 0.0071 0.0051 2671 ARG 505 NE -0.0031 0.0068 0.0051 2672 ARG 505 HE -0.0033 0.0067 0.0050 2673 ARG 505 CZ -0.0031 0.0068 0.0051 2674 ARG 505 NH1 -0.0030 0.0069 0.0052 2675 ARG 505 HH11 -0.0028 0.0070 0.0052 2676 ARG 505 HH12 -0.0030 0.0069 0.0052 2677 ARG 505 NH2 -0.0033 0.0066 0.0051 2678 ARG 505 HH21 -0.0034 0.0066 0.0051 2679 ARG 505 HH22 -0.0033 0.0066 0.0051 2680 TYR 506 N -0.0036 0.0067 0.0048 2681 TYR 506 HN -0.0036 0.0066 0.0049 2682 TYR 506 CA -0.0038 0.0066 0.0046 2683 TYR 506 HA -0.0038 0.0067 0.0046 2684 TYR 506 C -0.0039 0.0067 0.0045 2685 TYR 506 O -0.0040 0.0068 0.0043 2686 TYR 506 CB -0.0039 0.0064 0.0047 2687 TYR 506 HB2 -0.0040 0.0063 0.0048 2688 TYR 506 HB3 -0.0041 0.0064 0.0046 2689 TYR 506 CG -0.0038 0.0064 0.0049 2690 TYR 506 CD1 -0.0038 0.0064 0.0048 2691 TYR 506 HD1 -0.0039 0.0065 0.0047 2692 TYR 506 CD2 -0.0038 0.0062 0.0051 2693 TYR 506 HD2 -0.0038 0.0062 0.0051 2694 TYR 506 CE1 -0.0038 0.0063 0.0050 2695 TYR 506 HE1 -0.0038 0.0064 0.0049 2696 TYR 506 CE2 -0.0037 0.0061 0.0052 2697 TYR 506 HE2 -0.0037 0.0060 0.0054 2698 TYR 506 CZ -0.0037 0.0062 0.0052 2699 TYR 506 OH -0.0037 0.0061 0.0053 2700 TYR 506 HH -0.0038 0.0060 0.0052 2701 GLU 507 N -0.0034 0.0075 0.0033 2702 GLU 507 HN -0.0036 0.0075 0.0037 2703 GLU 507 CA -0.0036 0.0070 0.0030 2704 GLU 507 HA -0.0035 0.0067 0.0026 2705 GLU 507 C -0.0034 0.0071 0.0027 2706 GLU 507 O -0.0033 0.0069 0.0022 2707 GLU 507 CB -0.0039 0.0065 0.0036 2708 GLU 507 HB2 -0.0040 0.0066 0.0039 2709 GLU 507 HB3 -0.0040 0.0067 0.0039 2710 GLU 507 CG -0.0042 0.0058 0.0034 2711 GLU 507 HG2 -0.0045 0.0055 0.0039 2712 GLU 507 HG3 -0.0042 0.0056 0.0031 2713 GLU 507 CD -0.0041 0.0056 0.0030 2714 GLU 507 OE1 -0.0042 0.0057 0.0033 2715 GLU 507 OE2 -0.0041 0.0053 0.0024 2716 LEU 508 N -0.0033 0.0076 0.0031 2717 LEU 508 HN -0.0034 0.0077 0.0036 2718 LEU 508 CA -0.0032 0.0078 0.0029 2719 LEU 508 HA -0.0033 0.0074 0.0027 2720 LEU 508 C -0.0028 0.0083 0.0024 2721 LEU 508 O -0.0026 0.0082 0.0019 2722 LEU 508 CB -0.0032 0.0082 0.0036 2723 LEU 508 HB2 -0.0031 0.0086 0.0038 2724 LEU 508 HB3 -0.0031 0.0084 0.0034 2725 LEU 508 CG -0.0036 0.0078 0.0041 2726 LEU 508 HG -0.0037 0.0076 0.0043 2727 LEU 508 CD1 -0.0036 0.0082 0.0047 2728 LEU 508 HD11 -0.0034 0.0084 0.0045 2729 LEU 508 HD12 -0.0035 0.0086 0.0050 2730 LEU 508 HD13 -0.0039 0.0079 0.0051 2731 LEU 508 CD2 -0.0038 0.0071 0.0039 2732 LEU 508 HD21 -0.0036 0.0072 0.0035 2733 LEU 508 HD22 -0.0040 0.0069 0.0043 2734 LEU 508 HD23 -0.0039 0.0067 0.0037 2735 ILE 509 N -0.0016 0.0090 0.0015 2736 ILE 509 HN -0.0018 0.0091 0.0018 2737 ILE 509 CA -0.0013 0.0094 0.0009 2738 ILE 509 HA -0.0012 0.0096 0.0009 2739 ILE 509 C -0.0011 0.0090 0.0002 2740 ILE 509 O -0.0009 0.0091 -0.0002 2741 ILE 509 CB -0.0012 0.0101 0.0010 2742 ILE 509 HB -0.0014 0.0102 0.0015 2743 ILE 509 CG1 -0.0009 0.0108 0.0008 2744 ILE 509 HG12 -0.0010 0.0108 0.0011 2745 ILE 509 HG13 -0.0008 0.0112 0.0010 2746 ILE 509 CG2 -0.0010 0.0100 0.0007 2747 ILE 509 HG21 -0.0008 0.0099 0.0001 2748 ILE 509 HG22 -0.0012 0.0095 0.0008 2749 ILE 509 HG23 -0.0010 0.0105 0.0008 2750 ILE 509 CD1 -0.0006 0.0108 0.0001 2751 ILE 509 HD11 -0.0006 0.0104 -0.0001 2752 ILE 509 HD12 -0.0004 0.0107 -0.0002 2753 ILE 509 HD13 -0.0004 0.0113 0.0000 2754 VAL 510 N -0.0013 0.0084 0.0002 2755 VAL 510 HN -0.0015 0.0084 0.0006 2756 VAL 510 CA -0.0012 0.0078 -0.0003 2757 VAL 510 HA -0.0010 0.0080 -0.0007 2758 VAL 510 C -0.0013 0.0075 -0.0003 2759 VAL 510 O -0.0010 0.0074 -0.0009 2760 VAL 510 CB -0.0014 0.0073 -0.0001 2761 VAL 510 HB -0.0017 0.0071 0.0004 2762 VAL 510 CG1 -0.0013 0.0077 -0.0001 2763 VAL 510 HG11 -0.0011 0.0079 -0.0006 2764 VAL 510 HG12 -0.0015 0.0073 0.0000 2765 VAL 510 HG13 -0.0014 0.0081 0.0003 2766 VAL 510 CG2 -0.0014 0.0066 -0.0006 2767 VAL 510 HG21 -0.0011 0.0068 -0.0011 2768 VAL 510 HG22 -0.0015 0.0063 -0.0006 2769 VAL 510 HG23 -0.0015 0.0063 -0.0005 2770 LYS 511 N -0.0017 0.0078 -0.0004 2771 LYS 511 HN -0.0019 0.0079 0.0002 2772 LYS 511 CA -0.0018 0.0073 -0.0004 2773 LYS 511 HA -0.0019 0.0066 -0.0008 2774 LYS 511 C -0.0015 0.0078 -0.0009 2775 LYS 511 O -0.0014 0.0073 -0.0015 2776 LYS 511 CB -0.0023 0.0071 0.0006 2777 LYS 511 HB2 -0.0026 0.0070 0.0010 2778 LYS 511 HB3 -0.0023 0.0078 0.0010 2779 LYS 511 CG -0.0027 0.0062 0.0007 2780 LYS 511 HG2 -0.0030 0.0062 0.0014 2781 LYS 511 HG3 -0.0025 0.0064 0.0003 2782 LYS 511 CD -0.0028 0.0052 0.0002 2783 LYS 511 HD2 -0.0025 0.0052 -0.0006 2784 LYS 511 HD3 -0.0031 0.0047 0.0004 2785 LYS 511 CE -0.0030 0.0049 0.0005 2786 LYS 511 HE2 -0.0027 0.0054 0.0002 2787 LYS 511 HE3 -0.0031 0.0042 0.0001 2788 LYS 511 NZ -0.0034 0.0050 0.0015 2789 LYS 511 HZ1 -0.0034 0.0057 0.0018 2790 LYS 511 HZ2 -0.0034 0.0051 0.0016 2791 LYS 511 HZ3 -0.0038 0.0044 0.0018 2792 GLN 512 N -0.0013 0.0088 -0.0006 2793 GLN 512 HN -0.0014 0.0091 -0.0001 2794 GLN 512 CA -0.0009 0.0094 -0.0010 2795 GLN 512 HA -0.0011 0.0090 -0.0008 2796 GLN 512 C -0.0004 0.0093 -0.0021 2797 GLN 512 O -0.0003 0.0090 -0.0025 2798 GLN 512 CB -0.0008 0.0104 -0.0004 2799 GLN 512 HB2 -0.0006 0.0108 -0.0007 2800 GLN 512 HB3 -0.0011 0.0104 0.0003 2801 GLN 512 CG -0.0005 0.0111 -0.0005 2802 GLN 512 HG2 -0.0002 0.0113 -0.0012 2803 GLN 512 HG3 -0.0008 0.0107 -0.0003 2804 GLN 512 CD -0.0005 0.0121 0.0002 2805 GLN 512 OE1 -0.0009 0.0121 0.0011 2806 GLN 512 NE2 -0.0001 0.0129 -0.0001 2807 GLN 512 HE21 -0.0001 0.0135 0.0003 2808 GLN 512 HE22 0.0002 0.0128 -0.0008 2809 MET 513 N 0.0024 0.0101 -0.0035 2810 MET 513 HN 0.0022 0.0103 -0.0030 2811 MET 513 CA 0.0028 0.0100 -0.0046 2812 MET 513 HA 0.0033 0.0105 -0.0049 2813 MET 513 C 0.0026 0.0089 -0.0052 2814 MET 513 O 0.0030 0.0088 -0.0061 2815 MET 513 CB 0.0030 0.0102 -0.0046 2816 MET 513 HB2 0.0034 0.0101 -0.0054 2817 MET 513 HB3 0.0026 0.0097 -0.0043 2818 MET 513 CG 0.0033 0.0113 -0.0041 2819 MET 513 HG2 0.0029 0.0114 -0.0033 2820 MET 513 HG3 0.0037 0.0118 -0.0044 2821 MET 513 SD 0.0035 0.0115 -0.0042 2822 MET 513 CE 0.0037 0.0127 -0.0035 2823 MET 513 HE1 0.0039 0.0130 -0.0035 2824 MET 513 HE2 0.0033 0.0127 -0.0028 2825 MET 513 HE3 0.0041 0.0132 -0.0038 2826 LEU 514 N 0.0020 0.0082 -0.0048 2827 LEU 514 HN 0.0017 0.0083 -0.0041 2828 LEU 514 CA 0.0017 0.0071 -0.0052 2829 LEU 514 HA 0.0020 0.0070 -0.0059 2830 LEU 514 C 0.0016 0.0067 -0.0054 2831 LEU 514 O 0.0017 0.0061 -0.0062 2832 LEU 514 CB 0.0011 0.0066 -0.0045 2833 LEU 514 HB2 0.0008 0.0069 -0.0037 2834 LEU 514 HB3 0.0007 0.0058 -0.0046 2835 LEU 514 CG 0.0011 0.0065 -0.0047 2836 LEU 514 HG 0.0011 0.0059 -0.0053 2837 LEU 514 CD1 0.0017 0.0074 -0.0049 2838 LEU 514 HD11 0.0017 0.0080 -0.0043 2839 LEU 514 HD12 0.0021 0.0076 -0.0056 2840 LEU 514 HD13 0.0017 0.0072 -0.0050 2841 LEU 514 CD2 0.0005 0.0062 -0.0038 2842 LEU 514 HD21 0.0004 0.0068 -0.0031 2843 LEU 514 HD22 0.0005 0.0061 -0.0039 2844 LEU 514 HD23 0.0001 0.0055 -0.0036 2845 LYS 515 N 0.0015 0.0071 -0.0046 2846 LYS 515 HN 0.0010 0.0084 -0.0032 2847 LYS 515 CA 0.0012 0.0063 -0.0047 2848 LYS 515 HA 0.0010 0.0044 -0.0056 2849 LYS 515 C 0.0027 0.0075 -0.0062 2850 LYS 515 O 0.0027 0.0085 -0.0056 2851 LYS 515 CB -0.0004 0.0063 -0.0025 2852 LYS 515 HB2 -0.0014 0.0052 -0.0017 2853 LYS 515 HB3 -0.0003 0.0082 -0.0015 2854 LYS 515 CG -0.0009 0.0054 -0.0023 2855 LYS 515 HG2 -0.0022 0.0050 -0.0007 2856 LYS 515 HG3 -0.0002 0.0070 -0.0023 2857 LYS 515 CD -0.0006 0.0033 -0.0041 2858 LYS 515 HD2 0.0007 0.0039 -0.0056 2859 LYS 515 HD3 -0.0013 0.0028 -0.0034 2860 LYS 515 CE -0.0011 0.0011 -0.0047 2861 LYS 515 HE2 -0.0023 0.0007 -0.0032 2862 LYS 515 HE3 -0.0002 0.0012 -0.0059 2863 LYS 515 NZ -0.0014 -0.0011 -0.0056 2864 LYS 515 HZ1 -0.0025 -0.0014 -0.0042 2865 LYS 515 HZ2 -0.0017 -0.0026 -0.0061 2866 LYS 515 HZ3 -0.0005 -0.0007 -0.0068 2867 HIS 516 N 0.0040 0.0073 -0.0082 2868 HIS 516 HN 0.0039 0.0065 -0.0086 2869 HIS 516 CA 0.0057 0.0085 -0.0098 2870 HIS 516 HA 0.0056 0.0085 -0.0096 2871 HIS 516 C 0.0065 0.0068 -0.0120 2872 HIS 516 O 0.0068 0.0067 -0.0125 2873 HIS 516 CB 0.0065 0.0111 -0.0094 2874 HIS 516 HB2 0.0070 0.0110 -0.0101 2875 HIS 516 HB3 0.0057 0.0118 -0.0077 2876 HIS 516 CG 0.0079 0.0129 -0.0102 2877 HIS 516 ND1 0.0076 0.0135 -0.0095 2878 HIS 516 HD1 0.0066 0.0128 -0.0084 2879 HIS 516 CD2 0.0094 0.0143 -0.0115 2880 HIS 516 HD2 0.0101 0.0143 -0.0125 2881 HIS 516 CE1 0.0090 0.0152 -0.0103 2882 HIS 516 HE1 0.0092 0.0160 -0.0102 2883 HIS 516 NE2 0.0101 0.0157 -0.0116 2884 HIS 516 HE2 0.0114 0.0167 -0.0128 2885 THR 517 N 0.0085 0.0049 -0.0143 2886 THR 517 HN 0.0078 0.0047 -0.0137 2887 THR 517 CA 0.0100 0.0020 -0.0169 2888 THR 517 HA 0.0102 0.0023 -0.0169 2889 THR 517 C 0.0135 0.0028 -0.0196 2890 THR 517 O 0.0139 0.0015 -0.0206 2891 THR 517 CB 0.0081 -0.0024 -0.0171 2892 THR 517 HB 0.0077 -0.0030 -0.0171 2893 THR 517 OG1 0.0050 -0.0031 -0.0148 2894 THR 517 HG1 0.0040 -0.0058 -0.0151 2895 THR 517 CG2 0.0097 -0.0053 -0.0199 2896 THR 517 HG21 0.0101 -0.0048 -0.0200 2897 THR 517 HG22 0.0121 -0.0051 -0.0219 2898 THR 517 HG23 0.0082 -0.0084 -0.0200 2899 PRO 518 N 0.0161 0.0049 -0.0210 2900 PRO 518 CA 0.0195 0.0053 -0.0237 2901 PRO 518 HA 0.0198 0.0060 -0.0237 2902 PRO 518 C 0.0207 0.0017 -0.0264 2903 PRO 518 O 0.0212 0.0006 -0.0273 2904 PRO 518 CB 0.0214 0.0090 -0.0238 2905 PRO 518 HB2 0.0239 0.0088 -0.0260 2906 PRO 518 HB3 0.0216 0.0116 -0.0228 2907 PRO 518 CG 0.0194 0.0090 -0.0220 2908 PRO 518 HG2 0.0198 0.0120 -0.0210 2909 PRO 518 HG3 0.0199 0.0070 -0.0234 2910 PRO 518 CD 0.0159 0.0073 -0.0197 2911 PRO 518 HD2 0.0149 0.0098 -0.0177 2912 PRO 518 HD3 0.0144 0.0056 -0.0191 2913 VAL 519 N 0.0230 -0.0003 -0.0295 2914 VAL 519 HN 0.0225 0.0008 -0.0286 2915 VAL 519 CA 0.0256 -0.0044 -0.0332 2916 VAL 519 HA 0.0282 -0.0029 -0.0345 2917 VAL 519 C 0.0283 -0.0045 -0.0353 2918 VAL 519 CB 0.0230 -0.0100 -0.0337 2919 VAL 519 HB 0.0216 -0.0092 -0.0324 2920 VAL 519 CG1 0.0264 -0.0136 -0.0379 2921 VAL 519 HG11 0.0278 -0.0147 -0.0394 2922 VAL 519 HG12 0.0246 -0.0173 -0.0382 2923 VAL 519 HG13 0.0294 -0.0116 -0.0392 2924 VAL 519 CG2 0.0187 -0.0128 -0.0318 2925 VAL 519 HG21 0.0197 -0.0134 -0.0328 2926 VAL 519 HG22 0.0160 -0.0106 -0.0288 2927 VAL 519 HG23 0.0172 -0.0168 -0.0325 2928 VAL 519 O 0.0262 -0.0049 -0.0339 2929 GLU 520 N 0.0329 -0.0041 -0.0386 2930 GLU 520 HN 0.0339 -0.0048 -0.0396 2931 GLU 520 CA 0.0369 -0.0025 -0.0408 2932 GLU 520 HA 0.0391 0.0005 -0.0412 2933 GLU 520 C 0.0363 0.0001 -0.0392 2934 GLU 520 O 0.0340 -0.0023 -0.0386 2935 GLU 520 CB 0.0398 -0.0068 -0.0449 2936 GLU 520 HB2 0.0391 -0.0096 -0.0456 2937 GLU 520 HB3 0.0386 -0.0091 -0.0450 2938 GLU 520 CG 0.0451 -0.0044 -0.0478 2939 GLU 520 HG2 0.0463 -0.0030 -0.0481 2940 GLU 520 HG3 0.0460 -0.0010 -0.0470 2941 GLU 520 CD 0.0478 -0.0084 -0.0516 2942 GLU 520 OE1 0.0477 -0.0124 -0.0533 2943 GLU 520 OE2 0.0500 -0.0076 -0.0529 2944 HIS 521 N 0.0377 0.0046 -0.0393 2945 HIS 521 HN 0.0395 0.0064 -0.0400 2946 HIS 521 CA 0.0377 0.0082 -0.0378 2947 HIS 521 HA 0.0405 0.0116 -0.0386 2948 HIS 521 C 0.0335 0.0104 -0.0335 2949 HIS 521 O 0.0339 0.0153 -0.0317 2950 HIS 521 CB 0.0387 0.0059 -0.0395 2951 HIS 521 HB2 0.0392 0.0091 -0.0386 2952 HIS 521 HB3 0.0356 0.0028 -0.0384 2953 HIS 521 CG 0.0427 0.0034 -0.0438 2954 HIS 521 ND1 0.0471 0.0062 -0.0461 2955 HIS 521 HD1 0.0482 0.0101 -0.0453 2956 HIS 521 CD2 0.0427 -0.0017 -0.0460 2957 HIS 521 HD2 0.0399 -0.0050 -0.0451 2958 HIS 521 CE1 0.0498 0.0029 -0.0496 2959 HIS 521 HE1 0.0535 0.0040 -0.0521 2960 HIS 521 NE2 0.0472 -0.0019 -0.0496 2961 HIS 521 HE2 0.0482 -0.0048 -0.0517 2962 GLU 522 N 0.0293 0.0070 -0.0316 2963 GLU 522 HN 0.0291 0.0030 -0.0331 2964 GLU 522 CA 0.0250 0.0084 -0.0275 2965 GLU 522 HA 0.0255 0.0119 -0.0265 2966 GLU 522 C 0.0231 0.0098 -0.0255 2967 GLU 522 O 0.0226 0.0065 -0.0265 2968 GLU 522 CB 0.0212 0.0037 -0.0265 2969 GLU 522 HB2 0.0205 0.0006 -0.0273 2970 GLU 522 HB3 0.0180 0.0051 -0.0234 2971 GLU 522 CG 0.0221 0.0009 -0.0285 2972 GLU 522 HG2 0.0256 0.0004 -0.0315 2973 GLU 522 HG3 0.0215 0.0032 -0.0270 2974 GLU 522 CD 0.0189 -0.0047 -0.0282 2975 GLU 522 OE1 0.0146 -0.0051 -0.0251 2976 GLU 522 OE2 0.0205 -0.0087 -0.0312 2977 ASP 523 N 0.0211 0.0119 -0.0231 2978 ASP 523 HN 0.0219 0.0145 -0.0227 2979 ASP 523 CA 0.0187 0.0125 -0.0206 2980 ASP 523 HA 0.0184 0.0100 -0.0214 2981 ASP 523 C 0.0153 0.0119 -0.0176 2982 ASP 523 O 0.0143 0.0150 -0.0153 2983 ASP 523 CB 0.0201 0.0167 -0.0201 2984 ASP 523 HB2 0.0226 0.0167 -0.0224 2985 ASP 523 HB3 0.0184 0.0168 -0.0184 2986 ASP 523 CG 0.0207 0.0207 -0.0188 2987 ASP 523 OD1 0.0224 0.0211 -0.0202 2988 ASP 523 OD2 0.0193 0.0234 -0.0163 2989 ARG 524 N 0.0134 0.0079 -0.0176 2990 ARG 524 HN 0.0141 0.0055 -0.0194 2991 ARG 524 CA 0.0106 0.0068 -0.0155 2992 ARG 524 HA 0.0114 0.0091 -0.0152 2993 ARG 524 C 0.0072 0.0073 -0.0121 2994 ARG 524 O 0.0062 0.0062 -0.0117 2995 ARG 524 CB 0.0102 0.0024 -0.0170 2996 ARG 524 HB2 0.0082 0.0020 -0.0154 2997 ARG 524 HB3 0.0126 0.0026 -0.0193 2998 ARG 524 CG 0.0093 -0.0014 -0.0179 2999 ARG 524 HG2 0.0066 -0.0020 -0.0157 3000 ARG 524 HG3 0.0109 -0.0007 -0.0191 3001 ARG 524 CD 0.0097 -0.0056 -0.0201 3002 ARG 524 HD2 0.0082 -0.0063 -0.0191 3003 ARG 524 HD3 0.0087 -0.0083 -0.0204 3004 ARG 524 NE 0.0133 -0.0052 -0.0234 3005 ARG 524 HE 0.0141 -0.0046 -0.0239 3006 ARG 524 CZ 0.0156 -0.0058 -0.0258 3007 ARG 524 NH1 0.0153 -0.0054 -0.0254 3008 ARG 524 HH11 0.0138 -0.0038 -0.0232 3009 ARG 524 HH12 0.0172 -0.0058 -0.0273 3010 ARG 524 NH2 0.0184 -0.0067 -0.0288 3011 ARG 524 HH21 0.0189 -0.0065 -0.0292 3012 ARG 524 HH22 0.0205 -0.0061 -0.0305 3013 GLU 525 N 0.0033 0.0087 -0.0084 3014 GLU 525 HN 0.0034 0.0096 -0.0085 3015 GLU 525 CA 0.0022 0.0086 -0.0067 3016 GLU 525 HA 0.0022 0.0082 -0.0068 3017 GLU 525 C 0.0015 0.0070 -0.0058 3018 GLU 525 O 0.0017 0.0063 -0.0062 3019 GLU 525 CB 0.0017 0.0105 -0.0057 3020 GLU 525 