1 SER 347 N 0.0168 -0.0031 -0.0379 2 SER 347 H1 0.0182 -0.0002 -0.0389 3 SER 347 H2 0.0149 -0.0019 -0.0352 4 SER 347 H3 0.0160 -0.0058 -0.0376 5 SER 347 CA 0.0189 -0.0046 -0.0409 6 SER 347 HA 0.0201 -0.0070 -0.0431 7 SER 347 C 0.0172 -0.0072 -0.0395 8 SER 347 O 0.0148 -0.0064 -0.0361 9 SER 347 CB 0.0213 -0.0001 -0.0428 10 SER 347 HB2 0.0232 -0.0011 -0.0455 11 SER 347 HB3 0.0202 0.0024 -0.0408 12 SER 347 OG 0.0225 0.0025 -0.0437 13 SER 347 HG 0.0237 0.0056 -0.0444 14 ARG 348 N 0.0185 -0.0106 -0.0419 15 ARG 348 HN 0.0206 -0.0111 -0.0447 16 ARG 348 CA 0.0169 -0.0138 -0.0408 17 ARG 348 HA 0.0148 -0.0156 -0.0385 18 ARG 348 C 0.0160 -0.0114 -0.0389 19 ARG 348 O 0.0133 -0.0121 -0.0357 20 ARG 348 CB 0.0187 -0.0179 -0.0440 21 ARG 348 HB2 0.0210 -0.0163 -0.0465 22 ARG 348 HB3 0.0174 -0.0200 -0.0429 23 ARG 348 CG 0.0189 -0.0215 -0.0452 24 ARG 348 HG2 0.0203 -0.0196 -0.0466 25 ARG 348 HG3 0.0166 -0.0229 -0.0427 26 ARG 348 CD 0.0203 -0.0258 -0.0481 27 ARG 348 HD2 0.0189 -0.0278 -0.0469 28 ARG 348 HD3 0.0226 -0.0245 -0.0508 29 ARG 348 NE 0.0204 -0.0290 -0.0491 30 ARG 348 HE 0.0224 -0.0287 -0.0516 31 ARG 348 CZ 0.0183 -0.0328 -0.0473 32 ARG 348 NH1 0.0155 -0.0336 -0.0440 33 ARG 348 HH11 0.0150 -0.0313 -0.0427 34 ARG 348 HH12 0.0140 -0.0364 -0.0428 35 ARG 348 NH2 0.0189 -0.0358 -0.0489 36 ARG 348 HH21 0.0210 -0.0354 -0.0515 37 ARG 348 HH22 0.0174 -0.0386 -0.0477 38 ALA 349 N 0.0177 -0.0098 -0.0399 39 ALA 349 HN 0.0194 -0.0094 -0.0425 40 ALA 349 CA 0.0173 -0.0075 -0.0387 41 ALA 349 HA 0.0165 -0.0100 -0.0380 42 ALA 349 C 0.0155 -0.0045 -0.0351 43 ALA 349 O 0.0137 -0.0050 -0.0324 44 ALA 349 CB 0.0197 -0.0050 -0.0418 45 ALA 349 HB1 0.0207 -0.0025 -0.0427 46 ALA 349 HB2 0.0209 -0.0073 -0.0443 47 ALA 349 HB3 0.0194 -0.0034 -0.0409 48 SER 350 N 0.0160 -0.0015 -0.0351 49 SER 350 HN 0.0176 -0.0011 -0.0376 50 SER 350 CA 0.0144 0.0009 -0.0320 51 SER 350 HA 0.0143 0.0036 -0.0311 52 SER 350 C 0.0118 -0.0017 -0.0286 53 SER 350 O 0.0102 -0.0007 -0.0258 54 SER 350 CB 0.0155 0.0028 -0.0333 55 SER 350 HB2 0.0161 0.0002 -0.0349 56 SER 350 HB3 0.0171 0.0054 -0.0351 57 SER 350 OG 0.0139 0.0045 -0.0304 58 SER 350 HG 0.0135 0.0023 -0.0302 59 LEU 351 N 0.0119 -0.0037 -0.0293 60 LEU 351 HN 0.0132 -0.0042 -0.0317 61 LEU 351 CA 0.0097 -0.0067 -0.0266 62 LEU 351 HA 0.0087 -0.0049 -0.0243 63 LEU 351 C 0.0084 -0.0085 -0.0249 64 LEU 351 O 0.0065 -0.0079 -0.0214 65 LEU 351 CB 0.0100 -0.0104 -0.0283 66 LEU 351 HB2 0.0112 -0.0087 -0.0298 67 LEU 351 HB3 0.0108 -0.0125 -0.0304 68 LEU 351 CG 0.0078 -0.0131 -0.0255 69 LEU 351 HG 0.0070 -0.0108 -0.0233 70 LEU 351 CD1 0.0085 -0.0156 -0.0275 71 LEU 351 HD11 0.0093 -0.0180 -0.0297 72 LEU 351 HD12 0.0097 -0.0134 -0.0288 73 LEU 351 HD13 0.0070 -0.0173 -0.0255 74 LEU 351 CD2 0.0060 -0.0162 -0.0234 75 LEU 351 HD21 0.0068 -0.0185 -0.0255 76 LEU 351 HD22 0.0046 -0.0180 -0.0215 77 LEU 351 HD23 0.0053 -0.0144 -0.0216 78 ARG 352 N 0.0093 -0.0106 -0.0272 79 ARG 352 HN 0.0108 -0.0110 -0.0300 80 ARG 352 CA 0.0084 -0.0121 -0.0261 81 ARG 352 HA 0.0068 -0.0146 -0.0243 82 ARG 352 C 0.0076 -0.0086 -0.0236 83 ARG 352 O 0.0056 -0.0092 -0.0204 84 ARG 352 CB 0.0100 -0.0138 -0.0295 85 ARG 352 HB2 0.0116 -0.0112 -0.0314 86 ARG 352 HB3 0.0093 -0.0145 -0.0284 87 ARG 352 CG 0.0105 -0.0179 -0.0318 88 ARG 352 HG2 0.0112 -0.0174 -0.0327 89 ARG 352 HG3 0.0089 -0.0205 -0.0299 90 ARG 352 CD 0.0123 -0.0193 -0.0353 91 ARG 352 HD2 0.0117 -0.0199 -0.0344 92 ARG 352 HD3 0.0139 -0.0167 -0.0372 93 ARG 352 NE 0.0126 -0.0233 -0.0372 94 ARG 352 HE 0.0115 -0.0249 -0.0358 95 ARG 352 CZ 0.0142 -0.0252 -0.0406 96 ARG 352 NH1 0.0158 -0.0234 -0.0428 97 ARG 352 HH11 0.0158 -0.0207 -0.0418 98 ARG 352 HH12 0.0169 -0.0250 -0.0452 99 ARG 352 NH2 0.0142 -0.0290 -0.0419 100 ARG 352 HH21 0.0130 -0.0305 -0.0402 101 ARG 352 HH22 0.0153 -0.0305 -0.0443 102 ARG 353 N 0.0090 -0.0057 -0.0240 103 ARG 353 HN 0.0104 -0.0054 -0.0261 104 ARG 353 CA 0.0086 -0.0024 -0.0225 105 ARG 353 HA 0.0082 -0.0031 -0.0221 106 ARG 353 C 0.0068 -0.0011 -0.0193 107 ARG 353 O 0.0055 -0.0004 -0.0170 108 ARG 353 CB 0.0106 0.0008 -0.0248 109 ARG 353 HB2 0.0119 -0.0005 -0.0272 110 ARG 353 HB3 0.0108 0.0020 -0.0248 111 ARG 353 CG 0.0106 0.0038 -0.0241 112 ARG 353 HG2 0.0093 0.0050 -0.0216 113 ARG 353 HG3 0.0120 0.0060 -0.0256 114 ARG 353 CD 0.0108 0.0026 -0.0246 115 ARG 353 HD2 0.0095 0.0004 -0.0232 116 ARG 353 HD3 0.0107 0.0050 -0.0239 117 ARG 353 NE 0.0128 0.0016 -0.0281 118 ARG 353 HE 0.0140 0.0036 -0.0295 119 ARG 353 CZ 0.0131 -0.0018 -0.0295 120 ARG 353 NH1 0.0116 -0.0048 -0.0280 121 ARG 353 HH11 0.0102 -0.0045 -0.0256 122 ARG 353 HH12 0.0119 -0.0072 -0.0291 123 ARG 353 NH2 0.0150 -0.0023 -0.0327 124 ARG 353 HH21 0.0161 -0.0001 -0.0339 125 ARG 353 HH22 0.0152 -0.0047 -0.0338 126 HIS 354 N 0.0067 -0.0009 -0.0190 127 HIS 354 HN 0.0079 -0.0014 -0.0210 128 HIS 354 CA 0.0050 -0.0003 -0.0161 129 HIS 354 HA 0.0047 0.0024 -0.0150 130 HIS 354 C 0.0031 -0.0031 -0.0137 131 HIS 354 O 0.0015 -0.0020 -0.0110 132 HIS 354 CB 0.0054 -0.0001 -0.0167 133 HIS 354 HB2 0.0041 0.0004 -0.0145 134 HIS 354 HB3 0.0057 -0.0028 -0.0178 135 HIS 354 CG 0.0072 0.0028 -0.0188 136 HIS 354 ND1 0.0083 0.0027 -0.0207 137 HIS 354 HD1 0.0084 0.0005 -0.0214 138 HIS 354 CD2 0.0082 0.0057 -0.0197 139 HIS 354 HD2 0.0078 0.0066 -0.0188 140 HIS 354 CE1 0.0099 0.0053 -0.0225 141 HIS 354 HE1 0.0111 0.0058 -0.0243 142 HIS 354 NE2 0.0099 0.0072 -0.0220 143 HIS 354 HE2 0.0110 0.0092 -0.0233 144 TYR 355 N 0.0038 -0.0050 -0.0146 145 TYR 355 HN 0.0047 -0.0055 -0.0165 146 TYR 355 CA 0.0023 -0.0074 -0.0131 147 TYR 355 HA 0.0016 -0.0067 -0.0114 148 TYR 355 C 0.0015 -0.0082 -0.0120 149 TYR 355 O 0.0001 -0.0089 -0.0098 150 TYR 355 CB 0.0024 -0.0101 -0.0145 151 TYR 355 HB2 0.0035 -0.0103 -0.0166 152 TYR 355 HB3 0.0014 -0.0120 -0.0137 153 TYR 355 CG 0.0022 -0.0097 -0.0140 154 TYR 355 CD1 0.0009 -0.0113 -0.0123 155 TYR 355 HD1 -0.0001 -0.0129 -0.0114 156 TYR 355 CD2 0.0034 -0.0076 -0.0151 157 TYR 355 HD2 0.0044 -0.0063 -0.0164 158 TYR 355 CE1 0.0006 -0.0109 -0.0117 159 TYR 355 HE1 -0.0004 -0.0122 -0.0104 160 TYR 355 CE2 0.0032 -0.0072 -0.0145 161 TYR 355 HE2 0.0041 -0.0056 -0.0154 162 TYR 355 CZ 0.0018 -0.0089 -0.0128 163 TYR 355 OH 0.0016 -0.0084 -0.0122 164 TYR 355 HH 0.0025 -0.0069 -0.0132 165 SER 356 N 0.0024 -0.0080 -0.0134 166 SER 356 HN 0.0035 -0.0077 -0.0153 167 SER 356 CA 0.0018 -0.0083 -0.0125 168 SER 356 HA 0.0008 -0.0104 -0.0118 169 SER 356 C 0.0011 -0.0061 -0.0102 170 SER 356 O -0.0002 -0.0068 -0.0081 171 SER 356 CB 0.0030 -0.0083 -0.0147 172 SER 356 HB2 0.0025 -0.0086 -0.0139 173 SER 356 HB3 0.0040 -0.0062 -0.0155 174 SER 356 OG 0.0035 -0.0105 -0.0168 175 SER 356 HG 0.0027 -0.0123 -0.0162 176 VAL 357 N 0.0017 -0.0028 -0.0085 177 VAL 357 HN 0.0025 -0.0024 -0.0098 178 VAL 357 CA 0.0016 -0.0010 -0.0071 179 VAL 357 HA 0.0012 -0.0015 -0.0065 180 VAL 357 C 0.0008 -0.0004 -0.0051 181 VAL 357 O 0.0002 0.0002 -0.0035 182 VAL 357 CB 0.0029 0.0010 -0.0081 183 VAL 357 HB 0.0033 0.0018 -0.0084 184 VAL 357 CG1 0.0037 0.0005 -0.0101 185 VAL 357 HG11 0.0033 -0.0002 -0.0098 186 VAL 357 HG12 0.0046 0.0020 -0.0108 187 VAL 357 HG13 0.0039 -0.0006 -0.0112 188 VAL 357 CG2 0.0028 0.0027 -0.0067 189 VAL 357 HG21 0.0024 0.0022 -0.0065 190 VAL 357 HG22 0.0021 0.0031 -0.0051 191 VAL 357 HG23 0.0036 0.0042 -0.0073 192 ARG 358 N 0.0008 -0.0007 -0.0053 193 ARG 358 HN 0.0013 -0.0013 -0.0066 194 ARG 358 CA -0.0001 -0.0006 -0.0036 195 ARG 358 HA 0.0001 0.0009 -0.0027 196 ARG 358 C -0.0014 -0.0022 -0.0021 197 ARG 358 O -0.0021 -0.0015 -0.0003 198 ARG 358 CB 0.0002 -0.0008 -0.0042 199 ARG 358 HB2 -0.0004 -0.0006 -0.0028 200 ARG 358 HB3 0.0011 0.0005 -0.0050 201 ARG 358 CG 0.0001 -0.0029 -0.0055 202 ARG 358 HG2 -0.0008 -0.0043 -0.0046 203 ARG 358 HG3 0.0006 -0.0033 -0.0067 204 ARG 358 CD 0.0006 -0.0028 -0.0064 205 ARG 358 HD2 0.0007 -0.0043 -0.0076 206 ARG 358 HD3 0.0015 -0.0014 -0.0071 207 ARG 358 NE -0.0002 -0.0029 -0.0049 208 ARG 358 HE -0.0010 -0.0032 -0.0035 209 ARG 358 CZ -0.0000 -0.0030 -0.0052 210 ARG 358 NH1 0.0009 -0.0028 -0.0070 211 ARG 358 HH11 0.0017 -0.0020 -0.0080 212 ARG 358 HH12 0.0013 -0.0018 -0.0070 213 ARG 358 NH2 -0.0009 -0.0032 -0.0037 214 ARG 358 HH21 -0.0017 -0.0033 -0.0023 215 ARG 358 HH22 -0.0008 -0.0034 -0.0040 216 HIS 359 N -0.0004 -0.0026 -0.0032 217 HIS 359 HN 0.0000 -0.0029 -0.0041 218 HIS 359 CA -0.0010 -0.0037 -0.0024 219 HIS 359 HA -0.0013 -0.0036 -0.0016 220 HIS 359 C -0.0012 -0.0036 -0.0018 221 HIS 359 O -0.0018 -0.0038 -0.0007 222 HIS 359 CB -0.0011 -0.0052 -0.0031 223 HIS 359 HB2 -0.0008 -0.0055 -0.0038 224 HIS 359 HB3 -0.0008 -0.0052 -0.0036 225 HIS 359 CG -0.0018 -0.0063 -0.0021 226 HIS 359 ND1 -0.0021 -0.0075 -0.0021 227 HIS 359 HD1 -0.0018 -0.0079 -0.0028 228 HIS 359 CD2 -0.0023 -0.0062 -0.0010 229 HIS 359 HD2 -0.0022 -0.0053 -0.0006 230 HIS 359 CE1 -0.0027 -0.0081 -0.0010 231 HIS 359 HE1 -0.0031 -0.0091 -0.0008 232 HIS 359 NE2 -0.0028 -0.0073 -0.0003 233 HIS 359 HE2 -0.0033 -0.0074 0.0007 234 LEU 360 N -0.0008 -0.0032 -0.0026 235 LEU 360 HN -0.0003 -0.0032 -0.0036 236 LEU 360 CA -0.0008 -0.0029 -0.0022 237 LEU 360 HA -0.0012 -0.0038 -0.0020 238 LEU 360 C -0.0012 -0.0018 -0.0010 239 LEU 360 O -0.0017 -0.0022 -0.0000 240 LEU 360 CB -0.0002 -0.0022 -0.0034 241 LEU 360 HB2 0.0002 -0.0013 -0.0036 242 LEU 360 HB3 -0.0003 -0.0018 -0.0029 243 LEU 360 CG 0.0002 -0.0031 -0.0046 244 LEU 360 HG 0.0003 -0.0035 -0.0051 245 LEU 360 CD1 0.0009 -0.0023 -0.0057 246 LEU 360 HD11 0.0008 -0.0019 -0.0053 247 LEU 360 HD12 0.0012 -0.0014 -0.0059 248 LEU 360 HD13 0.0011 -0.0029 -0.0066 249 LEU 360 CD2 -0.0002 -0.0044 -0.0044 250 LEU 360 HD21 -0.0003 -0.0041 -0.0040 251 LEU 360 HD22 0.0000 -0.0051 -0.0054 252 LEU 360 HD23 -0.0007 -0.0051 -0.0038 253 ALA 361 N -0.0011 0.0000 0.0003 254 ALA 361 HN -0.0008 0.0002 -0.0003 255 ALA 361 CA -0.0012 0.0009 0.0012 256 ALA 361 HA -0.0012 0.0011 0.0013 257 ALA 361 C -0.0016 0.0006 0.0023 258 ALA 361 O -0.0019 0.0007 0.0031 259 ALA 361 CB -0.0009 0.0020 0.0008 260 ALA 361 HB1 -0.0008 0.0018 0.0006 261 ALA 361 HB2 -0.0006 0.0023 0.0001 262 ALA 361 HB3 -0.0009 0.0027 0.0015 263 ALA 362 N -0.0017 0.0002 0.0023 264 ALA 362 HN -0.0015 0.0001 0.0016 265 ALA 362 CA -0.0021 -0.0003 0.0032 266 ALA 362 HA -0.0022 0.0003 0.0039 267 ALA 362 C -0.0025 -0.0013 0.0036 268 ALA 362 O -0.0028 -0.0014 0.0046 269 ALA 362 CB -0.0021 -0.0006 0.0029 270 ALA 362 HB1 -0.0020 -0.0013 0.0022 271 ALA 362 HB2 -0.0018 0.0001 0.0027 272 ALA 362 HB3 -0.0024 -0.0010 0.0036 273 ARG 363 N -0.0021 -0.0013 0.0026 274 ARG 363 HN -0.0017 -0.0014 0.0020 275 ARG 363 CA -0.0026 -0.0018 0.0028 276 ARG 363 HA -0.0031 -0.0022 0.0031 277 ARG 363 C -0.0028 -0.0011 0.0034 278 ARG 363 O -0.0034 -0.0012 0.0040 279 ARG 363 CB -0.0023 -0.0024 0.0021 280 ARG 363 HB2 -0.0022 -0.0028 0.0016 281 ARG 363 HB3 -0.0019 -0.0019 0.0018 282 ARG 363 CG -0.0029 -0.0031 0.0023 283 ARG 363 HG2 -0.0033 -0.0036 0.0025 284 ARG 363 HG3 -0.0032 -0.0027 0.0029 285 ARG 363 CD -0.0026 -0.0035 0.0018 286 ARG 363 HD2 -0.0022 -0.0030 0.0016 287 ARG 363 HD3 -0.0024 -0.0040 0.0012 288 ARG 363 NE -0.0033 -0.0041 0.0021 289 ARG 363 HE -0.0035 -0.0048 0.0020 290 ARG 363 CZ -0.0037 -0.0037 0.0028 291 ARG 363 NH1 -0.0035 -0.0029 0.0031 292 ARG 363 HH11 -0.0030 -0.0025 0.0028 293 ARG 363 HH12 -0.0039 -0.0027 0.0037 294 ARG 363 NH2 -0.0044 -0.0042 0.0034 295 ARG 363 HH21 -0.0046 -0.0048 0.0033 296 ARG 363 HH22 -0.0046 -0.0038 0.0039 297 GLU 364 N -0.0022 -0.0003 0.0032 298 GLU 364 HN -0.0017 -0.0003 0.0027 299 GLU 364 CA -0.0022 0.0004 0.0037 300 GLU 364 HA -0.0025 0.0001 0.0039 301 GLU 364 C -0.0027 0.0009 0.0045 302 GLU 364 O -0.0032 0.0010 0.0051 303 GLU 364 CB -0.0015 0.0012 0.0033 304 GLU 364 HB2 -0.0011 0.0009 0.0027 305 GLU 364 HB3 -0.0013 0.0016 0.0033 306 GLU 364 CG -0.0015 0.0018 0.0037 307 GLU 364 HG2 -0.0015 0.0015 0.0035 308 GLU 364 HG3 -0.0020 0.0019 0.0044 309 GLU 364 CD -0.0009 0.0028 0.0037 310 GLU 364 OE1 -0.0005 0.0031 0.0033 311 GLU 364 OE2 -0.0009 0.0033 0.0040 312 LEU 365 N -0.0020 0.0014 0.0054 313 LEU 365 HN -0.0018 0.0015 0.0050 314 LEU 365 CA -0.0022 0.0017 0.0060 315 LEU 365 HA -0.0023 0.0021 0.0060 316 LEU 365 C -0.0025 0.0012 0.0065 317 LEU 365 O -0.0026 0.0013 0.0069 318 LEU 365 CB -0.0023 0.0021 0.0060 319 LEU 365 HB2 -0.0021 0.0024 0.0056 320 LEU 365 HB3 -0.0022 0.0017 0.0060 321 LEU 365 CG -0.0025 0.0025 0.0066 322 LEU 365 HG -0.0027 0.0021 0.0070 323 LEU 365 CD1 -0.0026 0.0031 0.0067 324 LEU 365 HD11 -0.0024 0.0034 0.0063 325 LEU 365 HD12 -0.0026 0.0029 0.0067 326 LEU 365 HD13 -0.0028 0.0033 0.0071 327 LEU 365 CD2 -0.0026 0.0027 0.0066 328 LEU 365 HD21 -0.0024 0.0030 0.0062 329 LEU 365 HD22 -0.0028 0.0029 0.0071 330 LEU 365 HD23 -0.0025 0.0022 0.0066 331 LEU 366 N -0.0024 0.0006 0.0065 332 LEU 366 HN -0.0023 0.0005 0.0061 333 LEU 366 CA -0.0026 0.0000 0.0069 334 LEU 366 HA -0.0028 0.0002 0.0073 335 LEU 366 C -0.0026 -0.0003 0.0070 336 LEU 366 O -0.0029 -0.0004 0.0075 337 LEU 366 CB -0.0025 -0.0005 0.0067 338 LEU 366 HB2 -0.0025 -0.0003 0.0067 339 LEU 366 HB3 -0.0023 -0.0007 0.0062 340 LEU 366 CG -0.0026 -0.0012 0.0071 341 LEU 366 HG -0.0026 -0.0014 0.0069 342 LEU 366 CD1 -0.0025 -0.0018 0.0069 343 LEU 366 HD11 -0.0026 -0.0016 0.0069 344 LEU 366 HD12 -0.0023 -0.0019 0.0064 345 LEU 366 HD13 -0.0027 -0.0022 0.0072 346 LEU 366 CD2 -0.0030 -0.0011 0.0078 347 LEU 366 HD21 -0.0030 -0.0009 0.0079 348 LEU 366 HD22 -0.0030 -0.0015 0.0080 349 LEU 366 HD23 -0.0030 -0.0007 0.0079 350 ASP 367 N -0.0025 0.0006 0.0066 351 ASP 367 HN -0.0022 0.0006 0.0060 352 ASP 367 CA -0.0027 0.0003 0.0068 353 ASP 367 HA -0.0031 -0.0001 0.0073 354 ASP 367 C -0.0028 0.0010 0.0073 355 ASP 367 O -0.0031 0.0009 0.0079 356 ASP 367 CB -0.0025 -0.0001 0.0061 357 ASP 367 HB2 -0.0026 -0.0001 0.0063 358 ASP 367 HB3 -0.0022 0.0002 0.0056 359 ASP 367 CG -0.0027 -0.0011 0.0059 360 ASP 367 OD1 -0.0030 -0.0015 0.0063 361 ASP 367 OD2 -0.0025 -0.0014 0.0053 362 THR 368 N -0.0024 0.0018 0.0071 363 THR 368 HN -0.0021 0.0019 0.0066 364 THR 368 CA -0.0024 0.0026 0.0075 365 THR 368 HA -0.0025 0.0024 0.0076 366 THR 368 C -0.0027 0.0028 0.0084 367 THR 368 O -0.0029 0.0030 0.0089 368 THR 368 CB -0.0019 0.0034 0.0071 369 THR 368 HB -0.0020 0.0039 0.0076 370 THR 368 OG1 -0.0017 0.0036 0.0069 371 THR 368 HG1 -0.0016 0.0032 0.0065 372 THR 368 CG2 -0.0016 0.0033 0.0064 373 THR 368 HG21 -0.0015 0.0027 0.0060 374 THR 368 HG22 -0.0017 0.0032 0.0066 375 THR 368 HG23 -0.0013 0.0039 0.0061 376 GLU 369 N -0.0011 0.0034 0.0081 377 GLU 369 HN -0.0008 0.0031 0.0079 378 GLU 369 CA -0.0019 0.0033 0.0086 379 GLU 369 HA -0.0020 0.0039 0.0088 380 GLU 369 C -0.0024 0.0030 0.0089 381 GLU 369 O -0.0029 0.0034 0.0093 382 GLU 369 CB -0.0020 0.0026 0.0086 383 GLU 369 HB2 -0.0015 0.0028 0.0083 384 GLU 369 HB3 -0.0019 0.0020 0.0084 385 GLU 369 CG -0.0027 0.0026 0.0090 386 GLU 369 HG2 -0.0031 0.0024 0.0093 387 GLU 369 HG3 -0.0027 0.0020 0.0090 388 GLU 369 CD -0.0029 0.0033 0.0093 389 GLU 369 OE1 -0.0024 0.0040 0.0091 390 GLU 369 OE2 -0.0035 0.0033 0.0097 391 LYS 370 N -0.0023 0.0023 0.0087 392 LYS 370 HN -0.0019 0.0019 0.0084 393 LYS 370 CA -0.0027 0.0020 0.0090 394 LYS 370 HA -0.0032 0.0018 0.0093 395 LYS 370 C -0.0028 0.0027 0.0091 396 LYS 370 O -0.0034 0.0029 0.0096 397 LYS 370 CB -0.0024 0.0012 0.0087 398 LYS 370 HB2 -0.0018 0.0015 0.0083 399 LYS 370 HB3 -0.0027 0.0011 0.0089 400 LYS 370 CG -0.0024 0.0004 0.0085 401 LYS 370 HG2 -0.0029 0.0001 0.0089 402 LYS 370 HG3 -0.0021 0.0005 0.0084 403 LYS 370 CD -0.0019 -0.0002 0.0081 404 LYS 370 HD2 -0.0022 -0.0004 0.0083 405 LYS 370 HD3 -0.0014 0.0001 0.0078 406 LYS 370 CE -0.0018 -0.0011 0.0080 407 LYS 370 HE2 -0.0017 -0.0009 0.0079 408 LYS 370 HE3 -0.0023 -0.0015 0.0082 409 LYS 370 NZ -0.0012 -0.0015 0.0075 410 LYS 370 HZ1 -0.0007 -0.0010 0.0072 411 LYS 370 HZ2 -0.0011 -0.0020 0.0073 412 LYS 370 HZ3 -0.0013 -0.0016 0.0075 413 SER 371 N -0.0025 0.0059 0.0100 414 SER 371 HN -0.0023 0.0057 0.0102 415 SER 371 CA -0.0025 0.0062 0.0101 416 SER 371 HA -0.0026 0.0065 0.0099 417 SER 371 C -0.0026 0.0061 0.0099 418 SER 371 O -0.0027 0.0064 0.0097 419 SER 371 CB -0.0022 0.0064 0.0104 420 SER 371 HB2 -0.0020 0.0061 0.0106 421 SER 371 HB3 -0.0021 0.0065 0.0105 422 SER 371 OG -0.0022 0.0067 0.0104 423 SER 371 HG -0.0024 0.0069 0.0103 424 PHE 372 N -0.0026 0.0057 0.0099 425 PHE 372 HN -0.0024 0.0055 0.0100 426 PHE 372 CA -0.0027 0.0055 0.0097 427 PHE 372 HA -0.0027 0.0057 0.0097 428 PHE 372 C -0.0030 0.0056 0.0093 429 PHE 372 O -0.0032 0.0058 0.0092 430 PHE 372 CB -0.0026 0.0050 0.0097 431 PHE 372 HB2 -0.0024 0.0050 0.0100 432 PHE 372 HB3 -0.0027 0.0048 0.0096 433 PHE 372 CG -0.0028 0.0049 0.0095 434 PHE 372 CD1 -0.0029 0.0045 0.0092 435 PHE 372 HD1 -0.0030 0.0044 0.0092 436 PHE 372 CD2 -0.0027 0.0050 0.0096 437 PHE 372 HD2 -0.0026 0.0053 0.0098 438 PHE 372 CE1 -0.0031 0.0044 0.0091 439 PHE 372 HE1 -0.0032 0.0042 0.0089 440 PHE 372 CE2 -0.0029 0.0049 0.0094 441 PHE 372 HE2 -0.0029 0.0051 0.0094 442 PHE 372 CZ -0.0031 0.0046 0.0091 443 PHE 372 HZ -0.0032 0.0045 0.0090 444 VAL 373 N -0.0015 0.0056 0.0097 445 VAL 373 HN -0.0012 0.0053 0.0102 446 VAL 373 CA -0.0018 0.0059 0.0090 447 VAL 373 HA -0.0022 0.0056 0.0086 448 VAL 373 C -0.0017 0.0069 0.0087 449 VAL 373 O -0.0021 0.0071 0.0080 450 VAL 373 CB -0.0019 0.0055 0.0091 451 VAL 373 HB -0.0015 0.0058 0.0096 452 VAL 373 CG1 -0.0022 0.0059 0.0084 453 VAL 373 HG11 -0.0026 0.0057 0.0079 454 VAL 373 HG12 -0.0020 0.0066 0.0084 455 VAL 373 HG13 -0.0022 0.0056 0.0085 456 VAL 373 CG2 -0.0021 0.0045 0.0093 457 VAL 373 HG21 -0.0025 0.0042 0.0088 458 VAL 373 HG22 -0.0020 0.0043 0.0094 459 VAL 373 HG23 -0.0018 0.0043 0.0098 460 GLU 374 N -0.0012 0.0075 0.0092 461 GLU 374 HN -0.0010 0.0072 0.0097 462 GLU 374 CA -0.0010 0.0084 0.0091 463 GLU 374 HA -0.0012 0.0087 0.0087 464 GLU 374 C -0.0012 0.0088 0.0087 465 GLU 374 O -0.0014 0.0093 0.0081 466 GLU 374 CB -0.0004 0.0087 0.0098 467 GLU 374 HB2 -0.0004 0.0087 0.0099 468 GLU 374 HB3 -0.0003 0.0083 0.0103 469 GLU 374 CG -0.0001 0.0097 0.0099 470 GLU 374 HG2 0.0003 0.0099 0.0103 471 GLU 374 HG3 -0.0003 0.0101 0.0094 472 GLU 374 CD 0.0002 0.0098 0.0103 473 GLU 374 OE1 0.0005 0.0093 0.0110 474 GLU 374 OE2 0.0002 0.0103 0.0100 475 GLY 375 N -0.0012 0.0097 0.0103 476 GLY 375 HN -0.0013 0.0095 0.0109 477 GLY 375 CA -0.0013 0.0092 0.0100 478 GLY 375 HA2 -0.0012 0.0097 0.0100 479 GLY 375 HA3 -0.0014 0.0086 0.0104 480 GLY 375 C -0.0013 0.0088 0.0089 481 GLY 375 O -0.0012 0.0091 0.0084 482 LEU 376 N -0.0014 0.0083 0.0087 483 LEU 376 HN -0.0015 0.0081 0.0092 484 LEU 376 CA -0.0014 0.0079 0.0077 485 LEU 376 HA -0.0015 0.0076 0.0075 486 LEU 376 C -0.0012 0.0087 0.0070 487 LEU 376 O -0.0012 0.0087 0.0063 488 LEU 376 CB -0.0016 0.0073 0.0077 489 LEU 376 HB2 -0.0015 0.0077 0.0078 490 LEU 376 HB3 -0.0016 0.0071 0.0069 491 LEU 376 CG -0.0018 0.0065 0.0083 492 LEU 376 HG -0.0018 0.0067 0.0090 493 LEU 376 CD1 -0.0019 0.0060 0.0082 494 LEU 376 HD11 -0.0020 0.0057 0.0075 495 LEU 376 HD12 -0.0018 0.0065 0.0084 496 LEU 376 HD13 -0.0021 0.0054 0.0088 497 LEU 376 CD2 -0.0020 0.0058 0.0082 498 LEU 376 HD21 -0.0020 0.0054 0.0075 499 LEU 376 HD22 -0.0021 0.0052 0.0087 500 LEU 376 HD23 -0.0019 0.0061 0.0083 501 GLU 377 N -0.0002 0.0099 0.0068 502 GLU 377 HN 0.0000 0.0095 0.0075 503 GLU 377 CA -0.0004 0.0108 0.0062 504 GLU 377 HA -0.0008 0.0106 0.0054 505 GLU 377 C -0.0002 0.0120 0.0061 506 GLU 377 O -0.0006 0.0124 0.0051 507 GLU 377 CB -0.0001 0.0111 0.0067 508 GLU 377 HB2 0.0004 0.0113 0.0076 509 GLU 377 HB3 -0.0001 0.0119 0.0063 510 GLU 377 CG -0.0003 0.0101 0.0067 511 GLU 377 HG2 -0.0002 0.0093 0.0071 512 GLU 377 HG3 -0.0007 0.0099 0.0058 513 GLU 377 CD -0.0000 0.0103 0.0072 514 GLU 377 OE1 -0.0003 0.0101 0.0066 515 GLU 377 OE2 0.0005 0.0105 0.0081 516 PHE 378 N 0.0003 0.0124 0.0070 517 PHE 378 HN 0.0005 0.0121 0.0077 518 PHE 378 CA 0.0004 0.0133 0.0070 519 PHE 378 HA 0.0004 0.0141 0.0065 520 PHE 378 C 0.0001 0.0131 0.0063 521 PHE 378 O -0.0001 0.0138 0.0056 522 PHE 378 CB 0.0010 0.0137 0.0081 523 PHE 378 HB2 0.0011 0.0129 0.0087 524 PHE 378 HB3 0.0011 0.0142 0.0081 525 PHE 378 CG 0.0014 0.0146 0.0085 526 PHE 378 CD1 0.0018 0.0143 0.0095 527 PHE 378 HD1 0.0018 0.0134 0.0099 528 PHE 378 CD2 0.0013 0.0157 0.0080 529 PHE 378 HD2 0.0010 0.0159 0.0073 530 PHE 378 CE1 0.0021 0.0150 0.0100 531 PHE 378 HE1 0.0024 0.0148 0.0107 532 PHE 378 CE2 0.0017 0.0165 0.0085 533 PHE 378 HE2 0.0016 0.0173 0.0081 534 PHE 378 CZ 0.0021 0.0162 0.0095 535 PHE 378 HZ 0.0023 0.0168 0.0098 536 LEU 379 N 0.0006 0.0119 0.0070 537 LEU 379 HN 0.0003 0.0116 0.0079 538 LEU 379 CA 0.0005 0.0107 0.0059 539 LEU 379 HA 0.0004 0.0106 0.0059 540 LEU 379 C 0.0010 0.0108 0.0043 541 LEU 379 O 0.0013 0.0108 0.0033 542 LEU 379 CB -0.0003 0.0093 0.0064 543 LEU 379 HB2 -0.0006 0.0092 0.0075 544 LEU 379 HB3 -0.0003 0.0094 0.0066 545 LEU 379 CG -0.0006 0.0078 0.0054 546 LEU 379 HG -0.0011 0.0070 0.0062 547 LEU 379 CD1 -0.0003 0.0076 0.0042 548 LEU 379 HD11 0.0002 0.0082 0.0033 549 LEU 379 HD12 -0.0003 0.0078 0.0046 550 LEU 379 HD13 -0.0007 0.0064 0.0038 551 LEU 379 CD2 -0.0005 0.0075 0.0049 552 LEU 379 HD21 0.0000 0.0083 0.0041 553 LEU 379 HD22 -0.0008 0.0064 0.0043 554 LEU 379 HD23 -0.0008 0.0077 0.0058 555 VAL 380 N 0.0012 0.0111 0.0041 556 VAL 380 HN 0.0009 0.0111 0.0050 557 VAL 380 CA 0.0017 0.0113 0.0027 558 VAL 380 HA 0.0015 0.0104 0.0020 559 VAL 380 C 0.0024 0.0126 0.0021 560 VAL 380 O 0.0027 0.0124 0.0009 561 VAL 380 CB 0.0017 0.0113 0.0028 562 VAL 380 HB 0.0017 0.0122 0.0037 563 VAL 380 CG1 0.0009 0.0099 0.0032 564 VAL 380 HG11 0.0008 0.0090 0.0024 565 VAL 380 HG12 0.0009 0.0100 0.0033 566 VAL 380 HG13 0.0005 0.0097 0.0043 567 VAL 380 CG2 0.0022 0.0117 0.0014 568 VAL 380 HG21 0.0022 0.0109 0.0005 569 VAL 380 HG22 0.0028 0.0127 0.0011 570 VAL 380 HG23 0.0022 0.0117 0.0015 571 THR 381 N 0.0028 0.0149 0.0020 572 THR 381 HN 0.0025 0.0149 0.0031 573 THR 381 CA 0.0035 0.0165 0.0016 574 THR 381 HA 0.0038 0.0167 0.0004 575 THR 381 C 0.0035 0.0166 0.0014 576 THR 381 O 0.0041 0.0173 0.0002 577 THR 381 CB 0.0036 0.0179 0.0028 578 THR 381 HB 0.0032 0.0177 0.0041 579 THR 381 OG1 0.0036 0.0180 0.0030 580 THR 381 HG1 0.0040 0.0184 0.0019 581 THR 381 CG2 0.0043 0.0197 0.0024 582 THR 381 HG21 0.0047 0.0199 0.0011 583 THR 381 HG22 0.0043 0.0198 0.0025 584 THR 381 HG23 0.0044 0.0206 0.0033 585 LYS 382 N 0.0030 0.0158 0.0025 586 LYS 382 HN 0.0026 0.0152 0.0034 587 LYS 382 CA 0.0030 0.0157 0.0025 588 LYS 382 HA 0.0035 0.0169 0.0021 589 LYS 382 C 0.0028 0.0144 0.0012 590 LYS 382 O 0.0032 0.0148 0.0003 591 LYS 382 CB 0.0025 0.0156 0.0043 592 LYS 382 HB2 0.0026 0.0160 0.0043 593 LYS 382 HB3 0.0025 0.0164 0.0052 594 LYS 382 CG 0.0017 0.0138 0.0049 595 LYS 382 HG2 0.0016 0.0132 0.0045 596 LYS 382 HG3 0.0017 0.0131 0.0042 597 LYS 382 CD 0.0012 0.0137 0.0068 598 LYS 382 HD2 0.0007 0.0124 0.0071 599 LYS 382 HD3 0.0013 0.0145 0.0075 600 LYS 382 CE 0.0012 0.0143 0.0075 601 LYS 382 HE2 0.0016 0.0156 0.0077 602 LYS 382 HE3 0.0013 0.0138 0.0066 603 LYS 382 NZ 0.0006 0.0136 0.0091 604 LYS 382 HZ1 0.0005 0.0141 0.0100 605 LYS 382 HZ2 0.0006 0.0137 0.0095 606 LYS 382 HZ3 0.0002 0.0123 0.0090 607 TYR 383 N 0.0033 0.0128 0.0018 608 TYR 383 HN 0.0029 0.0127 0.0026 609 TYR 383 CA 0.0031 0.0112 0.0007 610 TYR 383 HA 0.0035 0.0115 0.0001 611 TYR 383 C 0.0034 0.0106 -0.0007 612 TYR 383 O 0.0038 0.0101 -0.0022 613 TYR 383 CB 0.0020 0.0097 0.0017 614 TYR 383 HB2 0.0016 0.0094 0.0024 615 TYR 383 HB3 0.0019 0.0085 0.0008 616 TYR 383 CG 0.0016 0.0100 0.0030 617 TYR 383 CD1 0.0020 0.0105 0.0025 618 TYR 383 HD1 0.0026 0.0107 0.0012 619 TYR 383 CD2 0.0008 0.0097 0.0047 620 TYR 383 HD2 0.0004 0.0094 0.0050 621 TYR 383 CE1 0.0016 0.0107 0.0037 622 TYR 383 HE1 0.0019 0.0111 0.0033 623 TYR 383 CE2 0.0004 0.0100 0.0058 624 TYR 383 HE2 -0.0003 0.0098 0.0071 625 TYR 383 CZ 0.0008 0.0105 0.0054 626 TYR 383 OH 0.0004 0.0107 0.0066 627 TYR 383 HH -0.0002 0.0106 0.0077 628 MET 384 N 0.0033 0.0105 -0.0005 629 MET 384 HN 0.0030 0.0109 0.0007 630 MET 384 CA 0.0036 0.0099 -0.0018 631 MET 384 HA 0.0033 0.0087 -0.0024 632 MET 384 C 0.0047 0.0110 -0.0032 633 MET 384 O 0.0050 0.0103 -0.0047 634 MET 384 CB 0.0032 0.0097 -0.0011 635 MET 384 HB2 0.0037 0.0110 -0.0008 636 MET 384 HB3 0.0025 0.0092 0.0002 637 MET 384 CG 0.0032 0.0085 -0.0022 638 MET 384 HG2 0.0027 0.0072 -0.0023 639 MET 384 HG3 0.0039 0.0088 -0.0035 640 MET 384 SD 0.0028 0.0084 -0.0015 641 MET 384 CE 0.0040 0.0100 -0.0027 642 MET 384 HE1 0.0040 0.0103 -0.0023 643 MET 384 HE2 0.0044 0.0095 -0.0040 644 MET 384 HE3 0.0044 0.0112 -0.0025 645 ARG 385 N 0.0062 0.0131 -0.0038 646 ARG 385 HN 0.0058 0.0137 -0.0026 647 ARG 385 CA 0.0071 0.0145 -0.0050 648 ARG 385 HA 0.0076 0.0144 -0.0059 649 ARG 385 C 0.0075 0.0140 -0.0060 650 ARG 385 O 0.0082 0.0138 -0.0076 651 ARG 385 CB 0.0073 0.0165 -0.0040 652 ARG 385 HB2 0.0071 0.0166 -0.0035 653 ARG 385 HB3 0.0068 0.0166 -0.0028 654 ARG 385 CG 0.0083 0.0181 -0.0050 655 ARG 385 HG2 0.0088 0.0179 -0.0062 656 ARG 385 HG3 0.0085 0.0181 -0.0054 657 ARG 385 CD 0.0084 0.0200 -0.0041 658 ARG 385 HD2 0.0082 0.0200 -0.0036 659 ARG 385 HD3 0.0092 0.0210 -0.0050 660 ARG 385 NE 0.0078 0.0204 -0.0025 661 ARG 385 HE 0.0071 0.0196 -0.0016 662 ARG 385 CZ 0.0081 0.0218 -0.0022 663 ARG 385 NH1 0.0090 0.0231 -0.0033 664 ARG 385 HH11 0.0095 0.0232 -0.0043 665 ARG 385 HH12 0.0092 0.0242 -0.0029 666 ARG 385 NH2 0.0075 0.0219 -0.0008 667 ARG 385 HH21 0.0068 0.0208 -0.0001 668 ARG 385 HH22 0.0077 0.0229 -0.0005 669 PRO 386 N 0.0071 0.0138 -0.0053 670 PRO 386 CA 0.0073 0.0131 -0.0062 671 PRO 386 HA 0.0080 0.0141 -0.0071 672 PRO 386 C 0.0073 0.0113 -0.0074 673 PRO 386 O 0.0076 0.0109 -0.0083 674 PRO 386 CB 0.0067 0.0131 -0.0048 675 PRO 386 HB2 0.0059 0.0119 -0.0041 676 PRO 386 HB3 0.0069 0.0132 -0.0054 677 PRO 386 CG 0.0066 0.0149 -0.0036 678 PRO 386 HG2 0.0073 0.0161 -0.0042 679 PRO 386 HG3 0.0060 0.0149 -0.0023 680 PRO 386 CD 0.0066 0.0148 -0.0036 681 PRO 386 HD2 0.0070 0.0162 -0.0034 682 PRO 386 HD3 0.0059 0.0141 -0.0025 683 LEU 387 N 0.0079 0.0103 -0.0071 684 LEU 387 HN 0.0076 0.0106 -0.0063 685 LEU 387 CA 0.0080 0.0088 -0.0085 686 LEU 387 HA 0.0083 0.0086 -0.0092 687 LEU 387 C 0.0089 0.0092 -0.0099 688 LEU 387 O 0.0094 0.0087 -0.0114 689 LEU 387 CB 0.0071 0.0070 -0.0078 690 LEU 387 HB2 0.0065 0.0071 -0.0065 691 LEU 387 HB3 0.0070 0.0068 -0.0078 692 LEU 387 CG 0.0070 0.0052 -0.0088 693 LEU 387 HG 0.0063 0.0041 -0.0081 694 LEU 387 CD1 0.0077 0.0047 -0.0107 695 LEU 387 HD11 0.0084 0.0057 -0.0115 696 LEU 387 HD12 0.0078 0.0046 -0.0109 697 LEU 387 HD13 0.0075 0.0033 -0.0112 698 LEU 387 CD2 0.0069 0.0053 -0.0085 699 LEU 387 HD21 0.0076 0.0063 -0.0093 700 LEU 387 HD22 0.0067 0.0039 -0.0090 701 LEU 387 HD23 0.0063 0.0056 -0.0072 702 ARG 388 N 0.0090 0.0102 -0.0095 703 ARG 388 HN 0.0085 0.0106 -0.0083 704 ARG 388 CA 0.0098 0.0108 -0.0107 705 ARG 388 HA 0.0098 0.0096 -0.0116 706 ARG 388 C 0.0108 0.0123 -0.0118 707 ARG 388 O 0.0114 0.0120 -0.0134 708 ARG 388 CB 0.0096 0.0114 -0.0099 709 ARG 388 HB2 0.0102 0.0119 -0.0109 710 ARG 388 HB3 0.0090 0.0102 -0.0095 711 ARG 388 CG 0.0093 0.0129 -0.0083 712 ARG 388 HG2 0.0098 0.0141 -0.0086 713 ARG 388 HG3 0.0086 0.0123 -0.0073 714 ARG 388 CD 0.0092 0.0136 -0.0078 715 ARG 388 HD2 0.0088 0.0143 -0.0064 716 ARG 388 HD3 0.0089 0.0125 -0.0079 717 ARG 388 NE 0.0103 0.0151 -0.0088 718 ARG 388 HE 0.0106 0.0162 -0.0089 719 ARG 388 CZ 0.0107 0.0153 -0.0097 720 ARG 388 NH1 0.0104 0.0140 -0.0098 721 ARG 388 HH11 0.0098 0.0128 -0.0094 722 ARG 388 HH12 0.0108 0.0142 -0.0105 723 ARG 388 NH2 0.0116 0.0168 -0.0103 724 ARG 388 HH21 0.0117 0.0177 -0.0101 725 ARG 388 HH22 0.0119 0.0171 -0.0110 726 GLN 389 N 0.0114 0.0138 -0.0119 727 GLN 389 HN 0.0108 0.0139 -0.0106 728 GLN 389 CA 0.0127 0.0156 -0.0129 729 GLN 389 HA 0.0132 0.0151 -0.0145 730 GLN 389 C 0.0133 0.0163 -0.0133 731 GLN 389 O 0.0143 0.0170 -0.0149 732 GLN 389 CB 0.0132 0.0173 -0.0122 733 GLN 389 HB2 0.0142 0.0185 -0.0132 734 GLN 389 HB3 0.0130 0.0166 -0.0125 735 GLN 389 CG 0.0126 0.0184 -0.0099 736 GLN 389 HG2 0.0129 0.0194 -0.0096 737 GLN 389 HG3 0.0116 0.0173 -0.0089 738 GLN 389 CD 0.0130 0.0197 -0.0094 739 GLN 389 OE1 0.0124 0.0189 -0.0089 740 GLN 389 NE2 0.0140 0.0217 -0.0095 741 GLN 389 HE21 0.0142 0.0226 -0.0091 742 GLN 389 HE22 0.0145 0.0222 -0.0100 743 PRO 390 N 0.0127 0.0163 -0.0122 744 PRO 390 CA 0.0131 0.0166 -0.0128 745 PRO 390 HA 0.0140 0.0180 -0.0133 746 PRO 390 C 0.0133 0.0150 -0.0147 747 PRO 390 O 0.0129 0.0136 -0.0155 748 PRO 390 CB 0.0122 0.0165 -0.0109 749 PRO 390 HB2 0.0114 0.0150 -0.0108 750 PRO 390 HB3 0.0126 0.0174 -0.0109 751 PRO 390 CG 0.0118 0.0174 -0.0092 752 PRO 390 HG2 0.0125 0.0191 -0.0091 753 PRO 390 HG3 0.0109 0.0171 -0.0077 754 PRO 390 CD 0.0117 0.0165 -0.0100 755 PRO 390 HD2 0.0119 0.0175 -0.0093 756 PRO 390 HD3 0.0108 0.0150 -0.0096 757 LEU 391 N 0.0147 0.0164 -0.0165 758 LEU 391 HN 0.0147 0.0178 -0.0155 759 LEU 391 CA 0.0152 0.0154 -0.0184 760 LEU 391 HA 0.0159 0.0156 -0.0200 761 LEU 391 C 0.0145 0.0127 -0.0185 762 LEU 391 O 0.0149 0.0115 -0.0204 763 LEU 391 CB 0.0158 0.0172 -0.0186 764 LEU 391 HB2 0.0163 0.0166 -0.0203 765 LEU 391 HB3 0.0163 0.0190 -0.0188 766 LEU 391 CG 0.0151 0.0173 -0.0167 767 LEU 391 HG 0.0146 0.0155 -0.0168 768 LEU 391 CD1 0.0158 0.0191 -0.0174 769 LEU 391 HD11 0.0163 0.0210 -0.0174 770 LEU 391 HD12 0.0164 0.0186 -0.0192 771 LEU 391 HD13 0.0153 0.0192 -0.0161 772 LEU 391 CD2 0.0143 0.0180 -0.0142 773 LEU 391 HD21 0.0147 0.0198 -0.0140 774 LEU 391 HD22 0.0138 0.0182 -0.0129 775 LEU 391 HD23 0.0136 0.0166 -0.0136 776 GLU 392 N 0.0135 0.0118 -0.0166 777 GLU 392 HN 0.0132 0.0129 -0.0151 778 GLU 392 CA 0.0129 0.0094 -0.0165 779 GLU 392 HA 0.0134 0.0089 -0.0183 780 GLU 392 C 0.0122 0.0075 -0.0161 781 GLU 392 O 0.0118 0.0079 -0.0149 782 GLU 392 CB 0.0122 0.0093 -0.0148 783 GLU 392 HB2 0.0125 0.0112 -0.0143 784 GLU 392 HB3 0.0113 0.0085 -0.0132 785 GLU 392 CG 0.0122 0.0080 -0.0159 786 GLU 392 HG2 0.0118 0.0082 -0.0145 787 GLU 392 HG3 0.0131 0.0089 -0.0174 788 GLU 392 CD 0.0118 0.0053 -0.0166 789 GLU 392 OE1 0.0109 0.0038 -0.0153 790 GLU 392 OE2 0.0123 0.0046 -0.0184 791 CYS 393 N 0.0127 0.0056 -0.0162 792 CYS 393 HN 0.0130 0.0051 -0.0171 793 CYS 393 CA 0.0119 0.0040 -0.0161 794 CYS 393 HA 0.0111 0.0041 -0.0146 795 CYS 393 C 0.0114 0.0020 -0.0168 796 CYS 393 O 0.0119 0.0011 -0.0185 797 CYS 393 CB 0.0126 0.0041 -0.0172 798 CYS 393 HB2 0.0121 0.0026 -0.0175 799 CYS 393 HB3 0.0136 0.0044 -0.0187 800 CYS 393 SG 0.0128 0.0060 -0.0160 801 CYS 393 HG 0.0130 0.0074 -0.0153 802 THR 394 N 0.0103 0.0013 -0.0155 803 THR 394 HN 0.0098 0.0020 -0.0141 804 THR 394 CA 0.0098 -0.0002 -0.0160 805 THR 394 HA 0.0107 0.0002 -0.0171 806 THR 394 C 0.0093 -0.0024 -0.0168 807 THR 394 O 0.0082 -0.0038 -0.0160 808 THR 394 CB 0.0089 -0.0001 -0.0143 809 THR 394 HB 0.0079 -0.0009 -0.0132 810 THR 394 OG1 0.0093 0.0019 -0.0133 811 THR 394 HG1 0.0102 0.0026 -0.0143 812 THR 394 CG2 0.0088 -0.0012 -0.0149 813 THR 394 HG21 0.0097 -0.0004 -0.0159 814 THR 394 HG22 0.0085 -0.0028 -0.0157 815 THR 394 HG23 0.0081 -0.0012 -0.0137 816 LEU 395 N 0.0110 -0.0028 -0.0184 817 LEU 395 HN 0.0120 -0.0014 -0.0188 818 LEU 395 CA 0.0109 -0.0047 -0.0197 819 LEU 395 HA 0.0120 -0.0040 -0.0207 820 LEU 395 C 0.0096 -0.0056 -0.0187 821 LEU 395 O 0.0101 -0.0054 -0.0191 822 LEU 395 CB 0.0109 -0.0065 -0.0209 823 LEU 395 HB2 0.0118 -0.0056 -0.0216 824 LEU 395 HB3 0.0097 -0.0072 -0.0199 825 LEU 395 CG 0.0111 -0.0084 -0.0227 826 LEU 395 HG 0.0101 -0.0092 -0.0220 827 LEU 395 CD1 0.0127 -0.0076 -0.0243 828 LEU 395 HD11 0.0138 -0.0067 -0.0250 829 LEU 395 HD12 0.0129 -0.0064 -0.0236 830 LEU 395 HD13 0.0129 -0.0090 -0.0254 831 LEU 395 CD2 0.0109 -0.0101 -0.0236 832 LEU 395 HD21 0.0118 -0.0094 -0.0244 833 LEU 395 HD22 0.0110 -0.0115 -0.0248 834 LEU 395 HD23 0.0096 -0.0108 -0.0225 835 ILE 396 N 0.0080 -0.0067 -0.0174 836 ILE 396 HN 0.0078 -0.0066 -0.0169 837 ILE 396 CA 0.0067 -0.0080 -0.0165 838 ILE 396 HA 0.0071 -0.0089 -0.0177 839 ILE 396 C 0.0063 -0.0066 -0.0149 840 ILE 396 O 0.0060 -0.0071 -0.0150 841 ILE 396 CB 0.0052 -0.0099 -0.0159 842 ILE 396 HB 0.0047 -0.0091 -0.0147 843 ILE 396 CG1 0.0057 -0.0113 -0.0176 844 ILE 396 HG12 0.0061 -0.0122 -0.0189 845 ILE 396 HG13 0.0067 -0.0103 -0.0182 846 ILE 396 CG2 0.0038 -0.0113 -0.0151 847 ILE 396 HG21 0.0042 -0.0121 -0.0162 848 ILE 396 HG22 0.0034 -0.0103 -0.0138 849 ILE 396 HG23 0.0027 -0.0125 -0.0146 850 ILE 396 CD1 0.0043 -0.0131 -0.0171 851 ILE 396 HD11 0.0034 -0.0144 -0.0168 852 ILE 396 HD12 0.0037 -0.0123 -0.0157 853 ILE 396 HD13 0.0048 -0.0139 -0.0183 854 GLU 397 N 0.0059 -0.0046 -0.0132 855 GLU 397 HN 0.0060 -0.0042 -0.0131 856 GLU 397 CA 0.0058 -0.0030 -0.0118 857 GLU 397 HA 0.0050 -0.0039 -0.0111 858 GLU 397 C 0.0073 -0.0015 -0.0128 859 GLU 397 O 0.0073 -0.0003 -0.0117 860 GLU 397 CB 0.0055 -0.0016 -0.0099 861 GLU 397 HB2 0.0064 -0.0007 -0.0105 862 GLU 397 HB3 0.0055 -0.0004 -0.0089 863 GLU 397 CG 0.0039 -0.0027 -0.0085 864 GLU 397 HG2 0.0039 -0.0015 -0.0074 865 GLU 397 HG3 0.0038 -0.0039 -0.0094 866 GLU 397 CD 0.0025 -0.0038 -0.0071 867 GLU 397 OE1 0.0022 -0.0053 -0.0080 868 GLU 397 OE2 0.0016 -0.0032 -0.0052 869 ALA 398 N 0.0086 -0.0015 -0.0148 870 ALA 398 HN 0.0085 -0.0027 -0.0157 871 ALA 398 CA 0.0101 -0.0000 -0.0158 872 ALA 398 HA 0.0104 0.0015 -0.0150 873 ALA 398 C 0.0101 -0.0002 -0.0160 874 ALA 398 O 0.0097 -0.0018 -0.0169 875 ALA 398 CB 0.0113 -0.0004 -0.0180 876 ALA 398 HB1 0.0110 -0.0019 -0.0190 877 ALA 398 HB2 0.0112 -0.0003 -0.0179 878 ALA 398 HB3 0.0124 0.0009 -0.0187 879 SER 399 N 0.0096 0.0019 -0.0137 880 SER 399 HN 0.0098 0.0031 -0.0131 881 SER 399 CA 0.0096 0.0020 -0.0135 882 SER 399 HA 0.0100 0.0035 -0.0130 883 SER 399 C 0.0082 0.0010 -0.0122 884 SER 399 O 0.0081 0.0010 -0.0121 885 SER 399 CB 0.0105 0.0014 -0.0154 886 SER 399 HB2 0.0101 -0.0002 -0.0160 887 SER 399 HB3 0.0114 0.0021 -0.0164 888 SER 399 OG 0.0106 0.0018 -0.0153 889 SER 399 HG 0.0097 0.0013 -0.0143 890 LEU 400 N 0.0071 0.0000 -0.0112 891 LEU 400 HN 0.0072 0.0001 -0.0113 892 LEU 400 CA 0.0058 -0.0012 -0.0101 893 LEU 400 HA 0.0059 -0.0019 -0.0107 894 LEU 400 C 0.0050 -0.0002 -0.0081 895 LEU 400 O 0.0038 -0.0011 -0.0070 896 LEU 400 CB 0.0051 -0.0029 -0.0103 897 LEU 400 HB2 0.0058 -0.0033 -0.0117 898 LEU 400 HB3 0.0049 -0.0023 -0.0095 899 LEU 400 CG 0.0039 -0.0048 -0.0098 900 LEU 400 HG 0.0040 -0.0059 -0.0108 901 LEU 400 CD1 0.0026 -0.0050 -0.0080 902 LEU 400 HD11 0.0024 -0.0039 -0.0069 903 LEU 400 HD12 0.0027 -0.0046 -0.0079 904 LEU 400 HD13 0.0018 -0.0064 -0.0078 905 LEU 400 CD2 0.0037 -0.0055 -0.0101 906 LEU 400 HD21 0.0036 -0.0045 -0.0092 907 LEU 400 HD22 0.0029 -0.0069 -0.0099 908 LEU 400 HD23 0.0046 -0.0055 -0.0115 909 VAL 401 N 0.0049 0.0014 -0.0082 910 VAL 401 HN 0.0058 0.0020 -0.0091 911 VAL 401 CA 0.0046 0.0027 -0.0066 912 VAL 401 HA 0.0042 0.0028 -0.0060 913 VAL 401 C 0.0035 0.0020 -0.0056 914 VAL 401 O 0.0026 0.0020 -0.0042 915 VAL 401 CB 0.0057 0.0045 -0.0067 916 VAL 401 HB 0.0059 0.0045 -0.0070 917 VAL 401 CG1 0.0069 0.0050 -0.0081 918 VAL 401 HG11 0.0068 0.0049 -0.0079 919 VAL 401 HG12 0.0077 0.0063 -0.0080 920 VAL 401 HG13 0.0073 0.0042 -0.0093 921 VAL 401 CG2 0.0054 0.0058 -0.0050 922 VAL 401 HG21 0.0053 0.0059 -0.0047 923 VAL 401 HG22 0.0046 0.0055 -0.0041 924 VAL 401 HG23 0.0062 0.0071 -0.0051 925 ASP 402 N 0.0037 0.0015 -0.0063 926 ASP 402 HN 0.0045 0.0017 -0.0074 927 ASP 402 CA 0.0028 0.0008 -0.0056 928 ASP 402 HA 0.0026 0.0017 -0.0045 929 ASP 402 C 0.0015 -0.0008 -0.0051 930 ASP 402 O 0.0007 -0.0011 -0.0041 931 ASP 402 CB 0.0034 0.0004 -0.0068 932 ASP 402 HB2 0.0027 -0.0002 -0.0063 933 ASP 402 HB3 0.0037 -0.0003 -0.0080 934 ASP 402 CG 0.0045 0.0021 -0.0070 935 ASP 402 OD1 0.0055 0.0028 -0.0079 936 ASP 402 OD2 0.0043 0.0027 -0.0061 937 LYS 403 N 0.0024 -0.0011 -0.0042 938 LYS 403 HN 0.0030 -0.0010 -0.0048 939 LYS 403 CA 0.0014 -0.0023 -0.0036 940 LYS 403 HA 0.0010 -0.0025 -0.0033 941 LYS 403 C 0.0007 -0.0018 -0.0026 942 LYS 403 O -0.0002 -0.0022 -0.0016 943 LYS 403 CB 0.0016 -0.0037 -0.0046 944 LYS 403 HB2 0.0022 -0.0038 -0.0054 945 LYS 403 HB3 0.0018 -0.0036 -0.0049 946 LYS 403 CG 0.0006 -0.0051 -0.0042 947 LYS 403 HG2 -0.0001 -0.0050 -0.0033 948 LYS 403 HG3 0.0004 -0.0052 -0.0040 949 LYS 403 CD 0.0008 -0.0064 -0.0052 950 LYS 403 HD2 0.0010 -0.0063 -0.0053 951 LYS 403 HD3 0.0016 -0.0064 -0.0061 952 LYS 403 CE -0.0000 -0.0079 -0.0049 953 LYS 403 HE2 -0.0008 -0.0078 -0.0039 954 LYS 403 HE3 0.0001 -0.0087 -0.0055 955 LYS 403 NZ -0.0001 -0.0084 -0.0051 956 LYS 403 HZ1 -0.0002 -0.0077 -0.0046 957 LYS 403 HZ2 -0.0007 -0.0094 -0.0049 958 LYS 403 HZ3 0.0006 -0.0086 -0.0060 959 ILE 404 N 0.0012 -0.0011 -0.0027 960 ILE 404 HN 0.0020 -0.0009 -0.0035 961 ILE 404 CA 0.0008 -0.0004 -0.0019 962 ILE 404 HA 0.0001 -0.0013 -0.0015 963 ILE 404 C 0.0003 0.0007 -0.0007 964 ILE 404 O -0.0006 0.0006 0.0003 965 ILE 404 CB 0.0015 0.0003 -0.0024 966 ILE 404 HB 0.0022 0.0012 -0.0027 967 ILE 404 CG1 0.0021 -0.0008 -0.0036 968 ILE 404 HG12 0.0015 -0.0017 -0.0034 969 ILE 404 HG13 0.0024 -0.0013 -0.0042 970 ILE 404 CG2 0.0010 0.0008 -0.0015 971 ILE 404 HG21 0.0004 -0.0001 -0.0013 972 ILE 404 HG22 0.0007 0.0016 -0.0007 973 ILE 404 HG23 0.0016 0.0014 -0.0019 974 ILE 404 CD1 0.0030 -0.0001 -0.0044 975 ILE 404 HD11 0.0028 0.0003 -0.0039 976 ILE 404 HD12 0.0036 0.0009 -0.0046 977 ILE 404 HD13 0.0034 -0.0009 -0.0053 978 PHE 405 N 0.0004 0.0021 -0.0005 979 PHE 405 HN 0.0009 0.0022 -0.0014 980 PHE 405 CA 0.0003 0.0030 0.0005 981 PHE 405 HA -0.0001 0.0031 0.0014 982 PHE 405 C -0.0002 0.0025 0.0009 983 PHE 405 O -0.0004 0.0030 0.0018 984 PHE 405 CB 0.0011 0.0043 0.0002 985 PHE 405 HB2 0.0016 0.0042 -0.0007 986 PHE 405 HB3 0.0011 0.0049 0.0010 987 PHE 405 CG 0.0015 0.0049 0.0002 988 PHE 405 CD1 0.0014 0.0057 0.0012 989 PHE 405 HD1 0.0010 0.0059 0.0021 990 PHE 405 CD2 0.0020 0.0047 -0.0010 991 PHE 405 HD2 0.0020 0.0040 -0.0018 992 PHE 405 CE1 0.0017 0.0063 0.0011 993 PHE 405 HE1 0.0016 0.0069 0.0019 994 PHE 405 CE2 0.0023 0.0052 -0.0011 995 PHE 405 HE2 0.0026 0.0049 -0.0020 996 PHE 405 CZ 0.0021 0.0060 -0.0000 997 PHE 405 HZ 0.0024 0.0064 -0.0001 998 TYR 406 N -0.0003 0.0014 0.0001 999 TYR 406 HN -0.0001 0.0010 -0.0006 1000 TYR 406 CA -0.0008 0.0006 0.0003 1001 TYR 406 HA -0.0006 0.0001 -0.0006 1002 TYR 406 C -0.0005 0.0014 0.0005 1003 TYR 406 O 0.0002 0.0018 -0.0004 1004 TYR 406 CB -0.0018 -0.0004 0.0011 1005 TYR 406 HB2 -0.0021 -0.0007 0.0014 1006 TYR 406 HB3 -0.0019 -0.0013 0.0004 1007 TYR 406 CG -0.0022 -0.0003 0.0022 1008 TYR 406 CD1 -0.0020 -0.0000 0.0020 1009 TYR 406 HD1 -0.0015 0.0001 0.0011 1010 TYR 406 CD2 -0.0030 -0.0006 0.0033 1011 TYR 406 HD2 -0.0032 -0.0008 0.0035 1012 TYR 406 CE1 -0.0025 0.0000 0.0030 1013 TYR 406 HE1 -0.0023 0.0003 0.0028 1014 TYR 406 CE2 -0.0035 -0.0006 0.0043 1015 TYR 406 HE2 -0.0041 -0.0009 0.0051 1016 TYR 406 CZ -0.0032 -0.0003 0.0041 1017 TYR 406 OH -0.0037 -0.0002 0.0051 1018 TYR 406 HH -0.0041 -0.0002 0.0059 1019 ARG 407 N -0.0016 0.0017 0.0025 1020 ARG 407 HN -0.0021 0.0014 0.0030 1021 ARG 407 CA -0.0013 0.0024 0.0028 1022 ARG 407 HA -0.0008 0.0029 0.0023 1023 ARG 407 C -0.0015 0.0031 0.0038 1024 ARG 407 O -0.0020 0.0030 0.0045 1025 ARG 407 CB -0.0015 0.0021 0.0027 1026 ARG 407 HB2 -0.0020 0.0015 0.0031 1027 ARG 407 HB3 -0.0014 0.0027 0.0032 1028 ARG 407 CG -0.0011 0.0017 0.0017 1029 ARG 407 HG2 -0.0013 0.0014 0.0017 1030 ARG 407 HG3 -0.0011 0.0012 0.0013 1031 ARG 407 CD -0.0003 0.0026 0.0012 1032 ARG 407 HD2 -0.0001 0.0030 0.0012 1033 ARG 407 HD3 -0.0002 0.0030 0.0015 1034 ARG 407 NE 0.0001 0.0021 0.0001 1035 ARG 407 HE 0.0001 0.0020 -0.0001 1036 ARG 407 CZ 0.0005 0.0021 -0.0006 1037 ARG 407 NH1 0.0005 0.0022 -0.0005 1038 ARG 407 HH11 0.0000 0.0020 0.0001 1039 ARG 407 HH12 0.0008 0.0022 -0.0011 1040 ARG 407 NH2 0.0010 0.0020 -0.0015 1041 ARG 407 HH21 0.0011 0.0022 -0.0017 1042 ARG 407 HH22 0.0013 0.0021 -0.0020 1043 ILE 408 N -0.0011 0.0038 0.0038 1044 ILE 408 HN -0.0008 0.0037 0.0032 1045 ILE 408 CA -0.0011 0.0046 0.0046 1046 ILE 408 HA -0.0016 0.0044 0.0052 1047 ILE 408 C -0.0006 0.0056 0.0046 1048 ILE 408 O -0.0008 0.0061 0.0055 1049 ILE 408 CB -0.0011 0.0047 0.0047 1050 ILE 408 HB -0.0015 0.0039 0.0045 1051 ILE 408 CG1 -0.0015 0.0052 0.0057 1052 ILE 408 HG12 -0.0011 0.0060 0.0058 1053 ILE 408 HG13 -0.0019 0.0050 0.0062 1054 ILE 408 CG2 -0.0004 0.0051 0.0039 1055 ILE 408 HG21 -0.0000 0.0058 0.0039 1056 ILE 408 HG22 -0.0003 0.0046 0.0031 1057 ILE 408 HG23 -0.0005 0.0050 0.0039 1058 ILE 408 CD1 -0.0017 0.0050 0.0059 1059 ILE 408 HD11 -0.0013 0.0051 0.0054 1060 ILE 408 HD12 -0.0022 0.0042 0.0059 1061 ILE 408 HD13 -0.0019 0.0054 0.0067 1062 PRO 409 N -0.0008 0.0052 0.0039 1063 PRO 409 CA -0.0003 0.0058 0.0041 1064 PRO 409 HA -0.0000 0.0063 0.0045 1065 PRO 409 C -0.0007 0.0056 0.0048 1066 PRO 409 O -0.0004 0.0061 0.0054 1067 PRO 409 CB 0.0000 0.0059 0.0031 1068 PRO 409 HB2 -0.0002 0.0056 0.0029 1069 PRO 409 HB3 0.0005 0.0066 0.0032 1070 PRO 409 CG 0.0000 0.0057 0.0024 1071 PRO 409 HG2 0.0004 0.0062 0.0025 1072 PRO 409 HG3 0.0001 0.0056 0.0017 1073 PRO 409 CD -0.0006 0.0050 0.0028 1074 PRO 409 HD2 -0.0006 0.0049 0.0026 1075 PRO 409 HD3 -0.0010 0.0045 0.0025 1076 GLU 410 N -0.0012 0.0049 0.0047 1077 GLU 410 HN -0.0014 0.0045 0.0040 1078 GLU 410 CA -0.0016 0.0045 0.0054 1079 GLU 410 HA -0.0014 0.0049 0.0054 1080 GLU 410 C -0.0018 0.0046 0.0064 1081 GLU 410 O -0.0017 0.0049 0.0071 1082 GLU 410 CB -0.0023 0.0037 0.0051 1083 GLU 410 HB2 -0.0027 0.0034 0.0057 1084 GLU 410 HB3 -0.0022 0.0037 0.0051 1085 GLU 410 CG -0.0024 0.0032 0.0042 1086 GLU 410 HG2 -0.0029 0.0026 0.0040 1087 GLU 410 HG3 -0.0025 0.0032 0.0042 1088 GLU 410 CD -0.0019 0.0036 0.0033 1089 GLU 410 OE1 -0.0018 0.0036 0.0030 1090 GLU 410 OE2 -0.0016 0.0039 0.0029 1091 ILE 411 N -0.0025 0.0042 0.0062 1092 ILE 411 HN -0.0025 0.0041 0.0059 1093 ILE 411 CA -0.0024 0.0043 0.0068 1094 ILE 411 HA -0.0026 0.0040 0.0071 1095 ILE 411 C -0.0022 0.0048 0.0071 1096 ILE 411 O -0.0022 0.0049 0.0076 1097 ILE 411 CB -0.0025 0.0041 0.0069 1098 ILE 411 HB -0.0024 0.0044 0.0066 1099 ILE 411 CG1 -0.0028 0.0035 0.0067 1100 ILE 411 HG12 -0.0029 0.0032 0.0070 1101 ILE 411 HG13 -0.0028 0.0035 0.0062 1102 ILE 411 CG2 -0.0025 0.0042 0.0076 1103 ILE 411 HG21 -0.0026 0.0039 