HB2 0.0017 0.0110 -0.0057 3021 GLU 525 HB3 0.0008 0.0103 -0.0044 3022 GLU 525 CG 0.0021 0.0123 -0.0063 3023 GLU 525 HG2 0.0029 0.0128 -0.0074 3024 GLU 525 HG3 0.0022 0.0118 -0.0064 3025 GLU 525 CD 0.0014 0.0140 -0.0050 3026 GLU 525 OE1 0.0005 0.0138 -0.0036 3027 GLU 525 OE2 0.0017 0.0154 -0.0054 3028 ARG 526 N 0.0006 0.0064 -0.0044 3029 ARG 526 HN 0.0005 0.0069 -0.0041 3030 ARG 526 CA -0.0003 0.0052 -0.0031 3031 ARG 526 HA -0.0002 0.0055 -0.0031 3032 ARG 526 C -0.0013 0.0058 -0.0014 3033 ARG 526 O -0.0018 0.0069 -0.0006 3034 ARG 526 CB -0.0001 0.0030 -0.0036 3035 ARG 526 HB2 0.0006 0.0027 -0.0048 3036 ARG 526 HB3 0.0000 0.0026 -0.0038 3037 ARG 526 CG -0.0010 0.0016 -0.0023 3038 ARG 526 HG2 -0.0012 0.0021 -0.0019 3039 ARG 526 HG3 -0.0017 0.0017 -0.0012 3040 ARG 526 CD -0.0007 -0.0005 -0.0029 3041 ARG 526 HD2 -0.0002 -0.0009 -0.0037 3042 ARG 526 HD3 -0.0002 -0.0008 -0.0037 3043 ARG 526 NE -0.0017 -0.0018 -0.0015 3044 ARG 526 HE -0.0019 -0.0024 -0.0011 3045 ARG 526 CZ -0.0023 -0.0024 -0.0006 3046 ARG 526 NH1 -0.0021 -0.0018 -0.0008 3047 ARG 526 HH11 -0.0015 -0.0009 -0.0018 3048 ARG 526 HH12 -0.0025 -0.0023 -0.0002 3049 ARG 526 NH2 -0.0031 -0.0036 0.0007 3050 ARG 526 HH21 -0.0033 -0.0041 0.0009 3051 ARG 526 HH22 -0.0036 -0.0040 0.0013 3052 LEU 527 N -0.0016 0.0056 -0.0010 3053 LEU 527 HN -0.0014 0.0049 -0.0015 3054 LEU 527 CA -0.0024 0.0060 0.0003 3055 LEU 527 HA -0.0028 0.0060 0.0009 3056 LEU 527 C -0.0023 0.0075 0.0005 3057 LEU 527 O -0.0030 0.0080 0.0015 3058 LEU 527 CB -0.0029 0.0048 0.0007 3059 LEU 527 HB2 -0.0024 0.0042 -0.0001 3060 LEU 527 HB3 -0.0032 0.0053 0.0012 3061 LEU 527 CG -0.0037 0.0037 0.0015 3062 LEU 527 HG -0.0039 0.0029 0.0017 3063 LEU 527 CD1 -0.0045 0.0044 0.0028 3064 LEU 527 HD11 -0.0043 0.0052 0.0027 3065 LEU 527 HD12 -0.0047 0.0050 0.0032 3066 LEU 527 HD13 -0.0050 0.0036 0.0034 3067 LEU 527 CD2 -0.0034 0.0027 0.0009 3068 LEU 527 HD21 -0.0032 0.0034 0.0008 3069 LEU 527 HD22 -0.0040 0.0018 0.0015 3070 LEU 527 HD23 -0.0029 0.0021 0.0001 3071 LEU 528 N -0.0015 0.0083 -0.0005 3072 LEU 528 HN -0.0010 0.0078 -0.0013 3073 LEU 528 CA -0.0013 0.0098 -0.0005 3074 LEU 528 HA -0.0014 0.0096 -0.0004 3075 LEU 528 C -0.0019 0.0108 0.0005 3076 LEU 528 O -0.0022 0.0116 0.0011 3077 LEU 528 CB -0.0003 0.0104 -0.0018 3078 LEU 528 HB2 0.0001 0.0095 -0.0025 3079 LEU 528 HB3 -0.0003 0.0110 -0.0017 3080 LEU 528 CG 0.0002 0.0114 -0.0022 3081 LEU 528 HG 0.0008 0.0120 -0.0030 3082 LEU 528 CD1 -0.0003 0.0127 -0.0014 3083 LEU 528 HD11 -0.0008 0.0123 -0.0007 3084 LEU 528 HD12 -0.0005 0.0133 -0.0009 3085 LEU 528 HD13 0.0002 0.0135 -0.0018 3086 LEU 528 CD2 0.0005 0.0106 -0.0029 3087 LEU 528 HD21 -0.0000 0.0100 -0.0022 3088 LEU 528 HD22 0.0009 0.0114 -0.0033 3089 LEU 528 HD23 0.0009 0.0098 -0.0036 3090 ARG 529 N -0.0025 0.0107 0.0007 3091 ARG 529 HN -0.0023 0.0104 0.0003 3092 ARG 529 CA -0.0029 0.0114 0.0017 3093 ARG 529 HA -0.0028 0.0124 0.0015 3094 ARG 529 C -0.0033 0.0112 0.0028 3095 ARG 529 O -0.0036 0.0121 0.0034 3096 ARG 529 CB -0.0030 0.0113 0.0020 3097 ARG 529 HB2 -0.0033 0.0119 0.0027 3098 ARG 529 HB3 -0.0027 0.0118 0.0012 3099 ARG 529 CG -0.0031 0.0100 0.0021 3100 ARG 529 HG2 -0.0035 0.0096 0.0030 3101 ARG 529 HG3 -0.0028 0.0094 0.0014 3102 ARG 529 CD -0.0031 0.0099 0.0020 3103 ARG 529 HD2 -0.0031 0.0089 0.0019 3104 ARG 529 HD3 -0.0027 0.0104 0.0013 3105 ARG 529 NE -0.0035 0.0104 0.0031 3106 ARG 529 HE -0.0038 0.0100 0.0039 3107 ARG 529 CZ -0.0035 0.0112 0.0032 3108 ARG 529 NH1 -0.0031 0.0118 0.0023 3109 ARG 529 HH11 -0.0028 0.0116 0.0015 3110 ARG 529 HH12 -0.0031 0.0123 0.0024 3111 ARG 529 NH2 -0.0039 0.0115 0.0043 3112 ARG 529 HH21 -0.0042 0.0110 0.0049 3113 ARG 529 HH22 -0.0039 0.0121 0.0043 3114 ALA 530 N -0.0035 0.0100 0.0031 3115 ALA 530 HN -0.0033 0.0093 0.0026 3116 ALA 530 CA -0.0039 0.0096 0.0040 3117 ALA 530 HA -0.0042 0.0101 0.0048 3118 ALA 530 C -0.0037 0.0097 0.0037 3119 ALA 530 O -0.0040 0.0101 0.0043 3120 ALA 530 CB -0.0041 0.0082 0.0043 3121 ALA 530 HB1 -0.0038 0.0076 0.0036 3122 ALA 530 HB2 -0.0042 0.0081 0.0047 3123 ALA 530 HB3 -0.0043 0.0079 0.0050 3124 GLN 531 N -0.0032 0.0093 0.0027 3125 GLN 531 HN -0.0030 0.0090 0.0022 3126 GLN 531 CA -0.0031 0.0093 0.0024 3127 GLN 531 HA -0.0033 0.0088 0.0030 3128 GLN 531 C -0.0029 0.0105 0.0026 3129 GLN 531 O -0.0031 0.0106 0.0031 3130 GLN 531 CB -0.0028 0.0087 0.0013 3131 GLN 531 HB2 -0.0025 0.0093 0.0006 3132 GLN 531 HB3 -0.0028 0.0086 0.0012 3133 GLN 531 CG -0.0029 0.0076 0.0010 3134 GLN 531 HG2 -0.0028 0.0077 0.0007 3135 GLN 531 HG3 -0.0032 0.0071 0.0017 3136 GLN 531 CD -0.0028 0.0069 0.0001 3137 GLN 531 OE1 -0.0024 0.0073 -0.0007 3138 GLN 531 NE2 -0.0030 0.0058 0.0001 3139 GLN 531 HE21 -0.0029 0.0053 -0.0004 3140 GLN 531 HE22 -0.0032 0.0054 0.0008 3141 ARG 532 N -0.0026 0.0113 0.0021 3142 ARG 532 HN -0.0025 0.0111 0.0017 3143 ARG 532 CA -0.0025 0.0126 0.0023 3144 ARG 532 HA -0.0023 0.0127 0.0019 3145 ARG 532 C -0.0028 0.0129 0.0035 3146 ARG 532 O -0.0028 0.0134 0.0039 3147 ARG 532 CB -0.0022 0.0132 0.0017 3148 ARG 532 HB2 -0.0020 0.0127 0.0009 3149 ARG 532 HB3 -0.0023 0.0131 0.0021 3150 ARG 532 CG -0.0019 0.0144 0.0014 3151 ARG 532 HG2 -0.0019 0.0146 0.0015 3152 ARG 532 HG3 -0.0019 0.0150 0.0020 3153 ARG 532 CD -0.0014 0.0146 0.0002 3154 ARG 532 HD2 -0.0014 0.0141 -0.0004 3155 ARG 532 HD3 -0.0012 0.0155 0.0000 3156 ARG 532 NE -0.0014 0.0144 -0.0000 3157 ARG 532 HE -0.0016 0.0144 0.0006 3158 ARG 532 CZ -0.0012 0.0139 -0.0009 3159 ARG 532 NH1 -0.0010 0.0138 -0.0019 3160 ARG 532 HH11 -0.0008 0.0143 -0.0020 3161 ARG 532 HH12 -0.0008 0.0134 -0.0026 3162 ARG 532 NH2 -0.0013 0.0134 -0.0009 3163 ARG 532 HH21 -0.0015 0.0135 -0.0003 3164 ARG 532 HH22 -0.0012 0.0129 -0.0016 3165 HIS 533 N -0.0040 0.0112 0.0039 3166 HIS 533 HN -0.0041 0.0112 0.0037 3167 HIS 533 CA -0.0039 0.0113 0.0047 3168 HIS 533 HA -0.0039 0.0119 0.0048 3169 HIS 533 C -0.0040 0.0107 0.0051 3170 HIS 533 O -0.0039 0.0109 0.0055 3171 HIS 533 CB -0.0039 0.0112 0.0052 3172 HIS 533 HB2 -0.0039 0.0111 0.0058 3173 HIS 533 HB3 -0.0040 0.0107 0.0050 3174 HIS 533 CG -0.0038 0.0119 0.0052 3175 HIS 533 ND1 -0.0037 0.0126 0.0056 3176 HIS 533 HD1 -0.0037 0.0127 0.0059 3177 HIS 533 CD2 -0.0038 0.0120 0.0049 3178 HIS 533 HD2 -0.0039 0.0117 0.0045 3179 HIS 533 CE1 -0.0036 0.0131 0.0055 3180 HIS 533 HE1 -0.0036 0.0136 0.0058 3181 HIS 533 NE2 -0.0037 0.0128 0.0051 3182 HIS 533 HE2 -0.0037 0.0130 0.0050 3183 ILE 534 N -0.0041 0.0099 0.0049 3184 ILE 534 HN -0.0042 0.0098 0.0046 3185 ILE 534 CA -0.0042 0.0093 0.0053 3186 ILE 534 HA -0.0041 0.0095 0.0058 3187 ILE 534 C -0.0042 0.0093 0.0049 3188 ILE 534 O -0.0042 0.0091 0.0053 3189 ILE 534 CB -0.0042 0.0085 0.0053 3190 ILE 534 HB -0.0043 0.0085 0.0048 3191 ILE 534 CG1 -0.0042 0.0086 0.0061 3192 ILE 534 HG12 -0.0042 0.0080 0.0063 3193 ILE 534 HG13 -0.0041 0.0089 0.0066 3194 ILE 534 CG2 -0.0043 0.0078 0.0053 3195 ILE 534 HG21 -0.0043 0.0078 0.0058 3196 ILE 534 HG22 -0.0044 0.0078 0.0048 3197 ILE 534 HG23 -0.0044 0.0073 0.0054 3198 ILE 534 CD1 -0.0041 0.0089 0.0059 3199 ILE 534 HD11 -0.0042 0.0088 0.0053 3200 ILE 534 HD12 -0.0041 0.0096 0.0060 3201 ILE 534 HD13 -0.0041 0.0087 0.0063 3202 HIS 535 N -0.0037 0.0093 0.0045 3203 HIS 535 HN -0.0037 0.0092 0.0045 3204 HIS 535 CA -0.0037 0.0094 0.0043 3205 HIS 535 HA -0.0036 0.0093 0.0042 3206 HIS 535 C -0.0038 0.0097 0.0044 3207 HIS 535 O -0.0038 0.0098 0.0043 3208 HIS 535 CB -0.0036 0.0095 0.0040 3209 HIS 535 HB2 -0.0037 0.0096 0.0040 3210 HIS 535 HB3 -0.0036 0.0092 0.0039 3211 HIS 535 CG -0.0036 0.0096 0.0037 3212 HIS 535 ND1 -0.0035 0.0093 0.0035 3213 HIS 535 HD1 -0.0035 0.0091 0.0035 3214 HIS 535 CD2 -0.0037 0.0098 0.0036 3215 HIS 535 HD2 -0.0037 0.0101 0.0037 3216 HIS 535 CE1 -0.0035 0.0095 0.0033 3217 HIS 535 HE1 -0.0035 0.0094 0.0032 3218 HIS 535 NE2 -0.0036 0.0098 0.0034 3219 HIS 535 HE2 -0.0036 0.0100 0.0033 3220 CYS 536 N -0.0039 0.0099 0.0045 3221 CYS 536 HN -0.0039 0.0099 0.0045 3222 CYS 536 CA -0.0040 0.0102 0.0047 3223 CYS 536 HA -0.0040 0.0103 0.0045 3224 CYS 536 C -0.0040 0.0101 0.0050 3225 CYS 536 O -0.0041 0.0102 0.0050 3226 CYS 536 CB -0.0041 0.0104 0.0048 3227 CYS 536 HB2 -0.0041 0.0106 0.0050 3228 CYS 536 HB3 -0.0041 0.0102 0.0050 3229 CYS 536 SG -0.0040 0.0105 0.0046 3230 CYS 536 HG -0.0041 0.0107 0.0044 3231 LEU 537 N -0.0043 0.0086 0.0059 3232 LEU 537 HN -0.0044 0.0087 0.0058 3233 LEU 537 CA -0.0041 0.0083 0.0062 3234 LEU 537 HA -0.0039 0.0085 0.0063 3235 LEU 537 C -0.0042 0.0079 0.0062 3236 LEU 537 O -0.0040 0.0077 0.0064 3237 LEU 537 CB -0.0040 0.0084 0.0063 3238 LEU 537 HB2 -0.0041 0.0087 0.0062 3239 LEU 537 HB3 -0.0041 0.0082 0.0062 3240 LEU 537 CG -0.0037 0.0084 0.0066 3241 LEU 537 HG -0.0037 0.0084 0.0066 3242 LEU 537 CD1 -0.0036 0.0080 0.0068 3243 LEU 537 HD11 -0.0036 0.0079 0.0068 3244 LEU 537 HD12 -0.0037 0.0077 0.0067 3245 LEU 537 HD13 -0.0033 0.0080 0.0070 3246 LEU 537 CD2 -0.0035 0.0088 0.0067 3247 LEU 537 HD21 -0.0035 0.0087 0.0068 3248 LEU 537 HD22 -0.0033 0.0088 0.0070 3249 LEU 537 HD23 -0.0036 0.0090 0.0066 3250 ALA 538 N -0.0044 0.0077 0.0060 3251 ALA 538 HN -0.0046 0.0078 0.0058 3252 ALA 538 CA -0.0045 0.0073 0.0059 3253 ALA 538 HA -0.0044 0.0071 0.0061 3254 ALA 538 C -0.0046 0.0072 0.0059 3255 ALA 538 O -0.0045 0.0069 0.0061 3256 ALA 538 CB -0.0048 0.0071 0.0056 3257 ALA 538 HB1 -0.0050 0.0073 0.0054 3258 ALA 538 HB2 -0.0048 0.0072 0.0057 3259 ALA 538 HB3 -0.0049 0.0068 0.0056 3260 VAL 539 N -0.0052 0.0056 0.0057 3261 VAL 539 HN -0.0054 0.0058 0.0057 3262 VAL 539 CA -0.0054 0.0053 0.0056 3263 VAL 539 HA -0.0054 0.0050 0.0055 3264 VAL 539 C -0.0051 0.0053 0.0056 3265 VAL 539 O -0.0050 0.0049 0.0056 3266 VAL 539 CB -0.0058 0.0054 0.0055 3267 VAL 539 HB -0.0060 0.0055 0.0055 3268 VAL 539 CG1 -0.0060 0.0051 0.0054 3269 VAL 539 HG11 -0.0058 0.0050 0.0054 3270 VAL 539 HG12 -0.0063 0.0052 0.0054 3271 VAL 539 HG13 -0.0060 0.0048 0.0054 3272 VAL 539 CG2 -0.0058 0.0058 0.0056 3273 VAL 539 HG21 -0.0057 0.0058 0.0056 3274 VAL 539 HG22 -0.0057 0.0061 0.0057 3275 VAL 539 HG23 -0.0061 0.0059 0.0056 3276 ALA 540 N -0.0048 0.0056 0.0057 3277 ALA 540 HN -0.0049 0.0058 0.0058 3278 ALA 540 CA -0.0045 0.0056 0.0058 3279 ALA 540 HA -0.0047 0.0055 0.0058 3280 ALA 540 C -0.0042 0.0052 0.0058 3281 ALA 540 O -0.0041 0.0050 0.0058 3282 ALA 540 CB -0.0043 0.0060 0.0059 3283 ALA 540 HB1 -0.0042 0.0060 0.0060 3284 ALA 540 HB2 -0.0046 0.0062 0.0059 3285 ALA 540 HB3 -0.0041 0.0060 0.0060 3286 ILE 541 N -0.0046 0.0037 0.0065 3287 ILE 541 HN -0.0047 0.0042 0.0066 3288 ILE 541 CA -0.0043 0.0036 0.0063 3289 ILE 541 HA -0.0039 0.0035 0.0061 3290 ILE 541 C -0.0045 0.0030 0.0063 3291 ILE 541 O -0.0042 0.0026 0.0061 3292 ILE 541 CB -0.0041 0.0041 0.0063 3293 ILE 541 HB -0.0045 0.0042 0.0065 3294 ILE 541 CG1 -0.0039 0.0047 0.0062 3295 ILE 541 HG12 -0.0035 0.0046 0.0060 3296 ILE 541 HG13 -0.0042 0.0048 0.0064 3297 ILE 541 CG2 -0.0037 0.0039 0.0060 3298 ILE 541 HG21 -0.0034 0.0038 0.0058 3299 ILE 541 HG22 -0.0039 0.0036 0.0061 3300 ILE 541 HG23 -0.0037 0.0043 0.0060 3301 ILE 541 CD1 -0.0039 0.0053 0.0063 3302 ILE 541 HD11 -0.0037 0.0052 0.0062 3303 ILE 541 HD12 -0.0043 0.0053 0.0066 3304 ILE 541 HD13 -0.0038 0.0056 0.0063 3305 ASN 542 N -0.0050 0.0030 0.0066 3306 ASN 542 HN -0.0052 0.0034 0.0068 3307 ASN 542 CA -0.0053 0.0025 0.0067 3308 ASN 542 HA -0.0050 0.0024 0.0066 3309 ASN 542 C -0.0053 0.0020 0.0066 3310 ASN 542 O -0.0052 0.0015 0.0065 3311 ASN 542 CB -0.0058 0.0027 0.0070 3312 ASN 542 HB2 -0.0060 0.0028 0.0072 3313 ASN 542 HB3 -0.0057 0.0031 0.0071 3314 ASN 542 CG -0.0061 0.0022 0.0071 3315 ASN 542 OD1 -0.0059 0.0020 0.0070 3316 ASN 542 ND2 -0.0065 0.0019 0.0074 3317 ASN 542 HD21 -0.0067 0.0016 0.0074 3318 ASN 542 HD22 -0.0066 0.0021 0.0075 3319 GLN 543 N -0.0051 -0.0014 0.0063 3320 GLN 543 HN -0.0052 -0.0011 0.0064 3321 GLN 543 CA -0.0052 -0.0019 0.0061 3322 GLN 543 HA -0.0053 -0.0021 0.0063 3323 GLN 543 C -0.0049 -0.0021 0.0056 3324 GLN 543 O -0.0049 -0.0024 0.0055 3325 GLN 543 CB -0.0053 -0.0021 0.0064 3326 GLN 543 HB2 -0.0055 -0.0018 0.0067 3327 GLN 543 HB3 -0.0052 -0.0019 0.0061 3328 GLN 543 CG -0.0055 -0.0026 0.0065 3329 GLN 543 HG2 -0.0056 -0.0027 0.0067 3330 GLN 543 HG3 -0.0057 -0.0027 0.0067 3331 GLN 543 CD -0.0054 -0.0031 0.0060 3332 GLN 543 OE1 -0.0054 -0.0034 0.0060 3333 GLN 543 NE2 -0.0052 -0.0031 0.0057 3334 GLN 543 HE21 -0.0052 -0.0034 0.0055 3335 GLN 543 HE22 -0.0052 -0.0028 0.0058 3336 HIS 544 N -0.0047 -0.0018 0.0053 3337 HIS 544 HN -0.0047 -0.0015 0.0054 3338 HIS 544 CA -0.0045 -0.0019 0.0048 3339 HIS 544 HA -0.0045 -0.0023 0.0047 3340 HIS 544 C -0.0043 -0.0018 0.0046 3341 HIS 544 O -0.0042 -0.0022 0.0042 3342 HIS 544 CB -0.0043 -0.0016 0.0045 3343 HIS 544 HB2 -0.0041 -0.0013 0.0044 3344 HIS 544 HB3 -0.0044 -0.0015 0.0048 3345 HIS 544 CG -0.0042 -0.0020 0.0042 3346 HIS 544 ND1 -0.0039 -0.0021 0.0037 3347 HIS 544 HD1 -0.0038 -0.0019 0.0035 3348 HIS 544 CD2 -0.0042 -0.0023 0.0042 3349 HIS 544 HD2 -0.0044 -0.0023 0.0045 3350 HIS 544 CE1 -0.0039 -0.0024 0.0035 3351 HIS 544 HE1 -0.0037 -0.0025 0.0031 3352 HIS 544 NE2 -0.0041 -0.0025 0.0038 3353 HIS 544 HE2 -0.0040 -0.0027 0.0036 3354 LYS 545 N -0.0046 -0.0012 0.0050 3355 LYS 545 HN -0.0048 -0.0006 0.0054 3356 LYS 545 CA -0.0045 -0.0013 0.0049 3357 LYS 545 HA -0.0040 -0.0011 0.0043 3358 LYS 545 C -0.0049 -0.0024 0.0050 3359 LYS 545 O -0.0045 -0.0028 0.0044 3360 LYS 545 CB -0.0048 -0.0004 0.0055 3361 LYS 545 HB2 -0.0046 0.0004 0.0054 3362 LYS 545 HB3 -0.0054 -0.0005 0.0062 3363 LYS 545 CG -0.0048 -0.0003 0.0055 3364 LYS 545 HG2 -0.0047 -0.0010 0.0052 3365 LYS 545 HG3 -0.0043 0.0003 0.0051 3366 LYS 545 CD -0.0054 0.0000 0.0063 3367 LYS 545 HD2 -0.0056 0.0006 0.0068 3368 LYS 545 HD3 -0.0052 0.0005 0.0062 3369 LYS 545 CE -0.0060 -0.0009 