0.0079 1104 ILE 411 HG22 -0.0023 0.0046 0.0078 1105 ILE 411 HG23 -0.0025 0.0041 0.0077 1106 ILE 411 CD1 -0.0029 0.0033 0.0067 1107 ILE 411 HD11 -0.0029 0.0033 0.0072 1108 ILE 411 HD12 -0.0027 0.0037 0.0064 1109 ILE 411 HD13 -0.0031 0.0029 0.0065 1110 LEU 412 N -0.0020 0.0053 0.0068 1111 LEU 412 HN -0.0020 0.0053 0.0064 1112 LEU 412 CA -0.0017 0.0059 0.0069 1113 LEU 412 HA -0.0016 0.0060 0.0073 1114 LEU 412 C -0.0017 0.0059 0.0070 1115 LEU 412 O -0.0016 0.0061 0.0075 1116 LEU 412 CB -0.0015 0.0063 0.0064 1117 LEU 412 HB2 -0.0015 0.0063 0.0065 1118 LEU 412 HB3 -0.0016 0.0062 0.0059 1119 LEU 412 CG -0.0012 0.0069 0.0065 1120 LEU 412 HG -0.0011 0.0072 0.0062 1121 LEU 412 CD1 -0.0011 0.0071 0.0062 1122 LEU 412 HD11 -0.0012 0.0070 0.0065 1123 LEU 412 HD12 -0.0012 0.0069 0.0057 1124 LEU 412 HD13 -0.0009 0.0076 0.0061 1125 LEU 412 CD2 -0.0011 0.0072 0.0071 1126 LEU 412 HD21 -0.0012 0.0069 0.0075 1127 LEU 412 HD22 -0.0009 0.0076 0.0071 1128 LEU 412 HD23 -0.0011 0.0072 0.0073 1129 ALA 413 N -0.0021 0.0049 0.0076 1130 ALA 413 HN -0.0023 0.0050 0.0073 1131 ALA 413 CA -0.0022 0.0048 0.0078 1132 ALA 413 HA -0.0020 0.0050 0.0078 1133 ALA 413 C -0.0023 0.0045 0.0082 1134 ALA 413 O -0.0021 0.0045 0.0085 1135 ALA 413 CB -0.0025 0.0047 0.0074 1136 ALA 413 HB1 -0.0027 0.0046 0.0074 1137 ALA 413 HB2 -0.0024 0.0049 0.0072 1138 ALA 413 HB3 -0.0025 0.0046 0.0076 1139 HIS 414 N -0.0026 0.0043 0.0082 1140 HIS 414 HN -0.0027 0.0043 0.0079 1141 HIS 414 CA -0.0027 0.0040 0.0085 1142 HIS 414 HA -0.0028 0.0039 0.0086 1143 HIS 414 C -0.0024 0.0041 0.0089 1144 HIS 414 O -0.0024 0.0039 0.0092 1145 HIS 414 CB -0.0029 0.0039 0.0084 1146 HIS 414 HB2 -0.0028 0.0041 0.0082 1147 HIS 414 HB3 -0.0032 0.0038 0.0081 1148 HIS 414 CG -0.0030 0.0036 0.0087 1149 HIS 414 ND1 -0.0033 0.0034 0.0086 1150 HIS 414 HD1 -0.0035 0.0033 0.0084 1151 HIS 414 CD2 -0.0028 0.0036 0.0090 1152 HIS 414 HD2 -0.0025 0.0038 0.0091 1153 HIS 414 CE1 -0.0033 0.0032 0.0089 1154 HIS 414 HE1 -0.0035 0.0030 0.0090 1155 HIS 414 NE2 -0.0030 0.0034 0.0092 1156 HIS 414 HE2 -0.0029 0.0033 0.0094 1157 HIS 415 N -0.0031 0.0037 0.0087 1158 HIS 415 HN -0.0032 0.0040 0.0084 1159 HIS 415 CA -0.0026 0.0037 0.0090 1160 HIS 415 HA -0.0026 0.0034 0.0093 1161 HIS 415 C -0.0023 0.0037 0.0092 1162 HIS 415 O -0.0021 0.0034 0.0095 1163 HIS 415 CB -0.0022 0.0041 0.0089 1164 HIS 415 HB2 -0.0018 0.0040 0.0092 1165 HIS 415 HB3 -0.0022 0.0044 0.0086 1166 HIS 415 CG -0.0025 0.0040 0.0088 1167 HIS 415 ND1 -0.0027 0.0036 0.0091 1168 HIS 415 CD2 -0.0027 0.0043 0.0085 1169 HIS 415 HD2 -0.0026 0.0047 0.0082 1170 HIS 415 CE1 -0.0029 0.0037 0.0089 1171 HIS 415 HE1 -0.0030 0.0034 0.0090 1172 HIS 415 NE2 -0.0029 0.0041 0.0085 1173 HIS 415 HE2 -0.0030 0.0043 0.0083 1174 GLN 416 N -0.0022 0.0041 0.0089 1175 GLN 416 HN -0.0024 0.0044 0.0086 1176 GLN 416 CA -0.0020 0.0042 0.0090 1177 GLN 416 HA -0.0016 0.0043 0.0091 1178 GLN 416 C -0.0022 0.0038 0.0092 1179 GLN 416 O -0.0018 0.0036 0.0095 1180 GLN 416 CB -0.0021 0.0047 0.0085 1181 GLN 416 HB2 -0.0020 0.0049 0.0083 1182 GLN 416 HB3 -0.0025 0.0046 0.0084 1183 GLN 416 CG -0.0017 0.0049 0.0085 1184 GLN 416 HG2 -0.0014 0.0052 0.0085 1185 GLN 416 HG3 -0.0015 0.0046 0.0089 1186 GLN 416 CD -0.0020 0.0050 0.0083 1187 GLN 416 OE1 -0.0023 0.0047 0.0083 1188 GLN 416 NE2 -0.0019 0.0055 0.0079 1189 GLN 416 HE21 -0.0022 0.0056 0.0077 1190 GLN 416 HE22 -0.0016 0.0057 0.0079 1191 VAL 417 N -0.0022 0.0028 0.0098 1192 VAL 417 HN -0.0025 0.0031 0.0096 1193 VAL 417 CA -0.0025 0.0025 0.0102 1194 VAL 417 HA -0.0021 0.0024 0.0103 1195 VAL 417 C -0.0026 0.0023 0.0105 1196 VAL 417 O -0.0024 0.0020 0.0108 1197 VAL 417 CB -0.0029 0.0026 0.0102 1198 VAL 417 HB -0.0033 0.0027 0.0101 1199 VAL 417 CG1 -0.0028 0.0028 0.0099 1200 VAL 417 HG11 -0.0025 0.0027 0.0100 1201 VAL 417 HG12 -0.0032 0.0029 0.0099 1202 VAL 417 HG13 -0.0028 0.0031 0.0096 1203 VAL 417 CG2 -0.0031 0.0023 0.0106 1204 VAL 417 HG21 -0.0028 0.0021 0.0107 1205 VAL 417 HG22 -0.0032 0.0021 0.0109 1206 VAL 417 HG23 -0.0034 0.0023 0.0106 1207 LEU 418 N -0.0029 0.0025 0.0104 1208 LEU 418 HN -0.0030 0.0027 0.0101 1209 LEU 418 CA -0.0031 0.0023 0.0106 1210 LEU 418 HA -0.0030 0.0020 0.0109 1211 LEU 418 C -0.0028 0.0023 0.0106 1212 LEU 418 O -0.0025 0.0020 0.0108 1213 LEU 418 CB -0.0037 0.0024 0.0106 1214 LEU 418 HB2 -0.0039 0.0024 0.0106 1215 LEU 418 HB3 -0.0038 0.0027 0.0103 1216 LEU 418 CG -0.0040 0.0022 0.0109 1217 LEU 418 HG -0.0044 0.0023 0.0109 1218 LEU 418 CD1 -0.0039 0.0021 0.0109 1219 LEU 418 HD11 -0.0035 0.0020 0.0110 1220 LEU 418 HD12 -0.0039 0.0024 0.0106 1221 LEU 418 HD13 -0.0042 0.0020 0.0112 1222 LEU 418 CD2 -0.0040 0.0018 0.0114 1223 LEU 418 HD21 -0.0036 0.0017 0.0115 1224 LEU 418 HD22 -0.0043 0.0017 0.0116 1225 LEU 418 HD23 -0.0041 0.0018 0.0114 1226 LEU 419 N -0.0034 0.0026 0.0105 1227 LEU 419 HN -0.0035 0.0028 0.0106 1228 LEU 419 CA -0.0032 0.0027 0.0102 1229 LEU 419 HA -0.0032 0.0027 0.0103 1230 LEU 419 C -0.0029 0.0024 0.0100 1231 LEU 419 O -0.0028 0.0023 0.0099 1232 LEU 419 CB -0.0032 0.0031 0.0101 1233 LEU 419 HB2 -0.0034 0.0033 0.0103 1234 LEU 419 HB3 -0.0031 0.0031 0.0100 1235 LEU 419 CG -0.0030 0.0034 0.0098 1236 LEU 419 HG -0.0031 0.0036 0.0098 1237 LEU 419 CD1 -0.0028 0.0032 0.0095 1238 LEU 419 HD11 -0.0027 0.0030 0.0095 1239 LEU 419 HD12 -0.0027 0.0032 0.0094 1240 LEU 419 HD13 -0.0027 0.0034 0.0093 1241 LEU 419 CD2 -0.0031 0.0034 0.0099 1242 LEU 419 HD21 -0.0031 0.0032 0.0100 1243 LEU 419 HD22 -0.0031 0.0037 0.0097 1244 LEU 419 HD23 -0.0033 0.0036 0.0101 1245 THR 420 N -0.0029 0.0023 0.0100 1246 THR 420 HN -0.0030 0.0024 0.0101 1247 THR 420 CA -0.0026 0.0020 0.0098 1248 THR 420 HA -0.0025 0.0021 0.0095 1249 THR 420 C -0.0026 0.0016 0.0099 1250 THR 420 O -0.0024 0.0015 0.0097 1251 THR 420 CB -0.0026 0.0019 0.0097 1252 THR 420 HB -0.0027 0.0018 0.0100 1253 THR 420 OG1 -0.0026 0.0023 0.0097 1254 THR 420 HG1 -0.0026 0.0025 0.0095 1255 THR 420 CG2 -0.0023 0.0017 0.0095 1256 THR 420 HG21 -0.0022 0.0018 0.0093 1257 THR 420 HG22 -0.0023 0.0014 0.0095 1258 THR 420 HG23 -0.0023 0.0017 0.0095 1259 THR 421 N -0.0025 0.0005 0.0101 1260 THR 421 HN -0.0028 0.0006 0.0102 1261 THR 421 CA -0.0025 0.0001 0.0104 1262 THR 421 HA -0.0022 -0.0002 0.0103 1263 THR 421 C -0.0026 0.0001 0.0105 1264 THR 421 O -0.0023 -0.0003 0.0105 1265 THR 421 CB -0.0027 -0.0001 0.0109 1266 THR 421 HB -0.0026 -0.0005 0.0111 1267 THR 421 OG1 -0.0031 0.0001 0.0112 1268 THR 421 HG1 -0.0033 0.0003 0.0112 1269 THR 421 CG2 -0.0026 -0.0002 0.0109 1270 THR 421 HG21 -0.0028 0.0001 0.0108 1271 THR 421 HG22 -0.0023 -0.0004 0.0107 1272 THR 421 HG23 -0.0028 -0.0004 0.0113 1273 LEU 422 N -0.0029 0.0005 0.0105 1274 LEU 422 HN -0.0031 0.0007 0.0105 1275 LEU 422 CA -0.0030 0.0006 0.0105 1276 LEU 422 HA -0.0030 0.0004 0.0108 1277 LEU 422 C -0.0026 0.0006 0.0100 1278 LEU 422 O -0.0025 0.0004 0.0101 1279 LEU 422 CB -0.0034 0.0011 0.0106 1280 LEU 422 HB2 -0.0034 0.0013 0.0104 1281 LEU 422 HB3 -0.0034 0.0013 0.0104 1282 LEU 422 CG -0.0037 0.0011 0.0111 1283 LEU 422 HG -0.0040 0.0014 0.0111 1284 LEU 422 CD1 -0.0038 0.0009 0.0113 1285 LEU 422 HD11 -0.0035 0.0005 0.0113 1286 LEU 422 HD12 -0.0038 0.0011 0.0111 1287 LEU 422 HD13 -0.0040 0.0009 0.0117 1288 LEU 422 CD2 -0.0038 0.0008 0.0114 1289 LEU 422 HD21 -0.0035 0.0004 0.0114 1290 LEU 422 HD22 -0.0041 0.0008 0.0118 1291 LEU 422 HD23 -0.0038 0.0010 0.0113 1292 SER 423 N -0.0034 0.0004 0.0091 1293 SER 423 HN -0.0036 0.0007 0.0093 1294 SER 423 CA -0.0028 0.0004 0.0085 1295 SER 423 HA -0.0026 0.0006 0.0083 1296 SER 423 C -0.0025 -0.0003 0.0082 1297 SER 423 O -0.0021 -0.0005 0.0078 1298 SER 423 CB -0.0027 0.0011 0.0083 1299 SER 423 HB2 -0.0022 0.0011 0.0079 1300 SER 423 HB3 -0.0029 0.0010 0.0085 1301 SER 423 OG -0.0028 0.0018 0.0084 1302 SER 423 HG -0.0030 0.0021 0.0085 1303 GLN 424 N -0.0027 -0.0008 0.0085 1304 GLN 424 HN -0.0031 -0.0006 0.0089 1305 GLN 424 CA -0.0026 -0.0016 0.0084 1306 GLN 424 HA -0.0022 -0.0016 0.0080 1307 GLN 424 C -0.0024 -0.0021 0.0083 1308 GLN 424 O -0.0020 -0.0025 0.0079 1309 GLN 424 CB -0.0029 -0.0020 0.0088 1310 GLN 424 HB2 -0.0033 -0.0020 0.0092 1311 GLN 424 HB3 -0.0028 -0.0026 0.0087 1312 GLN 424 CG -0.0030 -0.0017 0.0088 1313 GLN 424 HG2 -0.0030 -0.0011 0.0088 1314 GLN 424 HG3 -0.0026 -0.0019 0.0084 1315 GLN 424 CD -0.0034 -0.0020 0.0093 1316 GLN 424 OE1 -0.0037 -0.0025 0.0097 1317 GLN 424 NE2 -0.0035 -0.0017 0.0094 1318 GLN 424 HE21 -0.0038 -0.0019 0.0097 1319 GLN 424 HE22 -0.0033 -0.0013 0.0091 1320 ARG 425 N -0.0029 -0.0033 0.0088 1321 ARG 425 HN -0.0030 -0.0031 0.0093 1322 ARG 425 CA -0.0029 -0.0034 0.0088 1323 ARG 425 HA -0.0028 -0.0040 0.0089 1324 ARG 425 C -0.0027 -0.0030 0.0080 1325 ARG 425 O -0.0026 -0.0033 0.0078 1326 ARG 425 CB -0.0031 -0.0028 0.0096 1327 ARG 425 HB2 -0.0031 -0.0021 0.0094 1328 ARG 425 HB3 -0.0031 -0.0030 0.0096 1329 ARG 425 CG -0.0032 -0.0030 0.0105 1330 ARG 425 HG2 -0.0033 -0.0027 0.0104 1331 ARG 425 HG3 -0.0032 -0.0037 0.0106 1332 ARG 425 CD -0.0034 -0.0026 0.0112 1333 ARG 425 HD2 -0.0034 -0.0020 0.0110 1334 ARG 425 HD3 -0.0036 -0.0023 0.0117 1335 ARG 425 NE -0.0035 -0.0032 0.0116 1336 ARG 425 HE -0.0034 -0.0032 0.0115 1337 ARG 425 CZ -0.0035 -0.0038 0.0122 1338 ARG 425 NH1 -0.0036 -0.0040 0.0124 1339 ARG 425 HH11 -0.0036 -0.0036 0.0121 1340 ARG 425 HH12 -0.0036 -0.0044 0.0128 1341 ARG 425 NH2 -0.0036 -0.0043 0.0125 1342 ARG 425 HH21 -0.0036 -0.0042 0.0124 1343 ARG 425 HH22 -0.0036 -0.0047 0.0130 1344 ILE 426 N -0.0027 -0.0023 0.0076 1345 ILE 426 HN -0.0027 -0.0022 0.0078 1346 ILE 426 CA -0.0026 -0.0018 0.0069 1347 ILE 426 HA -0.0025 -0.0020 0.0068 1348 ILE 426 C -0.0024 -0.0020 0.0061 1349 ILE 426 O -0.0023 -0.0014 0.0056 1350 ILE 426 CB -0.0027 -0.0008 0.0071 1351 ILE 426 HB -0.0026 -0.0005 0.0065 1352 ILE 426 CG1 -0.0028 -0.0006 0.0074 1353 ILE 426 HG12 -0.0029 -0.0007 0.0081 1354 ILE 426 HG13 -0.0027 -0.0009 0.0071 1355 ILE 426 CG2 -0.0028 -0.0006 0.0077 1356 ILE 426 HG21 -0.0030 -0.0009 0.0083 1357 ILE 426 HG22 -0.0028 -0.0008 0.0074 1358 ILE 426 HG23 -0.0029 0.0001 0.0078 1359 ILE 426 CD1 -0.0028 0.0004 0.0073 1360 ILE 426 HD11 -0.0029 0.0008 0.0076 1361 ILE 426 HD12 -0.0027 0.0005 0.0066 1362 ILE 426 HD13 -0.0029 0.0005 0.0075 1363 ASP 427 N -0.0030 -0.0036 0.0052 1364 ASP 427 HN -0.0036 -0.0044 0.0057 1365 ASP 427 CA -0.0024 -0.0038 0.0041 1366 ASP 427 HA -0.0021 -0.0028 0.0040 1367 ASP 427 C -0.0018 -0.0044 0.0028 1368 ASP 427 O -0.0011 -0.0035 0.0021 1369 ASP 427 CB -0.0030 -0.0049 0.0045 1370 ASP 427 HB2 -0.0033 -0.0060 0.0045 1371 ASP 427 HB3 -0.0034 -0.0045 0.0055 1372 ASP 427 CG -0.0024 -0.0049 0.0036 1373 ASP 427 OD1 -0.0017 -0.0051 0.0023 1374 ASP 427 OD2 -0.0027 -0.0048 0.0041 1375 GLN 428 N -0.0020 -0.0058 0.0025 1376 GLN 428 HN -0.0026 -0.0065 0.0031 1377 GLN 428 CA -0.0015 -0.0067 0.0012 1378 GLN 428 HA -0.0011 -0.0065 0.0007 1379 GLN 428 C -0.0009 -0.0064 0.0004 1380 GLN 428 O -0.0010 -0.0058 0.0008 1381 GLN 428 CB -0.0020 -0.0084 0.0013 1382 GLN 428 HB2 -0.0016 -0.0090 0.0003 1383 GLN 428 HB3 -0.0023 -0.0087 0.0017 1384 GLN 428 CG -0.0027 -0.0090 0.0022 1385 GLN 428 HG2 -0.0029 -0.0101 0.0018 1386 GLN 428 HG3 -0.0025 -0.0084 0.0021 1387 GLN 428 CD -0.0036 -0.0089 0.0036 1388 GLN 428 OE1 -0.0042 -0.0100 0.0040 1389 GLN 428 NE2 -0.0038 -0.0077 0.0045 1390 GLN 428 HE21 -0.0043 -0.0077 0.0054 1391 GLN 428 HE22 -0.0033 -0.0068 0.0041 1392 TRP 429 N -0.0007 -0.0089 -0.0015 1393 TRP 429 HN -0.0004 -0.0092 -0.0019 1394 TRP 429 CA -0.0002 -0.0091 -0.0023 1395 TRP 429 HA 0.0004 -0.0091 -0.0031 1396 TRP 429 C 0.0000 -0.0079 -0.0024 1397 TRP 429 O 0.0007 -0.0076 -0.0034 1398 TRP 429 CB -0.0003 -0.0105 -0.0022 1399 TRP 429 HB2 0.0001 -0.0106 -0.0029 1400 TRP 429 HB3 -0.0002 -0.0113 -0.0024 1401 TRP 429 CG -0.0011 -0.0109 -0.0010 1402 TRP 429 CD1 -0.0014 -0.0103 -0.0005 1403 TRP 429 HD1 -0.0012 -0.0095 -0.0007 1404 TRP 429 CD2 -0.0016 -0.0121 -0.0004 1405 TRP 429 NE1 -0.0021 -0.0111 0.0005 1406 TRP 429 HE1 -0.0024 -0.0109 0.0010 1407 TRP 429 CE2 -0.0022 -0.0121 0.0006 1408 TRP 429 CE3 -0.0015 -0.0131 -0.0005 1409 TRP 429 HE3 -0.0010 -0.0131 -0.0013 1410 TRP 429 CZ2 -0.0028 -0.0132 0.0014 1411 TRP 429 HZ2 -0.0033 -0.0132 0.0021 1412 TRP 429 CZ3 -0.0021 -0.0141 0.0003 1413 TRP 429 HZ3 -0.0021 -0.0149 0.0002 1414 TRP 429 CH2 -0.0028 -0.0142 0.0012 1415 TRP 429 HH2 -0.0032 -0.0150 0.0019 1416 HIS 430 N -0.0006 -0.0071 -0.0015 1417 HIS 430 HN -0.0011 -0.0074 -0.0007 1418 HIS 430 CA -0.0005 -0.0060 -0.0015 1419 HIS 430 HA 0.0000 -0.0053 -0.0022 1420 HIS 430 C -0.0011 -0.0049 -0.0004 1421 HIS 430 O -0.0011 -0.0040 -0.0004 1422 HIS 430 CB -0.0004 -0.0065 -0.0017 1423 HIS 430 HB2 -0.0008 -0.0062 -0.0010 1424 HIS 430 HB3 -0.0004 -0.0077 -0.0018 1425 HIS 430 CG 0.0004 -0.0060 -0.0028 1426 HIS 430 ND1 0.0011 -0.0063 -0.0039 1427 HIS 430 HD1 0.0011 -0.0068 -0.0040 1428 HIS 430 CD2 0.0006 -0.0052 -0.0030 1429 HIS 430 HD2 0.0002 -0.0048 -0.0024 1430 HIS 430 CE1 0.0016 -0.0057 -0.0047 1431 HIS 430 HE1 0.0022 -0.0057 -0.0056 1432 HIS 430 NE2 0.0013 -0.0050 -0.0042 1433 HIS 430 HE2 0.0016 -0.0044 -0.0046 1434 LYS 431 N -0.0018 -0.0031 0.0020 1435 LYS 431 HN -0.0019 -0.0040 0.0018 1436 LYS 431 CA -0.0020 -0.0025 0.0032 1437 LYS 431 HA -0.0020 -0.0021 0.0035 1438 LYS 431 C -0.0019 -0.0015 0.0032 1439 LYS 431 O -0.0020 -0.0005 0.0038 1440 LYS 431 CB -0.0023 -0.0036 0.0041 1441 LYS 431 HB2 -0.0023 -0.0042 0.0037 1442 LYS 431 HB3 -0.0024 -0.0031 0.0050 1443 LYS 431 CG -0.0025 -0.0044 0.0045 1444 LYS 431 HG2 -0.0026 -0.0039 0.0052 1445 LYS 431 HG3 -0.0023 -0.0045 0.0037 1446 LYS 431 CD -0.0027 -0.0057 0.0049 1447 LYS 431 HD2 -0.0028 -0.0057 0.0055 1448 LYS 431 HD3 -0.0025 -0.0063 0.0041 1449 LYS 431 CE -0.0029 -0.0065 0.0056 1450 LYS 431 HE2 -0.0029 -0.0075 0.0056 1451 LYS 431 HE3 -0.0028 -0.0064 0.0052 1452 LYS 431 NZ -0.0031 -0.0061 0.0069 1453 LYS 431 HZ1 -0.0032 -0.0061 0.0073 1454 LYS 431 HZ2 -0.0033 -0.0067 0.0074 1455 LYS 431 HZ3 -0.0030 -0.0052 0.0070 1456 ASP 432 N -0.0018 -0.0017 0.0024 1457 ASP 432 HN -0.0018 -0.0025 0.0020 1458 ASP 432 CA -0.0016 -0.0007 0.0020 1459 ASP 432 HA -0.0018 -0.0007 0.0027 1460 ASP 432 C -0.0015 0.0007 0.0019 1461 ASP 432 O -0.0015 0.0016 0.0024 1462 ASP 432 CB -0.0014 -0.0012 0.0007 1463 ASP 432 HB2 -0.0015 -0.0021 0.0008 1464 ASP 432 HB3 -0.0013 -0.0005 0.0004 1465 ASP 432 CG -0.0012 -0.0014 -0.0003 1466 ASP 432 OD1 -0.0012 -0.0012 -0.0002 1467 ASP 432 OD2 -0.0010 -0.0018 -0.0014 1468 ALA 433 N -0.0015 0.0009 0.0013 1469 ALA 433 HN -0.0013 -0.0000 0.0007 1470 ALA 433 CA -0.0014 0.0020 0.0012 1471 ALA 433 HA -0.0012 0.0028 0.0006 1472 ALA 433 C -0.0018 0.0028 0.0026 1473 ALA 433 O -0.0018 0.0040 0.0026 1474 ALA 433 CB -0.0013 0.0016 0.0006 1475 ALA 433 HB1 -0.0015 0.0008 0.0012 1476 ALA 433 HB2 -0.0010 0.0011 -0.0004 1477 ALA 433 HB3 -0.0012 0.0025 0.0005 1478 ILE 434 N -0.0021 0.0020 0.0037 1479 ILE 434 HN -0.0021 0.0009 0.0036 1480 ILE 434 CA -0.0025 0.0025 0.0051 1481 ILE 434 HA -0.0025 0.0035 0.0050 1482 ILE 434 C -0.0027 0.0024 0.0059 1483 ILE 434 O -0.0030 0.0025 0.0071 1484 ILE 434 CB -0.0027 0.0017 0.0058 1485 ILE 434 HB -0.0030 0.0022 0.0069 1486 ILE 434 CG1 -0.0028 0.0001 0.0060 1487 ILE 434 HG12 -0.0025 -0.0004 0.0049 1488 ILE 434 HG13 -0.0029 -0.0001 0.0063 1489 ILE 434 CG2 -0.0025 0.0021 0.0052 1490 ILE 434 HG21 -0.0022 0.0017 0.0042 1491 ILE 434 HG22 -0.0025 0.0033 0.0052 1492 ILE 434 HG23 -0.0027 0.0017 0.0058 1493 ILE 434 CD1 -0.0030 -0.0006 0.0069 1494 ILE 434 HD11 -0.0029 -0.0005 0.0065 1495 ILE 434 HD12 -0.0033 -0.0002 0.0079 1496 ILE 434 HD13 -0.0030 -0.0017 0.0070 1497 LEU 435 N -0.0026 0.0027 0.0055 1498 LEU 435 HN -0.0023 0.0026 0.0048 1499 LEU 435 CA -0.0028 0.0028 0.0061 1500 LEU 435 HA -0.0030 0.0022 0.0066 1501 LEU 435 C -0.0029 0.0038 0.0067 1502 LEU 435 O -0.0030 0.0039 0.0072 1503 LEU 435 CB -0.0026 0.0023 0.0055 1504 LEU 435 HB2 -0.0028 0.0018 0.0060 1505 LEU 435 HB3 -0.0025 0.0018 0.0049 1506 LEU 435 CG -0.0024 0.0031 0.0051 1507 LEU 435 HG -0.0026 0.0034 0.0057 1508 LEU 435 CD1 -0.0023 0.0024 0.0044 1509 LEU 435 HD11 -0.0021 0.0021 0.0038 1510 LEU 435 HD12 -0.0025 0.0018 0.0049 1511 LEU 435 HD13 -0.0021 0.0029 0.0042 1512 LEU 435 CD2 -0.0021 0.0040 0.0045 1513 LEU 435 HD21 -0.0019 0.0037 0.0038 1514 LEU 435 HD22 -0.0020 0.0045 0.0043 1515 LEU 435 HD23 -0.0022 0.0045 0.0050 1516 GLY 436 N -0.0028 0.0045 0.0067 1517 GLY 436 HN -0.0027 0.0044 0.0063 1518 GLY 436 CA -0.0029 0.0055 0.0073 1519 GLY 436 HA2 -0.0029 0.0057 0.0074 1520 GLY 436 HA3 -0.0027 0.0061 0.0069 1521 GLY 436 C -0.0032 0.0055 0.0083 1522 GLY 436 O -0.0034 0.0061 0.0090 1523 ASP 437 N -0.0034 0.0050 0.0085 1524 ASP 437 HN -0.0033 0.0047 0.0082 1525 ASP 437 CA -0.0035 0.0049 0.0094 1526 ASP 437 HA -0.0037 0.0055 0.0096 1527 ASP 437 C -0.0035 0.0046 0.0099 1528 ASP 437 O -0.0037 0.0049 0.0105 1529 ASP 437 CB -0.0035 0.0045 0.0095 1530 ASP 437 HB2 -0.0036 0.0045 0.0101 1531 ASP 437 HB3 -0.0033 0.0039 0.0093 1532 ASP 437 CG -0.0035 0.0050 0.0090 1533 ASP 437 OD1 -0.0033 0.0048 0.0083 1534 ASP 437 OD2 -0.0036 0.0055 0.0094 1535 VAL 438 N -0.0034 0.0039 0.0097 1536 VAL 438 HN -0.0032 0.0036 0.0092 1537 VAL 438 CA -0.0034 0.0035 0.0100 1538 VAL 438 HA -0.0034 0.0034 0.0107 1539 VAL 438 C -0.0035 0.0041 0.0101 1540 VAL 438 O -0.0036 0.0040 0.0107 1541 VAL 438 CB -0.0031 0.0027 0.0097 1542 VAL 438 HB -0.0032 0.0025 0.0101 1543 VAL 438 CG1 -0.0030 0.0028 0.0088 1544 VAL 438 HG11 -0.0030 0.0030 0.0084 1545 VAL 438 HG12 -0.0029 0.0022 0.0086 1546 VAL 438 HG13 -0.0031 0.0032 0.0087 1547 VAL 438 CG2 -0.0030 0.0021 0.0097 1548 VAL 438 HG21 -0.0030 0.0022 0.0094 1549 VAL 438 HG22 -0.0031 0.0020 0.0104 1550 VAL 438 HG23 -0.0029 0.0015 0.0095 1551 LEU 439 N -0.0031 0.0049 0.0096 1552 LEU 439 HN -0.0032 0.0050 0.0092 1553 LEU 439 CA -0.0032 0.0053 0.0095 1554 LEU 439 HA -0.0032 0.0050 0.0097 1555 LEU 439 C -0.0034 0.0059 0.0099 1556 LEU 439 O -0.0034 0.0060 0.0104 1557 LEU 439 CB -0.0033 0.0054 0.0087 1558 LEU 439 HB2 -0.0033 0.0050 0.0084 1559 LEU 439 HB3 -0.0035 0.0059 0.0085 1560 LEU 439 CG -0.0034 0.0055 0.0084 1561 LEU 439 HG -0.0034 0.0055 0.0079 1562 LEU 439 CD1 -0.0035 0.0061 0.0087 1563 LEU 439 HD11 -0.0035 0.0062 0.0092 1564 LEU 439 HD12 -0.0036 0.0066 0.0085 1565 LEU 439 HD13 -0.0036 0.0062 0.0084 1566 LEU 439 CD2 -0.0032 0.0048 0.0086 1567 LEU 439 HD21 -0.0032 0.0048 0.0091 1568 LEU 439 HD22 -0.0032 0.0049 0.0083 1569 LEU 439 HD23 -0.0031 0.0044 0.0084 1570 LEU 440 N -0.0035 0.0064 0.0099 1571 LEU 440 HN -0.0035 0.0063 0.0095 1572 LEU 440 CA -0.0036 0.0070 0.0103 1573 LEU 440 HA -0.0037 0.0073 0.0102 1574 LEU 440 C -0.0035 0.0069 0.0111 1575 LEU 440 O -0.0036 0.0073 0.0114 1576 LEU 440 CB -0.0037 0.0075 0.0100 1577 LEU 440 HB2 -0.0038 0.0080 0.0102 1578 LEU 440 HB3 -0.0038 0.0074 0.0095 1579 LEU 440 CG -0.0037 0.0073 0.0103 1580 LEU 440 HG -0.0035 0.0068 0.0104 1581 LEU 440 CD1 -0.0037 0.0077 0.0110 1582 LEU 440 HD11 -0.0038 0.0082 0.0110 1583 LEU 440 HD12 -0.0036 0.0075 0.0114 1584 LEU 440 HD13 -0.0036 0.0075 0.0112 1585 LEU 440 CD2 -0.0038 0.0075 0.0098 1586 LEU 440 HD21 -0.0039 0.0081 0.0097 1587 LEU 440 HD22 -0.0037 0.0074 0.0100 1588 LEU 440 HD23 -0.0037 0.0073 0.0093 1589 ALA 441 N -0.0039 0.0058 0.0106 1590 ALA 441 HN -0.0038 0.0056 0.0104 1591 ALA 441 CA -0.0038 0.0057 0.0112 1592 ALA 441 HA -0.0040 0.0061 0.0115 1593 ALA 441 C -0.0037 0.0055 0.0114 1594 ALA 441 O -0.0037 0.0054 0.0119 1595 ALA 441 CB -0.0036 0.0053 0.0114 1596 ALA 441 HB1 -0.0035 0.0049 0.0111 1597 ALA 441 HB2 -0.0037 0.0054 0.0113 1598 ALA 441 HB3 -0.0036 0.0052 0.0119 1599 HIS 442 N -0.0037 0.0053 0.0109 1600 HIS 442 HN -0.0037 0.0054 0.0105 1601 HIS 442 CA -0.0036 0.0051 0.0111 1602 HIS 442 HA -0.0036 0.0052 0.0115 1603 HIS 442 C -0.0038 0.0055 0.0108 1604 HIS 442 O -0.0037 0.0053 0.0107 1605 HIS 442 CB -0.0033 0.0045 0.0109 1606 HIS 442 HB2 -0.0032 0.0043 0.0110 1607 HIS 442 HB3 -0.0033 0.0044 0.0104 1608 HIS 442 CG -0.0032 0.0041 0.0112 1609 HIS 442 ND1 -0.0032 0.0042 0.0117 1610 HIS 442 HD1 -0.0033 0.0045 0.0120 1611 HIS 442 CD2 -0.0030 0.0037 0.0109 1612 HIS 442 HD2 -0.0030 0.0036 0.0104 1613 HIS 442 CE1 -0.0030 0.0039 0.0118 1614 HIS 442 HE1 -0.0030 0.0039 0.0122 1615 HIS 442 NE2 -0.0029 0.0036 0.0113 1616 HIS 442 HE2 -0.0028 0.0034 0.0112 1617 PHE 443 N -0.0034 0.0058 0.0101 1618 PHE 443 HN -0.0036 0.0061 0.0104 1619 PHE 443 CA -0.0039 0.0058 0.0097 1620 PHE 443 HA -0.0039 0.0057 0.0093 1621 PHE 443 C -0.0037 0.0056 0.0095 1622 PHE 443 O -0.0036 0.0053 0.0091 1623 PHE 443 CB -0.0044 0.0063 0.0098 1624 PHE 443 HB2 -0.0048 0.0063 0.0094 1625 PHE 443 HB3 -0.0046 0.0064 0.0099 1626 PHE 443 CG -0.0045 0.0066 0.0103 1627 PHE 443 CD1 -0.0042 0.0068 0.0109 1628 PHE 443 HD1 -0.0039 0.0067 0.0110 1629 PHE 443 CD2 -0.0048 0.0068 0.0102 1630 PHE 443 HD2 -0.0051 0.0066 0.0098 1631 PHE 443 CE1 -0.0042 0.0070 0.0113 1632 PHE 443 HE1 -0.0040 0.0072 0.0118 1633 PHE 443 CE2 -0.0049 0.0070 0.0107 1634 PHE 443 HE2 -0.0051 0.0071 0.0106 1635 PHE 443 CZ -0.0046 0.0072 0.0112 1636 PHE 443 HZ -0.0046 0.0074 0.0116 1637 SER 444 N -0.0036 0.0058 0.0099 1638 SER 444 HN -0.0037 0.0061 0.0103 1639 SER 444 CA -0.0034 0.0056 0.0099 1640 SER 444 HA -0.0036 0.0056 0.0095 1641 SER 444 C -0.0027 0.0052 0.0098 1642 SER 444 O -0.0025 0.0051 0.0097 1643 SER 444 CB -0.0034 0.0060 0.0103 1644 SER 444 HB2 -0.0031 0.0060 0.0108 1645 SER 444 HB3 -0.0039 0.0063 0.0104 1646 SER 444 OG -0.0033 0.0058 0.0102 1647 SER 444 HG -0.0030 0.0055 0.0101 1648 LYS 445 N -0.0037 0.0045 0.0098 1649 LYS 445 HN -0.0037 0.0045 0.0100 1650 LYS 445 CA -0.0032 0.0043 0.0097 1651 LYS 445 HA -0.0032 0.0043 0.0096 1652 LYS 445 C -0.0031 0.0043 0.0091 1653 LYS 445 O -0.0028 0.0041 0.0089 1654 LYS 445 CB -0.0028 0.0042 0.0100 1655 LYS 445 HB2 -0.0028 0.0042 0.0101 1656 LYS 445 HB3 -0.0025 0.0041 0.0099 1657 LYS 445 CG -0.0028 0.0043 0.0105 1658 LYS 445 HG2 -0.0032 0.0044 0.0107 1659 LYS 445 HG3 -0.0025 0.0042 0.0108 1660 LYS 445 CD -0.0028 0.0043 0.0106 1661 LYS 445 HD2 -0.0031 0.0044 0.0103 1662 LYS 445 HD3 -0.0025 0.0041 0.0104 1663 LYS 445 CE -0.0028 0.0043 0.0111 1664 LYS 445 HE2 -0.0025 0.0042 0.0113 1665 LYS 445 HE3 -0.0031 0.0044 0.0113 1666 LYS 445 NZ -0.0028 0.0043 0.0111 1667 LYS 445 HZ1 -0.0025 0.0042 0.0109 1668 LYS 445 HZ2 -0.0028 0.0043 0.0114 1669 LYS 445 HZ3 -0.0031 0.0044 0.0109 1670 GLN 446 N -0.0034 0.0044 0.0090 1671 GLN 446 HN -0.0037 0.0045 0.0092 1672 GLN 446 CA -0.0034 0.0043 0.0085 1673 GLN 446 HA -0.0031 0.0042 0.0084 1674 GLN 446 C -0.0037 0.0044 0.0081 1675 GLN 446 O -0.0035 0.0043 0.0077 1676 GLN 446 CB -0.0037 0.0044 0.0084 1677 GLN 446 HB2 -0.0035 0.0044 0.0088 1678 GLN 446 HB3 -0.0040 0.0045 0.0085 1679 GLN 446 CG -0.0036 0.0043 0.0080 1680 GLN 446 HG2 -0.0032 0.0042 0.0079 1681 GLN 446 HG3 -0.0037 0.0044 0.0076 1682 GLN 446 CD -0.0037 0.0044 0.0080 1683 GLN 446 OE1 -0.0041 0.0045 0.0077 1684 GLN 446 NE2 -0.0035 0.0043 0.0083 1685 GLN 446 HE21 -0.0037 0.0044 0.0083 1686 GLN 446 HE22 -0.0033 0.0043 0.0085 1687 SER 447 N -0.0036 0.0031 0.0069 1688 SER 447 HN -0.0036 0.0033 0.0071 1689 SER 447 CA -0.0035 0.0027 0.0067 1690 SER 447 HA -0.0038 0.0026 0.0067 1691 SER 447 C -0.0032 0.0025 0.0065 1692 SER 447 O -0.0033 0.0022 0.0064 1693 SER 447 CB -0.0034 0.0028 0.0068 1694 SER 447 HB2 -0.0034 0.0026 0.0066 1695 SER 447 HB3 -0.0031 0.0030 0.0068 1696 SER 447 OG -0.0037 0.0030 0.0069 1697 SER 447 HG -0.0039 0.0028 0.0069 1698 MET 448 N -0.0029 0.0027 0.0065 1699 MET 448 HN -0.0029 0.0029 0.0066 1700 MET 448 CA -0.0027 0.0024 0.0063 1701 MET 448 HA -0.0026 0.0023 0.0062 1702 MET 448 C -0.0030 0.0022 0.0063 1703 MET 448 O -0.0029 0.0019 0.0061 1704 MET 448 CB -0.0024 0.0027 0.0064 1705 MET 448 HB2 -0.0022 0.0028 0.0064 1706 MET 448 HB3 -0.0022 0.0025 0.0062 1707 MET 448 CG -0.0026 0.0030 0.0066 1708 MET 448 HG2 -0.0028 0.0028 0.0065 1709 MET 448 HG3 -0.0028 0.0031 0.0067 1710 MET 448 SD -0.0022 0.0033 0.0066 1711 MET 448 CE -0.0019 0.0035 0.0067 1712 MET 448 HE1 -0.0017 0.0037 0.0067 1713 MET 448 HE2 -0.0021 0.0036 0.0068 1714 MET 448 HE3 -0.0018 0.0033 0.0065 1715 ILE 449 N -0.0030 0.0024 0.0059 1716 ILE 449 HN -0.0031 0.0027 0.0062 1717 ILE 449 CA -0.0034 0.0020 0.0062 1718 ILE 449 HA -0.0031 0.0021 0.0060 1719 ILE 449 C -0.0036 0.0012 0.0061 1720 ILE 449 O -0.0036 0.0008 0.0060 1721 ILE 449 CB -0.0038 0.0024 0.0069 1722 ILE 449 HB -0.0040 0.0023 0.0072 1723 ILE 449 CG1 -0.0035 0.0033 0.0071 1724 ILE 449 HG12 -0.0038 0.0034 0.0075 1725 ILE 449 HG13 -0.0032 0.0034 0.0067 1726 ILE 449 CG2 -0.0041 0.0020 0.0072 1727 ILE 449 HG21 -0.0038 0.0020 0.0069 1728 ILE 449 HG22 -0.0043 0.0014 0.0072 1729 ILE 449 HG23 -0.0044 0.0023 0.0077 1730 ILE 449 CD1 -0.0034 0.0038 0.0071 1731 ILE 449 HD11 -0.0037 0.0037 0.0075 1732 ILE 449 HD12 -0.0031 0.0037 0.0067 1733 ILE 449 HD13 -0.0033 0.0044 0.0073 1734 GLU 450 N -0.0037 0.0009 0.0061 1735 GLU 450 HN -0.0037 0.0012 0.0062 1736 GLU 450 CA -0.0037 0.0001 0.0058 1737 GLU 450 HA -0.0041 -0.0003 0.0061 1738 GLU 450 C -0.0033 -0.0002 0.0052 1739 GLU 450 O -0.0035 -0.0008 0.0051 1740 GLU 450 CB -0.0038 -0.0001 0.0058 1741 GLU 450 HB2 -0.0040 0.0002 0.0062 1742 GLU 450 HB3 -0.0034 0.0002 0.0054 1743 GLU 450 CG -0.0040 -0.0009 0.0057 1744 GLU 450 HG2 -0.0044 -0.0011 0.0061 1745 GLU 450 HG3 -0.0038 -0.0012 0.0053 1746 GLU 450 CD -0.0039 -0.0010 0.0056 1747 GLU 450 OE1 -0.0041 -0.0006 0.0060 1748 GLU 450 OE2 -0.0037 -0.0014 0.0050 1749 THR 451 N -0.0035 -0.0008 0.0050 1750 THR 451 HN -0.0034 -0.0003 0.0051 1751 THR 451 CA -0.0030 -0.0009 0.0043 1752 THR 451 HA -0.0031 -0.0016 0.0040 1753 THR 451 C -0.0030 -0.0008 0.0043 1754 THR 451 O -0.0029 -0.0014 0.0039 1755 THR 451 CB -0.0024 -0.0003 0.0037 1756 THR 451 HB -0.0023 0.0004 0.0039 1757 THR 451 OG1 -0.0025 -0.0002 0.0038 1758 THR 451 HG1 -0.0026 -0.0007 0.0037 1759 THR 451 CG2 -0.0020 -0.0007 0.0029 1760 THR 451 HG21 -0.0021 -0.0013 0.0027 1761 THR 451 HG22 -0.0019 -0.0008 0.0028 1762 THR 451 HG23 -0.0016 -0.0002 0.0025 1763 TYR 452 N -0.0031 -0.0001 0.0048 1764 TYR 452 HN -0.0031 0.0004 0.0051 1765 TYR 452 CA -0.0032 0.0001 0.0050 1766 TYR 452 HA -0.0028 0.0002 0.0045 1767 TYR 452 C -0.0037 -0.0006 0.0053 1768 TYR 452 O -0.0035 -0.0010 0.0049 1769 TYR 452 CB -0.0033 0.0011 0.0056 1770 TYR 452 HB2 -0.0029 0.0016 0.0053 1771 TYR 452 HB3 -0.0037 0.0010 0.0061 1772 TYR 452 CG -0.0032 0.0014 0.0057 1773 TYR 452 CD1 -0.0027 0.0020 0.0052 1774 TYR 452 HD1 -0.0023 0.0021 0.0047 1775 TYR 452 CD2 -0.0037 0.0013 0.0063 1776 TYR 452 HD2 -0.0041 0.0009 0.0067 1777 TYR 452 CE1 -0.0027 0.0023 0.0054 1778 TYR 452 HE1 -0.0023 0.0028 0.0050 1779 TYR 452 CE2 -0.0037 0.0016 0.0065 1780 TYR 452 HE2 -0.0041 0.0015 0.0070 1781 TYR 452 CZ -0.0032 0.0022 0.0060 1782 TYR 452 OH -0.0032 0.0026 0.0061 1783 TYR 452 HH -0.0035 0.0023 0.0065 1784 ILE 453 N -0.0042 -0.0013 0.0051 1785 ILE 453 HN -0.0043 -0.0009 0.0053 1786 ILE 453 CA -0.0046 -0.0019 0.0053 1787 ILE 453 HA -0.0047 -0.0018 0.0055 1788 ILE 453 C -0.0045 -0.0027 0.0048 1789 ILE 453 O -0.0046 -0.0032 0.0048 1790 ILE 453 CB -0.0052 -0.0020 0.0060 1791 ILE 453 HB -0.0053 -0.0015 0.0063 1792 ILE 453 CG1 -0.0057 -0.0027 0.0063 1793 ILE 453 HG12 -0.0061 -0.0027 0.0068 1794 ILE 453 HG13 -0.0056 -0.0033 0.0060 1795 ILE 453 CG2 -0.0052 -0.0022 0.0059 1796 ILE 453 HG21 -0.0051 -0.0028 0.0056 1797 ILE 453 HG22 -0.0049 -0.0017 0.0057 1798 ILE 453 HG23 -0.0056 -0.0022 0.0064 1799 ILE 453 CD1 -0.0058 -0.0027 0.0064 1800 ILE 453 HD11 -0.0058 -0.0021 0.0067 1801 ILE 453 HD12 -0.0054 -0.0028 0.0060 1802 ILE 453 HD13 -0.0061 -0.0031 0.0067 1803 SER 454 N -0.0041 -0.0029 0.0044 1804 SER 454 HN -0.0041 -0.0025 0.0045 1805 SER 454 CA -0.0039 -0.0035 0.0039 1806 SER 454 HA -0.0042 -0.0040 0.0041 1807 SER 454 C -0.0036 -0.0037 0.0034 1808 SER 454 O -0.0036 -0.0043 0.0032 1809 SER 454 CB -0.0035 -0.0035 0.0035 1810 SER 454 HB2 -0.0037 -0.0032 0.0038 1811 SER 454 HB3 -0.0036 -0.0041 0.0033 1812 SER 454 OG -0.0030 -0.0031 0.0029 1813 SER 454 HG -0.0029 -0.0025 0.0031 1814 PHE 455 N -0.0040 -0.0039 0.0034 1815 PHE 455 HN -0.0040 -0.0032 0.0038 1816 PHE 455 CA -0.0035 -0.0040 0.0028 1817 PHE 455 HA -0.0034 -0.0046 0.0023 1818 PHE 455 C -0.0037 -0.0040 0.0030 1819 PHE 455 O -0.0033 -0.0041 0.0025 1820 PHE 455 CB -0.0027 -0.0031 0.0024 1821 PHE 455 HB2 -0.0027 -0.0025 0.0029 1822 PHE 455 HB3 -0.0023 -0.0031 0.0020 1823 PHE 455 CG -0.0022 -0.0033 0.0019 1824 PHE 455 CD1 -0.0020 -0.0040 0.0012 1825 PHE 455 HD1 -0.0021 -0.0045 0.0010 1826 PHE 455 CD2 -0.0020 -0.0026 0.0021 1827 PHE 455 HD2 -0.0022 -0.0020 0.0027 1828 PHE 455 CE1 -0.0016 -0.0041 0.0007 1829 PHE 455 HE1 -0.0014 -0.0047 0.0001 1830 PHE 455 CE2 -0.0016 -0.0026 0.0016 1831 PHE 455 HE2 -0.0015 -0.0021 0.0018 1832 PHE 455 CZ -0.0014 -0.0034 0.0009 1833 PHE 455 HZ -0.0011 -0.0035 0.0005 1834 VAL 456 N -0.0043 -0.0039 0.0038 1835 VAL 456 HN -0.0047 -0.0039 0.0042 1836 VAL 456 CA -0.0046 -0.0038 0.0041 1837 VAL 456 HA -0.0042 -0.0032 0.0041 1838 VAL 456 C -0.0046 -0.0046 0.0036 1839 VAL 456 O -0.0041 -0.0044 0.0033 1840 VAL 456 CB -0.0054 -0.0037 0.0050 1841 VAL 456 HB -0.0058 -0.0043 0.0051 1842 VAL 456 CG1 -0.0053 -0.0028 0.0055 1843 VAL 456 HG11 -0.0049 -0.0022 0.0055 1844 VAL 456 HG12 -0.0058 -0.0027 0.0062 1845 VAL 456 HG13 -0.0051 -0.0027 0.0053 1846 VAL 456 CG2 -0.0057 -0.0038 0.0054 1847 VAL 456 HG21 -0.0053 -0.0032 0.0053 1848 VAL 456 HG22 -0.0058 -0.0045 0.0051 1849 VAL 456 HG23 -0.0062 -0.0037 0.0060 1850 ASP 457 N -0.0056 -0.0068 0.0030 1851 ASP 457 HN -0.0061 -0.0070 0.0034 1852 ASP 457 CA -0.0055 -0.0080 0.0025 1853 ASP 457 HA -0.0059 -0.0080 0.0028 1854 ASP 457 C -0.0044 -0.0080 0.0015 1855 ASP 457 O -0.0042 -0.0083 0.0011 1856 ASP 457 CB -0.0061 -0.0091 0.0024 1857 ASP 457 HB2 -0.0061 -0.0099 0.0020 1858 ASP 457 HB3 -0.0057 -0.0090 0.0021 1859 ASP 457 CG -0.0072 -0.0091 0.0034 1860 ASP 457 OD1 -0.0078 -0.0100 0.0036 1861 ASP 457 OD2 -0.0073 -0.0082 0.0039 1862 ASN 458 N -0.0037 -0.0076 0.0010 1863 ASN 458 HN -0.0040 -0.0074 0.0014 1864 ASN 458 CA -0.0027 -0.0076 0.0001 1865 ASN 458 HA -0.0026 -0.0085 -0.0003 1866 ASN 458 C -0.0021 -0.0068 -0.0001 1867 ASN 458 O -0.0015 -0.0072 -0.0008 1868 ASN 458 CB -0.0022 -0.0072 -0.0001 1869 ASN 458 HB2 -0.0014 -0.0072 -0.0009 1870 ASN 458 HB3 -0.0021 -0.0062 0.0003 1871 ASN 458 CG -0.0028 -0.0079 0.0000 1872 ASN 458 OD1 -0.0032 -0.0075 0.0006 1873 ASN 458 ND2 -0.0028 -0.0091 -0.0005 1874 ASN 458 HD21 -0.0033 -0.0096 -0.0003 1875 ASN 458 HD22 -0.0022 -0.0094 -0.0011 1876 PHE 459 N -0.0028 -0.0058 -0.0001 1877 PHE 459 HN -0.0032 -0.0056 0.0007 1878 PHE 459 CA -0.0023 -0.0046 0.0001 1879 PHE 459 HA -0.0014 -0.0044 -0.0009 1880 PHE 459 C -0.0027 -0.0051 0.0003 1881 PHE 459 O -0.0021 -0.0050 -0.0004 1882 PHE 459 CB -0.0022 -0.0031 0.0011 1883 PHE 459 HB2 -0.0014 -0.0023 0.0005 1884 PHE 459 HB3 -0.0026 -0.0033 0.0015 1885 PHE 459 CG -0.0027 -0.0025 0.0023 1886 PHE 459 CD1 -0.0022 -0.0018 0.0021 1887 PHE 459 HD1 -0.0015 -0.0016 0.0011 1888 PHE 459 CD2 -0.0038 -0.0026 0.0036 1889 PHE 459 HD2 -0.0041 -0.0031 0.0038 1890 PHE 459 CE1 -0.0028 -0.0014 0.0031 1891 PHE 459 HE1 -0.0024 -0.0008 0.0030 1892 PHE 459 CE2 -0.0043 -0.0022 0.0046 1893 PHE 459 HE2 -0.0051 -0.0023 0.0056 1894 PHE 459 CZ -0.0038 -0.0016 0.0044 1895 PHE 459 HZ -0.0042 -0.0012 0.0052 1896 LYS 460 N -0.0038 -0.0056 0.0014 1897 LYS 460 HN -0.0043 -0.0058 0.0020 1898 LYS 460 CA -0.0044 -0.0060 0.0020 1899 LYS 460 HA -0.0040 -0.0049 0.0022 1900 LYS 460 C -0.0042 -0.0071 0.0010 1901 LYS 460 O -0.0039 -0.0068 0.0008 1902 LYS 460 CB -0.0056 -0.0064 0.0033 1903 LYS 460 HB2 -0.0056 -0.0057 0.0039 1904 LYS 460 HB3 -0.0060 -0.0076 0.0031 1905 LYS 460 CG -0.0061 -0.0061 0.0043 1906 LYS 460 HG2 -0.0061 -0.0068 0.0038 1907 LYS 460 HG3 -0.0056 -0.0049 0.0044 1908 LYS 460 CD -0.0073 -0.0064 0.0057 1909 LYS 460 HD2 -0.0078 -0.0076 0.0056 1910 LYS 460 HD3 -0.0073 -0.0062 0.0059 1911 LYS 460 CE -0.0076 -0.0054 0.0069 1912 LYS 460 HE2 -0.0074 -0.0054 0.0066 1913 LYS 460 HE3 -0.0085 -0.0058 0.0078 1914 LYS 460 NZ -0.0070 -0.0039 0.0072 1915 LYS 460 HZ1 -0.0062 -0.0035 0.0063 1916 LYS 460 HZ2 -0.0070 -0.0030 0.0078 1917 LYS 460 HZ3 -0.0073 -0.0037 0.0077 1918 PHE 461 N -0.0050 -0.0096 -0.0003 1919 PHE 461 HN -0.0051 -0.0098 -0.0001 1920 PHE 461 CA -0.0046 -0.0110 -0.0013 1921 PHE 461 HA -0.0052 -0.0115 -0.0008 1922 PHE 461 C -0.0033 -0.0104 -0.0026 1923 PHE 461 O -0.0031 -0.0110 -0.0031 1924 PHE 461 CB -0.0047 -0.0127 -0.0019 1925 PHE 461 HB2 -0.0044 -0.0122 -0.0021 1926 PHE 461 HB3 -0.0042 -0.0135 -0.0029 1927 PHE 461 CG -0.0061 -0.0138 -0.0007 1928 PHE 461 CD1 -0.0068 -0.0139 0.0000 1929 PHE 461 HD1 -0.0063 -0.0132 -0.0002 1930 PHE 461 CD2 -0.0067 -0.0147 -0.0005 1931 PHE 461 HD2 -0.0062 -0.0147 -0.0010 1932 PHE 461 CE1 -0.0080 -0.0149 0.0010 1933 PHE 461 HE1 -0.0085 -0.0150 0.0016 1934 PHE 461 CE2 -0.0079 -0.0158 0.0006 1935 PHE 461 HE2 -0.0084 -0.0165 0.0008 1936 PHE 461 CZ -0.0086 -0.0159 0.0013 1937 PHE 461 HZ -0.0095 -0.0166 0.0021 1938 ALA 462 N -0.0023 -0.0092 -0.0032 1939 ALA 462 HN -0.0025 -0.0087 -0.0028 1940 ALA 462 CA -0.0011 -0.0083 -0.0043 1941 ALA 462 HA -0.0007 -0.0094 -0.0053 1942 ALA 462 C -0.0011 -0.0075 -0.0040 1943 ALA 462 O -0.0007 -0.0081 -0.0047 1944 ALA 462 CB -0.0003 -0.0070 -0.0048 1945 ALA 462 HB1 -0.0006 -0.0059 -0.0039 1946 ALA 462 HB2 -0.0003 -0.0077 -0.0051 1947 ALA 462 HB3 0.0007 -0.0066 -0.0057 1948 LYS 463 N -0.0013 -0.0065 -0.0030 1949 LYS 463 HN -0.0017 -0.0060 -0.0021 1950 LYS 463 CA -0.0012 -0.0056 -0.0024 1951 LYS 463 HA -0.0001 -0.0048 -0.0033 1952 LYS 463 C -0.0019 -0.0072 -0.0027 1953 LYS 463 O -0.0012 -0.0072 -0.0036 1954 LYS 463 CB -0.0020 -0.0042 -0.0006 1955 LYS 463 HB2 -0.0033 -0.0051 0.0003 1956 LYS 463 HB3 -0.0019 -0.0037 -0.0004 1957 LYS 463 CG -0.0015 -0.0025 -0.0000 1958 LYS 463 HG2 -0.0003 -0.0019 -0.0011 1959 LYS 463 HG3 -0.0020 -0.0030 0.0003 1960 LYS 463 CD -0.0019 -0.0008 0.0015 1961 LYS 463 HD2 -0.0016 0.0003 0.0020 1962 LYS 463 HD3 -0.0011 -0.0001 0.0011 1963 LYS 463 CE -0.0035 -0.0014 0.0031 1964 LYS 463 HE2 -0.0036 -0.0000 0.0042 1965 LYS 463 HE3 -0.0036 -0.0020 0.0027 1966 LYS 463 NZ -0.0047 -0.0027 0.0036 1967 LYS 463 HZ1 -0.0044 -0.0025 0.0033 1968 LYS 463 HZ2 -0.0057 -0.0025 0.0049 1969 LYS 463 HZ3 -0.0050 -0.0041 0.0029 1970 ALA 464 N -0.0034 -0.0085 -0.0019 1971 ALA 464 HN -0.0039 -0.0085 -0.0012 1972 ALA 464 CA -0.0042 -0.0102 -0.0021 1973 ALA 464 HA -0.0044 -0.0096 -0.0015 1974 ALA 464 C -0.0032 -0.0113 -0.0039 1975 ALA 464 O -0.0030 -0.0115 -0.0044 1976 ALA 464 CB -0.0057 -0.0115 -0.0011 1977 ALA 464 HB1 -0.0056 -0.0121 -0.0017 1978 ALA 464 HB2 -0.0064 -0.0106 0.0002 1979 ALA 464 HB3 -0.0064 -0.0127 -0.0012 1980 SER 465 N -0.0032 -0.0126 -0.0055 1981 SER 465 HN -0.0034 -0.0124 -0.0051 1982 SER 465 CA -0.0022 -0.0137 -0.0074 1983 SER 465 HA -0.0029 -0.0152 -0.0074 1984 SER 465 C -0.0008 -0.0126 -0.0084 1985 SER 465 O -0.0007 -0.0136 -0.0091 1986 SER 465 CB -0.0016 -0.0143 -0.0084 1987 SER 465 HB2 -0.0026 -0.0150 -0.0076 1988 SER 465 HB3 -0.0011 -0.0155 -0.0097 1989 SER 465 OG -0.0004 -0.0126 -0.0088 1990 SER 465 HG -0.0008 -0.0114 -0.0077 1991 ILE 466 N 0.0002 -0.0106 -0.0084 1992 ILE 466 HN -0.0000 -0.0099 -0.0078 1993 ILE 466 CA 0.0016 -0.0094 -0.0094 1994 ILE 466 HA 0.0021 -0.0106 -0.0107 1995 ILE 466 C 0.0012 -0.0089 -0.0087 1996 ILE 466 O 0.0018 -0.0094 -0.0097 1997 ILE 466 CB 0.0029 -0.0076 -0.0100 1998 ILE 466 HB 0.0040 -0.0077 -0.0114 1999 ILE 466 CG1 0.0031 -0.0053 -0.0089 2000 ILE 466 HG12 0.0032 -0.0051 -0.0088 2001 ILE 466 HG13 0.0043 -0.0042 -0.0097 2002 ILE 466 CG2 0.0030 -0.0080 -0.0103 2003 ILE 466 HG21 0.0021 -0.0077 -0.0090 2004 ILE 466 HG22 0.0028 -0.0097 -0.0111 2005 ILE 466 HG23 0.0041 -0.0070 -0.0111 2006 ILE 466 CD1 0.0020 -0.0045 -0.0070 2007 ILE 466 HD11 0.0008 -0.0054 -0.0061 2008 ILE 466 HD12 0.0018 -0.0047 -0.0070 2009 ILE 466 HD13 0.0023 -0.0028 -0.0064 2010 ILE 467 N 0.0000 -0.0085 -0.0070 2011 ILE 467 HN -0.0006 -0.0081 -0.0060 2012 ILE 467 CA -0.0006 -0.0080 -0.0060 2013 ILE 467 HA 0.0008 -0.0068 -0.0068 2014 ILE 467 C -0.0014 -0.0104 -0.0065 2015 ILE 467 O -0.0008 -0.0103 -0.0071 2016 ILE 467 CB -0.0018 -0.0064 -0.0035 2017 ILE 467 HB -0.0032 -0.0076 -0.0027 2018 ILE 467 CG1 -0.0009 -0.0039 -0.0031 2019 ILE 467 HG12 -0.0008 -0.0044 -0.0034 2020 ILE 467 HG13 -0.0019 -0.0029 -0.0013 2021 ILE 467 CG2 -0.0024 -0.0058 -0.0025 2022 ILE 467 HG21 -0.0011 -0.0047 -0.0034 2023 ILE 467 HG22 -0.0033 -0.0076 -0.0026 2024 ILE 467 HG23 -0.0033 -0.0047 -0.0008 2025 ILE 467 CD1 0.0012 -0.0020 -0.0043 2026 ILE 467 HD11 0.0023 -0.0029 -0.0060 2027 ILE 467 HD12 0.0012 -0.0014 -0.0039 2028 ILE 467 HD13 0.0016 -0.0003 -0.0037 2029 GLN 468 N -0.0028 -0.0125 -0.0062 2030 GLN 468 HN -0.0033 -0.0125 -0.0056 2031 GLN 468 CA -0.0036 -0.0150 -0.0069 2032 GLN 468 HA -0.0043 -0.0147 -0.0060 2033 GLN 468 C -0.0020 -0.0159 -0.0093 2034 GLN 468 O -0.0018 -0.0164 -0.0098 2035 GLN 468 CB -0.0052 -0.0170 -0.0063 2036 GLN 468 HB2 -0.0063 -0.0161 -0.0046 2037 GLN 468 HB3 -0.0046 -0.0173 -0.0073 2038 GLN 468 CG -0.0065 -0.0195 -0.0065 2039 GLN 468 HG2 -0.0055 -0.0204 -0.0082 2040 GLN 468 HG3 -0.0075 -0.0208 -0.0061 2041 GLN 468 CD -0.0076 -0.0193 -0.0050 2042 GLN 468 OE1 -0.0073 -0.0200 -0.0058 2043 GLN 468 NE2 -0.0089 -0.0183 -0.0029 2044 GLN 468 HE21 -0.0097 -0.0182 -0.0019 2045 GLN 468 HE22 -0.0091 -0.0177 -0.0023 2046 ALA 469 N -0.0011 -0.0156 -0.0110 2047 ALA 469 HN -0.0013 -0.0152 -0.0106 2048 ALA 469 CA 0.0004 -0.0162 -0.0134 2049 ALA 469 HA -0.0001 -0.0180 -0.0139 2050 ALA 469 C 0.0019 -0.0146 -0.0141 2051 ALA 469 O 0.0024 -0.0156 -0.0155 2052 ALA 469 CB 0.0014 -0.0161 -0.0145 2053 ALA 469 HB1 0.0020 -0.0142 -0.0140 2054 ALA 469 HB2 0.0004 -0.0173 -0.0141 2055 ALA 469 HB3 0.0025 -0.0167 -0.0163 2056 ARG 470 N 0.0024 -0.0121 -0.0132 2057 ARG 470 HN 0.0020 -0.0114 -0.0122 2058 ARG 470 CA 0.0036 -0.0104 -0.0135 2059 ARG 470 HA 0.0047 -0.0108 -0.0152 2060 ARG 470 C 0.0027 -0.0109 -0.0127 2061 ARG 470 O 0.0035 -0.0113 -0.0139 2062 ARG 470 CB 0.0042 -0.0077 -0.0125 2063 ARG 470 HB2 0.0030 -0.0073 -0.0108 2064 ARG 470 HB3 0.0050 -0.0065 -0.0127 2065 ARG 470 CG 0.0055 -0.0068 -0.0135 2066 ARG 470 HG2 0.0058 -0.0048 -0.0126 2067 ARG 470 HG3 0.0047 -0.0077 -0.0131 2068 ARG 470 CD 0.0073 -0.0070 -0.0159 2069 ARG 470 HD2 0.0081 -0.0061 -0.0163 2070 ARG 470 HD3 0.0082 -0.0060 -0.0163 2071 ARG 470 NE 0.0071 -0.0096 -0.0174 2072 ARG 470 HE 0.0077 -0.0102 -0.0184 2073 ARG 470 CZ 0.0065 -0.0112 -0.0176 2074 ARG 470 NH1 0.0059 -0.0106 -0.0165 2075 ARG 470 HH11 0.0061 -0.0089 -0.0156 2076 ARG 470 HH12 0.0057 -0.0117 -0.0170 2077 ARG 470 NH2 0.0063 -0.0135 -0.0189 2078 ARG 470 HH21 0.0066 -0.0140 -0.0196 2079 ARG 470 HH22 0.0056 -0.0147 -0.0189 2080 GLN 471 N 0.0010 -0.0115 -0.0108 2081 GLN 471 HN 0.0003 -0.0111 -0.0097 2082 GLN 471 CA -0.0002 -0.0123 -0.0098 2083 GLN 471 HA 0.0007 -0.0108 -0.0099 2084 GLN 471 C -0.0004 -0.0151 -0.0113 2085 GLN 471 O -0.0001 -0.0153 -0.0119 2086 GLN 471 CB -0.0024 -0.0122 -0.0071 2087 GLN 471 HB2 -0.0029 -0.0126 -0.0066 2088 GLN 471 HB3 -0.0036 -0.0139 -0.0068 2089 GLN 471 CG -0.0025 -0.0096 -0.0052 2090 GLN 471 HG2 -0.0017 -0.0090 -0.0059 2091 GLN 471 HG3 -0.0042 -0.0101 -0.0035 2092 GLN 471 CD -0.0017 -0.0070 -0.0046 2093 GLN 471 OE1 -0.0029 -0.0061 -0.0025 2094 GLN 471 NE2 0.0004 -0.0057 -0.0063 2095 GLN 471 HE21 0.0010 -0.0041 -0.0060 2096 GLN 471 HE22 0.0014 -0.0065 -0.0080 2097 LYS 472 N -0.0010 -0.0174 -0.0121 2098 LYS 472 HN -0.0014 -0.0172 -0.0115 2099 LYS 472 CA -0.0011 -0.0201 -0.0137 2100 LYS 472 HA -0.0023 -0.0209 -0.0128 2101 LYS 472 C 0.0009 -0.0200 -0.0161 2102 LYS 472 O 0.0007 -0.0214 -0.0168 2103 LYS 472 CB -0.0017 -0.0223 -0.0144 2104 LYS 472 HB2 -0.0005 -0.0214 -0.0153 2105 LYS 472 HB3 -0.0016 -0.0242 -0.0158 2106 LYS 472 CG -0.0039 -0.0232 -0.0123 2107 LYS 472 HG2 -0.0039 -0.0215 -0.0112 2108 LYS 472 HG3 -0.0041 -0.0250 -0.0132 2109 LYS 472 CD -0.0057 -0.0240 -0.0106 2110 LYS 472 HD2 -0.0072 -0.0246 -0.0092 2111 LYS 472 HD3 -0.0056 -0.0221 -0.0096 2112 LYS 472 CE -0.0060 -0.0264 -0.0117 2113 LYS 472 HE2 -0.0046 -0.0259 -0.0131 2114 LYS 472 HE3 -0.0064 -0.0283 -0.0126 2115 LYS 472 NZ -0.0078 -0.0268 -0.0098 2116 LYS 472 HZ1 -0.0075 -0.0251 -0.0091 2117 LYS 472 HZ2 -0.0081 -0.0285 -0.0106 2118 LYS 472 HZ3 -0.0091 -0.0272 -0.0085 2119 HIS 473 N 0.0022 -0.0187 -0.0172 2120 HIS 473 HN 0.0023 -0.0176 -0.0166 2121 HIS 473 CA 0.0043 -0.0182 -0.0194 2122 HIS 473 HA 0.0041 -0.0201 -0.0203 2123 HIS 473 C 0.0051 -0.0155 -0.0188 2124 HIS 473 O 0.0072 -0.0144 -0.0204 2125 HIS 473 CB 0.0062 -0.0180 -0.0215 2126 HIS 473 HB2 0.0068 -0.0158 -0.0209 2127 HIS 473 HB3 0.0055 -0.0197 -0.0217 2128 HIS 473 CG 0.0082 -0.0183 -0.0241 2129 HIS 473 ND1 0.0083 -0.0210 -0.0258 2130 HIS 473 HD1 0.0071 -0.0230 -0.0256 2131 HIS 473 CD2 0.0102 -0.0163 -0.0251 2132 HIS 473 HD2 0.0107 -0.0139 -0.0243 2133 HIS 473 CE1 0.0102 -0.0207 -0.0278 2134 HIS 473 HE1 0.0108 -0.0224 -0.0295 2135 HIS 473 NE2 0.0114 -0.0178 -0.0275 2136 HIS 473 HE2 0.0129 -0.0169 -0.0287 2137 ALA 474 N 0.0036 -0.0146 -0.0164 2138 ALA 474 HN 0.0020 -0.0156 -0.0151 2139 ALA 474 CA 0.0040 -0.0121 -0.0154 2140 ALA 474 HA 0.0025 -0.0118 -0.0134 2141 ALA 474 C 0.0059 -0.0091 -0.0158 2142 ALA 474 O 0.0073 -0.0076 -0.0166 2143 ALA 474 CB 0.0043 -0.0131 -0.0163 2144 ALA 474 HB1 0.0059 -0.0135 -0.0184 2145 ALA 474 HB2 0.0028 -0.0152 -0.0159 2146 ALA 474 HB3 0.0044 -0.0114 -0.0154 2147 PHE 475 N 0.0053 -0.0083 -0.0146 2148 PHE 475 HN 0.0044 -0.0097 -0.0142 2149 PHE 475 CA 0.0065 -0.0057 -0.0147 2150 PHE 475 HA 0.0073 -0.0044 -0.0151 2151 PHE 475 C 0.0053 -0.0044 -0.0123 2152 PHE 475 O 0.0036 -0.0057 -0.0108 2153 PHE 475 CB 0.0078 -0.0062 -0.0168 2154 PHE 475 HB2 0.0084 -0.0075 -0.0184 2155 PHE 475 HB3 0.0070 -0.0072 -0.0163 2156 PHE 475 CG 0.0094 -0.0036 -0.0175 2157 PHE 475 CD1 0.0093 -0.0021 -0.0164 2158 PHE 475 HD1 0.0080 -0.0028 -0.0151 2159 PHE 475 CD2 0.0110 -0.0026 -0.0191 2160 PHE 475 HD2 0.0111 -0.0036 -0.0199 2161 PHE 475 CE1 0.0108 0.0003 -0.0171 2162 PHE 475 HE1 0.0107 0.0014 -0.0163 2163 PHE 475 CE2 0.0125 -0.0002 -0.0198 2164 PHE 475 HE2 0.0138 0.0006 -0.0211 2165 PHE 475 CZ 0.0124 0.0012 -0.0188 2166 PHE 475 HZ 0.0136 0.0031 -0.0193 2167 GLU 476 N 0.0061 -0.0017 -0.0118 2168 GLU 476 HN 0.0075 -0.0008 -0.0132 2169 GLU 476 CA 0.0052 0.0001 -0.0095 2170 GLU 476 HA 0.0039 -0.0009 -0.0082 2171 GLU 476 C 0.0048 0.0002 -0.0089 2172 GLU 476 O 0.0050 -0.0013 -0.0101 2173 GLU 476 CB 0.0062 0.0029 -0.0092 2174 GLU 476 HB2 0.0071 0.0027 -0.0105 2175 GLU 476 HB3 0.0073 0.0044 -0.0098 2176 GLU 476 CG 0.0049 0.0040 -0.0067 2177 GLU 476 HG2 0.0039 0.0025 -0.0062 2178 GLU 476 HG3 0.0042 0.0046 -0.0054 2179 GLU 476 CD 0.0059 0.0066 -0.0066 2180 GLU 476 OE1 0.0072 0.0086 -0.0072 2181 GLU 476 OE2 0.0054 0.0066 -0.0059 2182 LYS 477 N 0.0037 0.0020 -0.0065 2183 LYS 477 HN 0.0039 0.0033 -0.0059 2184 LYS 477 CA 0.0027 0.0015 -0.0051 2185 LYS 477 HA 0.0026 0.0002 -0.0061 2186 LYS 477 C 0.0033 0.0036 -0.0044 2187 LYS 477 O 0.0030 0.0049 -0.0026 2188 LYS 477 CB 0.0012 0.0005 -0.0032 2189 LYS 477 HB2 0.0006 0.0003 -0.0021 2190 LYS 477 HB3 0.0008 -0.0012 -0.0039 2191 LYS 477 CG 0.0011 0.0018 -0.0018 2192 LYS 477 HG2 0.0020 0.0025 -0.0029 2193 LYS 477 HG3 0.0012 0.0033 -0.0006 2194 LYS 477 CD -0.0002 0.0004 -0.0005 2195 LYS 477 HD2 -0.0002 0.0014 0.0004 2196 LYS 477 HD3 -0.0001 -0.0009 -0.0018 2197 LYS 477 CE -0.0016 -0.0008 0.0011 2198 LYS 477 HE2 -0.0015 -0.0015 0.0004 2199 LYS 477 HE3 -0.0018 0.0004 0.0027 2200 LYS 477 NZ -0.0027 -0.0027 0.0016 2201 LYS 477 HZ1 -0.0025 -0.0038 0.0001 2202 LYS 477 HZ2 -0.0037 -0.0034 0.0027 2203 LYS 477 HZ3 -0.0027 -0.0021 0.0021 2204 TYR 478 N 0.0041 0.0038 -0.0058 2205 TYR 478 HN 0.0043 0.0026 -0.0072 2206 TYR 478 CA 0.0050 0.0056 -0.0058 2207 TYR 478 HA 0.0059 0.0069 -0.0064 2208 TYR 478 C 0.0043 0.0068 -0.0035 2209 TYR 478 O 0.0049 0.0087 -0.0028 2210 TYR 478 CB 0.0055 0.0049 -0.0075 2211 TYR 478 HB2 0.0060 0.0041 -0.0091 2212 TYR 478 HB3 0.0047 0.0037 -0.0069 2213 TYR 478 CG 0.0067 0.0069 -0.0079 2214 TYR 478 CD1 0.0080 0.0085 -0.0091 2215 TYR 478 HD1 0.0082 0.0083 -0.0096 2216 TYR 478 CD2 0.0065 0.0072 -0.0073 2217 TYR 478 HD2 0.0055 0.0060 -0.0064 2218 TYR 478 CE1 0.0091 0.0102 -0.0096 2219 TYR 478 HE1 0.0101 0.0114 -0.0105 2220 TYR 478 CE2 0.0076 0.0089 -0.0078 2221 TYR 478 HE2 0.0074 0.0091 -0.0074 2222 TYR 478 CZ 0.0089 0.0105 -0.0090 2223 TYR 478 OH 0.0100 0.0122 -0.0096 2224 TYR 478 HH 0.0098 0.0119 -0.0094 2225 TYR 479 N 0.0031 0.0060 -0.0023 2226 TYR 479 HN 0.0029 0.0046 -0.0028 2227 TYR 479 CA 0.0025 0.0069 -0.0005 2228 TYR 479 HA 0.0032 0.0082 -0.0007 2229 TYR 479 C 0.0019 0.0076 0.0012 2230 TYR 479 O 0.0020 0.0092 0.0023 2231 TYR 479 CB 0.0017 0.0055 0.0002 2232 TYR 479 HB2 0.0010 0.0041 0.0003 2233 TYR 479 HB3 0.0012 0.0063 0.0016 2234 TYR 479 CG 0.0023 0.0053 -0.0012 2235 TYR 479 CD1 0.0020 0.0033 -0.0022 2236 TYR 479 HD1 0.0014 0.0021 -0.0020 2237 TYR 479 CD2 0.0031 0.0069 -0.0016 2238 TYR 479 HD2 0.0033 0.0084 -0.0008 2239 TYR 479 CE1 0.0025 0.0030 -0.0034 2240 TYR 479 HE1 0.0023 0.0016 -0.0042 2241 TYR 479 CE2 0.0036 0.0066 -0.0028 2242 TYR 479 HE2 0.0042 0.0079 -0.0030 2243 TYR 479 CZ 0.0033 0.0047 -0.0037 2244 TYR 479 OH 0.0038 0.0044 -0.0050 2245 TYR 479 HH 0.0044 0.0057 -0.0051 2246 ASN 480 N 0.0014 0.0064 0.0014 2247 ASN 480 HN 0.0013 0.0051 0.0005 2248 ASN 480 CA 0.0009 0.0069 0.0027 2249 ASN 480 HA 0.0004 0.0074 0.0041 2250 ASN 480 C 0.0018 0.0087 0.0023 2251 ASN 480 O 0.0016 0.0098 0.0037 2252 ASN 480 CB 0.0000 0.0051 0.0029 2253 ASN 480 HB2 0.0006 0.0048 0.0017 2254 ASN 480 HB3 -0.0005 0.0037 0.0029 2255 ASN 480 CG -0.0008 0.0054 0.0048 2256 ASN 480 OD1 -0.0007 0.0059 0.0050 2257 ASN 480 ND2 -0.0018 0.0050 0.0063 2258 ASN 480 HD21 -0.0024 0.0050 0.0076 2259 ASN 480 HD22 -0.0019 0.0044 0.0062 2260 ARG 481 N 0.0029 0.0093 0.0002 2261 ARG 481 HN 0.0030 0.0080 -0.0010 2262 ARG 481 CA 0.0040 0.0114 -0.0006 2263 ARG 481 HA 0.0038 0.0120 0.0003 2264 ARG 481 C 0.0044 0.0132 -0.0001 2265 ARG 481 O 0.0046 0.0150 0.0010 2266 ARG 481 CB 0.0049 0.0112 -0.0031 2267 ARG 481 HB2 0.0047 0.0097 -0.0040 2268 ARG 481 HB3 0.0057 0.0127 -0.0039 2269 ARG 481 CG 0.0050 0.0109 -0.0036 2270 ARG 481 HG2 0.0054 0.0103 -0.0053 2271 ARG 481 HG3 0.0041 0.0096 -0.0026 2272 ARG 481 CD 0.0055 0.0131 -0.0031 2273 ARG 481 HD2 0.0052 0.0139 -0.0014 2274 ARG 481 HD3 0.0064 0.0142 -0.0043 2275 ARG 481 NE 0.0053 0.0124 -0.0032 2276 ARG 481 HE 0.0055 0.0114 -0.0046 2277 ARG 481 CZ 0.0047 0.0125 -0.0015 2278 ARG 481 NH1 0.0043 0.0136 0.0005 2279 ARG 481 HH11 0.0046 0.0146 0.0006 2280 ARG 481 HH12 0.0039 0.0138 0.0016 2281 ARG 481 NH2 0.0045 0.0116 -0.0018 2282 ARG 481 HH21 0.0047 0.0104 -0.0033 2283 ARG 481 HH22 0.0041 0.0117 -0.0007 2284 CYS 482 N 0.0046 0.0128 -0.0009 2285 CYS 482 HN 0.0045 0.0114 -0.0019 2286 CYS 482 CA 0.0048 0.0142 -0.0003 2287 CYS 482 HA 0.0057 0.0157 -0.0012 2288 CYS 482 C 0.0042 0.0151 0.0021 2289 CYS 482 O 0.0046 0.0171 0.0027 2290 CYS 482 CB 0.0047 0.0130 -0.0012 2291 CYS 482 HB2 0.0038 0.0116 -0.0001 2292 CYS 482 HB3 0.0051 0.0121 -0.0029 2293 CYS 482 SG 0.0054 0.0147 -0.0013 2294 CYS 482 HG 0.0050 0.0159 0.0007 2295 CYS 483 N 0.0029 0.0139 0.0032 2296 CYS 483 HN 0.0026 0.0122 0.0027 2297 CYS 483 CA 0.0021 0.0144 0.0055 2298 CYS 483 HA 0.0021 0.0152 0.0061 2299 CYS 483 C 0.0023 0.0161 0.0063 2300 CYS 483 O 0.0019 0.0172 0.0081 2301 CYS 483 CB 0.0010 0.0121 0.0066 2302 CYS 483 HB2 0.0011 0.0111 0.0056 2303 CYS 483 HB3 0.0009 0.0112 0.0063 2304 CYS 483 SG -0.0001 0.0123 0.0094 2305 CYS 483 HG 0.0003 0.0143 0.0100 2306 ARG 484 N 0.0028 0.0163 0.0050 2307 ARG 484 HN 0.0031 0.0153 0.0036 2308 ARG 484 CA 0.0031 0.0178 0.0054 2309 ARG 484 HA 0.0026 0.0184 0.0071 2310 ARG 484 C 0.0042 0.0199 0.0042 2311 ARG 484 O 0.0044 0.0218 0.0051 2312 ARG 484 CB 0.0031 0.0168 0.0048 2313 ARG 484 HB2 0.0038 0.0167 0.0030 2314 ARG 484 HB3 0.0031 0.0180 0.0055 2315 ARG 484 CG 0.0021 0.0144 0.0054 2316 ARG 484 HG2 0.0022 0.0141 0.0052 2317 ARG 484 HG3 0.0023 0.0132 0.0042 2318 ARG 484 CD 0.0011 0.0139 0.0077 2319 ARG 484 HD2 0.0010 0.0143 0.0081 2320 ARG 484 HD3 0.0009 0.0149 0.0089 2321 ARG 484 NE 0.0003 0.0114 0.0078 2322 ARG 484 HE 0.0006 0.0104 0.0065 2323 ARG 484 CZ -0.0007 0.0104 0.0096 2324 ARG 484 NH1 -0.0011 0.0115 0.0116 2325 ARG 484 HH11 -0.0008 0.0131 0.0118 2326 ARG 484 HH12 -0.0019 0.0107 0.0129 2327 ARG 484 NH2 -0.0012 0.0082 0.0093 2328 ARG 484 HH21 -0.0008 0.0074 0.0078 2329 ARG 484 HH22 -0.0019 0.0074 0.0105 2330 ASP 485 N 0.0051 0.0196 0.0021 2331 ASP 485 HN 0.0049 0.0182 0.0014 2332 ASP 485 CA 0.0061 0.0212 0.0008 2333 ASP 485 HA 0.0065 0.0223 0.0007 2334 ASP 485 C 0.0061 0.0224 0.0019 2335 ASP 485 O 0.0068 0.0243 0.0019 2336 ASP 485 CB 0.0066 0.0203 -0.0014 2337 ASP 485 HB2 0.0073 0.0216 -0.0022 2338 ASP 485 HB3 0.0062 0.0193 -0.0013 2339 ASP 485 CG 0.0066 0.0192 -0.0026 2340 ASP 485 OD1 0.0069 0.0200 -0.0025 2341 ASP 485 OD2 0.0064 0.0176 -0.0037 2342 HIS 486 N 0.0055 0.0214 0.0027 2343 HIS 486 HN 0.0051 0.0198 0.0025 2344 HIS 486 CA 0.0053 0.0223 0.0042 2345 HIS 486 HA 0.0058 0.0239 0.0042 2346 HIS 486 C 0.0044 0.0217 0.0064 2347 HIS 486 O 0.0036 0.0200 0.0069 2348 HIS 486 CB 0.0052 0.0214 0.0038 2349 HIS 486 HB2 0.0051 0.0223 0.0048 2350 HIS 486 HB3 0.0045 0.0198 0.0041 2351 HIS 486 CG 0.0059 0.0214 0.0016 2352 HIS 486 ND1 0.0057 0.0204 0.0011 2353 HIS 486 CD2 0.0067 0.0221 -0.0001 2354 HIS 486 HD2 0.0071 0.0229 -0.0003 2355 HIS 486 CE1 0.0064 0.0204 -0.0009 2356 HIS 486 HE1 0.0065 0.0197 -0.0018 2357 HIS 486 NE2 0.0071 0.0215 -0.0017 2358 HIS 486 HE2 0.0076 0.0216 -0.0032 2359 PRO 487 N 0.0035 0.0234 0.0073 2360 PRO 487 CA 0.0026 0.0227 0.0095 2361 PRO 487 HA 0.0023 0.0213 0.0092 2362 PRO 487 C 0.0019 0.0221 0.0108 2363 PRO 487 O 0.0019 0.0235 0.0119 2364 PRO 487 CB 0.0027 0.0247 0.0104 2365 PRO 487 HB2 0.0027 0.0260 0.0112 2366 PRO 487 HB3 0.0022 0.0242 0.0116 2367 PRO 487 CG 0.0036 0.0257 0.0085 2368 PRO 487 HG2 0.0036 0.0248 0.0081 2369 PRO 487 HG3 0.0040 0.0275 0.0088 2370 PRO 487 CD 0.0042 0.0251 0.0067 2371 PRO 487 HD2 0.0046 0.0246 0.0053 2372 PRO 487 HD3 0.0046 0.0266 0.0065 2373 ASN 488 N 0.0014 0.0199 0.0108 2374 ASN 488 HN 0.0015 0.0189 0.0099 2375 ASN 488 CA 0.0008 0.0191 0.0120 2376 ASN 488 HA 0.0007 0.0204 0.0131 2377 ASN 488 C -0.0002 0.0173 0.0133 2378 ASN 488 O -0.0003 0.0159 0.0127 2379 ASN 488 CB 0.0011 0.0184 0.0105 2380 ASN 488 HB2 0.0018 0.0199 0.0098 2381 ASN 488 HB3 0.0007 0.0179 0.0115 2382 ASN 488 CG 0.0014 0.0166 0.0087 2383 ASN 488 OD1 0.0021 0.0169 0.0069 2384 ASN 488 ND2 0.0007 0.0148 0.0092 2385 ASN 488 HD21 0.0008 0.0135 0.0081 2386 ASN 488 HD22 0.0002 0.0147 0.0105 2387 LYS 489 N -0.0022 0.0182 0.0142 2388 LYS 489 HN -0.0023 0.0193 0.0142 2389 LYS 489 CA -0.0027 0.0165 0.0162 2390 LYS 489 HA -0.0029 0.0166 0.0169 2391 LYS 489 C -0.0024 0.0138 0.0154 2392 LYS 489 O -0.0025 0.0123 0.0159 2393 LYS 489 CB -0.0033 0.0173 0.0180 2394 LYS 489 HB2 -0.0034 0.0193 0.0183 2395 LYS 489 HB3 -0.0031 0.0171 0.0173 2396 LYS 489 CG -0.0039 0.0160 0.0204 2397 LYS 489 HG2 -0.0038 0.0141 0.0202 2398 LYS 489 HG3 -0.0041 0.0164 0.0211 2399 LYS 489 CD -0.0044 0.0169 0.0221 2400 LYS 489 HD2 -0.0042 0.0167 0.0214 2401 LYS 489 HD3 -0.0046 0.0189 0.0224 2402 LYS 489 CE -0.0051 0.0156 0.0245 2403 LYS 489 HE2 -0.0053 0.0159 0.0253 2404 LYS 489 HE3 -0.0049 0.0137 0.0243 2405 LYS 489 NZ -0.0056 0.0165 0.0261 2406 LYS 489 HZ1 -0.0057 0.0184 0.0264 2407 LYS 489 HZ2 -0.0060 0.0156 0.0277 2408 LYS 489 HZ3 -0.0054 0.0163 0.0254 2409 LEU 490 N -0.0020 0.0133 0.0143 2410 LEU 490 HN -0.0020 0.0145 0.0140 2411 LEU 490 CA -0.0017 0.0109 0.0136 2412 LEU 490 HA -0.0020 0.0096 0.0149 2413 LEU 490 C -0.0010 0.0102 0.0112 2414 LEU 490 O -0.0006 0.0115 0.0095 2415 LEU 490 CB -0.0016 0.0106 0.0133 2416 LEU 490 HB2 -0.0013 0.0120 0.0121 2417 LEU 490 HB3 -0.0013 0.0088 0.0124 2418 LEU 490 CG -0.0023 0.0106 0.0155 2419 LEU 490 HG -0.0025 0.0091 0.0166 2420 LEU 490 CD1 -0.0028 0.0129 0.0169 2421 LEU 490 HD11 -0.0025 0.0145 0.0158 2422 LEU 490 HD12 -0.0030 0.0133 0.0176 2423 LEU 490 HD13 -0.0032 0.0128 0.0184 2424 LEU 490 CD2 -0.0020 0.0099 0.0148 2425 LEU 490 HD21 -0.0017 0.0113 0.0136 2426 LEU 490 HD22 -0.0025 0.0098 0.0163 2427 LEU 490 HD23 -0.0017 0.0082 0.0139 2428 ASP 491 N -0.0022 0.0085 0.0106 2429 ASP 491 HN -0.0028 0.0077 0.0114 2430 ASP 491 CA -0.0018 0.0076 0.0089 2431 ASP 491 HA -0.0012 0.0085 0.0082 2432 ASP 491 C -0.0017 0.0072 0.0082 2433 ASP 491 O -0.0019 0.0075 0.0090 2434 ASP 491 CB -0.0023 0.0061 0.0087 2435 ASP 491 HB2 -0.0026 0.0063 0.0097 2436 ASP 491 HB3 -0.0018 0.0061 0.0075 2437 ASP 491 CG -0.0029 0.0044 0.0088 2438 ASP 491 OD1 -0.0027 0.0034 0.0075 2439 ASP 491 OD2 -0.0036 0.0041 0.0101 2440 LEU 492 N -0.0014 0.0063 0.0067 2441 LEU 492 HN -0.0012 0.0061 0.0061 2442 LEU 492 CA -0.0013 0.0055 0.0059 2443 LEU 492 HA -0.0010 0.0065 0.0059 2444 LEU 492 C -0.0022 0.0041 0.0068 2445 LEU 492 O -0.0023 0.0041 0.0071 2446 LEU 492 CB -0.0007 0.0049 0.0040 2447 LEU 492 HB2 -0.0001 0.0060 0.0035 2448 LEU 492 HB3 -0.0010 0.0040 0.0040 2449 LEU 492 CG -0.0005 0.0041 0.0029 2450 LEU 492 HG -0.0011 0.0029 0.0034 2451 LEU 492 CD1 -0.0002 0.0052 0.0030 2452 LEU 492 HD11 0.0004 0.0065 0.0027 2453 LEU 492 HD12 -0.0007 0.0054 0.0043 2454 LEU 492 HD13 -0.0001 0.0046 0.0022 2455 LEU 492 CD2 0.0001 0.0037 0.0011 2456 LEU 492 HD21 0.0007 0.0049 0.0006 2457 LEU 492 HD22 0.0001 0.0030 0.0004 2458 LEU 492 HD23 -0.0002 0.0030 0.0010 2459 ASP 493 N -0.0028 0.0030 0.0068 2460 ASP 493 HN -0.0028 0.0031 0.0068 2461 ASP 493 CA -0.0036 0.0017 0.0077 2462 ASP 493 HA -0.0035 0.0011 0.0070 2463 ASP 493 C -0.0040 0.0024 0.0092 2464 ASP 493 O -0.0043 0.0019 0.0095 2465 ASP 493 CB -0.0040 0.0006 0.0078 2466 ASP 493 HB2 -0.0043 0.0010 0.0088 2467 ASP 493 HB3 -0.0036 0.0007 0.0069 2468 ASP 493 CG -0.0045 -0.0010 0.0079 2469 ASP 493 OD1 -0.0043 -0.0019 0.0066 2470 ASP 493 OD2 -0.0052 -0.0015 0.0091 2471 SER 494 N -0.0041 0.0034 0.0101 2472 SER 494 HN -0.0039 0.0036 0.0098 2473 SER 494 CA -0.0044 0.0044 0.0115 2474 SER 494 HA -0.0050 0.0036 0.0123 2475 SER 494 C -0.0041 0.0052 0.0113 2476 SER 494 O -0.0045 0.0053 0.0124 2477 SER 494 CB -0.0042 0.0056 0.0120 2478 SER 494 HB2 -0.0036 0.0065 0.0112 2479 SER 494 HB3 -0.0044 0.0051 0.0121 2480 SER 494 OG -0.0046 0.0064 0.0135 2481 SER 494 HG -0.0046 0.0063 0.0135 2482 LEU 495 N -0.0028 0.0059 0.0096 2483 LEU 495 HN -0.0025 0.0059 0.0088 2484 LEU 495 CA -0.0026 0.0063 0.0094 2485 LEU 495 HA -0.0027 0.0068 0.0103 2486 LEU 495 C -0.0029 0.0051 0.0091 2487 LEU 495 O -0.0032 0.0050 0.0098 2488 LEU 495 CB -0.0018 0.0073 0.0083 2489 LEU 495 HB2 -0.0016 0.0071 0.0075 2490 LEU 495 HB3 -0.0017 0.0072 0.0079 2491 LEU 495 CG -0.0014 0.0089 0.0089 2492 LEU 495 HG -0.0009 0.0094 0.0080 2493 LEU 495 CD1 -0.0016 0.0093 0.0099 2494 LEU 495 HD11 -0.0022 0.0089 0.0108 2495 LEU 495 HD12 -0.0016 0.0090 0.0095 2496 LEU 495 HD13 -0.0013 0.0104 0.0101 2497 LEU 495 CD2 -0.0015 0.0093 0.0094 2498 LEU 495 HD21 -0.0020 0.0087 0.0102 2499 LEU 495 HD22 -0.0012 0.0104 0.0098 2500 LEU 495 HD23 -0.0012 0.0092 0.0086 2501 LEU 496 N -0.0028 0.0042 0.0080 2502 LEU 496 HN -0.0025 0.0043 0.0074 2503 LEU 496 CA -0.0030 0.0031 0.0075 2504 LEU 496 HA -0.0028 0.0036 0.0073 2505 LEU 496 C -0.0038 0.0021 0.0085 2506 LEU 496 O -0.0040 0.0015 0.0084 2507 LEU 496 CB -0.0028 0.0024 0.0061 2508 LEU 496 HB2 -0.0030 0.0020 0.0063 2509 LEU 496 HB3 -0.0030 0.0015 0.0059 2510 LEU 496 CG -0.0020 0.0032 0.0049 2511 LEU 496 HG -0.0018 0.0041 0.0052 2512 LEU 496 CD1 -0.0019 0.0024 0.0037 2513 LEU 496 HD11 -0.0021 0.0014 0.0034 2514 LEU 496 HD12 -0.0020 0.0022 0.0040 2515 LEU 496 HD13 -0.0013 0.0030 0.0028 2516 LEU 496 CD2 -0.0017 0.0036 0.0045 2517 LEU 496 HD21 -0.0019 0.0027 0.0043 2518 LEU 496 HD22 -0.0012 0.0042 0.0037 2519 LEU 496 HD23 -0.0018 0.0042 0.0054 2520 ILE 497 N -0.0038 0.0022 0.0090 2521 ILE 497 HN -0.0037 0.0024 0.0090 2522 ILE 497 CA -0.0042 0.0017 0.0097 2523 ILE 497 HA -0.0042 0.0011 0.0094 2524 ILE 497 C -0.0044 0.0022 0.0102 2525 ILE 497 O -0.0046 0.0018 0.0106 2526 ILE 497 CB -0.0046 0.0015 0.0103 2527 ILE 497 HB -0.0044 0.0012 0.0098 2528 ILE 497 CG1 -0.0050 0.0007 0.0109 2529 ILE 497 HG12 -0.0052 0.0006 0.0113 2530 ILE 497 HG13 -0.0052 0.0009 0.0113 2531 