0.0068 3370 LYS 545 HE2 -0.0063 -0.0006 0.0072 3371 LYS 545 HE3 -0.0058 -0.0016 0.0063 3372 LYS 545 NZ -0.0065 -0.0013 0.0073 3373 LYS 545 HZ1 -0.0068 -0.0007 0.0078 3374 LYS 545 HZ2 -0.0068 -0.0021 0.0074 3375 LYS 545 HZ3 -0.0063 -0.0013 0.0070 3376 ASP 546 N -0.0056 -0.0028 0.0057 3377 ASP 546 HN -0.0058 -0.0024 0.0062 3378 ASP 546 CA -0.0059 -0.0039 0.0059 3379 ASP 546 HA -0.0058 -0.0039 0.0057 3380 ASP 546 C -0.0056 -0.0047 0.0053 3381 ASP 546 O -0.0054 -0.0054 0.0048 3382 ASP 546 CB -0.0067 -0.0040 0.0068 3383 ASP 546 HB2 -0.0070 -0.0048 0.0069 3384 ASP 546 HB3 -0.0069 -0.0034 0.0072 3385 ASP 546 CG -0.0071 -0.0041 0.0072 3386 ASP 546 OD1 -0.0071 -0.0032 0.0074 3387 ASP 546 OD2 -0.0074 -0.0050 0.0073 3388 GLY 547 N -0.0059 -0.0055 0.0053 3389 GLY 547 HN -0.0061 -0.0050 0.0053 3390 GLY 547 CA -0.0053 -0.0060 0.0049 3391 GLY 547 HA2 -0.0053 -0.0065 0.0051 3392 GLY 547 HA3 -0.0051 -0.0056 0.0046 3393 GLY 547 C -0.0048 -0.0061 0.0044 3394 GLY 547 O -0.0045 -0.0068 0.0044 3395 SER 548 N -0.0046 -0.0054 0.0041 3396 SER 548 HN -0.0049 -0.0049 0.0041 3397 SER 548 CA -0.0042 -0.0054 0.0037 3398 SER 548 HA -0.0037 -0.0056 0.0033 3399 SER 548 C -0.0043 -0.0060 0.0040 3400 SER 548 O -0.0038 -0.0066 0.0037 3401 SER 548 CB -0.0043 -0.0045 0.0035 3402 SER 548 HB2 -0.0047 -0.0043 0.0038 3403 SER 548 HB3 -0.0043 -0.0041 0.0034 3404 SER 548 OG -0.0037 -0.0044 0.0030 3405 SER 548 HG -0.0038 -0.0045 0.0031 3406 GLU 549 N -0.0050 -0.0073 0.0040 3407 GLU 549 HN -0.0053 -0.0069 0.0041 3408 GLU 549 CA -0.0051 -0.0079 0.0042 3409 GLU 549 HA -0.0047 -0.0080 0.0040 3410 GLU 549 C -0.0051 -0.0085 0.0043 3411 GLU 549 O -0.0047 -0.0091 0.0043 3412 GLU 549 CB -0.0057 -0.0078 0.0045 3413 GLU 549 HB2 -0.0057 -0.0072 0.0044 3414 GLU 549 HB3 -0.0061 -0.0079 0.0047 3415 GLU 549 CG -0.0057 -0.0082 0.0046 3416 GLU 549 HG2 -0.0061 -0.0080 0.0047 3417 GLU 549 HG3 -0.0053 -0.0081 0.0043 3418 GLU 549 CD -0.0057 -0.0089 0.0048 3419 GLU 549 OE1 -0.0062 -0.0091 0.0051 3420 GLU 549 OE2 -0.0053 -0.0093 0.0047 3421 GLN 550 N -0.0054 -0.0085 0.0045 3422 GLN 550 HN -0.0057 -0.0081 0.0046 3423 GLN 550 CA -0.0054 -0.0091 0.0046 3424 GLN 550 HA -0.0055 -0.0095 0.0048 3425 GLN 550 C -0.0048 -0.0093 0.0044 3426 GLN 550 O -0.0047 -0.0099 0.0044 3427 GLN 550 CB -0.0059 -0.0089 0.0049 3428 GLN 550 HB2 -0.0058 -0.0084 0.0047 3429 GLN 550 HB3 -0.0058 -0.0093 0.0049 3430 GLN 550 CG -0.0065 -0.0087 0.0052 3431 GLN 550 HG2 -0.0066 -0.0083 0.0051 3432 GLN 550 HG3 -0.0067 -0.0092 0.0054 3433 GLN 550 CD -0.0070 -0.0086 0.0054 3434 GLN 550 OE1 -0.0069 -0.0089 0.0054 3435 GLN 550 NE2 -0.0075 -0.0081 0.0055 3436 GLN 550 HE21 -0.0077 -0.0081 0.0057 3437 GLN 550 HE22 -0.0076 -0.0079 0.0055 3438 MET 551 N -0.0051 -0.0091 0.0052 3439 MET 551 HN -0.0051 -0.0087 0.0053 3440 MET 551 CA -0.0049 -0.0092 0.0048 3441 MET 551 HA -0.0051 -0.0096 0.0048 3442 MET 551 C -0.0046 -0.0093 0.0044 3443 MET 551 O -0.0046 -0.0097 0.0041 3444 MET 551 CB -0.0048 -0.0089 0.0048 3445 MET 551 HB2 -0.0045 -0.0089 0.0045 3446 MET 551 HB3 -0.0047 -0.0085 0.0049 3447 MET 551 CG -0.0050 -0.0090 0.0051 3448 MET 551 HG2 -0.0049 -0.0086 0.0051 3449 MET 551 HG3 -0.0053 -0.0090 0.0054 3450 MET 551 SD -0.0051 -0.0095 0.0048 3451 MET 551 CE -0.0047 -0.0092 0.0045 3452 MET 551 HE1 -0.0046 -0.0095 0.0043 3453 MET 551 HE2 -0.0044 -0.0091 0.0043 3454 MET 551 HE3 -0.0047 -0.0089 0.0047 3455 GLU 552 N -0.0044 -0.0089 0.0043 3456 GLU 552 HN -0.0044 -0.0086 0.0046 3457 GLU 552 CA -0.0041 -0.0089 0.0040 3458 GLU 552 HA -0.0038 -0.0089 0.0037 3459 GLU 552 C -0.0041 -0.0094 0.0038 3460 GLU 552 O -0.0039 -0.0095 0.0034 3461 GLU 552 CB -0.0039 -0.0085 0.0040 3462 GLU 552 HB2 -0.0041 -0.0085 0.0043 3463 GLU 552 HB3 -0.0037 -0.0085 0.0038 3464 GLU 552 CG -0.0037 -0.0080 0.0042 3465 GLU 552 HG2 -0.0037 -0.0077 0.0042 3466 GLU 552 HG3 -0.0039 -0.0079 0.0045 3467 GLU 552 CD -0.0034 -0.0078 0.0039 3468 GLU 552 OE1 -0.0033 -0.0074 0.0040 3469 GLU 552 OE2 -0.0033 -0.0081 0.0035 3470 GLN 553 N -0.0050 -0.0111 0.0065 3471 GLN 553 HN -0.0052 -0.0111 0.0062 3472 GLN 553 CA -0.0051 -0.0112 0.0065 3473 GLN 553 HA -0.0049 -0.0115 0.0067 3474 GLN 553 C -0.0050 -0.0107 0.0066 3475 GLN 553 O -0.0051 -0.0107 0.0064 3476 GLN 553 CB -0.0053 -0.0114 0.0060 3477 GLN 553 HB2 -0.0054 -0.0111 0.0057 3478 GLN 553 HB3 -0.0053 -0.0115 0.0059 3479 GLN 553 CG -0.0053 -0.0119 0.0059 3480 GLN 553 HG2 -0.0054 -0.0118 0.0059 3481 GLN 553 HG3 -0.0052 -0.0122 0.0062 3482 GLN 553 CD -0.0056 -0.0122 0.0054 3483 GLN 553 OE1 -0.0056 -0.0125 0.0054 3484 GLN 553 NE2 -0.0058 -0.0121 0.0050 3485 GLN 553 HE21 -0.0059 -0.0122 0.0047 3486 GLN 553 HE22 -0.0057 -0.0120 0.0051 3487 ARG 554 N -0.0049 -0.0103 0.0068 3488 ARG 554 HN -0.0049 -0.0103 0.0069 3489 ARG 554 CA -0.0048 -0.0098 0.0070 3490 ARG 554 HA -0.0049 -0.0098 0.0067 3491 ARG 554 C -0.0046 -0.0099 0.0074 3492 ARG 554 O -0.0044 -0.0101 0.0078 3493 ARG 554 CB -0.0048 -0.0093 0.0070 3494 ARG 554 HB2 -0.0048 -0.0090 0.0070 3495 ARG 554 HB3 -0.0050 -0.0093 0.0067 3496 ARG 554 CG -0.0046 -0.0092 0.0074 3497 ARG 554 HG2 -0.0044 -0.0093 0.0078 3498 ARG 554 HG3 -0.0046 -0.0096 0.0074 3499 ARG 554 CD -0.0046 -0.0087 0.0074 3500 ARG 554 HD2 -0.0045 -0.0088 0.0076 3501 ARG 554 HD3 -0.0048 -0.0086 0.0070 3502 ARG 554 NE -0.0045 -0.0083 0.0076 3503 ARG 554 HE -0.0043 -0.0082 0.0079 3504 ARG 554 CZ -0.0046 -0.0079 0.0074 3505 ARG 554 NH1 -0.0048 -0.0080 0.0070 3506 ARG 554 HH11 -0.0049 -0.0083 0.0068 3507 ARG 554 HH12 -0.0049 -0.0077 0.0069 3508 ARG 554 NH2 -0.0045 -0.0075 0.0077 3509 ARG 554 HH21 -0.0043 -0.0076 0.0080 3510 ARG 554 HH22 -0.0045 -0.0073 0.0076 3511 LEU 555 N -0.0046 -0.0100 0.0091 3512 LEU 555 HN -0.0046 -0.0096 0.0087 3513 LEU 555 CA -0.0045 -0.0099 0.0099 3514 LEU 555 HA -0.0045 -0.0103 0.0104 3515 LEU 555 C -0.0044 -0.0090 0.0101 3516 LEU 555 O -0.0044 -0.0084 0.0097 3517 LEU 555 CB -0.0046 -0.0102 0.0097 3518 LEU 555 HB2 -0.0047 -0.0105 0.0091 3519 LEU 555 HB3 -0.0045 -0.0096 0.0095 3520 LEU 555 CG -0.0046 -0.0108 0.0103 3521 LEU 555 HG -0.0047 -0.0113 0.0104 3522 LEU 555 CD1 -0.0047 -0.0111 0.0100 3523 LEU 555 HD11 -0.0046 -0.0106 0.0098 3524 LEU 555 HD12 -0.0047 -0.0114 0.0093 3525 LEU 555 HD13 -0.0047 -0.0115 0.0104 3526 LEU 555 CD2 -0.0045 -0.0104 0.0112 3527 LEU 555 HD21 -0.0044 -0.0098 0.0111 3528 LEU 555 HD22 -0.0045 -0.0108 0.0116 3529 LEU 555 HD23 -0.0045 -0.0103 0.0115 3530 ARG 556 N -0.0043 -0.0088 0.0109 3531 ARG 556 HN -0.0044 -0.0093 0.0113 3532 ARG 556 CA -0.0042 -0.0080 0.0113 3533 ARG 556 HA -0.0042 -0.0081 0.0119 3534 ARG 556 C -0.0042 -0.0074 0.0114 3535 ARG 556 O -0.0041 -0.0067 0.0116 3536 ARG 556 CB -0.0042 -0.0074 0.0108 3537 ARG 556 HB2 -0.0042 -0.0074 0.0101 3538 ARG 556 HB3 -0.0041 -0.0068 0.0110 3539 ARG 556 CG -0.0042 -0.0078 0.0109 3540 ARG 556 HG2 -0.0042 -0.0073 0.0105 3541 ARG 556 HG3 -0.0043 -0.0084 0.0105 3542 ARG 556 CD -0.0042 -0.0079 0.0117 3543 ARG 556 HD2 -0.0042 -0.0081 0.0117 3544 ARG 556 HD3 -0.0042 -0.0083 0.0121 3545 ARG 556 NE -0.0041 -0.0070 0.0122 3546 ARG 556 HE -0.0040 -0.0066 0.0120 3547 ARG 556 CZ -0.0040 -0.0068 0.0129 3548 ARG 556 NH1 -0.0040 -0.0074 0.0133 3549 ARG 556 HH11 -0.0041 -0.0079 0.0130 3550 ARG 556 HH12 -0.0040 -0.0072 0.0138 3551 ARG 556 NH2 -0.0039 -0.0061 0.0132 3552 ARG 556 HH21 -0.0039 -0.0057 0.0130 3553 ARG 556 HH22 -0.0038 -0.0059 0.0137 3554 GLU 557 N -0.0048 -0.0077 0.0110 3555 GLU 557 HN -0.0050 -0.0082 0.0109 3556 GLU 557 CA -0.0047 -0.0075 0.0110 3557 GLU 557 HA -0.0044 -0.0070 0.0108 3558 GLU 557 C -0.0047 -0.0074 0.0118 3559 GLU 557 O -0.0050 -0.0079 0.0121 3560 GLU 557 CB -0.0048 -0.0078 0.0103 3561 GLU 557 HB2 -0.0046 -0.0074 0.0103 3562 GLU 557 HB3 -0.0047 -0.0078 0.0098 3563 GLU 557 CG -0.0052 -0.0085 0.0104 3564 GLU 557 HG2 -0.0053 -0.0086 0.0110 3565 GLU 557 HG3 -0.0053 -0.0089 0.0103 3566 GLU 557 CD -0.0052 -0.0086 0.0099 3567 GLU 557 OE1 -0.0050 -0.0084 0.0092 3568 GLU 557 OE2 -0.0053 -0.0089 0.0102 3569 ILE 558 N -0.0044 -0.0068 0.0120 3570 ILE 558 HN -0.0042 -0.0064 0.0116 3571 ILE 558 CA -0.0044 -0.0066 0.0127 3572 ILE 558 HA -0.0046 -0.0070 0.0131 3573 ILE 558 C -0.0044 -0.0066 0.0125 3574 ILE 558 O -0.0041 -0.0061 0.0126 3575 ILE 558 CB -0.0040 -0.0059 0.0130 3576 ILE 558 HB -0.0038 -0.0055 0.0127 3577 ILE 558 CG1 -0.0040 -0.0058 0.0130 3578 ILE 558 HG12 -0.0043 -0.0062 0.0133 3579 ILE 558 HG13 -0.0040 -0.0060 0.0124 3580 ILE 558 CG2 -0.0041 -0.0058 0.0139 3581 ILE 558 HG21 -0.0043 -0.0061 0.0142 3582 ILE 558 HG22 -0.0041 -0.0058 0.0139 3583 ILE 558 HG23 -0.0038 -0.0053 0.0141 3584 ILE 558 CD1 -0.0037 -0.0051 0.0132 3585 ILE 558 HD11 -0.0037 -0.0050 0.0138 3586 ILE 558 HD12 -0.0034 -0.0048 0.0129 3587 ILE 558 HD13 -0.0036 -0.0051 0.0131 3588 GLU 559 N -0.0052 -0.0072 0.0121 3589 GLU 559 HN -0.0055 -0.0076 0.0121 3590 GLU 559 CA -0.0052 -0.0073 0.0115 3591 GLU 559 HA -0.0051 -0.0071 0.0118 3592 GLU 559 C -0.0057 -0.0079 0.0114 3593 GLU 559 O -0.0060 -0.0083 0.0118 3594 GLU 559 CB -0.0048 -0.0070 0.0109 3595 GLU 559 HB2 -0.0046 -0.0067 0.0110 3596 GLU 559 HB3 -0.0050 -0.0073 0.0105 3597 GLU 559 CG -0.0045 -0.0067 0.0105 3598 GLU 559 HG2 -0.0044 -0.0065 0.0109 3599 GLU 559 HG3 -0.0047 -0.0070 0.0102 3600 GLU 559 CD -0.0041 -0.0063 0.0100 3601 GLU 559 OE1 -0.0040 -0.0062 0.0099 3602 GLU 559 OE2 -0.0038 -0.0059 0.0098 3603 ALA 560 N -0.0057 -0.0081 0.0108 3604 ALA 560 HN -0.0054 -0.0078 0.0104 3605 ALA 560 CA -0.0061 -0.0087 0.0105 3606 ALA 560 HA -0.0064 -0.0090 0.0107 3607 ALA 560 C -0.0060 -0.0088 0.0097 3608 ALA 560 O -0.0057 -0.0085 0.0093 3609 ALA 560 CB -0.0063 -0.0088 0.0108 3610 ALA 560 HB1 -0.0060 -0.0086 0.0106 3611 ALA 560 HB2 -0.0064 -0.0088 0.0114 3612 ALA 560 HB3 -0.0066 -0.0093 0.0106 3613 ILE 561 N -0.0064 -0.0089 0.0089 3614 ILE 561 HN -0.0065 -0.0089 0.0091 3615 ILE 561 CA -0.0063 -0.0093 0.0082 3616 ILE 561 HA -0.0060 -0.0090 0.0078 3617 ILE 561 C -0.0064 -0.0096 0.0080 3618 ILE 561 O -0.0061 -0.0094 0.0075 3619 ILE 561 CB -0.0065 -0.0099 0.0081 3620 ILE 561 HB -0.0069 -0.0103 0.0085 3621 ILE 561 CG1 -0.0066 -0.0097 0.0084 3622 ILE 561 HG12 -0.0067 -0.0094 0.0089 3623 ILE 561 HG13 -0.0068 -0.0101 0.0083 3624 ILE 561 CG2 -0.0064 -0.0103 0.0074 3625 ILE 561 HG21 -0.0061 -0.0100 0.0070 3626 ILE 561 HG22 -0.0065 -0.0106 0.0072 3627 ILE 561 HG23 -0.0066 -0.0107 0.0073 3628 ILE 561 CD1 -0.0061 -0.0092 0.0080 3629 ILE 561 HD11 -0.0059 -0.0087 0.0080 3630 ILE 561 HD12 -0.0060 -0.0094 0.0074 3631 ILE 561 HD13 -0.0062 -0.0091 0.0082 3632 VAL 562 N -0.0067 -0.0100 0.0084 3633 VAL 562 HN -0.0070 -0.0101 0.0088 3634 VAL 562 CA -0.0069 -0.0104 0.0083 3635 VAL 562 HA -0.0068 -0.0107 0.0078 3636 VAL 562 C -0.0066 -0.0099 0.0083 3637 VAL 562 O -0.0065 -0.0100 0.0078 3638 VAL 562 CB -0.0073 -0.0109 0.0088 3639 VAL 562 HB -0.0075 -0.0112 0.0088 3640 VAL 562 CG1 -0.0075 -0.0114 0.0086 3641 VAL 562 HG11 -0.0074 -0.0112 0.0087 3642 VAL 562 HG12 -0.0078 -0.0118 0.0089 3643 VAL 562 HG13 -0.0074 -0.0117 0.0081 3644 VAL 562 CG2 -0.0075 -0.0106 0.0096 3645 VAL 562 HG21 -0.0075 -0.0103 0.0097 3646 VAL 562 HG22 -0.0074 -0.0102 0.0097 3647 VAL 562 HG23 -0.0079 -0.0110 0.0099 3648 ASP 563 N -0.0066 -0.0094 0.0089 3649 ASP 563 HN -0.0067 -0.0095 0.0093 3650 ASP 563 CA -0.0062 -0.0089 0.0089 3651 ASP 563 HA -0.0062 -0.0089 0.0089 3652 ASP 563 C -0.0059 -0.0085 0.0083 3653 ASP 563 O -0.0057 -0.0083 0.0081 3654 ASP 563 CB -0.0061 -0.0086 0.0096 3655 ASP 563 HB2 -0.0058 -0.0082 0.0096 3656 ASP 563 HB3 -0.0060 -0.0085 0.0096 3657 ASP 563 CG -0.0063 -0.0088 0.0101 3658 ASP 563 OD1 -0.0067 -0.0093 0.0102 3659 ASP 563 OD2 -0.0062 -0.0086 0.0105 3660 GLY 564 N -0.0059 -0.0086 0.0082 3661 GLY 564 HN -0.0060 -0.0087 0.0084 3662 GLY 564 CA -0.0057 -0.0084 0.0076 3663 GLY 564 HA2 -0.0054 -0.0080 0.0075 3664 GLY 564 HA3 -0.0057 -0.0083 0.0076 3665 GLY 564 C -0.0058 -0.0087 0.0069 3666 GLY 564 O -0.0056 -0.0084 0.0064 3667 LEU 565 N -0.0063 -0.0088 0.0061 3668 LEU 565 HN -0.0065 -0.0089 0.0064 3669 LEU 565 CA -0.0064 -0.0092 0.0056 3670 LEU 565 HA -0.0067 -0.0094 0.0058 3671 LEU 565 C -0.0063 -0.0093 0.0054 3672 LEU 565 O -0.0062 -0.0091 0.0055 3673 LEU 565 CB -0.0062 -0.0092 0.0053 3674 LEU 565 HB2 -0.0059 -0.0089 0.0052 3675 LEU 565 HB3 -0.0062 -0.0094 0.0049 3676 LEU 565 CG -0.0063 -0.0093 0.0054 3677 LEU 565 HG -0.0061 -0.0092 0.0051 3678 LEU 565 CD1 -0.0066 -0.0097 0.0054 3679 LEU 565 HD11 -0.0069 -0.0098 0.0056 3680 LEU 565 HD12 -0.0066 -0.0099 0.0050 3681 LEU 565 HD13 -0.0067 -0.0098 0.0054 3682 LEU 565 CD2 -0.0063 -0.0089 0.0058 3683 LEU 565 HD21 -0.0065 -0.0090 0.0062 3684 LEU 565 HD22 -0.0063 -0.0090 0.0059 3685 LEU 565 HD23 -0.0060 -0.0086 0.0059 3686 ASP 566 N -0.0065 -0.0097 0.0051 3687 ASP 566 HN -0.0066 -0.0099 0.0050 3688 ASP 566 CA -0.0065 -0.0099 0.0049 3689 ASP 566 HA -0.0067 -0.0100 0.0051 3690 ASP 566 C -0.0062 -0.0096 0.0046 3691 ASP 566 O -0.0059 -0.0094 0.0045 3692 ASP 566 CB -0.0066 -0.0103 0.0045 3693 ASP 566 HB2 -0.0064 -0.0103 0.0042 3694 ASP 566 HB3 -0.0069 -0.0105 0.0047 3695 ASP 566 CG -0.0067 -0.0106 0.0043 3696 ASP 566 OD1 -0.0066 -0.0107 0.0038 3697 ASP 566 OD2 -0.0070 -0.0107 0.0045 3698 ASP 567 N -0.0056 -0.0095 0.0034 3699 ASP 567 HN -0.0058 -0.0094 0.0034 3700 ASP 567 CA -0.0053 -0.0094 0.0035 3701 ASP 567 HA -0.0053 -0.0095 0.0035 3702 ASP 567 C -0.0051 -0.0096 0.0035 3703 ASP 567 O -0.0051 -0.0096 0.0035 3704 ASP 567 CB -0.0053 -0.0091 0.0037 3705 ASP 567 HB2 -0.0055 -0.0090 0.0037 3706 ASP 567 HB3 -0.0051 -0.0090 0.0037 3707 ASP 567 CG -0.0053 -0.0090 0.0037 3708 ASP 567 OD1 -0.0051 -0.0088 0.0038 3709 ASP 567 OD2 -0.0056 -0.0090 0.0036 3710 LEU 568 N -0.0048 -0.0098 0.0035 3711 LEU 568 HN -0.0048 -0.0097 0.0036 3712 LEU 568 CA -0.0046 -0.0100 0.0035 3713 LEU 568 HA -0.0047 -0.0101 0.0035 3714 LEU 568 C -0.0043 -0.0098 0.0037 3715 LEU 568 O -0.0043 -0.0098 0.0037 3716 LEU 568 CB -0.0045 -0.0103 0.0034 3717 LEU 568 HB2 -0.0045 -0.0102 0.0035 3718 LEU 568 HB3 -0.0043 -0.0104 0.0035 3719 LEU 568 CG -0.0047 -0.0105 0.0033 3720 LEU 568 HG -0.0046 -0.0107 0.0033 3721 LEU 568 CD1 -0.0051 -0.0104 0.0032 3722 LEU 568 HD11 -0.0052 -0.0103 0.0032 3723 LEU 568 HD12 -0.0051 -0.0103 0.0033 3724 LEU 568 HD13 -0.0052 -0.0106 0.0031 3725 LEU 568 CD2 -0.0047 -0.0107 0.0032 3726 LEU 568 HD21 -0.0048 -0.0106 0.0032 3727 LEU 568 HD22 -0.0049 -0.0109 0.0031 3728 LEU 568 HD23 -0.0045 -0.0108 0.0033 3729 VAL 569 N -0.0046 -0.0104 0.0028 3730 VAL 569 HN -0.0045 -0.0102 0.0029 3731 VAL 569 CA -0.0044 -0.0103 0.0028 3732 VAL 569 HA -0.0046 -0.0104 0.0028 3733 VAL 569 C -0.0044 -0.0100 0.0033 3734 VAL 569 O -0.0043 -0.0097 0.0035 3735 VAL 569 CB -0.0040 -0.0102 0.0025 3736 VAL 569 HB -0.0040 -0.0104 0.0022 3737 VAL 569 CG1 -0.0039 -0.0102 0.0025 3738 VAL 569 HG11 -0.0039 -0.0100 0.0028 3739 VAL 569 HG12 -0.0036 -0.0101 0.0022 3740 VAL 569 HG13 -0.0042 -0.0104 0.0024 3741 VAL 569 CG2 -0.0036 -0.0099 0.0026 3742 VAL 569 HG21 -0.0036 -0.0097 0.0029 3743 VAL 569 HG22 -0.0037 -0.0099 0.0026 3744 VAL 569 HG23 -0.0033 -0.0099 0.0023 3745 THR 570 N -0.0046 -0.0100 0.0035 3746 THR 570 HN -0.0047 -0.0101 0.0033 3747 THR 570 CA -0.0045 -0.0097 0.0038 3748 THR 570 HA -0.0043 -0.0095 0.0039 3749 THR 570 C -0.0042 -0.0096 0.0037 3750 THR 570 O -0.0043 -0.0098 0.0035 3751 THR 570 CB -0.0049 -0.0097 0.0042 3752 THR 570 HB -0.0048 -0.0094 0.0045 3753 THR 570 OG1 -0.0051 -0.0098 0.0043 3754 THR 570 HG1 -0.0052 -0.0100 0.0040 3755 THR 570 CG2 -0.0052 -0.0099 0.0043 3756 THR 570 HG21 -0.0054 -0.0101 0.0040 3757 THR 570 HG22 -0.0051 -0.0098 0.0043 3758 THR 570 HG23 -0.0055 -0.0098 0.0046 3759 LYS 571 N -0.0044 -0.0098 0.0026 3760 LYS 571 HN -0.0043 -0.0093 0.0031 3761 LYS 571 CA -0.0039 -0.0095 0.0019 3762 LYS 571 HA -0.0040 -0.0102 0.0013 3763 LYS 571 C -0.0038 -0.0091 0.0024 3764 LYS 571 O -0.0037 -0.0084 0.0030 3765 LYS 571 CB -0.0032 -0.0089 0.0012 3766 LYS 571 HB2 -0.0030 -0.0082 0.0017 3767 LYS 571 HB3 -0.0029 -0.0089 0.0006 3768 LYS 571 CG -0.0032 -0.0092 0.0008 3769 LYS 571 HG2 -0.0035 -0.0099 0.0005 3770 LYS 571 HG3 -0.0034 -0.0091 0.0015 3771 LYS 571 CD -0.0025 -0.0087 0.0001 3772 LYS 571 HD2 -0.0022 -0.0079 0.0004 3773 LYS 571 HD3 -0.0026 -0.0087 0.0001 3774 LYS 571 CE -0.0023 -0.0090 -0.0009 3775 LYS 571 HE2 -0.0024 -0.0092 -0.0009 3776 LYS 571 HE3 -0.0017 -0.0084 -0.0013 3777 LYS 571 NZ -0.0025 -0.0098 -0.0015 3778 LYS 571 HZ1 -0.0029 -0.0104 -0.0014 3779 LYS 571 HZ2 -0.0021 -0.0097 -0.0023 3780 LYS 571 HZ3 -0.0026 -0.0097 -0.0013 3781 ASP 572 N -0.0039 -0.0095 0.0020 3782 ASP 572 HN -0.0041 -0.0101 0.0015 3783 ASP 572 CA -0.0038 -0.0091 0.0023 3784 ASP 572 HA -0.0041 -0.0090 0.0031 3785 ASP 572 C -0.0031 -0.0083 0.0019 3786 ASP 572 O -0.0027 -0.0082 0.0011 3787 ASP 572 CB -0.0041 -0.0099 0.0019 3788 ASP 572 HB2 -0.0047 -0.0105 0.0023 3789 ASP 572 HB3 -0.0040 -0.0096 0.0021 3790 ASP 572 CG -0.0039 -0.0103 0.0008 3791 ASP 572 OD1 -0.0035 -0.0101 0.0002 3792 ASP 572 OD2 -0.0041 -0.0108 0.0006 3793 ARG 573 N -0.0033 -0.0084 0.0014 3794 ARG 573 HN -0.0036 -0.0085 0.0021 3795 ARG 573 CA -0.0028 -0.0076 0.0011 3796 ARG 573 HA -0.0029 -0.0073 0.0018 3797 ARG 573 C -0.0023 -0.0069 0.0007 3798 ARG 573 O -0.0019 -0.0065 0.0001 3799 ARG 573 CB -0.0028 -0.0080 0.0005 3800 ARG 573 HB2 -0.0025 -0.0080 -0.0003 3801 ARG 573 HB3 -0.0026 -0.0076 0.0006 3802 ARG 573 CG -0.0033 -0.0090 0.0005 3803 ARG 573 HG2 -0.0034 -0.0095 0.0002 3804 ARG 573 HG3 -0.0036 -0.0091 0.0012 3805 ARG 573 CD -0.0032 -0.0094 -0.0000 3806 ARG 573 HD2 -0.0036 -0.0101 -0.0001 3807 ARG 573 HD3 -0.0032 -0.0090 0.0003 3808 ARG 573 NE -0.0027 -0.0091 -0.0010 3809 ARG 573 HE -0.0024 -0.0086 -0.0012 3810 ARG 573 CZ -0.0027 -0.0096 -0.0018 3811 ARG 573 NH1 -0.0030 -0.0103 -0.0019 3812 ARG 573 HH11 -0.0033 -0.0104 -0.0013 3813 ARG 573 HH12 -0.0029 -0.0105 -0.0026 3814 ARG 573 NH2 -0.0023 -0.0093 -0.0027 3815 ARG 573 HH21 -0.0020 -0.0089 -0.0027 3816 ARG 573 HH22 -0.0023 -0.0097 -0.0033 3817 THR 574 N -0.0023 -0.0066 0.0011 3818 THR 574 HN -0.0026 -0.0069 0.0016 3819 THR 574 CA -0.0018 -0.0058 0.0008 3820 THR 574 HA -0.0016 -0.0060 0.0000 3821 THR 574 C -0.0015 -0.0049 0.0011 3822 THR 574 O -0.0016 -0.0047 0.0020 3823 THR 574 CB -0.0018 -0.0058 0.0010 3824 THR 574 HB -0.0014 -0.0051 0.0009 3825 THR 574 OG1 -0.0022 -0.0059 0.0019 3826 THR 574 HG1 -0.0023 -0.0057 0.0024 3827 THR 574 CG2 -0.0019 -0.0065 0.0003 3828 THR 574 HG21 -0.0023 -0.0072 0.0004 3829 THR 574 HG22 -0.0016 -0.0064 -0.0005 3830 THR 574 HG23 -0.0019 -0.0064 0.0004 3831 LEU 575 N -0.0009 -0.0047 -0.0002 3832 LEU 575 HN -0.0007 -0.0049 -0.0009 3833 LEU 575 CA -0.0005 -0.0036 -0.0001 3834 LEU 575 HA -0.0007 -0.0036 0.0006 3835 LEU 575 C -0.0002 -0.0027 0.0002 3836 LEU 575 O 0.0002 -0.0024 -0.0005 3837 LEU 575 CB -0.0001 -0.0035 -0.0011 3838 LEU 575 HB2 -0.0000 -0.0040 -0.0018 3839 LEU 575 HB3 0.0003 -0.0027 -0.0013 3840 LEU 575 CG -0.0002 -0.0039 -0.0011 3841 LEU 575 HG 0.0001 -0.0038 -0.0019 3842 LEU 575 CD1 -0.0002 -0.0032 -0.0002 3843 LEU 575 HD11 -0.0006 -0.0033 0.0006 3844 LEU 575 HD12 0.0002 -0.0024 -0.0004 3845 LEU 575 HD13 -0.0003 -0.0035 -0.0003 3846 LEU 575 CD2 -0.0008 -0.0051 -0.0010 3847 LEU 575 HD21 -0.0012 -0.0053 -0.0001 3848 LEU 575 HD22 -0.0009 -0.0054 -0.0010 3849 LEU 575 HD23 -0.0008 -0.0056 -0.0016 3850 LEU 576 N -0.0004 -0.0023 0.0013 3851 LEU 576 HN -0.0007 -0.0025 0.0018 3852 LEU 576 CA -0.0002 -0.0016 0.0017 3853 LEU 576 HA -0.0000 -0.0016 0.0011 3854 LEU 576 C 0.0003 -0.0004 0.0018 3855 LEU 576 O 0.0002 -0.0001 0.0022 3856 LEU 576 CB -0.0007 -0.0018 0.0028 3857 LEU 576 HB2 -0.0010 -0.0020 0.0034 3858 LEU 576 HB3 -0.0005 -0.0010 0.0032 3859 LEU 576 CG -0.0010 -0.0026 0.0028 3860 LEU 576 HG -0.0007 -0.0024 0.0022 3861 LEU 576 CD1 -0.0014 -0.0038 0.0023 3862 LEU 576 HD11 -0.0016 -0.0040 0.0028 3863 LEU 576 HD12 -0.0011 -0.0038 0.0014 3864 LEU 576 HD13 -0.0016 -0.0043 0.0024 3865 LEU 576 CD2 -0.0014 -0.0026 0.0039 3866 LEU 576 HD21 -0.0017 -0.0027 0.0045 3867 LEU 576 HD22 -0.0017 -0.0032 0.0039 3868 LEU 576 HD23 -0.0012 -0.0018 0.0041 3869 ARG 577 N 0.0009 0.0008 0.0014 3870 ARG 577 HN 0.0010 0.0004 0.0010 3871 ARG 577 CA 0.0013 0.0021 0.0017 3872 ARG 577 HA 0.0013 0.0024 0.0022 3873 ARG 577 C 0.0011 0.0025 0.0027 3874 ARG 577 O 0.0011 0.0023 0.0024 3875 ARG 577 CB 0.0021 0.0030 0.0006 3876 ARG 577 HB2 0.0022 0.0030 0.0004 3877 ARG 577 HB3 0.0023 0.0040 0.0010 3878 ARG 577 CG 0.0024 0.0025 -0.0007 3879 ARG 577 HG2 0.0022 0.0016 -0.0011 3880 ARG 577 HG3 0.0023 0.0024 -0.0005 3881 ARG 577 CD 0.0032 0.0035 -0.0017 3882 ARG 577 HD2 0.0034 0.0031 -0.0026 3883 ARG 577 HD3 0.0034 0.0044 -0.0013 3884 ARG 577 NE 0.0033 0.0037 -0.0020 3885 ARG 577 HE 0.0030 0.0029 -0.0018 3886 ARG 577 CZ 0.0038 0.0048 -0.0021 3887 ARG 577 NH1 0.0043 0.0059 -0.0022 3888 ARG 577 HH11 0.0042 0.0060 -0.0019 3889 ARG 577 HH12 0.0047 0.0067 -0.0024 3890 ARG 577 NH2 0.0039 0.0047 -0.0023 3891 ARG 577 HH21 0.0035 0.0039 -0.0020 3892 ARG 577 HH22 0.0042 0.0056 -0.0022 3893 HIS 578 N 0.0008 0.0031 0.0039 3894 HIS 578 HN 0.0008 0.0032 0.0041 3895 HIS 578 CA 0.0006 0.0035 0.0050 3896 HIS 578 HA 0.0004 0.0029 0.0048 3897 HIS 578 C 0.0011 0.0049 0.0051 3898 HIS 578 O 0.0017 0.0054 0.0041 3899 HIS 578 CB -0.0001 0.0031 0.0063 3900 HIS 578 HB2 -0.0003 0.0033 0.0071 3901 HIS 578 HB3 0.0001 0.0038 0.0066 3902 HIS 578 CG -0.0006 0.0018 0.0063 3903 HIS 578 ND1 -0.0009 0.0007 0.0060 3904 HIS 578 HD1 -0.0007 0.0008 0.0057 3905 HIS 578 CD2 -0.0008 0.0013 0.0065 3906 HIS 578 HD2 -0.0007 0.0018 0.0066 3907 HIS 578 CE1 -0.0013 -0.0003 0.0061 3908 HIS 578 HE1 -0.0016 -0.0013 0.0059 3909 HIS 578 NE2 -0.0013 -0.0000 0.0063 3910 HIS 578 HE2 -0.0014 -0.0006 0.0060 3911 ASP 579 N 0.0009 0.0064 0.0068 3912 ASP 579 HN 0.0002 0.0059 0.0077 3913 ASP 579 CA 0.0013 0.0079 0.0073 3914 ASP 579 HA 0.0018 0.0082 0.0066 3915 ASP 579 C 0.0018 0.0089 0.0072 3916 ASP 579 O 0.0025 0.0101 0.0068 3917 ASP 579 CB 0.0006 0.0081 0.0089 3918 ASP 579 HB2 0.0003 0.0074 0.0089 3919 ASP 579 HB3 0.0010 0.0092 0.0093 3920 ASP 579 CG -0.0001 0.0076 0.0100 3921 ASP 579 OD1 -0.0004 0.0064 0.0096 3922 ASP 579 OD2 -0.0003 0.0083 0.0112 3923 ILE 580 N 0.0014 0.0084 0.0077 3924 ILE 580 HN 0.0008 0.0075 0.0081 3925 ILE 580 CA 0.0016 0.0090 0.0077 3926 ILE 580 HA 0.0015 0.0097 0.0087 3927 ILE 580 C 0.0026 0.0099 0.0065 3928 ILE 580 O 0.0029 0.0094 0.0052 3929 ILE 580 CB 0.0011 0.0078 0.0076 3930 ILE 580 HB 0.0013 0.0071 0.0065 3931 ILE 580 CG1 0.0002 0.0068 0.0087 3932 ILE 580 HG12 -0.0001 0.0074 0.0098 3933 ILE 580 HG13 0.0000 0.0064 0.0087 3934 ILE 580 CG2 0.0014 0.0085 0.0077 3935 ILE 580 HG21 0.0012 0.0093 0.0087 3936 ILE 580 HG22 0.0021 0.0091 0.0068 3937 ILE 580 HG23 0.0011 0.0077 0.0076 3938 ILE 580 CD1 -0.0003 0.0054 0.0085 3939 ILE 580 HD11 -0.0003 0.0057 0.0086 3940 ILE 580 HD12 -0.0001 0.0048 0.0074 3941 ILE 580 HD13 -0.0010 0.0047 0.0094 3942 ILE 581 N 0.0029 0.0115 0.0072 3943 ILE 581 HN 0.0025 0.0119 0.0083 3944 ILE 581 CA 0.0039 0.0128 0.0063 3945 ILE 581 HA 0.0041 0.0130 0.0060 3946 ILE 581 C 0.0044 0.0124 0.0048 3947 ILE 581 O 0.0050 0.0127 0.0036 3948 ILE 581 CB 0.0041 0.0143 0.0074 3949 ILE 581 HB 0.0039 0.0141 0.0076 3950 ILE 581 CG1 0.0036 0.0146 0.0090 3951 ILE 581 HG12 0.0029 0.0138 0.0097 3952 ILE 581 HG13 0.0038 0.0157 0.0096 3953 ILE 581 CG2 0.0052 0.0156 0.0066 3954 ILE 581 HG21 0.0055 0.0159 0.0062 3955 ILE 581 HG22 0.0056 0.0154 0.0055 3956 ILE 581 HG23 0.0053 0.0166 0.0073 3957 ILE 581 CD1 0.0037 0.0148 0.0090 3958 ILE 581 HD11 0.0034 0.0137 0.0085 3959 ILE 581 HD12 0.0044 0.0157 0.0084 3960 ILE 581 HD13 0.0033 0.0151 0.0102 3961 THR 582 N 0.0040 0.0118 0.0049 3962 THR 582 HN 0.0035 0.0117 0.0059 3963 THR 582 CA 0.0044 0.0114 0.0035 3964 THR 582 HA 0.0051 0.0122 0.0028 3965 THR 582 C 0.0041 0.0099 0.0026 3966 THR 582 O 0.0037 0.0087 0.0023 3967 THR 582 CB 0.0042 0.0114 0.0040 3968 THR 582 HB 0.0035 0.0104 0.0045 3969 THR 582 OG1 0.0044 0.0127 0.0051 3970 THR 582 HG1 0.0050 0.0135 0.0046 3971 THR 582 CG2 0.0048 0.0114 0.0026 3972 THR 582 HG21 0.0056 0.0123 0.0020 3973 THR 582 HG22 0.0047 0.0103 0.0017 3974 THR 582 HG23 0.0047 0.0114 0.0030 3975 LEU 583 N 0.0042 0.0097 0.0022 3976 LEU 583 HN 0.0045 0.0107 0.0026 3977 LEU 583 CA 0.0040 0.0084 0.0014 3978 LEU 583 HA 0.0033 0.0075 0.0020 3979 LEU 583 C 0.0045 0.0078 -0.0003 3980 LEU 583 O 0.0048 0.0073 -0.0014 3981 LEU 583 CB 0.0040 0.0087 0.0016 3982 LEU 583 HB2 0.0039 0.0077 0.0009 3983 LEU 583 HB3 0.0035 0.0087 0.0028 3984 LEU 583 CG 0.0049 0.0103 0.0012 3985 LEU 583 HG 0.0050 0.0113 0.0019 3986 LEU 583 CD1 0.0058 0.0105 -0.0005 3987 LEU 583 HD11 0.0058 0.0096 -0.0014 3988 LEU 583 HD12 0.0059 0.0105 -0.0008 3989 LEU 583 HD13 0.0064 0.0117 -0.0007 3990 LEU 583 CD2 0.0048 0.0105 0.0016 3991 LEU 583 HD21 0.0047 0.0095 0.0009 3992 LEU 583 HD22 0.0054 0.0116 0.0014 3993 LEU 583 HD23 0.0042 0.0104 0.0029 3994 LYS 584 N 0.0045 0.0076 -0.0005 3995 LYS 584 HN 0.0043 0.0081 0.0004 3996 LYS 584 CA 0.0048 0.0069 -0.0018 3997 LYS 584 HA 0.0049 0.0063 -0.0027 3998 LYS 584 C 0.0040 0.0056 -0.0013 3999 LYS 584 O 0.0038 0.0042 -0.0021 4000 LYS 584 CB 0.0057 0.0080 -0.0026 4001 LYS 584 HB2 0.0062 0.0089 -0.0029 4002 LYS 584 HB3 0.0055 0.0087 -0.0017 4003 LYS 584 CG 0.0060 0.0073 -0.0041 4004 LYS 584 HG2 0.0055 0.0064 -0.0037 4005 LYS 584 HG3 0.0061 0.0066 -0.0049 4006 LYS 584 CD 0.0069 0.0085 -0.0049 4007 LYS 584 HD2 0.0068 0.0092 -0.0040 4008 LYS 584 HD3 0.0074 0.0093 -0.0053 4009 LYS 584 CE 0.0072 0.0078 -0.0062 4010 LYS 584 HE2 0.0067 0.0071 -0.0058 4011 LYS 584 HE3 0.0079 0.0088 -0.0067 4012 LYS 584 NZ 0.0074 0.0069 -0.0075 4013 LYS 584 HZ1 0.0068 0.0059 -0.0072 4014 LYS 584 HZ2 0.0077 0.0066 -0.0085 4015 LYS 584 HZ3 0.0079 0.0076 -0.0079 4016 GLY 585 N 0.0032 0.0056 -0.0000 4017 GLY 585 HN 0.0034 0.0066 0.0005 4018 GLY 585 CA 0.0026 0.0046 0.0006 4019 GLY 585 HA2 0.0029 0.0048 0.0001 4020 GLY 585 HA3 0.0023 0.0050 0.0017 4021 GLY 585 C 0.0021 0.0030 0.0004 4022 GLY 585 O 0.0021 0.0022 -0.0005 4023 THR 586 N 0.0017 0.0026 0.0011 4024 THR 586 HN 0.0017 0.0034 0.0018 4025 THR 586 CA 0.0012 0.0012 0.0010 4026 THR 586 HA 0.0011 0.0014 0.0014 4027 THR 586 C 0.0005 0.0001 0.0019 4028 THR 586 O 0.0004 -0.0002 0.0016 4029 THR 586 CB 0.0016 0.0005 -0.0007 4030 THR 586 HB 0.0016 0.0002 -0.0012 4031 THR 586 OG1 0.0022 0.0016 -0.0015 4032 THR 586 HG1 0.0026 0.0023 -0.0016 4033 THR 586 CG2 0.0011 -0.0007 -0.0008 4034 THR 586 HG21 0.0011 -0.0004 -0.0003 4035 THR 586 HG22 0.0006 -0.0016 -0.0002 4036 THR 586 HG23 0.0014 -0.0012 -0.0019 4037 ASP 587 N -0.0004 -0.0007 0.0023 4038 ASP 587 HN -0.0002 -0.0004 0.0024 4039 ASP 587 CA -0.0008 -0.0016 0.0031 4040 ASP 587 HA -0.0009 -0.0017 0.0030 4041 ASP 587 C -0.0012 -0.0027 0.0029 4042 ASP 587 O -0.0012 -0.0028 0.0022 4043 ASP 587 CB -0.0009 -0.0011 0.0044 4044 ASP 587 HB2 -0.0006 -0.0004 0.0046 4045 ASP 587 HB3 -0.0013 -0.0017 0.0050 4046 ASP 587 CG -0.0008 -0.0007 0.0047 4047 ASP 587 OD1 -0.0004 0.0003 0.0046 4048 ASP 587 OD2 -0.0011 -0.0014 0.0050 4049 ARG 588 N -0.0017 -0.0036 0.0033 4050 ARG 588 HN -0.0017 -0.0035 0.0039 4051 ARG 588 CA -0.0021 -0.0047 0.0032 4052 ARG 588 HA -0.0020 -0.0048 0.0024 4053 ARG 588 C -0.0024 -0.0050 0.0042 4054 ARG 588 O -0.0027 -0.0054 0.0051 4055 ARG 588 CB -0.0024 -0.0055 0.0030 4056 ARG 588 HB2 -0.0022 -0.0053 0.0023 4057 ARG 588 HB3 -0.0025 -0.0054 0.0038 4058 ARG 588 CG -0.0029 -0.0067 0.0028 4059 ARG 588 HG2 -0.0027 -0.0068 0.0020 4060 ARG 588 HG3 -0.0031 -0.0070 0.0035 4061 ARG 588 CD -0.0032 -0.0076 0.0028 4062 ARG 588 HD2 -0.0030 -0.0074 0.0021 4063 ARG 588 HD3 -0.0035 -0.0084 0.0025 4064 ARG 588 NE -0.0034 -0.0076 0.0040 4065 ARG 588 HE -0.0035 -0.0075 0.0046 4066 ARG 588 CZ -0.0035 -0.0077 0.0043 4067 ARG 588 NH1 -0.0034 -0.0077 0.0035 4068 ARG 588 HH11 -0.0031 -0.0075 0.0027 4069 ARG 588 HH12 -0.0034 -0.0077 0.0037 4070 ARG 588 NH2 -0.0038 -0.0079 0.0054 4071 ARG 588 HH21 -0.0040 -0.0080 0.0060 4072 ARG 588 HH22 -0.0039 -0.0079 0.0056 4073 GLU 589 N -0.0028 -0.0051 0.0042 4074 GLU 589 HN -0.0026 -0.0048 0.0038 4075 GLU 589 CA -0.0030 -0.0053 0.0046 4076 GLU 589 HA -0.0032 -0.0055 0.0051 4077 GLU 589 C -0.0032 -0.0059 0.0042 4078 GLU 589 O -0.0031 -0.0058 0.0035 4079 GLU 589 CB -0.0027 -0.0047 0.0048 4080 GLU 589 HB2 -0.0025 -0.0045 0.0043 4081 GLU 589 HB3 -0.0029 -0.0050 0.0050 4082 GLU 589 CG -0.0026 -0.0042 0.0054 4083 GLU 589 HG2 -0.0024 -0.0038 0.0055 4084 GLU 589 HG3 -0.0025 -0.0040 0.0053 4085 GLU 589 CD -0.0028 -0.0045 0.0062 4086 GLU 589 OE1 -0.0028 -0.0044 0.0066 4087 GLU 589 OE2 -0.0030 -0.0048 0.0064 4088 ARG 590 N -0.0035 -0.0065 0.0045 4089 ARG 590 HN -0.0036 -0.0065 0.0051 4090 ARG 590 CA -0.0038 -0.0071 0.0042 4091 ARG 590 HA -0.0037 -0.0071 0.0036 4092 ARG 590 C -0.0037 -0.0069 0.0044 4093 ARG 590 O -0.0037 -0.0067 0.0051 4094 ARG 590 CB -0.0042 -0.0077 0.0045 4095 ARG 590 HB2 -0.0042 -0.0077 0.0045 4096 ARG 590 HB3 -0.0043 -0.0078 0.0051 4097 ARG 590 CG -0.0044 -0.0084 0.0041 4098 ARG 590 HG2 -0.0043 -0.0084 0.0035 4099 ARG 590 HG3 -0.0044 -0.0084 0.0040 4100 ARG 590 CD -0.0048 -0.0091 0.0043 4101 ARG 590 HD2 -0.0048 -0.0090 0.0046 4102 ARG 590 HD3 -0.0049 -0.0094 0.0038 4103 ARG 590 NE -0.0050 -0.0094 0.0048 4104 ARG 590 HE -0.0050 -0.0093 0.0054 4105 ARG 590 CZ -0.0052 -0.0098 0.0046 4106 ARG 590 NH1 -0.0051 -0.0099 0.0038 4107 ARG 590 HH11 -0.0050 -0.0098 0.0035 4108 ARG 590 HH12 -0.0053 -0.0102 0.0037 4109 ARG 590 NH2 -0.0054 -0.0101 0.0051 4110 ARG 590 HH21 -0.0055 -0.0102 0.0056 4111 ARG 590 HH22 -0.0055 -0.0104 0.0049 4112 CYS 591 N -0.0035 -0.0074 0.0038 4113 CYS 591 HN -0.0035 -0.0076 0.0034 4114 CYS 591 CA -0.0035 -0.0073 0.0039 4115 CYS 591 HA -0.0036 -0.0071 0.0044 4116 CYS 591 C -0.0038 -0.0079 0.0039 4117 CYS 591 O -0.0039 -0.0083 0.0035 4118 CYS 591 CB -0.0032 -0.0069 0.0035 4119 CYS 591 HB2 -0.0030 -0.0065 0.0036 4120 CYS 591 HB3 -0.0032 -0.0069 0.0035 4121 CYS 591 SG -0.0030 -0.0071 0.0027 4122 CYS 591 HG -0.0030 -0.0069 0.0027 4123 ILE 592 N -0.0040 -0.0079 0.0044 4124 ILE 592 HN -0.0039 -0.0076 0.0047 4125 ILE 592 CA -0.0042 -0.0084 0.0045 4126 ILE 592 HA -0.0043 -0.0087 0.0041 4127 ILE 592 C -0.0041 -0.0082 0.0044 4128 ILE 592 O -0.0040 -0.0078 0.0048 4129 ILE 592 CB -0.0046 -0.0086 0.0051 4130 ILE 592 HB -0.0045 -0.0083 0.0054 4131 ILE 592 CG1 -0.0047 -0.0089 0.0051 4132 ILE 592 HG12 -0.0049 -0.0091 0.0056 4133 ILE 592 HG13 -0.0048 -0.0093 0.0048 4134 ILE 592 CG2 -0.0048 -0.0091 0.0052 4135 ILE 592 HG21 -0.0049 -0.0094 0.0049 4136 ILE 592 HG22 -0.0047 -0.0088 0.0053 4137 ILE 592 HG23 -0.0050 -0.0092 0.0057 4138 ILE 592 CD1 -0.0045 -0.0085 0.0051 4139 ILE 592 HD11 -0.0044 -0.0081 0.0054 4140 ILE 592 HD12 -0.0043 -0.0084 0.0047 4141 ILE 592 HD13 -0.0047 -0.0088 0.0053 4142 PHE 593 N -0.0041 -0.0085 0.0040 4143 PHE 593 HN -0.0041 -0.0088 0.0037 4144 PHE 593 CA -0.0040 -0.0085 0.0039 4145 PHE 593 HA -0.0039 -0.0081 0.0041 4146 PHE 593 C -0.0044 -0.0089 0.0041 4147 PHE 593 O -0.0046 -0.0094 0.0039 4148 PHE 593 CB -0.0038 -0.0086 0.0032 4149 PHE 593 HB2 -0.0039 -0.0090 0.0030 4150 PHE 593 HB3 -0.0038 -0.0087 0.0032 4151 PHE 593 CG -0.0033 -0.0081 0.0029 4152 PHE 593 CD1 -0.0031 -0.0078 0.0027 4153 PHE 593 HD1 -0.0031 -0.0079 0.0028 4154 PHE 593 CD2 -0.0032 -0.0080 0.0029 4155 PHE 593 HD2 -0.0034 -0.0082 0.0030 4156 PHE 593 CE1 -0.0027 -0.0074 0.0025 4157 PHE 593 HE1 -0.0025 -0.0071 0.0023 4158 PHE 593 CE2 -0.0028 -0.0075 0.0026 4159 PHE 593 HE2 -0.0027 -0.0074 0.0025 4160 PHE 593 CZ -0.0026 -0.0072 0.0024 4161 PHE 593 HZ -0.0022 -0.0069 0.0022 4162 MET 594 N -0.0045 -0.0088 0.0046 4163 MET 594 HN -0.0044 -0.0084 0.0048 4164 MET 594 CA -0.0049 -0.0092 0.0048 4165 MET 594 HA -0.0051 -0.0096 0.0046 4166 MET 594 C -0.0047 -0.0091 0.0046 4167 MET 594 O -0.0044 -0.0088 0.0042 4168 MET 594 CB -0.0052 -0.0090 0.0055 4169 MET 594 HB2 -0.0054 -0.0093 0.0057 4170 MET 594 HB3 -0.0050 -0.0086 0.0057 4171 MET 594 CG -0.0053 -0.0091 0.0057 4172 MET 594 HG2 -0.0051 -0.0088 0.0056 4173 MET 594 HG3 -0.0054 -0.0095 0.0055 4174 MET 594 SD -0.0057 -0.0091 0.0065 4175 MET 594 CE -0.0055 -0.0084 0.0069 4176 MET 594 HE1 -0.0057 -0.0084 0.0074 4177 MET 594 HE2 -0.0054 -0.0084 0.0068 4178 MET 594 HE3 -0.0052 -0.0081 0.0067 4179 LEU 595 N -0.0053 -0.0092 0.0050 4180 LEU 595 HN -0.0056 -0.0094 0.0052 4181 LEU 595 CA -0.0052 -0.0092 0.0048 4182 LEU 595 HA -0.0049 -0.0092 0.0044 4183 LEU 595 C -0.0050 -0.0087 0.0051 4184 LEU 595 O -0.0047 -0.0084 0.0048 4185 LEU 595 CB -0.0056 -0.0097 0.0048 4186 LEU 595 HB2 -0.0058 -0.0097 0.0053 4187 LEU 595 HB3 -0.0054 -0.0096 0.0048 4188 LEU 595 CG -0.0057 -0.0103 0.0044 4189 LEU 595 HG -0.0054 -0.0102 0.0040 4190 LEU 595 CD1 -0.0060 -0.0105 0.0046 4191 LEU 595 HD11 -0.0062 -0.0106 0.0050 4192 LEU 595 HD12 -0.0058 -0.0102 0.0045 4193 LEU 595 HD13 -0.0061 -0.0109 0.0043 4194 LEU 595 CD2 -0.0060 -0.0107 0.0044 4195 LEU 595 HD21 -0.0063 -0.0107 0.0048 4196 LEU 595 HD22 -0.0061 -0.0111 0.0041 4197 LEU 595 HD23 -0.0058 -0.0105 0.0043 4198 SER 596 N -0.0052 -0.0085 0.0057 4199 SER 596 HN -0.0055 -0.0087 0.0059 4200 SER 596 CA -0.0051 -0.0080 0.0060 4201 SER 596 HA -0.0049 -0.0079 0.0058 4202 SER 596 C -0.0047 -0.0075 0.0060 4203 SER 596 O -0.0044 -0.0071 0.0059 4204 SER 596 CB -0.0054 -0.0080 0.0066 4205 SER 596 HB2 -0.0053 -0.0076 0.0069 4206 SER 596 HB3 -0.0056 -0.0080 0.0069 4207 SER 596 OG -0.0057 -0.0084 0.0066 4208 SER 596 HG -0.0059 -0.0083 0.0070 4209 ASP 597 N -0.0045 -0.0073 0.0065 4210 ASP 597 HN -0.0048 -0.0078 0.0066 4211 ASP 597 CA -0.0043 -0.0069 0.0066 4212 ASP 597 HA -0.0041 -0.0064 0.0067 4213 ASP 597 C -0.0041 -0.0069 0.0060 4214 ASP 597 O -0.0043 -0.0075 0.0057 4215 ASP 597 CB -0.0046 -0.0069 0.0073 4216 ASP 597 HB2 -0.0044 -0.0065 0.0073 4217 ASP 597 HB3 -0.0048 -0.0074 0.0072 4218 ASP 597 CG -0.0048 -0.0069 0.0079 4219 ASP 597 OD1 -0.0047 -0.0064 0.0083 4220 ASP 597 OD2 -0.0050 -0.0073 0.0080 4221 LEU 598 N -0.0038 -0.0064 0.0059 4222 LEU 598 HN -0.0037 -0.0060 0.0062 4223 LEU 598 CA -0.0036 -0.0063 0.0054 4224 LEU 598 HA -0.0038 -0.0068 0.0052 4225 LEU 598 C -0.0036 -0.0060 0.0059 4226 LEU 598 O -0.0035 -0.0055 0.0062 4227 LEU 598 CB -0.0032 -0.0059 0.0049 4228 LEU 598 HB2 -0.0033 -0.0062 0.0046 4229 LEU 598 HB3 -0.0031 -0.0054 0.0051 4230 LEU 598 CG -0.0030 -0.0057 0.0044 4231 LEU 598 HG -0.0029 -0.0054 0.0047 4232 LEU 598 CD1 -0.0031 -0.0063 0.0041 4233 LEU 598 HD11 -0.0032 -0.0067 0.0038 4234 LEU 598 HD12 -0.0034 -0.0065 0.0044 4235 LEU 598 HD13 -0.0029 -0.0062 0.0037 4236 LEU 598 CD2 -0.0026 -0.0054 0.0038 4237 LEU 598 HD21 -0.0027 -0.0057 0.0035 4238 LEU 598 HD22 -0.0024 -0.0053 0.0035 4239 LEU 598 HD23 -0.0025 -0.0050 0.0040 4240 LEU 599 N -0.0037 -0.0062 0.0059 4241 LEU 599 HN -0.0039 -0.0067 0.0057 4242 LEU 599 CA -0.0038 -0.0061 0.0063 4243 LEU 599 HA -0.0037 -0.0056 0.0066 4244 LEU 599 C -0.0037 -0.0060 0.0059 4245 LEU 599 O -0.0037 -0.0064 0.0054 4246 LEU 599 CB -0.0041 -0.0065 0.0069 4247 LEU 599 HB2 -0.0041 -0.0062 0.0073 4248 LEU 599 HB3 -0.0042 -0.0065 0.0072 4249 LEU 599 CG -0.0044 -0.0072 0.0068 4250 LEU 599 HG -0.0043 -0.0074 0.0063 4251 LEU 599 CD1 -0.0044 -0.0072 0.0068 4252 LEU 599 HD11 -0.0044 -0.0070 0.0073 4253 LEU 599 HD12 -0.0042 -0.0070 0.0064 4254 LEU 599 HD13 -0.0046 -0.0077 0.0067 4255 LEU 599 CD2 -0.0047 -0.0076 0.0073 4256 LEU 599 HD21 -0.0048 -0.0075 0.0078 4257 LEU 599 HD22 -0.0049 -0.0081 0.0072 4258 LEU 599 HD23 -0.0047 -0.0077 0.0072 4259 LEU 600 N -0.0035 -0.0056 0.0062 4260 LEU 600 HN -0.0035 -0.0053 0.0066 4261 LEU 600 CA -0.0034 -0.0054 0.0059 4262 LEU 600 HA -0.0034 -0.0057 0.0054 4263 LEU 600 C -0.0036 -0.0056 0.0064 4264 LEU 600 O -0.0037 -0.0054 0.0070 4265 LEU 600 CB -0.0030 -0.0047 0.0057 4266 LEU 600 HB2 -0.0030 -0.0044 0.0062 4267 LEU 600 HB3 -0.0030 -0.0047 0.0055 4268 LEU 600 CG -0.0028 -0.0045 0.0052 4269 LEU 600 HG -0.0026 -0.0040 0.0051 4270 LEU 600 CD1 -0.0028 -0.0049 0.0045 4271 LEU 600 HD11 -0.0030 -0.0053 0.0046 4272 LEU 600 HD12 -0.0028 -0.0049 0.0043 4273 LEU 600 HD13 -0.0026 -0.0046 0.0041 4274 LEU 600 CD2 -0.0028 -0.0043 0.0054 4275 LEU 600 HD21 -0.0030 -0.0047 0.0055 4276 LEU 600 HD22 -0.0026 -0.0040 0.0051 4277 LEU 600 HD23 -0.0028 -0.0040 0.0059 4278 VAL 601 N -0.0036 -0.0063 0.0059 4279 VAL 601 HN -0.0037 -0.0065 0.0054 4280 VAL 601 CA -0.0039 -0.0067 0.0063 4281 VAL 601 HA -0.0038 -0.0064 0.0068 4282 VAL 601 C -0.0038 -0.0067 0.0060 4283 VAL 601 O -0.0038 -0.0069 0.0054 4284 VAL 601 CB -0.0042 -0.0073 0.0065 4285 VAL 601 HB -0.0041 -0.0072 0.0066 4286 VAL 601 CG1 -0.0044 -0.0075 0.0072 4287 VAL 601 HG11 -0.0044 -0.0076 0.0072 4288 VAL 601 HG12 -0.0046 -0.0080 0.0073 4289 VAL 601 HG13 -0.0043 -0.0072 0.0076 4290 VAL 601 CG2 -0.0043 -0.0078 0.0059 4291 VAL 601 HG21 -0.0044 -0.0079 0.0058 4292 VAL 601 HG22 -0.0042 -0.0076 0.0054 4293 VAL 601 HG23 -0.0046 -0.0082 0.0060 4294 THR 602 N -0.0038 -0.0065 0.0065 4295 THR 602 HN -0.0038 -0.0064 0.0070 4296 THR 602 CA -0.0038 -0.0065 0.0063 4297 THR 602 HA -0.0037 -0.0064 0.0058 4298 THR 602 C -0.0041 -0.0072 0.0064 4299 THR 602 O -0.0043 -0.0074 0.0070 4300 THR 602 CB -0.0036 -0.0060 0.0067 4301 THR 602 HB -0.0038 -0.0062 0.0073 4302 THR 602 OG1 -0.0034 -0.0054 0.0068 4303 THR 602 HG1 -0.0033 -0.0053 0.0064 4304 THR 602 CG2 -0.0035 -0.0059 0.0064 4305 THR 602 HG21 -0.0034 -0.0057 0.0059 4306 THR 602 HG22 -0.0037 -0.0063 0.0063 4307 THR 602 HG23 -0.0034 -0.0055 0.0067 4308 SER 603 N -0.0044 -0.0078 0.0053 4309 SER 603 HN -0.0043 -0.0075 0.0048 4310 SER 603 CA -0.0046 -0.0086 0.0053 4311 SER 603 HA -0.0047 -0.0090 0.0058 4312 SER 603 C -0.0046 -0.0088 0.0054 4313 SER 603 O -0.0046 -0.0084 0.0049 4314 SER 603 CB -0.0048 -0.0090 0.0044 4315 SER 603 HB2 -0.0050 -0.0097 0.0044 4316 SER 603 HB3 -0.0048 -0.0087 0.0039 4317 SER 603 OG -0.0048 -0.0090 0.0043 4318 SER 603 HG -0.0049 -0.0094 0.0047 4319 VAL 604 N -0.0047 -0.0093 0.0060 4320 VAL 604 HN -0.0048 -0.0096 0.0064 4321 VAL 604 CA -0.0047 -0.0094 0.0063 4322 VAL 604 HA -0.0047 -0.0092 0.0058 4323 VAL 604 C -0.0050 -0.0103 0.0064 4324 VAL 604 O -0.0050 -0.0105 0.0068 4325 VAL 604 CB -0.0045 -0.0089 0.0070 4326 VAL 604 HB -0.0045 -0.0090 0.0072 4327 VAL 604 CG1 -0.0042 -0.0080 0.0068 4328 VAL 604 HG11 -0.0042 -0.0078 0.0067 4329 VAL 604 HG12 -0.0043 -0.0078 0.0062 4330 VAL 604 HG13 -0.0041 -0.0076 0.0073 4331 VAL 604 CG2 -0.0044 -0.0090 0.0079 4332 VAL 604 HG21 -0.0044 -0.0089 0.0078 4333 VAL 604 HG22 -0.0042 -0.0087 0.0084 4334 VAL 604 HG23 -0.0046 -0.0097 0.0081 4335 LYS 605 N -0.0060 -0.0117 0.0064 4336 LYS 605 HN -0.0059 -0.0122 0.0071 4337 LYS 605 CA -0.0066 -0.0131 0.0062 4338 LYS 605 HA -0.0066 -0.0122 0.0054 4339 LYS 605 C -0.0077 -0.0146 0.0047 4340 LYS 605 O -0.0082 -0.0141 0.0030 4341 LYS 605 CB -0.0061 -0.0140 0.0082 4342 LYS 605 HB2 -0.0054 -0.0128 0.0091 4343 LYS 605 HB3 -0.0062 -0.0150 0.0090 4344 LYS 605 CG -0.0066 -0.0151 0.0081 4345 LYS 605 HG2 -0.0073 -0.0163 0.0071 4346 LYS 605 HG3 -0.0064 -0.0140 0.0075 4347 LYS 605 CD -0.0061 -0.0160 0.0101 4348 LYS 605 HD2 -0.0062 -0.0171 0.0108 4349 LYS 605 HD3 -0.0053 -0.0148 0.0111 4350 LYS 605 CE -0.0065 -0.0171 0.0100 4351 LYS 605 HE2 -0.0063 -0.0160 0.0095 4352 LYS 605 HE3 -0.0073 -0.0183 0.0091 4353 LYS 605 NZ -0.0060 -0.0180 0.0120 4354 LYS 605 HZ1 -0.0053 -0.0169 0.0130 4355 LYS 605 HZ2 -0.0063 -0.0186 0.0120 4356 LYS 605 HZ3 -0.0062 -0.0191 0.0126 4357 LYS 606 N -0.0081 -0.0166 0.0055 4358 LYS 606 HN -0.0077 -0.0169 0.0069 4359 LYS 606 CA -0.0091 -0.0182 0.0043 4360 LYS 606 HA -0.0095 -0.0177 0.0028 4361 LYS 606 C -0.0093 -0.0187 0.0043 4362 LYS 606 O -0.0100 -0.0190 0.0028 4363 LYS 606 CB -0.0095 -0.0201 0.0050 4364 LYS 606 HB2 -0.0093 -0.0196 0.0051 4365 LYS 606 HB3 -0.0092 -0.0208 0.0065 4366 LYS 606 CG -0.0106 -0.0217 0.0035 4367 LYS 606 HG2 -0.0108 -0.0223 0.0035 4368 LYS 606 HG3 -0.0109 -0.0210 0.0020 4369 LYS 606 CD -0.0110 -0.0234 0.0041 4370 LYS 606 HD2 -0.0107 -0.0241 0.0056 4371 LYS 606 HD3 -0.0108 -0.0228 0.0042 4372 LYS 606 CE -0.0121 -0.0251 0.0027 4373 LYS 606 HE2 -0.0124 -0.0257 0.0026 4374 LYS 606 HE3 -0.0123 -0.0263 0.0033 4375 LYS 606 NZ -0.0126 -0.0243 0.0007 4376 LYS 606 HZ1 -0.0124 -0.0232 0.0001 4377 LYS 606 HZ2 -0.0134 -0.0255 -0.0002 4378 LYS 606 HZ3 -0.0124 -0.0239 0.0007 4379 LYS 607 N -0.0076 -0.0178 0.0056 4380 LYS 607 HN -0.0070 -0.0182 0.0061 4381 LYS 607 CA -0.0073 -0.0171 0.0056 4382 LYS 607 HA -0.0079 -0.0171 0.0051 4383 LYS 607 C -0.0069 -0.0158 0.0054 4384 LYS 607 O -0.0062 -0.0157 0.0059 4385 LYS 607 CB -0.0064 -0.0175 0.0063 4386 LYS 607 HB2 -0.0063 -0.0184 0.0067 4387 LYS 607 HB3 -0.0056 -0.0169 0.0066 4388 LYS 607 CG -0.0066 -0.0177 0.0062 4389 LYS 607 HG2 -0.0074 -0.0183 0.0059 4390 LYS 607 HG3 -0.0061 -0.0182 0.0067 4391 LYS 607 CD -0.0066 -0.0166 0.0059 4392 LYS 607 HD2 -0.0073 -0.0161 0.0053 4393 LYS 607 HD3 -0.0059 -0.0160 0.0062 4394 LYS 607 CE -0.0066 -0.0168 0.0059 4395 LYS 607 HE2 -0.0059 -0.0172 0.0065 4396 LYS 607 HE3 -0.0073 -0.0174 0.0056 4397 LYS 607 NZ -0.0066 -0.0156 0.0056 4398 LYS 607 HZ1 -0.0062 -0.0149 0.0056 4399 LYS 607 HZ2 -0.0062 -0.0157 0.0059 4400 LYS 607 HZ3 -0.0073 -0.0155 0.0051 4401 PRO 608 N -0.0073 -0.0148 0.0048 4402 PRO 608 CA -0.0071 -0.0137 0.0046 4403 PRO 608 HA -0.0072 -0.0138 0.0046 4404 PRO 608 C -0.0059 -0.0130 0.0052 4405 PRO 608 O -0.0058 -0.0121 0.0050 4406 PRO 608 CB -0.0079 -0.0130 0.0039 4407 PRO 608 HB2 -0.0077 -0.0125 0.0039 4408 PRO 608 HB3 -0.0081 -0.0123 0.0035 4409 PRO 608 CG -0.0089 -0.0139 0.0035 4410 PRO 608 HG2 -0.0093 -0.0142 0.0034 4411 PRO 608 HG3 -0.0094 -0.0136 0.0031 4412 PRO 608 CD -0.0084 -0.0149 0.0042 4413 PRO 608 HD2 -0.0089 -0.0158 0.0041 4414 PRO 608 HD3 -0.0082 -0.0148 0.0042 4415 LYS 609 N -0.0059 -0.0121 0.0069 4416 LYS 609 HN -0.0059 -0.0124 0.0070 4417 LYS 609 CA -0.0054 -0.0116 0.0074 4418 LYS 609 HA -0.0054 -0.0117 0.0075 4419 LYS 609 C -0.0051 -0.0107 0.0072 4420 LYS 609 O -0.0051 -0.0105 0.0068 4421 LYS 609 CB -0.0052 -0.0119 0.0083 4422 LYS 609 HB2 -0.0048 -0.0115 0.0087 4423 LYS 609 HB3 -0.0054 -0.0125 0.0085 4424 LYS 609 CG -0.0051 -0.0118 0.0085 4425 LYS 609 HG2 -0.0054 -0.0122 0.0081 4426 LYS 609 HG3 -0.0049 -0.0112 0.0082 4427 LYS 609 CD -0.0048 -0.0120 0.0094 4428 LYS 609 HD2 -0.0050 -0.0127 0.0096 4429 LYS 609 HD3 -0.0045 -0.0116 0.0097 4430 LYS 609 CE -0.0048 -0.0120 0.0096 4431 LYS 609 HE2 -0.0045 -0.0114 0.0094 4432 LYS 609 HE3 -0.0051 -0.0124 0.0092 4433 LYS 609 NZ -0.0045 -0.0122 0.0104 4434 LYS 609 HZ1 -0.0042 -0.0119 0.0108 4435 LYS 609 HZ2 -0.0045 -0.0122 0.0106 4436 LYS 609 HZ3 -0.0047 -0.0128 0.0106 4437 VAL 610 N -0.0048 -0.0102 0.0073 4438 VAL 610 HN -0.0048 -0.0104 0.0076 4439 VAL 610 CA -0.0045 -0.0093 0.0070 4440 VAL 610 HA -0.0045 -0.0092 0.0068 4441 VAL 610 C -0.0040 -0.0088 0.0078 4442 VAL 610 O -0.0039 -0.0090 0.0083 4443 VAL 610 CB -0.0046 -0.0090 0.0063 4444 VAL 610 HB -0.0044 -0.0084 0.0061 4445 VAL 610 CG1 -0.0046 -0.0091 0.0065 4446 VAL 610 HG11 -0.0048 -0.0097 0.0066 4447 VAL 610 HG12 -0.0046 -0.0087 0.0060 4448 VAL 610 HG13 -0.0042 -0.0088 0.0071 4449 VAL 610 CG2 -0.0051 -0.0094 0.0056 4450 VAL 610 HG21 -0.0054 -0.0101 0.0057 4451 VAL 610 HG22 -0.0052 -0.0094 0.0054 4452 VAL 610 HG23 -0.0052 -0.0091 0.0050 4453 LEU 611 N -0.0044 -0.0079 0.0078 4454 LEU 611 HN -0.0043 -0.0078 0.0074 4455 LEU 611 CA -0.0043 -0.0074 0.0084 4456 LEU 611 HA -0.0044 -0.0076 0.0088 4457 LEU 611 C -0.0040 -0.0068 0.0081 4458 LEU 611 O -0.0039 -0.0065 0.0076 4459 LEU 611 CB -0.0042 -0.0072 0.0087 4460 LEU 611 HB2 -0.0044 -0.0076 0.0088 4461 LEU 611 HB3 -0.0041 -0.0069 0.0082 4462 LEU 611 CG -0.0040 -0.0067 0.0094 4463 LEU 611 HG -0.0041 -0.0068 0.0098 4464 LEU 611 CD1 -0.0041 -0.0068 0.0098 4465 LEU 611 HD11 -0.0040 -0.0066 0.0094 4466 LEU 611 HD12 -0.0043 -0.0073 0.0099 4467 LEU 611 HD13 -0.0040 -0.0064 0.0102 4468 LEU 611 CD2 -0.0037 -0.0059 0.0092 4469 LEU 611 HD21 -0.0036 -0.0057 0.0088 4470 LEU 611 HD22 -0.0036 -0.0056 0.0097 4471 LEU 611 HD23 -0.0037 -0.0058 0.0090 4472 TYR 612 N -0.0040 -0.0066 0.0085 4473 TYR 612 HN -0.0040 -0.0068 0.0090 4474 TYR 612 CA -0.0038 -0.0062 0.0082 4475 TYR 612 HA -0.0038 -0.0062 0.0076 4476 TYR 612 C -0.0035 -0.0054 0.0084 4477 TYR 612 O -0.0034 -0.0052 0.0089 4478 TYR 612 CB -0.0039 -0.0066 0.0083 4479 TYR 612 HB2 -0.0039 -0.0065 0.0078 4480 TYR 612 HB3 -0.0042 -0.0071 0.0084 4481 TYR 612 CG -0.0039 -0.0064 0.0089 4482 TYR 612 CD1 -0.0039 -0.0062 0.0096 4483 TYR 612 HD1 -0.0039 -0.0063 0.0098 4484 TYR 612 CD2 -0.0039 -0.0063 0.0088 4485 TYR 612 HD2 -0.0039 -0.0064 0.0083 4486 TYR 612 CE1 -0.0038 -0.0060 0.0102 4487 TYR 612 HE1 -0.0038 -0.0059 0.0107 4488 TYR 612 CE2 -0.0038 -0.0061 0.0093 4489 TYR 612 HE2 -0.0038 -0.0061 0.0092 4490 TYR 612 CZ -0.0038 -0.0060 0.0100 4491 TYR 612 OH -0.0038 -0.0058 0.0106 4492 TYR 612 HH -0.0038 -0.0059 0.0104 4493 SER 613 N -0.0038 -0.0048 0.0082 4494 SER 613 HN -0.0037 -0.0051 0.0077 4495 SER 613 CA -0.0036 -0.0043 0.0083 4496 SER 613 HA -0.0037 -0.0042 0.0089 4497 SER 613 C -0.0036 -0.0046 0.0080 4498 SER 613 O -0.0038 -0.0052 0.0078 4499 SER 613 CB -0.0032 -0.0036 0.0079 4500 SER 613 HB2 -0.0031 -0.0038 0.0073 4501 SER 613 HB3 -0.0032 -0.0034 0.0081 4502 SER 613 OG -0.0031 -0.0031 0.0081 4503 SER 613 HG -0.0029 -0.0027 0.0079 4504 LYS 614 N -0.0035 -0.0042 0.0080 4505 LYS 614 HN -0.0034 -0.0037 0.0082 4506 LYS 614 CA -0.0035 -0.0045 0.0078 4507 LYS 614 HA -0.0035 -0.0048 0.0073 4508 LYS 614 C -0.0033 -0.0039 0.0077 4509 LYS 614 O -0.0032 -0.0034 0.0080 4510 LYS 614 CB -0.0039 -0.0050 0.0083 4511 LYS 614 HB2 -0.0040 -0.0054 0.0083 4512 LYS 614 HB3 -0.0039 -0.0047 0.0089 4513 LYS 614 CG -0.0039 -0.0053 0.0082 4514 LYS 614 HG2 -0.0038 -0.0054 0.0076 4515 LYS 614 HG3 -0.0042 -0.0059 0.0083 4516 LYS 614 CD -0.0039 -0.0049 0.0085 4517 LYS 614 HD2 -0.0039 -0.0051 0.0083 4518 LYS 614 HD3 -0.0037 -0.0044 0.0084 4519 LYS 614 CE -0.0041 -0.0049 0.0093 4520 LYS 614 HE2 -0.0041 -0.0047 0.0095 4521 LYS 614 HE3 -0.0041 -0.0047 0.0096 4522 LYS 614 NZ -0.0044 -0.0057 0.0095 4523 LYS 614 HZ1 -0.0044 -0.0059 0.0092 4524 LYS 614 HZ2 -0.0046 -0.0057 0.0101 4525 LYS 614 HZ3 -0.0045 -0.0059 0.0094 4526 MET 615 N -0.0037 -0.0035 0.0077 4527 MET 615 HN -0.0037 -0.0041 0.0073 4528 MET 615 CA -0.0035 -0.0033 0.0075 4529 MET 615 HA -0.0035 -0.0027 0.0079 4530 MET 615 C -0.0038 -0.0040 0.0076 4531 MET 615 O -0.0040 -0.0047 0.0073 4532 MET 615 CB -0.0030 -0.0030 0.0066 4533 MET 615 HB2 -0.0029 -0.0030 0.0065 4534 MET 615 HB3 -0.0030 -0.0035 0.0062 4535 MET 615 CG -0.0026 -0.0022 0.0065 4536 MET 615 HG2 -0.0026 -0.0017 0.0070 4537 MET 615 HG3 -0.0022 -0.0021 0.0059 4538 MET 615 SD -0.0026 -0.0021 0.0066 4539 MET 615 CE -0.0019 -0.0013 0.0060 4540 MET 615 HE1 -0.0019 -0.0012 0.0059 4541 MET 615 HE2 -0.0018 -0.0007 0.0063 4542 MET 615 HE3 -0.0017 -0.0015 0.0054 4543 SER 616 N -0.0038 -0.0037 0.0079 4544 SER 616 HN -0.0038 -0.0031 0.0082 4545 SER 616 CA -0.0040 -0.0042 0.0078 4546 SER 616 HA -0.0043 -0.0048 0.0080 4547 SER 616 C -0.0036 -0.0043 0.0069 4548 SER 616 O -0.0032 -0.0037 0.0065 4549 SER 616 CB -0.0041 -0.0038 0.0084 4550 SER 616 HB2 -0.0042 -0.0041 0.0083 4551 SER 616 HB3 -0.0038 -0.0031 0.0082 4552 SER 616 OG -0.0045 -0.0036 0.0092 4553 SER 616 HG -0.0048 -0.0042 0.0094 4554 SER 617 N -0.0041 -0.0050 0.0069 4555 SER 617 HN -0.0045 -0.0055 0.0073 4556 SER 617 CA -0.0038 -0.0054 0.0059 4557 SER 617 HA -0.0035 -0.0053 0.0055 4558 SER 617 C -0.0034 -0.0049 0.0055 4559 SER 617 O -0.0033 -0.0053 0.0051 4560 SER 617 CB -0.0040 -0.0065 0.0059 4561 SER 617 HB2 -0.0041 -0.0069 0.0059 4562 SER 617 HB3 -0.0037 -0.0068 0.0052 4563 SER 617 OG -0.0044 -0.0069 0.0065 4564 SER 617 HG -0.0047 -0.0071 0.0070 4565 GLN 618 N -0.0033 -0.0039 0.0057 4566 GLN 618 HN -0.0034 -0.0035 0.0060 4567 GLN 618 CA -0.0029 -0.0032 0.0053 4568 GLN 618 HA -0.0029 -0.0037 0.0050 4569 GLN 618 C -0.0024 -0.0027 0.0045 4570 GLN 618 O -0.0024 -0.0020 0.0047 4571 GLN 618 CB -0.0032 -0.0025 0.0060 4572 GLN 618 HB2 -0.0035 -0.0030 0.0066 4573 GLN 618 HB3 -0.0032 -0.0020 0.0063 4574 GLN 618 CG -0.0029 -0.0021 0.0058 4575 GLN 618 HG2 -0.0032 -0.0019 0.0065 4576 GLN 618 HG3 -0.0028 -0.0026 0.0054 4577 GLN 618 CD -0.0025 -0.0011 0.0054 4578 GLN 618 OE1 -0.0024 -0.0006 0.0053 4579 GLN 618 NE2 -0.0022 -0.0007 0.0051 4580 GLN 618 HE21 -0.0020 -0.0001 0.0048 4581 GLN 618 HE22 -0.0024 -0.0011 0.0051 4582 SER 619 N -0.0020 -0.0030 0.0041 4583 SER 619 HN -0.0021 -0.0036 0.0039 4584 SER 619 CA -0.0015 -0.0028 0.0032 4585 SER 619 HA -0.0015 -0.0023 0.0036 4586 SER 619 C -0.0008 -0.0021 0.0023 4587 SER 619 O -0.0006 -0.0012 0.0026 4588 SER 619 CB -0.0017 -0.0040 0.0028 4589 SER 619 HB2 -0.0022 -0.0044 0.0035 4590 SER 619 HB3 -0.0014 -0.0039 0.0022 4591 SER 619 OG -0.0017 -0.0048 0.0022 4592 SER 619 HG -0.0016 -0.0053 0.0016 4593 MET 620 N -0.0004 -0.0026 0.0012 4594 MET 620 HN -0.0006 -0.0034 0.0010 4595 MET 620 CA 0.0003 -0.0019 0.0003 4596 MET 620 HA 0.0003 -0.0015 0.0004 4597 MET 620 C 0.0006 -0.0027 -0.0009 4598 MET 620 O 0.0005 -0.0032 -0.0012 4599 MET 620 CB 0.0006 -0.0009 0.0002 4600 MET 620 HB2 0.0006 -0.0013 -0.0000 4601 MET 620 HB3 0.0004 -0.0004 0.0011 4602 MET 620 CG 0.0013 0.0000 -0.0005 4603 MET 620 HG2 0.0013 0.0006 -0.0001 4604 MET 620 HG3 0.0015 -0.0005 -0.0013 4605 MET 620 SD 0.0018 0.0009 -0.0010 4606 MET 620 CE 0.0025 0.0015 -0.0020 4607 MET 620 HE1 0.0029 0.0022 -0.0024 4608 MET 620 HE2 0.0025 0.0019 -0.0017 4609 MET 620 HE3 0.0027 0.0008 -0.0027 4610 GLY 621 N 0.0007 -0.0026 -0.0014 4611 GLY 621 HN 0.0007 -0.0023 -0.0010 4612 GLY 621 CA 0.0011 -0.0029 -0.0026 4613 GLY 621 HA2 0.0010 -0.0036 -0.0028 4614 GLY 621 HA3 0.0011 -0.0033 -0.0029 4615 GLY 621 C 0.0018 -0.0019 -0.0033 4616 GLY 621 O 0.0021 -0.0010 -0.0032 4617 PHE 622 N 0.0021 -0.0019 -0.0040 4618 PHE 622 HN 0.0019 -0.0026 -0.0042 4619 PHE 622 CA 0.0027 -0.0009 -0.0046 4620 PHE 622 HA 0.0030 -0.0004 -0.0048 4621 PHE 622 C 0.0031 -0.0013 -0.0058 4622 PHE 622 O 0.0028 -0.0023 -0.0060 4623 PHE 622 CB 0.0027 -0.0001 -0.0038 4624 PHE 622 HB2 0.0024 0.0001 -0.0030 4625 PHE 622 HB3 0.0024 -0.0006 -0.0037 4626 PHE 622 CG 0.0033 0.0011 -0.0042 4627 PHE 622 CD1 0.0036 0.0019 -0.0044 4628 PHE 622 HD1 0.0035 0.0017 -0.0043 4629 PHE 622 CD2 0.0035 0.0014 -0.0044 4630 PHE 622 HD2 0.0032 0.0008 -0.0043 4631 PHE 622 CE1 0.0042 0.0030 -0.0048 4632 PHE 622 HE1 0.0045 0.0036 -0.0050 4633 PHE 622 CE2 0.0040 0.0025 -0.0048 4634 PHE 622 HE2 0.0041 0.0027 -0.0049 4635 PHE 622 CZ 0.0044 0.0033 -0.0050 4636 PHE 622 HZ 0.0048 0.0041 -0.0052 4637 LEU 623 N 0.0036 -0.0004 -0.0066 4638 LEU 623 HN 0.0039 0.0003 -0.0064 4639 LEU 623 CA 0.0040 -0.0006 -0.0076 4640 LEU 623 HA 0.0037 -0.0013 -0.0075 4641 LEU 623 C 0.0045 0.0005 -0.0076 4642 LEU 623 O 0.0048 0.0014 -0.0075 4643 LEU 623 CB 0.0044 -0.0009 -0.0087 4644 LEU 623 HB2 0.0040 -0.0016 -0.0085 4645 LEU 623 HB3 0.0047 -0.0002 -0.0087 4646 LEU 623 CG 0.0047 -0.0013 -0.0098 4647 LEU 623 HG 0.0048 -0.0016 -0.0104 4648 LEU 623 CD1 0.0053 -0.0003 -0.0104 4649 LEU 623 HD11 0.0053 0.0000 -0.0099 4650 LEU 623 HD12 0.0056 0.0004 -0.0104 4651 LEU 623 HD13 0.0056 -0.0007 -0.0113 4652 LEU 623 CD2 0.0043 -0.0023 -0.0098 4653 LEU 623 HD21 0.0042 -0.0020 -0.0093 4654 LEU 623 HD22 0.0045 -0.0026 -0.0106 4655 LEU 623 HD23 0.0039 -0.0030 -0.0094 4656 GLU 624 N 0.0045 0.0004 -0.0078 4657 GLU 624 HN 0.0043 -0.0004 -0.0079 4658 GLU 624 CA 0.0049 0.0013 -0.0080 4659 GLU 624 HA 0.0053 0.0020 -0.0081 4660 GLU 624 C 0.0052 0.0009 -0.0090 4661 GLU 624 O 0.0050 -0.0001 -0.0094 4662 GLU 624 CB 0.0046 0.0016 -0.0069 4663 GLU 624 HB2 0.0042 0.0013 -0.0062 4664 GLU 624 HB3 0.0044 0.0012 -0.0069 4665 GLU 624 CG 0.0049 0.0029 -0.0065 4666 GLU 624 HG2 0.0046 0.0031 -0.0056 4667 GLU 624 HG3 0.0051 0.0033 -0.0065 4668 GLU 624 CD 0.0055 0.0035 -0.0072 4669 GLU 624 OE1 0.0054 0.0036 -0.0069 4670 GLU 624 OE2 0.0060 0.0038 -0.0081 4671 GLY 625 N 0.0057 0.0018 -0.0094 4672 GLY 625 HN 0.0059 0.0026 -0.0089 4673 GLY 625 CA 0.0061 0.0018 -0.0103 4674 GLY 625 HA2 0.0063 0.0016 -0.0111 4675 GLY 625 HA3 0.0064 0.0026 -0.0103 4676 GLY 625 C 0.0057 0.0009 -0.0104 4677 GLY 625 O 0.0058 0.0002 -0.0113 4678 ASN 626 N 0.0053 0.0008 -0.0094 4679 ASN 626 HN 0.0053 0.0014 -0.0088 4680 ASN 626 CA 0.0049 -0.0001 -0.0093 4681 ASN 626 HA 0.0051 -0.0003 -0.0101 4682 ASN 626 C 0.0043 -0.0011 -0.0091 4683 ASN 626 O 0.0039 -0.0012 -0.0082 4684 ASN 626 CB 0.0046 0.0002 -0.0084 4685 ASN 626 HB2 0.0044 0.0005 -0.0076 4686 ASN 626 HB3 0.0050 0.0009 -0.0086 4687 ASN 626 CG 0.0042 -0.0008 -0.0083 4688 ASN 626 OD1 0.0041 -0.0017 -0.0090 4689 ASN 626 ND2 0.0038 -0.0007 -0.0074 4690 ASN 626 HD21 0.0036 -0.0013 -0.0074 4691 ASN 626 HD22 0.0039 0.0000 -0.0068 4692 ARG 627 N 0.0045 -0.0018 -0.0098 4693 ARG 627 HN 0.0048 -0.0017 -0.0106 4694 ARG 627 CA 0.0041 -0.0028 -0.0100 4695 ARG 627 HA 0.0042 -0.0026 -0.0100 4696 ARG 627 C 0.0033 -0.0036 -0.0091 4697 ARG 627 O 0.0030 -0.0042 -0.0088 4698 ARG 627 CB 0.0044 -0.0035 -0.0112 4699 ARG 627 HB2 0.0043 -0.0037 -0.0113 4700 ARG 627 HB3 0.0040 -0.0044 -0.0114 4701 ARG 627 CG 0.0051 -0.0028 -0.0122 4702 ARG 627 HG2 0.0054 -0.0019 -0.0119 4703 ARG 627 HG3 0.0051 -0.0030 -0.0123 4704 ARG 627 CD 0.0055 -0.0032 -0.0134 4705 ARG 627 HD2 0.0059 -0.0027 -0.0140 4706 ARG 627 HD3 0.0052 -0.0041 -0.0137 4707 ARG 627 NE 0.0056 -0.0028 -0.0133 4708 ARG 627 HE 0.0053 -0.0034 -0.0134 4709 ARG 627 CZ 0.0060 -0.0017 -0.0133 4710 ARG 627 NH1 0.0064 -0.0008 -0.0133 4711 ARG 627 HH11 0.0063 -0.0008 -0.0130 4712 ARG 627 HH12 0.0067 -0.0000 -0.0132 4713 ARG 627 NH2 0.0061 -0.0016 -0.0134 4714 ARG 627 HH21 0.0059 -0.0023 -0.0135 4715 ARG 627 HH22 0.0065 -0.0008 -0.0135 4716 PHE 628 N 0.0031 -0.0036 -0.0086 4717 PHE 628 HN 0.0034 -0.0032 -0.0089 4718 PHE 628 CA 0.0024 -0.0042 -0.0076 4719 PHE 628 HA 0.0021 -0.0051 -0.0077 4720 PHE 628 C 0.0022 -0.0036 -0.0064 4721 PHE 628 O 0.0016 -0.0041 -0.0056 4722 PHE 628 CB 0.0023 -0.0044 -0.0075 4723 PHE 628 HB2 0.0026 -0.0035 -0.0073 4724 PHE 628 HB3 0.0018 -0.0049 -0.0068 4725 PHE 628 CG 0.0025 -0.0050 -0.0086 4726 PHE 628 CD1 0.0022 -0.0062 -0.0089 4727 PHE 628 HD1 0.0017 -0.0067 -0.0084 4728 PHE 628 CD2 0.0031 -0.0044 -0.0093 4729 PHE 628 HD2 0.0034 -0.0035 -0.0090 4730 PHE 628 CE1 0.0024 -0.0068 -0.0099 4731 PHE 628 HE1 0.0021 -0.0077 -0.0102 4732 PHE 628 CE2 0.0033 -0.0050 -0.0103 4733 PHE 628 HE2 0.0037 -0.0045 -0.0108 4734 PHE 628 CZ 0.0029 -0.0062 -0.0106 4735 PHE 628 HZ 0.0031 -0.0067 -0.0114 4736 LYS 629 N 0.0026 -0.0027 -0.0064 4737 LYS 629 HN 0.0031 -0.0023 -0.0071 4738 LYS 629 CA 0.0024 -0.0020 -0.0054 4739 LYS 629 HA 0.0021 -0.0023 -0.0047 4740 LYS 629 C 0.0023 -0.0022 -0.0052 4741 LYS 629 O 0.0026 -0.0022 -0.0059 4742 LYS 629 CB 0.0029 -0.0007 -0.0053 4743 LYS 629 HB2 0.0033 -0.0004 -0.0060 4744 LYS 629 HB3 0.0027 -0.0003 -0.0045 4745 LYS 629 CG 0.0031 -0.0003 -0.0054 4746 LYS 629 HG2 0.0027 -0.0007 -0.0048 4747 LYS 629 HG3 0.0034 -0.0006 -0.0063 4748 LYS 629 CD 0.0035 0.0010 -0.0051 4749 LYS 629 HD2 0.0036 0.0012 -0.0053 4750 LYS 629 HD3 0.0032 0.0012 -0.0042 4751 LYS 629 CE 0.0040 0.0017 -0.0057 4752 LYS 629 HE2 0.0038 0.0016 -0.0055 4753 LYS 629 HE3 0.0043 0.0015 -0.0066 4754 LYS 629 NZ 0.0043 0.0030 -0.0054 4755 LYS 629 HZ1 0.0041 0.0033 -0.0046 4756 LYS 629 HZ2 0.0047 0.0034 -0.0060 4757 LYS 629 HZ3 0.0045 0.0032 -0.0056 4758 LEU 630 N 0.0018 -0.0024 -0.0041 4759 LEU 630 HN 0.0015 -0.0025 -0.0036 4760 LEU 630 CA 0.0016 -0.0023 -0.0036 4761 LEU 630 HA 0.0020 -0.0020 -0.0042 4762 LEU 630 C 0.0015 -0.0013 -0.0026 4763 LEU 630 O 0.0016 -0.0008 -0.0023 4764 LEU 630 CB 0.0011 -0.0035 -0.0034 4765 LEU 630 HB2 0.0012 -0.0041 -0.0041 4766 LEU 630 HB3 0.0007 -0.0037 -0.0027 4767 LEU 630 CG 0.0009 -0.0037 -0.0031 4768 LEU 630 HG 0.0007 -0.0032 -0.0022 4769 LEU 630 CD1 0.0013 -0.0033 -0.0039 4770 LEU 630 HD11 0.0015 -0.0037 -0.0047 4771 LEU 630 HD12 0.0017 -0.0024 -0.0039 4772 LEU 630 HD13 0.0012 -0.0035 -0.0036 4773 LEU 630 CD2 0.0003 -0.0050 -0.0030 4774 LEU 630 HD21 0.0005 -0.0055 -0.0038 4775 LEU 630 HD22 0.0002 -0.0051 -0.0028 4776 LEU 630 HD23 -0.0000 -0.0053 -0.0023 4777 LEU 631 N 0.0015 -0.0012 -0.0022 4778 LEU 631 HN 0.0015 -0.0017 -0.0025 4779 LEU 631 CA 0.0015 -0.0003 -0.0013 4780 LEU 631 HA 0.0013 -0.0002 -0.0009 4781 LEU 631 C 0.0010 -0.0007 -0.0005 4782 LEU 631 O 0.0009 -0.0013 -0.0008 4783 LEU 631 CB 0.0021 0.0008 -0.0017 4784 LEU 631 HB2 0.0025 0.0009 -0.0025 4785 LEU 631 HB3 0.0021 0.0006 -0.0020 4786 LEU 631 CG 0.0022 0.0020 -0.0010 4787 LEU 631 HG 0.0022 0.0021 -0.0008 4788 LEU 631 CD1 0.0029 0.0029 -0.0016 4789 LEU 631 HD11 0.0029 0.0028 -0.0018 4790 LEU 631 HD12 0.0032 0.0029 -0.0024 4791 LEU 631 HD13 0.0030 0.0038 -0.0012 4792 LEU 631 CD2 0.0017 0.0021 0.0002 4793 LEU 631 HD21 0.0016 0.0016 0.0002 4794 LEU 631 HD22 0.0019 0.0030 0.0006 4795 LEU 631 HD23 0.0013 0.0017 0.0008 4796 PHE 632 N 0.0006 -0.0005 0.0007 4797 PHE 632 HN 0.0006 -0.0000 0.0009 4798 PHE 632 CA 0.0001 -0.0006 0.0015 4799 PHE 632 HA 0.0002 -0.0008 0.0012 4800 PHE 632 C 0.0001 0.0004 0.0024 4801 PHE 632 O 0.0002 0.0010 0.0027 4802 PHE 632 CB -0.0005 -0.0017 0.0021 4803 PHE 632 HB2 -0.0007 -0.0017 0.0024 4804 PHE 632 HB3 -0.0009 -0.0018 0.0028 4805 PHE 632 CG -0.0006 -0.0028 0.0013 4806 PHE 632 CD1 -0.0006 -0.0032 0.0010 4807 PHE 632 HD1 -0.0006 -0.0027 0.0013 4808 PHE 632 CD2 -0.0006 -0.0034 0.0008 4809 PHE 632 HD2 -0.0006 -0.0032 0.0009 4810 PHE 632 CE1 -0.0006 -0.0041 0.0002 4811 PHE 632 HE1 -0.0006 -0.0044 -0.0001 4812 PHE 632 CE2 -0.0007 -0.0044 -0.0000 4813 PHE 632 HE2 -0.0007 -0.0049 -0.0004 4814 PHE 632 CZ -0.0007 -0.0048 -0.0003 4815 PHE 632 HZ -0.0007 -0.0055 -0.0009 4816 LYS 633 N 0.0000 0.0006 0.0026 4817 LYS 633 HN -0.0000 0.0001 0.0024 4818 LYS 633 CA 0.0000 0.0016 0.0034 4819 LYS 633 HA -0.0000 0.0019 0.0038 4820 LYS 633 C -0.0006 0.0012 0.0043 4821 LYS 633 O -0.0009 0.0003 0.0042 4822 LYS 633 CB 0.0006 0.0025 0.0029 4823 LYS 633 HB2 0.0005 0.0031 0.0036 4824 LYS 633 HB3 0.0010 0.0030 0.0026 4825 LYS 633 CG 0.0009 0.0021 0.0021 4826 LYS 633 HG2 0.0013 0.0029 0.0019 4827 LYS 633 HG3 0.0011 0.0018 0.0013 4828 LYS 633 CD 0.0005 0.0013 0.0023 4829 LYS 633 HD2 0.0001 0.0005 0.0024 4830 LYS 633 HD3 0.0008 0.0011 0.0016 4831 LYS 633 CE 0.0001 0.0017 0.0033 4832 LYS 633 HE2 0.0004 0.0020 0.0031 4833 LYS 633 HE3 0.0001 0.0023 0.0039 4834 LYS 633 NZ -0.0005 0.0007 0.0038 4835 LYS 633 HZ1 -0.0005 0.0000 0.0033 4836 LYS 633 HZ2 -0.0008 0.0009 0.0044 4837 LYS 633 HZ3 -0.0008 0.0005 0.0042 4838 VAL 634 N -0.0008 0.0019 0.0053 4839 VAL 634 HN -0.0006 0.0026 0.0054 4840 VAL 634 CA -0.0013 0.0018 0.0062 4841 VAL 634 HA -0.0016 0.0009 0.0061 4842 VAL 634 C -0.0010 0.0025 0.0062 4843 VAL 634 O -0.0005 0.0034 0.0058 4844 VAL 634 CB -0.0018 0.0021 0.0073 4845 VAL 634 HB -0.0021 0.0020 0.0079 4846 VAL 634 CG1 -0.0022 0.0012 0.0074 4847 VAL 634 HG11 -0.0019 0.0012 0.0068 4848 VAL 634 HG12 -0.0025 0.0003 0.0073 4849 VAL 634 HG13 -0.0025 0.0013 0.0082 4850 VAL 634 CG2 -0.0014 0.0033 0.0075 4851 VAL 634 HG21 -0.0011 0.0034 0.0069 4852 VAL 634 HG22 -0.0018 0.0034 0.0083 4853 VAL 634 HG23 -0.0011 0.0039 0.0075 4854 ALA 635 N -0.0015 0.0023 0.0068 4855 ALA 635 HN -0.0019 0.0014 0.0070 4856 ALA 635 CA -0.0013 0.0030 0.0070 4857 ALA 635 HA -0.0018 0.0025 0.0077 4858 ALA 635 C -0.0008 0.0028 0.0058 4859 ALA 635 O -0.0007 0.0019 0.0049 4860 ALA 635 CB -0.0011 0.0044 0.0077 4861 ALA 635 HB1 -0.0005 0.0051 0.0071 4862 ALA 635 HB2 -0.0015 0.0045 0.0085 4863 ALA 635 HB3 -0.0011 0.0048 0.0080 4864 LEU 636 N -0.0005 0.0035 0.0059 4865 LEU 636 HN -0.0005 0.0043 0.0065 4866 LEU 636 CA -0.0001 0.0034 0.0049 4867 LEU 636 HA -0.0003 0.0023 0.0046 4868 LEU 636 C 0.0007 0.0041 0.0038 4869 LEU 636 O 0.0011 0.0035 0.0028 4870 LEU 636 CB -0.0002 0.0039 0.0055 4871 LEU 636 HB2 -0.0000 0.0049 0.0060 4872 LEU 636 HB3 0.0002 0.0039 0.0047 4873 LEU 636 CG -0.0010 0.0031 0.0064 4874 LEU 636 HG -0.0011 0.0021 0.0059 4875 LEU 636 CD1 -0.0016 0.0031 0.0077 4876 LEU 636 HD11 -0.0015 0.0041 0.0082 4877 LEU 636 HD12 -0.0017 0.0026 0.0075 4878 LEU 636 HD13 -0.0021 0.0025 0.0083 4879 LEU 636 CD2 -0.0009 0.0036 0.0067 4880 LEU 636 HD21 -0.0007 0.0046 0.0072 4881 LEU 636 HD22 -0.0014 0.0030 0.0073 4882 LEU 636 HD23 -0.0005 0.0036 0.0058 4883 GLU 637 N 0.0012 0.0053 0.0043 4884 GLU 637 HN 0.0009 0.0057 0.0052 4885 GLU 637 CA 0.0020 0.0061 0.0036 4886 GLU 637 HA 0.0023 0.0059 0.0027 4887 GLU 637 C 0.0021 0.0060 0.0032 4888 GLU 637 O 0.0017 0.0061 0.0040 4889 GLU 637 CB 0.0023 0.0075 0.0042 4890 GLU 637 HB2 0.0029 0.0082 0.0037 4891 GLU 637 HB3 0.0023 0.0076 0.0042 4892 GLU 637 CG 0.0018 0.0080 0.0056 4893 GLU 637 HG2 0.0022 0.0090 0.0058 4894 GLU 637 HG3 0.0017 0.0078 0.0057 4895 GLU 637 CD 0.0010 0.0075 0.0066 4896 GLU 637 OE1 0.0010 0.0082 0.0073 4897 GLU 637 OE2 0.0004 0.0063 0.0066 4898 ASP 638 N 0.0026 0.0056 0.0020 4899 ASP 638 HN 0.0028 0.0055 0.0014 4900 ASP 638 CA 0.0027 0.0054 0.0014 4901 ASP 638 HA 0.0022 0.0048 0.0019 4902 ASP 638 C 0.0033 0.0066 0.0016 4903 ASP 638 O 0.0038 0.0068 0.0007 4904 ASP 638 CB 0.0031 0.0047 0.0001 4905 ASP 638 HB2 0.0037 0.0053 -0.0005 4906 ASP 638 HB3 0.0027 0.0038 0.0001 4907 ASP 638 CG 0.0033 0.0042 -0.0006 4908 ASP 638 OD1 0.0040 0.0047 -0.0015 4909 ASP 638 OD2 0.0027 0.0034 -0.0003 4910 VAL 639 N 0.0032 0.0075 0.0026 4911 VAL 639 HN 0.0026 0.0072 0.0034 4912 VAL 639 CA 0.0037 0.0089 0.0029 4913 VAL 639 HA 0.0043 0.0093 0.0022 4914 VAL 639 C 0.0038 0.0089 0.0028 4915 VAL 639 O 0.0032 0.0083 0.0034 4916 VAL 639 CB 0.0034 0.0097 0.0043 4917 VAL 639 HB 0.0039 0.0107 0.0044 4918 VAL 639 CG1 0.0025 0.0092 0.0055 4919 VAL 639 HG11 0.0021 0.0082 0.0054 4920 VAL 639 HG12 0.0024 0.0098 0.0064 4921 VAL 639 HG13 0.0024 0.0091 0.0056 4922 VAL 639 CG2 0.0036 0.0101 0.0042 4923 VAL 639 HG21 0.0032 0.0091 0.0041 4924 VAL 639 HG22 0.0043 0.0105 0.0034 4925 VAL 639 HG23 0.0035 0.0108 0.0051 4926 GLN 640 N 0.0046 0.0096 0.0019 4927 GLN 640 HN 0.0051 0.0101 0.0014 4928 GLN 640 CA 0.0048 0.0097 0.0016 4929 GLN 640 HA 0.0045 0.0087 0.0012 4930 GLN 640 C 0.0045 0.0104 0.0028 4931 GLN 640 O 0.0043 0.0110 0.0038 4932 GLN 640 CB 0.0058 0.0105 0.0004 4933 GLN 640 HB2 0.0062 0.0115 0.0007 4934 GLN 640 HB3 0.0059 0.0106 0.0002 4935 GLN 640 CG 0.0061 0.0097 -0.0009 4936 GLN 640 HG2 0.0060 0.0096 -0.0008 4937 GLN 640 HG3 0.0057 0.0087 -0.0011 4938 GLN 640 CD 0.0070 0.0103 -0.0021 4939 GLN 640 OE1 0.0072 0.0099 -0.0028 4940 GLN 640 NE2 0.0076 0.0114 -0.0022 4941 GLN 640 HE21 0.0082 0.0118 -0.0030 4942 GLN 640 HE22 0.0075 0.0117 -0.0016 4943 ILE 641 N 0.0046 0.0101 0.0023 4944 ILE 641 HN 0.0048 0.0096 0.0014 4945 ILE 641 CA 0.0041 0.0104 0.0034 4946 ILE 641 HA 0.0043 0.0102 0.0028 4947 ILE 641 C 0.0032 0.0092 0.0043 4948 ILE 641 O 0.0028 0.0085 0.0044 4949 ILE 641 CB 0.0044 0.0120 0.0043 4950 ILE 641 HB 0.0044 0.0123 0.0047 4951 ILE 641 CG1 0.0054 0.0131 0.0033 4952 ILE 641 HG12 0.0055 0.0141 0.0040 4953 ILE 641 HG13 0.0055 0.0127 0.0028 4954 ILE 641 CG2 0.0039 0.0121 0.0055 4955 ILE 641 HG21 0.0039 0.0117 0.0051 4956 ILE 641 HG22 0.0032 0.0114 0.0063 4957 ILE 641 HG23 0.0041 0.0132 0.0061 4958 ILE 641 CD1 0.0061 0.0134 0.0022 4959 ILE 641 HD11 0.0060 0.0136 0.0027 4960 ILE 641 HD12 0.0061 0.0125 0.0013 4961 ILE 641 HD13 0.0068 0.0143 0.0018 4962 SER 642 N 0.0027 0.0088 0.0049 4963 SER 642 HN 0.0030 0.0094 0.0047 4964 SER 642 CA 0.0018 0.0076 0.0056 4965 SER 642 HA 0.0014 0.0078 0.0065 4966 SER 642 C 0.0015 0.0061 0.0048 4967 SER 642 O 0.0009 0.0051 0.0051 4968 SER 642 CB 0.0015 0.0077 0.0064 4969 SER 642 HB2 0.0017 0.0089 0.0069 4970 SER 642 HB3 0.0007 0.0071 0.0072 4971 SER 642 OG 0.0017 0.0072 0.0055 4972 SER 642 HG 0.0023 0.0077 0.0047 4973 LYS 643 N 0.0020 0.0056 0.0035 4974 LYS 643 HN 0.0023 0.0063 0.0034 4975 LYS 643 CA 0.0020 0.0046 0.0025 4976 LYS 643 HA 0.0017 0.0040 0.0026 4977 LYS 643 C 0.0017 0.0038 0.0025 4978 LYS 643 O 0.0020 0.0041 0.0019 4979 LYS 643 CB 0.0027 0.0051 0.0012 4980 LYS 643 HB2 0.0030 0.0057 0.0011 4981 LYS 643 HB3 0.0027 0.0043 0.0004 4982 LYS 643 CG 0.0031 0.0059 0.0011 4983 LYS 643 HG2 0.0031 0.0067 0.0018 4984 LYS 643 HG3 0.0036 0.0063 0.0002 4985 LYS 643 CD 0.0028 0.0053 0.0013 4986 LYS 643 HD2 0.0029 0.0061 0.0017 4987 LYS 643 HD3 0.0022 0.0047 0.0020 4988 LYS 643 CE 0.0030 0.0046 0.0001 4989 LYS 643 HE2 0.0025 0.0040 0.0005 4990 LYS 643 HE3 0.0030 0.0040 -0.0005 4991 LYS 643 NZ 0.0036 0.0054 -0.0006 4992 LYS 643 HZ1 0.0036 0.0062 0.0000 4993 LYS 643 HZ2 0.0036 0.0049 -0.0010 4994 LYS 643 HZ3 0.0040 0.0058 -0.0013 4995 ASP 644 N 0.0010 0.0027 0.0030 4996 ASP 644 HN 0.0007 0.0025 0.0035 4997 ASP 644 CA 0.0007 0.0017 0.0029 4998 ASP 644 HA 0.0008 0.0022 0.0032 4999 ASP 644 C 0.0009 0.0010 0.0016 5000 ASP 644 O 0.0009 0.0004 0.0011 5001 ASP 644 CB -0.0001 0.0007 0.0039 5002 ASP 644 HB2 -0.0003 -0.0002 0.0034 5003 ASP 644 HB3 -0.0003 0.0006 0.0041 5004 ASP 644 CG -0.0005 0.0011 0.0051 5005 ASP 644 OD1 -0.0005 0.0010 0.0050 5006 ASP 644 OD2 -0.0007 0.0014 0.0061 5007 THR 645 N 0.0011 0.0013 0.0011 5008 THR 645 HN 0.0011 0.0018 0.0016 5009 THR 645 CA 0.0014 0.0007 -0.0000 5010 THR 645 HA 0.0015 0.0006 -0.0005 5011 THR 645 C 0.0008 -0.0005 0.0001 5012 THR 645 O 0.0007 -0.0009 -0.0001 5013 THR 645 CB 0.0019 0.0014 -0.0008 5014 THR 645 HB 0.0018 0.0014 -0.0003 5015 THR 645 OG1 0.0024 0.0025 -0.0008 5016 THR 645 HG1 0.0022 0.0028 -0.0000 5017 THR 645 CG2 0.0022 0.0008 -0.0020 5018 THR 645 HG21 0.0024 0.0007 -0.0025 5019 THR 645 HG22 0.0019 -0.0001 -0.0021 5020 THR 645 HG23 0.0026 0.0013 -0.0025 5021 LEU 646 N 0.0004 -0.0013 0.0004 5022 LEU 646 HN 0.0005 -0.0009 0.0005 5023 LEU 646 CA -0.0002 -0.0024 0.0006 5024 LEU 646 HA -0.0003 -0.0026 0.0008 5025 LEU 646 C -0.0001 -0.0033 -0.0004 5026 LEU 646 O 0.0003 -0.0030 -0.0010 5027 LEU 646 CB -0.0007 -0.0026 0.0018 5028 LEU 646 HB2 -0.0008 -0.0020 0.0025 5029 LEU 646 HB3 -0.0005 -0.0022 0.0017 5030 LEU 646 CG -0.0014 -0.0038 0.0021 5031 LEU 646 HG -0.0013 -0.0043 0.0015 5032 LEU 646 CD1 -0.0017 -0.0045 0.0023 5033 LEU 646 HD11 -0.0018 -0.0040 0.0029 5034 LEU 646 HD12 -0.0014 -0.0047 0.0015 5035 LEU 646 HD13 -0.0022 -0.0053 0.0026 5036 LEU 646 CD2 -0.0018 -0.0037 0.0033 5037 LEU 646 HD21 -0.0019 -0.0032 0.0040 5038 LEU 646 HD22 -0.0022 -0.0046 0.0035 5039 LEU 646 HD23 -0.0016 -0.0033 0.0031 5040 SER 647 N -0.0004 -0.0040 -0.0002 5041 SER 647 HN -0.0007 -0.0042 0.0004 5042 SER 647 CA -0.0003 -0.0048 -0.0012 5043 SER 647 HA -0.0006 -0.0055 -0.0010 5044 SER 647 C 0.0002 -0.0044 -0.0022 5045 SER 647 O 0.0004 -0.0046 -0.0032 5046 SER 647 CB -0.0004 -0.0052 -0.0014 5047 SER 647 HB2 -0.0002 -0.0056 -0.0023 5048 SER 647 HB3 -0.0002 -0.0046 -0.0012 5049 SER 647 OG -0.0009 -0.0061 -0.0008 5050 SER 647 HG -0.0009 -0.0066 -0.0013 5051 GLN 648 N 0.0004 -0.0037 -0.0021 5052 GLN 648 HN 0.0002 -0.0035 -0.0013 5053 GLN 648 CA 0.0007 -0.0035 -0.0029 5054 GLN 648 HA 0.0010 -0.0035 -0.0037 5055 GLN 648 C 0.0004 -0.0045 -0.0031 5056 GLN 648 O 0.0001 -0.0047 -0.0024 5057 GLN 648 CB 0.0010 -0.0024 -0.0026 5058 GLN 648 HB2 0.0013 -0.0017 -0.0027 5059 GLN 648 HB3 0.0007 -0.0024 -0.0018 5060 GLN 648 CG 0.0014 -0.0022 -0.0034 5061 GLN 648 HG2 0.0016 -0.0024 -0.0043 5062 GLN 648 HG3 0.0011 -0.0027 -0.0033 5063 GLN 648 CD 0.0018 -0.0010 -0.0033 5064 GLN 648 OE1 0.0022 -0.0004 -0.0041 5065 GLN 648 NE2 0.0015 -0.0005 -0.0023 5066 GLN 648 HE21 0.0018 0.0002 -0.0022 5067 GLN 648 HE22 0.0011 -0.0010 -0.0017 5068 LEU 649 N 0.0005 -0.0049 -0.0036 5069 LEU 649 HN 0.0009 -0.0047 -0.0042 5070 LEU 649 CA 0.0001 -0.0060 -0.0038 5071 LEU 649 HA -0.0003 -0.0062 -0.0030 5072 LEU 649 C 0.0003 -0.0063 -0.0046 5073 LEU 649 O 0.0008 -0.0056 -0.0051 5074 LEU 649 CB -0.0001 -0.0068 -0.0042 5075 LEU 649 HB2 0.0002 -0.0063 -0.0044 5076 LEU 649 HB3 0.0000 -0.0073 -0.0050 5077 LEU 649 CG -0.0007 -0.0075 -0.0034 5078 LEU 649 HG -0.0008 -0.0080 -0.0038 5079 LEU 649 CD1 -0.0012 -0.0082 -0.0031 5080 LEU 649 HD11 -0.0012 -0.0078 -0.0026 5081 LEU 649 HD12 -0.0011 -0.0087 -0.0038 5082 LEU 649 HD13 -0.0016 -0.0088 -0.0026 5083 LEU 649 CD2 -0.0008 -0.0068 -0.0024 5084 LEU 649 HD21 -0.0007 -0.0062 -0.0020 5085 LEU 649 HD22 -0.0013 -0.0074 -0.0019 5086 LEU 649 HD23 -0.0005 -0.0064 -0.0027 5087 GLU 650 N -0.0001 -0.0072 -0.0046 5088 GLU 650 HN -0.0005 -0.0077 -0.0040 5089 GLU 650 CA -0.0001 -0.0078 -0.0053 5090 GLU 650 HA 0.0001 -0.0073 -0.0053 5091 GLU 650 C 0.0003 -0.0080 -0.0064 5092 GLU 650 O 0.0007 -0.0077 -0.0072 5093 GLU 650 CB -0.0007 -0.0088 -0.0048 5094 GLU 650 HB2 -0.0009 -0.0085 -0.0040 5095 GLU 650 HB3 -0.0010 -0.0092 -0.0046 5096 GLU 650 CG -0.0008 -0.0096 -0.0055 5097 GLU 650 HG2 -0.0006 -0.0092 -0.0057 5098 GLU 650 HG3 -0.0007 -0.0100 -0.0062 5099 GLU 650 CD -0.0015 -0.0105 -0.0048 5100 GLU 650 OE1 -0.0018 -0.0110 -0.0045 5101 GLU 650 OE2 -0.0016 -0.0107 -0.0046 5102 GLU 651 N 0.0004 -0.0087 -0.0070 5103 GLU 651 HN -0.0000 -0.0090 -0.0063 5104 GLU 651 CA 0.0007 -0.0091 -0.0081 5105 GLU 651 HA 0.0012 -0.0086 -0.0087 5106 GLU 651 C 0.0008 -0.0088 -0.0080 5107 GLU 651 O 0.0004 -0.0087 -0.0071 5108 GLU 651 CB 0.0004 -0.0104 -0.0085 5109 GLU 651 HB2 0.0003 -0.0105 -0.0086 5110 GLU 651 HB3 -0.0001 -0.0109 -0.0079 5111 GLU 651 CG 0.0007 -0.0109 -0.0097 5112 GLU 651 HG2 0.0006 -0.0110 -0.0097 5113 GLU 651 HG3 0.0004 -0.0118 -0.0100 5114 GLU 651 CD 0.0014 -0.0102 -0.0107 5115 GLU 651 OE1 0.0017 -0.0094 -0.0109 5116 GLU 651 OE2 0.0015 -0.0104 -0.0112 5117 VAL 652 N 0.0012 -0.0087 -0.0090 5118 VAL 652 HN 0.0015 -0.0089 -0.0098 5119 VAL 652 CA 0.0014 -0.0085 -0.0092 5120 VAL 652 HA 0.0015 -0.0077 -0.0087 5121 VAL 652 C 0.0009 -0.0094 -0.0088 5122 VAL 652 O 0.0007 -0.0091 -0.0081 5123 VAL 652 CB 0.0020 -0.0083 -0.0105 5124 VAL 652 HB 0.0020 -0.0091 -0.0111 5125 VAL 652 CG1 0.0026 -0.0073 -0.0109 5126 VAL 652 HG11 0.0027 -0.0065 -0.0103 5127 VAL 652 HG12 0.0030 -0.0072 -0.0118 5128 VAL 652 HG13 0.0025 -0.0075 -0.0108 5129 VAL 652 CG2 0.0022 -0.0081 -0.0107 5130 VAL 652 HG21 0.0023 -0.0073 -0.0101 5131 VAL 652 HG22 0.0018 -0.0088 -0.0105 5132 VAL 652 HG23 0.0026 -0.0080 -0.0116 5133 GLU 653 N 0.0009 -0.0103 -0.0091 5134 GLU 653 HN 0.0012 -0.0105 -0.0096 5135 GLU 653 CA 0.0003 -0.0114 -0.0087 5136 GLU 653 HA 0.0004 -0.0115 -0.0091 5137 GLU 653 C -0.0004 -0.0113 -0.0074 5138 GLU 653 O -0.0007 -0.0115 -0.0070 5139 GLU 653 CB 0.0000 -0.0125 -0.0093 5140 GLU 653 HB2 -0.0002 -0.0124 -0.0089 5141 GLU 653 HB3 -0.0005 -0.0133 -0.0090 5142 GLU 653 CG 0.0006 -0.0127 -0.0106 5143 GLU 653 HG2 0.0011 -0.0120 -0.0108 5144 GLU 653 HG3 0.0008 -0.0128 -0.0110 5145 GLU 653 CD 0.0003 -0.0138 -0.0111 5146 GLU 653 OE1 0.0001 -0.0139 -0.0107 5147 GLU 653 OE2 0.0004 -0.0146 -0.0119 5148 ARG 654 N -0.0006 -0.0109 -0.0067 5149 ARG 654 HN -0.0003 -0.0108 -0.0071 5150 ARG 654 CA -0.0011 -0.0106 -0.0055 5151 ARG 654 HA -0.0016 -0.0114 -0.0052 5152 ARG 654 C -0.0009 -0.0097 -0.0049 5153 ARG 654 O -0.0014 -0.0098 -0.0041 5154 ARG 654 CB -0.0012 -0.0103 -0.0050 5155 ARG 654 HB2 -0.0007 -0.0095 -0.0053 5156 ARG 654 HB3 -0.0016 -0.0101 -0.0040 5157 ARG 654 CG -0.0015 -0.0113 -0.0053 5158 ARG 654 HG2 -0.0010 -0.0113 -0.0062 5159 ARG 654 HG3 -0.0019 -0.0122 -0.0053 5160 ARG 654 CD -0.0018 -0.0111 -0.0046 5161 ARG 654 HD2 -0.0014 -0.0102 -0.0045 5162 ARG 654 HD3 -0.0018 -0.0117 -0.0050 5163 ARG 654 NE -0.0025 -0.0114 -0.0034 5164 ARG 654 HE -0.0028 -0.0119 -0.0034 5165 ARG 654 CZ -0.0029 -0.0112 -0.0025 5166 ARG 654 NH1 -0.0027 -0.0107 -0.0025 5167 ARG 654 HH11 -0.0022 -0.0106 -0.0032 5168 ARG 654 HH12 -0.0030 -0.0106 -0.0017 5169 ARG 654 NH2 -0.0036 -0.0117 -0.0016 5170 ARG 654 HH21 -0.0039 -0.0123 -0.0017 5171 ARG 654 HH22 -0.0039 -0.0116 -0.0009 5172 LYS 655 N -0.0001 -0.0089 -0.0055 5173 LYS 655 HN 0.0002 -0.0089 -0.0061 5174 LYS 655 CA 0.0001 -0.0080 -0.0052 5175 LYS 655 HA -0.0001 -0.0077 -0.0044 5176 LYS 655 C 0.0001 -0.0083 -0.0053 5177 LYS 655 O -0.0002 -0.0080 -0.0045 5178 LYS 655 CB 0.0007 -0.0070 -0.0059 5179 LYS 655 HB2 0.0008 -0.0068 -0.0058 5180 LYS 655 HB3 0.0009 -0.0073 -0.0068 5181 LYS 655 CG 0.0010 -0.0060 -0.0056 5182 LYS 655 HG2 0.0009 -0.0063 -0.0057 5183 LYS 655 HG3 0.0008 -0.0057 -0.0048 5184 LYS 655 CD 0.0016 -0.0051 -0.0063 5185 LYS 655 HD2 0.0018 -0.0055 -0.0071 5186 LYS 655 HD3 0.0016 -0.0046 -0.0059 5187 LYS 655 CE 0.0019 -0.0045 -0.0065 5188 LYS 655 HE2 0.0017 -0.0041 -0.0058 5189 LYS 655 HE3 0.0019 -0.0050 -0.0070 5190 LYS 655 NZ 0.0025 -0.0036 -0.0071 5191 LYS 655 HZ1 0.0025 -0.0029 -0.0066 5192 LYS 655 HZ2 0.0027 -0.0033 -0.0075 5193 LYS 655 HZ3 0.0026 -0.0038 -0.0077 5194 LEU 656 N 0.0002 -0.0088 -0.0063 5195 LEU 656 HN 0.0004 -0.0089 -0.0069 5196 LEU 656 CA 0.0002 -0.0091 -0.0065 5197 LEU 656 HA 0.0005 -0.0084 -0.0065 5198 LEU 656 C -0.0004 -0.0097 -0.0056 5199 LEU 656 O -0.0004 -0.0093 -0.0051 5200 LEU 656 CB 0.0004 -0.0097 -0.0076 5201 LEU 656 HB2 0.0002 -0.0104 -0.0077 5202 LEU 656 HB3 0.0003 -0.0101 -0.0077 5203 LEU 656 CG 0.0010 -0.0091 -0.0086 5204 LEU 656 HG 0.0011 -0.0086 -0.0085 5205 LEU 656 CD1 0.0011 -0.0099 -0.0097 5206 LEU 656 HD11 0.0010 -0.0104 -0.0098 5207 LEU 656 HD12 0.0009 -0.0104 -0.0096 5208 LEU 656 HD13 0.0015 -0.0094 -0.0104 5209 LEU 656 CD2 0.0013 -0.0083 -0.0087 5210 LEU 656 HD21 0.0012 -0.0087 -0.0088 5211 LEU 656 HD22 0.0017 -0.0078 -0.0094 5212 LEU 656 HD23 0.0013 -0.0077 -0.0080 5213 GLU 657 N -0.0006 -0.0104 -0.0049 5214 GLU 657 HN -0.0005 -0.0107 -0.0054 5215 GLU 657 CA -0.0011 -0.0110 -0.0040 5216 GLU 657 HA -0.0011 -0.0111 -0.0041 5217 GLU 657 C -0.0013 -0.0103 -0.0028 5218 GLU 657 O -0.0016 -0.0105 -0.0021 5219 GLU 657 CB -0.0015 -0.0121 -0.0040 5220 GLU 657 HB2 -0.0013 -0.0121 -0.0044 5221 GLU 657 HB3 -0.0018 -0.0123 -0.0031 5222 GLU 657 CG -0.0016 -0.0131 -0.0045 5223 GLU 657 HG2 -0.0019 -0.0139 -0.0044 5224 GLU 657 HG3 -0.0013 -0.0131 -0.0054 5225 GLU 657 CD -0.0018 -0.0132 -0.0040 5226 GLU 657 OE1 -0.0022 -0.0135 -0.0031 5227 GLU 657 OE2 -0.0015 -0.0130 -0.0046 5228 SER 658 N -0.0011 -0.0095 -0.0027 5229 SER 658 HN -0.0009 -0.0094 -0.0033 5230 SER 658 CA -0.0012 -0.0087 -0.0017 5231 SER 658 HA -0.0016 -0.0092 -0.0010 5232 SER 658 C -0.0011 -0.0080 -0.0015 5233 SER 658 O -0.0014 -0.0079 -0.0006 5234 SER 658 CB -0.0011 -0.0080 -0.0015 5235 SER 658 HB2 -0.0011 -0.0085 -0.0018 5236 SER 658 HB3 -0.0013 -0.0077 -0.0007 5237 SER 658 OG -0.0006 -0.0070 -0.0021 5238 SER 658 HG -0.0004 -0.0072 -0.0029 5239 SER 659 N -0.0005 -0.0079 -0.0026 5240 SER 659 HN -0.0003 -0.0080 -0.0033 5241 SER 659 CA -0.0003 -0.0073 -0.0026 5242 SER 659 HA -0.0003 -0.0066 -0.0020 5243 SER 659 C -0.0006 -0.0080 -0.0023 5244 SER 659 O -0.0007 -0.0076 -0.0016 5245 SER 659 CB 0.0002 -0.0067 -0.0037 5246 SER 659 HB2 0.0003 -0.0063 -0.0039 5247 SER 659 HB3 0.0003 -0.0061 -0.0036 5248 SER 659 OG 0.0003 -0.0074 -0.0046 5249 SER 659 HG 0.0001 -0.0081 -0.0046 5250 ARG 660 N -0.0007 -0.0090 -0.0029 5251 ARG 660 HN -0.0006 -0.0093 -0.0034 5252 ARG 660 CA -0.0010 -0.0098 -0.0026 5253 ARG 660 HA -0.0008 -0.0094 -0.0027 5254 ARG 660 C -0.0014 -0.0101 -0.0015 5255 ARG 660 O -0.0015 -0.0100 -0.0009 5256 ARG 660 CB -0.0010 -0.0108 -0.0035 5257 ARG 660 HB2 -0.0011 -0.0114 -0.0033 5258 ARG 660 HB3 -0.0011 -0.0113 -0.0033 5259 ARG 660 CG -0.0005 -0.0106 -0.0047 5260 ARG 660 HG2 -0.0004 -0.0105 -0.0050 5261 ARG 660 HG3 -0.0003 -0.0099 -0.0048 5262 ARG 660 CD -0.0005 -0.0116 -0.0054 5263 ARG 660 HD2 -0.0005 -0.0115 -0.0054 5264 ARG 660 HD3 -0.0008 -0.0124 -0.0052 5265 ARG 660 NE -0.0002 -0.0115 -0.0066 5266 ARG 660 HE 0.0001 -0.0111 -0.0071 5267 ARG 660 CZ -0.0001 -0.0119 -0.0070 5268 ARG 660 NH1 -0.0004 -0.0124 -0.0065 5269 ARG 660 HH11 -0.0008 -0.0127 -0.0057 5270 ARG 660 HH12 -0.0004 -0.0126 -0.0068 5271 ARG 660 NH2 0.0002 -0.0117 -0.0080 5272 ARG 660 HH21 0.0005 -0.0113 -0.0085 5273 ARG 660 HH22 0.0003 -0.0120 -0.0084 5274 GLU 661 N -0.0017 -0.0100 -0.0006 5275 GLU 661 HN -0.0015 -0.0100 -0.0009 5276 GLU 661 CA -0.0022 -0.0101 0.0002 5277 GLU 661 HA -0.0025 -0.0106 0.0003 5278 GLU 661 C -0.0023 -0.0094 0.0008 5279 GLU 661 O -0.0026 -0.0096 0.0012 5280 GLU 661 CB -0.0024 -0.0102 0.0005 5281 GLU 661 HB2 -0.0021 -0.0098 0.0002 5282 GLU 661 HB3 -0.0027 -0.0099 0.0012 5283 GLU 661 CG -0.0028 -0.0111 0.0005 5284 GLU 661 HG2 -0.0030 -0.0111 0.0008 5285 GLU 661 HG3 -0.0025 -0.0114 -0.0001 5286 GLU 661 CD -0.0032 -0.0116 0.0009 5287 GLU 661 OE1 -0.0036 -0.0114 0.0016 5288 GLU 661 OE2 -0.0032 -0.0122 0.0005 5289 ASP 662 N -0.0020 -0.0085 0.0007 5290 ASP 662 HN -0.0017 -0.0084 0.0004 5291 ASP 662 CA -0.0020 -0.0078 0.0012 5292 ASP 662 HA -0.0023 -0.0078 0.0018 5293 ASP 662 C -0.0019 -0.0078 0.0011 5294 ASP 662 O -0.0023 -0.0078 0.0017 5295 ASP 662 CB -0.0015 -0.0069 0.0010 5296 ASP 662 HB2 -0.0011 -0.0068 0.0004 5297 ASP 662 HB3 -0.0015 -0.0069 0.0010 5298 ASP 662 CG -0.0016 -0.0062 0.0016 5299 ASP 662 OD1 -0.0014 -0.0058 0.0015 5300 ASP 662 OD2 -0.0019 -0.0060 0.0022 5301 ASP 663 N -0.0014 -0.0079 0.0001 5302 ASP 663 HN -0.0011 -0.0079 -0.0004 5303 ASP 663 CA -0.0014 -0.0081 -0.0001 5304 ASP 663 HA -0.0013 -0.0075 0.0002 5305 ASP 663 C -0.0018 -0.0089 0.0003 5306 ASP 663 O -0.0020 -0.0088 0.0006 5307 ASP 663 CB -0.0008 -0.0082 -0.0011 5308 ASP 663 HB2 -0.0009 -0.0089 -0.0014 5309 ASP 663 HB3 -0.0005 -0.0077 -0.0014 5310 ASP 663 CG -0.0007 -0.0082 -0.0014 5311 ASP 663 OD1 -0.0005 -0.0074 -0.0012 5312 ASP 663 OD2 -0.0007 -0.0090 -0.0018 5313 ARG 664 N -0.0021 -0.0098 0.0002 5314 ARG 664 HN -0.0019 -0.0099 -0.0001 5315 ARG 664 CA -0.0026 -0.0106 0.0006 5316 ARG 664 HA -0.0025 -0.0109 0.0004 5317 ARG 664 C -0.0031 -0.0104 0.0016 5318 ARG 664 O -0.0034 -0.0106 0.0020 5319 ARG 664 CB -0.0027 -0.0115 0.0004 5320 ARG 664 HB2 -0.0027 -0.0113 0.0005 5321 ARG 664 HB3 -0.0031 -0.0121 0.0008 5322 ARG 664 CG -0.0023 -0.0120 -0.0006 5323 ARG 664 HG2 -0.0019 -0.0115 -0.0011 5324 ARG 664 HG3 -0.0023 -0.0122 -0.0007 5325 ARG 664 CD -0.0024 -0.0129 -0.0009 5326 ARG 664 HD2 -0.0021 -0.0132 -0.0016 5327 ARG 664 HD3 -0.0028 -0.0135 -0.0005 5328 ARG 664 NE -0.0024 -0.0128 -0.0009 5329 ARG 664 HE -0.0027 -0.0128 -0.0003 5330 ARG 664 CZ -0.0021 -0.0130 -0.0016 5331 ARG 664 NH1 -0.0016 -0.0130 -0.0024 5332 ARG 664 HH11 -0.0015 -0.0129 -0.0026 5333 ARG 664 HH12 -0.0014 -0.0131 -0.0028 5334 ARG 664 NH2 -0.0022 -0.0131 -0.0014 5335 ARG 664 HH21 -0.0026 -0.0130 -0.0007 5336 ARG 664 HH22 -0.0019 -0.0131 -0.0018 5337 VAL 665 N -0.0031 -0.0098 0.0021 5338 VAL 665 HN -0.0029 -0.0097 0.0018 5339 VAL 665 CA -0.0036 -0.0094 0.0030 5340 VAL 665 HA -0.0040 -0.0099 0.0033 5341 VAL 665 C -0.0035 -0.0088 0.0032 5342 VAL 665 O -0.0039 -0.0089 0.0037 5343 VAL 665 CB -0.0036 -0.0089 0.0032 5344 VAL 665 HB -0.0031 -0.0084 0.0028 5345 VAL 665 CG1 -0.0040 -0.0084 0.0041 5346 VAL 665 HG11 -0.0044 -0.0088 0.0045 5347 VAL 665 HG12 -0.0038 -0.0078 0.0041 5348 VAL 665 HG13 -0.0040 -0.0081 0.0042 5349 VAL 665 CG2 -0.0037 -0.0096 0.0031 5350 VAL 665 HG21 -0.0042 -0.0101 0.0035 5351 VAL 665 HG22 -0.0037 -0.0093 0.0033 5352 VAL 665 HG23 -0.0034 -0.0100 0.0025 5353 LEU 666 N -0.0030 -0.0081 0.0028 5354 LEU 666 HN -0.0027 -0.0080 0.0024 5355 LEU 666 CA -0.0028 -0.0074 0.0029 5356 LEU 666 HA -0.0031 -0.0070 0.0035 5357 LEU 666 C -0.0030 -0.0079 0.0029 5358 LEU 666 O -0.0033 -0.0077 0.0034 5359 LEU 666 CB -0.0022 -0.0068 0.0023 5360 LEU 666 HB2 -0.0021 -0.0065 0.0023 5361 LEU 666 HB3 -0.0019 -0.0072 0.0016 5362 LEU 666 CG -0.0020 -0.0059 0.0024 5363 LEU 666 HG -0.0015 -0.0055 0.0019 5364 LEU 666 CD1 -0.0018 -0.0061 0.0021 5365 LEU 666 HD11 -0.0022 -0.0064 0.0025 5366 LEU 666 HD12 -0.0016 -0.0065 0.0015 5367 LEU 666 HD13 -0.0016 -0.0054 0.0021 5368 LEU 666 CD2 -0.0023 -0.0053 0.0032 5369 LEU 666 HD21 -0.0028 -0.0056 0.0036 5370 LEU 666 HD22 -0.0021 -0.0046 0.0032 5371 LEU 666 HD23 -0.0024 -0.0051 0.0033 5372 LYS 667 N -0.0030 -0.0087 0.0022 5373 LYS 667 HN -0.0027 -0.0089 0.0017 5374 LYS 667 CA -0.0031 -0.0094 0.0022 5375 LYS 667 HA -0.0031 -0.0089 0.0024 5376 LYS 667 C -0.0038 -0.0100 0.0030 5377 LYS 667 O -0.0041 -0.0101 0.0034 5378 LYS 667 CB -0.0027 -0.0101 0.0014 5379 LYS 667 HB2 -0.0025 -0.0102 0.0010 5380 LYS 667 HB3 -0.0030 -0.0108 0.0015 5381 LYS 667 CG -0.0023 -0.0097 0.0009 5382 LYS 667 HG2 -0.0021 -0.0103 0.0004 5383 LYS 667 HG3 -0.0026 -0.0096 0.0013 5384 LYS 667 CD -0.0018 -0.0087 0.0005 5385 LYS 667 HD2 -0.0020 -0.0082 0.0009 5386 LYS 667 HD3 -0.0017 -0.0083 0.0005 5387 LYS 667 CE -0.0012 -0.0088 -0.0004 5388 LYS 667 HE2 -0.0009 -0.0080 -0.0006 5389 LYS 667 HE3 -0.0010 -0.0091 -0.0009 5390 LYS 667 NZ -0.0013 -0.0094 -0.0005 5391 LYS 667 HZ1 -0.0016 -0.0092 -0.0000 5392 LYS 667 HZ2 -0.0009 -0.0093 -0.0011 5393 LYS 667 HZ3 -0.0015 -0.0102 -0.0005 5394 LYS 668 N -0.0041 -0.0104 0.0032 5395 LYS 668 HN -0.0038 -0.0104 0.0029 5396 LYS 668 CA -0.0047 -0.0110 0.0040 5397 LYS 668 HA -0.0048 -0.0114 0.0040 5398 LYS 668 C -0.0051 -0.0104 0.0049 5399 LYS 668 O -0.0056 -0.0107 0.0054 5400 LYS 668 CB -0.0049 -0.0118 0.0039 5401 LYS 668 HB2 -0.0046 -0.0115 0.0036 5402 LYS 668 HB3 -0.0053 -0.0119 0.0046 5403 LYS 668 CG -0.0049 -0.0129 0.0035 5404 LYS 668 HG2 -0.0044 -0.0129 0.0028 5405 LYS 668 HG3 -0.0051 -0.0134 0.0036 5406 LYS 668 CD -0.0052 -0.0133 0.0039 5407 LYS 668 HD2 -0.0052 -0.0141 0.0036 5408 LYS 668 HD3 -0.0050 -0.0130 0.0036 5409 LYS 668 CE -0.0059 -0.0133 0.0049 5410 LYS 668 HE2 -0.0061 -0.0131 0.0052 5411 LYS 668 HE3 -0.0062 -0.0140 0.0050 5412 LYS 668 NZ -0.0060 -0.0125 0.0053 5413 LYS 668 HZ1 -0.0058 -0.0118 0.0054 5414 LYS 668 HZ2 -0.0064 -0.0126 0.0059 5415 LYS 668 HZ3 -0.0057 -0.0124 0.0049 5416 MET 669 N -0.0048 -0.0094 0.0050 5417 MET 669 HN -0.0044 -0.0092 0.0046 5418 MET 669 CA -0.0051 -0.0088 0.0057 5419 MET 669 HA -0.0056 -0.0092 0.0062 5420 MET 669 C -0.0051 -0.0085 0.0059 5421 MET 669 O -0.0056 -0.0084 0.0066 5422 MET 669 CB -0.0050 -0.0079 0.0059 5423 MET 669 HB2 -0.0049 -0.0081 0.0057 5424 MET 669 HB3 -0.0054 -0.0076 0.0066 5425 MET 669 CG -0.0044 -0.0070 0.0055 5426 MET 669 HG2 -0.0040 -0.0072 0.0048 5427 MET 669 HG3 -0.0042 -0.0066 0.0054 5428 MET 669 SD -0.0046 -0.0061 0.0061 5429 MET 669 CE -0.0038 -0.0053 0.0053 5430 MET 669 HE1 -0.0038 -0.0047 0.0056 5431 MET 669 HE2 -0.0035 -0.0057 0.0047 5432 MET 669 HE3 -0.0036 -0.0050 0.0052 5433 SER 670 N -0.0046 -0.0084 0.0052 5434 SER 670 HN -0.0043 -0.0085 0.0046 5435 SER 670 CA -0.0045 -0.0082 0.0052 5436 SER 670 HA -0.0048 -0.0077 0.0058 5437 SER 670 C -0.0048 -0.0091 0.0051 5438 SER 670 O -0.0050 -0.0099 0.0051 5439 SER 670 CB -0.0039 -0.0076 0.0045 5440 SER 670 HB2 -0.0036 -0.0081 0.0039 5441 SER 670 HB3 -0.0037 -0.0069 0.0045 5442 SER 670 OG -0.0038 -0.0074 0.0045 5443 SER 670 HG -0.0041 -0.0079 0.0047 5444 SER 670 OXT -0.0046 -0.0089 0.0050