ILE 497 CG2 -0.0046 0.0023 0.0108 2532 ILE 497 HG21 -0.0048 0.0026 0.0113 2533 ILE 497 HG22 -0.0043 0.0029 0.0104 2534 ILE 497 HG23 -0.0048 0.0021 0.0111 2535 ILE 497 CD1 -0.0050 -0.0003 0.0104 2536 ILE 497 HD11 -0.0048 -0.0005 0.0100 2537 ILE 497 HD12 -0.0048 -0.0002 0.0100 2538 ILE 497 HD13 -0.0053 -0.0008 0.0109 2539 SER 498 N -0.0042 0.0032 0.0102 2540 SER 498 HN -0.0039 0.0035 0.0099 2541 SER 498 CA -0.0043 0.0038 0.0107 2542 SER 498 HA -0.0046 0.0038 0.0114 2543 SER 498 C -0.0043 0.0035 0.0106 2544 SER 498 O -0.0047 0.0034 0.0113 2545 SER 498 CB -0.0040 0.0048 0.0105 2546 SER 498 HB2 -0.0037 0.0049 0.0099 2547 SER 498 HB3 -0.0041 0.0050 0.0107 2548 SER 498 OG -0.0041 0.0055 0.0110 2549 SER 498 HG -0.0039 0.0061 0.0109 2550 PRO 499 N -0.0037 0.0036 0.0090 2551 PRO 499 CA -0.0038 0.0033 0.0090 2552 PRO 499 HA -0.0038 0.0036 0.0093 2553 PRO 499 C -0.0041 0.0026 0.0093 2554 PRO 499 O -0.0042 0.0025 0.0096 2555 PRO 499 CB -0.0035 0.0032 0.0083 2556 PRO 499 HB2 -0.0035 0.0027 0.0080 2557 PRO 499 HB3 -0.0034 0.0033 0.0082 2558 PRO 499 CG -0.0032 0.0037 0.0080 2559 PRO 499 HG2 -0.0031 0.0043 0.0080 2560 PRO 499 HG3 -0.0030 0.0036 0.0074 2561 PRO 499 CD -0.0034 0.0037 0.0083 2562 PRO 499 HD2 -0.0033 0.0042 0.0084 2563 PRO 499 HD3 -0.0034 0.0033 0.0081 2564 ILE 500 N -0.0042 0.0021 0.0092 2565 ILE 500 HN -0.0040 0.0023 0.0089 2566 ILE 500 CA -0.0044 0.0015 0.0095 2567 ILE 500 HA -0.0045 0.0012 0.0094 2568 ILE 500 C -0.0047 0.0016 0.0102 2569 ILE 500 O -0.0050 0.0012 0.0106 2570 ILE 500 CB -0.0044 0.0010 0.0092 2571 ILE 500 HB -0.0044 0.0013 0.0093 2572 ILE 500 CG1 -0.0041 0.0010 0.0084 2573 ILE 500 HG12 -0.0039 0.0015 0.0082 2574 ILE 500 HG13 -0.0041 0.0006 0.0082 2575 ILE 500 CG2 -0.0047 0.0003 0.0094 2576 ILE 500 HG21 -0.0047 0.0000 0.0093 2577 ILE 500 HG22 -0.0049 0.0004 0.0099 2578 ILE 500 HG23 -0.0047 0.0000 0.0092 2579 ILE 500 CD1 -0.0040 0.0007 0.0081 2580 ILE 500 HD11 -0.0040 0.0012 0.0082 2581 ILE 500 HD12 -0.0042 0.0003 0.0083 2582 ILE 500 HD13 -0.0038 0.0006 0.0076 2583 GLN 501 N -0.0031 0.0032 0.0100 2584 GLN 501 HN -0.0032 0.0032 0.0100 2585 GLN 501 CA -0.0033 0.0032 0.0099 2586 GLN 501 HA -0.0032 0.0032 0.0099 2587 GLN 501 C -0.0033 0.0034 0.0096 2588 GLN 501 O -0.0033 0.0034 0.0095 2589 GLN 501 CB -0.0036 0.0032 0.0099 2590 GLN 501 HB2 -0.0037 0.0032 0.0099 2591 GLN 501 HB3 -0.0037 0.0032 0.0099 2592 GLN 501 CG -0.0036 0.0030 0.0102 2593 GLN 501 HG2 -0.0035 0.0030 0.0103 2594 GLN 501 HG3 -0.0035 0.0030 0.0103 2595 GLN 501 CD -0.0039 0.0030 0.0103 2596 GLN 501 OE1 -0.0040 0.0030 0.0102 2597 GLN 501 NE2 -0.0039 0.0029 0.0105 2598 GLN 501 HE21 -0.0041 0.0028 0.0106 2599 GLN 501 HE22 -0.0038 0.0028 0.0106 2600 ARG 502 N -0.0034 0.0034 0.0095 2601 ARG 502 HN -0.0034 0.0034 0.0096 2602 ARG 502 CA -0.0034 0.0035 0.0092 2603 ARG 502 HA -0.0035 0.0035 0.0092 2604 ARG 502 C -0.0032 0.0036 0.0091 2605 ARG 502 O -0.0032 0.0037 0.0089 2606 ARG 502 CB -0.0035 0.0035 0.0092 2607 ARG 502 HB2 -0.0037 0.0035 0.0093 2608 ARG 502 HB3 -0.0033 0.0035 0.0092 2609 ARG 502 CG -0.0036 0.0036 0.0089 2610 ARG 502 HG2 -0.0034 0.0037 0.0088 2611 ARG 502 HG3 -0.0036 0.0036 0.0089 2612 ARG 502 CD -0.0038 0.0037 0.0088 2613 ARG 502 HD2 -0.0040 0.0036 0.0089 2614 ARG 502 HD3 -0.0037 0.0037 0.0088 2615 ARG 502 NE -0.0038 0.0038 0.0086 2616 ARG 502 HE -0.0037 0.0038 0.0085 2617 ARG 502 CZ -0.0040 0.0038 0.0084 2618 ARG 502 NH1 -0.0041 0.0038 0.0084 2619 ARG 502 HH11 -0.0041 0.0037 0.0086 2620 ARG 502 HH12 -0.0043 0.0038 0.0083 2621 ARG 502 NH2 -0.0040 0.0039 0.0082 2622 ARG 502 HH21 -0.0040 0.0039 0.0082 2623 ARG 502 HH22 -0.0042 0.0039 0.0081 2624 VAL 503 N -0.0037 0.0037 0.0081 2625 VAL 503 HN -0.0038 0.0037 0.0082 2626 VAL 503 CA -0.0037 0.0037 0.0081 2627 VAL 503 HA -0.0037 0.0036 0.0081 2628 VAL 503 C -0.0036 0.0038 0.0080 2629 VAL 503 O -0.0035 0.0037 0.0080 2630 VAL 503 CB -0.0038 0.0038 0.0083 2631 VAL 503 HB -0.0038 0.0039 0.0083 2632 VAL 503 CG1 -0.0039 0.0037 0.0083 2633 VAL 503 HG11 -0.0039 0.0036 0.0083 2634 VAL 503 HG12 -0.0040 0.0038 0.0084 2635 VAL 503 HG13 -0.0040 0.0036 0.0084 2636 VAL 503 CG2 -0.0037 0.0040 0.0083 2637 VAL 503 HG21 -0.0037 0.0039 0.0082 2638 VAL 503 HG22 -0.0036 0.0041 0.0082 2639 VAL 503 HG23 -0.0038 0.0040 0.0084 2640 PRO 504 N -0.0035 0.0039 0.0080 2641 PRO 504 CA -0.0033 0.0040 0.0079 2642 PRO 504 HA -0.0033 0.0040 0.0079 2643 PRO 504 C -0.0033 0.0038 0.0078 2644 PRO 504 O -0.0032 0.0038 0.0077 2645 PRO 504 CB -0.0033 0.0041 0.0079 2646 PRO 504 HB2 -0.0033 0.0041 0.0079 2647 PRO 504 HB3 -0.0032 0.0042 0.0078 2648 PRO 504 CG -0.0034 0.0042 0.0080 2649 PRO 504 HG2 -0.0034 0.0043 0.0081 2650 PRO 504 HG3 -0.0034 0.0042 0.0081 2651 PRO 504 CD -0.0035 0.0040 0.0081 2652 PRO 504 HD2 -0.0036 0.0041 0.0082 2653 PRO 504 HD3 -0.0036 0.0040 0.0081 2654 ARG 505 N -0.0029 0.0051 0.0069 2655 ARG 505 HN -0.0030 0.0050 0.0071 2656 ARG 505 CA -0.0029 0.0048 0.0065 2657 ARG 505 HA -0.0028 0.0050 0.0062 2658 ARG 505 C -0.0029 0.0048 0.0066 2659 ARG 505 O -0.0028 0.0048 0.0063 2660 ARG 505 CB -0.0029 0.0043 0.0065 2661 ARG 505 HB2 -0.0029 0.0044 0.0065 2662 ARG 505 HB3 -0.0029 0.0041 0.0068 2663 ARG 505 CG -0.0028 0.0041 0.0061 2664 ARG 505 HG2 -0.0028 0.0043 0.0058 2665 ARG 505 HG3 -0.0028 0.0040 0.0061 2666 ARG 505 CD -0.0028 0.0036 0.0059 2667 ARG 505 HD2 -0.0028 0.0033 0.0061 2668 ARG 505 HD3 -0.0028 0.0037 0.0059 2669 ARG 505 NE -0.0027 0.0036 0.0054 2670 ARG 505 HE -0.0027 0.0039 0.0052 2671 ARG 505 CZ -0.0027 0.0032 0.0052 2672 ARG 505 NH1 -0.0027 0.0028 0.0053 2673 ARG 505 HH11 -0.0027 0.0028 0.0054 2674 ARG 505 HH12 -0.0026 0.0025 0.0051 2675 ARG 505 NH2 -0.0026 0.0032 0.0049 2676 ARG 505 HH21 -0.0026 0.0035 0.0047 2677 ARG 505 HH22 -0.0026 0.0029 0.0048 2678 TYR 506 N -0.0030 0.0049 0.0071 2679 TYR 506 HN -0.0030 0.0049 0.0073 2680 TYR 506 CA -0.0030 0.0050 0.0072 2681 TYR 506 HA -0.0030 0.0046 0.0071 2682 TYR 506 C -0.0029 0.0054 0.0069 2683 TYR 506 O -0.0029 0.0053 0.0068 2684 TYR 506 CB -0.0031 0.0050 0.0077 2685 TYR 506 HB2 -0.0031 0.0053 0.0078 2686 TYR 506 HB3 -0.0031 0.0051 0.0078 2687 TYR 506 CG -0.0031 0.0046 0.0080 2688 TYR 506 CD1 -0.0031 0.0042 0.0079 2689 TYR 506 HD1 -0.0030 0.0041 0.0076 2690 TYR 506 CD2 -0.0032 0.0046 0.0084 2691 TYR 506 HD2 -0.0032 0.0049 0.0085 2692 TYR 506 CE1 -0.0031 0.0038 0.0082 2693 TYR 506 HE1 -0.0031 0.0034 0.0081 2694 TYR 506 CE2 -0.0032 0.0042 0.0086 2695 TYR 506 HE2 -0.0032 0.0042 0.0089 2696 TYR 506 CZ -0.0032 0.0038 0.0085 2697 TYR 506 OH -0.0032 0.0034 0.0088 2698 TYR 506 HH -0.0032 0.0031 0.0088 2699 GLU 507 N -0.0027 0.0057 0.0063 2700 GLU 507 HN -0.0027 0.0057 0.0065 2701 GLU 507 CA -0.0026 0.0061 0.0060 2702 GLU 507 HA -0.0026 0.0061 0.0061 2703 GLU 507 C -0.0025 0.0059 0.0054 2704 GLU 507 O -0.0024 0.0059 0.0051 2705 GLU 507 CB -0.0026 0.0066 0.0060 2706 GLU 507 HB2 -0.0025 0.0069 0.0057 2707 GLU 507 HB3 -0.0026 0.0068 0.0064 2708 GLU 507 CG -0.0025 0.0067 0.0060 2709 GLU 507 HG2 -0.0025 0.0064 0.0057 2710 GLU 507 HG3 -0.0026 0.0065 0.0064 2711 GLU 507 CD -0.0025 0.0072 0.0059 2712 GLU 507 OE1 -0.0024 0.0074 0.0055 2713 GLU 507 OE2 -0.0026 0.0075 0.0063 2714 LEU 508 N -0.0024 0.0057 0.0052 2715 LEU 508 HN -0.0025 0.0057 0.0054 2716 LEU 508 CA -0.0024 0.0055 0.0047 2717 LEU 508 HA -0.0023 0.0058 0.0044 2718 LEU 508 C -0.0023 0.0051 0.0045 2719 LEU 508 O -0.0023 0.0051 0.0041 2720 LEU 508 CB -0.0024 0.0053 0.0046 2721 LEU 508 HB2 -0.0024 0.0050 0.0049 2722 LEU 508 HB3 -0.0023 0.0051 0.0042 2723 LEU 508 CG -0.0024 0.0057 0.0047 2724 LEU 508 HG -0.0024 0.0059 0.0051 2725 LEU 508 CD1 -0.0024 0.0054 0.0046 2726 LEU 508 HD11 -0.0023 0.0052 0.0043 2727 LEU 508 HD12 -0.0024 0.0051 0.0049 2728 LEU 508 HD13 -0.0024 0.0057 0.0047 2729 LEU 508 CD2 -0.0023 0.0062 0.0043 2730 LEU 508 HD21 -0.0022 0.0060 0.0039 2731 LEU 508 HD22 -0.0023 0.0064 0.0044 2732 LEU 508 HD23 -0.0023 0.0064 0.0043 2733 ILE 509 N -0.0019 0.0059 0.0041 2734 ILE 509 HN -0.0021 0.0059 0.0047 2735 ILE 509 CA -0.0020 0.0051 0.0039 2736 ILE 509 HA -0.0019 0.0049 0.0033 2737 ILE 509 C -0.0019 0.0053 0.0037 2738 ILE 509 O -0.0018 0.0050 0.0030 2739 ILE 509 CB -0.0023 0.0044 0.0045 2740 ILE 509 HB -0.0023 0.0044 0.0046 2741 ILE 509 CG1 -0.0024 0.0035 0.0041 2742 ILE 509 HG12 -0.0026 0.0031 0.0046 2743 ILE 509 HG13 -0.0023 0.0035 0.0039 2744 ILE 509 CG2 -0.0025 0.0046 0.0053 2745 ILE 509 HG21 -0.0025 0.0045 0.0053 2746 ILE 509 HG22 -0.0024 0.0053 0.0055 2747 ILE 509 HG23 -0.0027 0.0042 0.0058 2748 ILE 509 CD1 -0.0022 0.0032 0.0034 2749 ILE 509 HD11 -0.0023 0.0032 0.0035 2750 ILE 509 HD12 -0.0020 0.0035 0.0028 2751 ILE 509 HD13 -0.0023 0.0025 0.0032 2752 VAL 510 N -0.0019 0.0059 0.0042 2753 VAL 510 HN -0.0020 0.0061 0.0047 2754 VAL 510 CA -0.0018 0.0063 0.0041 2755 VAL 510 HA -0.0019 0.0057 0.0039 2756 VAL 510 C -0.0015 0.0068 0.0033 2757 VAL 510 O -0.0014 0.0066 0.0027 2758 VAL 510 CB -0.0019 0.0067 0.0049 2759 VAL 510 HB -0.0019 0.0072 0.0051 2760 VAL 510 CG1 -0.0023 0.0061 0.0056 2761 VAL 510 HG11 -0.0023 0.0056 0.0054 2762 VAL 510 HG12 -0.0023 0.0065 0.0061 2763 VAL 510 HG13 -0.0024 0.0058 0.0057 2764 VAL 510 CG2 -0.0018 0.0072 0.0047 2765 VAL 510 HG21 -0.0018 0.0068 0.0045 2766 VAL 510 HG22 -0.0016 0.0077 0.0042 2767 VAL 510 HG23 -0.0019 0.0076 0.0053 2768 LYS 511 N -0.0004 0.0072 0.0026 2769 LYS 511 HN -0.0004 0.0072 0.0029 2770 LYS 511 CA -0.0004 0.0076 0.0018 2771 LYS 511 HA -0.0004 0.0081 0.0019 2772 LYS 511 C -0.0003 0.0072 0.0011 2773 LYS 511 O -0.0003 0.0075 0.0007 2774 LYS 511 CB -0.0004 0.0080 0.0017 2775 LYS 511 HB2 -0.0004 0.0075 0.0017 2776 LYS 511 HB3 -0.0003 0.0082 0.0011 2777 LYS 511 CG -0.0004 0.0086 0.0023 2778 LYS 511 HG2 -0.0004 0.0091 0.0022 2779 LYS 511 HG3 -0.0005 0.0084 0.0029 2780 LYS 511 CD -0.0004 0.0089 0.0021 2781 LYS 511 HD2 -0.0004 0.0091 0.0015 2782 LYS 511 HD3 -0.0004 0.0084 0.0022 2783 LYS 511 CE -0.0005 0.0096 0.0027 2784 LYS 511 HE2 -0.0005 0.0094 0.0033 2785 LYS 511 HE3 -0.0005 0.0101 0.0026 2786 LYS 511 NZ -0.0005 0.0098 0.0027 2787 LYS 511 HZ1 -0.0005 0.0096 0.0032 2788 LYS 511 HZ2 -0.0005 0.0104 0.0026 2789 LYS 511 HZ3 -0.0004 0.0095 0.0022 2790 GLN 512 N -0.0003 0.0065 0.0010 2791 GLN 512 HN -0.0003 0.0063 0.0014 2792 GLN 512 CA -0.0002 0.0059 0.0004 2793 GLN 512 HA -0.0002 0.0062 -0.0001 2794 GLN 512 C -0.0002 0.0056 0.0005 2795 GLN 512 O -0.0002 0.0058 -0.0001 2796 GLN 512 CB -0.0002 0.0052 0.0004 2797 GLN 512 HB2 -0.0002 0.0055 0.0004 2798 GLN 512 HB3 -0.0002 0.0049 0.0009 2799 GLN 512 CG -0.0001 0.0047 -0.0004 2800 GLN 512 HG2 -0.0001 0.0044 -0.0004 2801 GLN 512 HG3 -0.0001 0.0042 -0.0003 2802 GLN 512 CD -0.0001 0.0051 -0.0011 2803 GLN 512 OE1 -0.0000 0.0053 -0.0016 2804 GLN 512 NE2 -0.0001 0.0053 -0.0013 2805 GLN 512 HE21 -0.0000 0.0055 -0.0018 2806 GLN 512 HE22 -0.0001 0.0051 -0.0010 2807 MET 513 N -0.0004 0.0058 -0.0008 2808 MET 513 HN -0.0006 0.0058 0.0000 2809 MET 513 CA -0.0005 0.0051 -0.0007 2810 MET 513 HA -0.0004 0.0043 -0.0014 2811 MET 513 C -0.0003 0.0059 -0.0010 2812 MET 513 O -0.0001 0.0055 -0.0018 2813 MET 513 CB -0.0010 0.0045 0.0007 2814 MET 513 HB2 -0.0011 0.0053 0.0014 2815 MET 513 HB3 -0.0011 0.0039 0.0009 2816 MET 513 CG -0.0012 0.0036 0.0009 2817 MET 513 HG2 -0.0010 0.0043 0.0008 2818 MET 513 HG3 -0.0015 0.0033 0.0019 2819 MET 513 SD -0.0010 0.0021 -0.0001 2820 MET 513 CE -0.0009 0.0023 -0.0006 2821 MET 513 HE1 -0.0009 0.0014 -0.0011 2822 MET 513 HE2 -0.0006 0.0031 -0.0013 2823 MET 513 HE3 -0.0011 0.0025 0.0002 2824 LEU 514 N -0.0003 0.0072 -0.0005 2825 LEU 514 HN -0.0004 0.0075 0.0002 2826 LEU 514 CA -0.0000 0.0082 -0.0008 2827 LEU 514 HA -0.0002 0.0079 -0.0004 2828 LEU 514 C 0.0004 0.0083 -0.0022 2829 LEU 514 O 0.0005 0.0082 -0.0027 2830 LEU 514 CB -0.0000 0.0096 -0.0001 2831 LEU 514 HB2 -0.0004 0.0094 0.0009 2832 LEU 514 HB3 0.0001 0.0098 -0.0004 2833 LEU 514 CG 0.0002 0.0108 -0.0004 2834 LEU 514 HG 0.0005 0.0109 -0.0014 2835 LEU 514 CD1 0.0000 0.0107 0.0001 2836 LEU 514 HD11 -0.0003 0.0107 0.0012 2837 LEU 514 HD12 0.0000 0.0098 -0.0003 2838 LEU 514 HD13 0.0002 0.0116 -0.0002 2839 LEU 514 CD2 0.0002 0.0121 0.0002 2840 LEU 514 HD21 -0.0001 0.0121 0.0013 2841 LEU 514 HD22 0.0004 0.0130 -0.0001 2842 LEU 514 HD23 0.0003 0.0122 -0.0002 2843 LYS 515 N 0.0034 0.0097 -0.0042 2844 LYS 515 HN 0.0033 0.0098 -0.0034 2845 LYS 515 CA 0.0038 0.0098 -0.0058 2846 LYS 515 HA 0.0043 0.0107 -0.0063 2847 LYS 515 C 0.0034 0.0084 -0.0070 2848 LYS 515 O 0.0038 0.0085 -0.0084 2849 LYS 515 CB 0.0040 0.0102 -0.0058 2850 LYS 515 HB2 0.0042 0.0112 -0.0049 2851 LYS 515 HB3 0.0035 0.0093 -0.0053 2852 LYS 515 CG 0.0045 0.0106 -0.0073 2853 LYS 515 HG2 0.0043 0.0097 -0.0082 2854 LYS 515 HG3 0.0050 0.0115 -0.0078 2855 LYS 515 CD 0.0047 0.0112 -0.0072 2856 LYS 515 HD2 0.0050 0.0122 -0.0064 2857 LYS 515 HD3 0.0051 0.0115 -0.0083 2858 LYS 515 CE 0.0041 0.0102 -0.0065 2859 LYS 515 HE2 0.0037 0.0099 -0.0053 2860 LYS 515 HE3 0.0043 0.0107 -0.0064 2861 LYS 515 NZ 0.0037 0.0088 -0.0075 2862 LYS 515 HZ1 0.0036 0.0085 -0.0079 2863 LYS 515 HZ2 0.0032 0.0080 -0.0067 2864 LYS 515 HZ3 0.0039 0.0089 -0.0084 2865 HIS 516 N 0.0027 0.0071 -0.0064 2866 HIS 516 HN 0.0025 0.0071 -0.0052 2867 HIS 516 CA 0.0023 0.0058 -0.0073 2868 HIS 516 HA 0.0026 0.0058 -0.0085 2869 HIS 516 C 0.0024 0.0057 -0.0078 2870 HIS 516 O 0.0024 0.0052 -0.0091 2871 HIS 516 CB 0.0016 0.0044 -0.0066 2872 HIS 516 HB2 0.0013 0.0034 -0.0074 2873 HIS 516 HB3 0.0013 0.0043 -0.0055 2874 HIS 516 CG 0.0015 0.0045 -0.0062 2875 HIS 516 ND1 0.0009 0.0033 -0.0055 2876 HIS 516 HD1 0.0004 0.0024 -0.0053 2877 HIS 516 CD2 0.0020 0.0055 -0.0063 2878 HIS 516 HD2 0.0026 0.0066 -0.0067 2879 HIS 516 CE1 0.0010 0.0037 -0.0052 2880 HIS 516 HE1 0.0005 0.0031 -0.0046 2881 HIS 516 NE2 0.0016 0.0050 -0.0057 2882 HIS 516 HE2 0.0019 0.0056 -0.0055 2883 THR 517 N 0.0017 0.0058 -0.0070 2884 THR 517 HN 0.0014 0.0064 -0.0053 2885 THR 517 CA 0.0017 0.0060 -0.0070 2886 THR 517 HA 0.0014 0.0040 -0.0076 2887 THR 517 C 0.0027 0.0077 -0.0090 2888 THR 517 O 0.0027 0.0072 -0.0092 2889 THR 517 CB 0.0011 0.0066 -0.0041 2890 THR 517 HB 0.0013 0.0073 -0.0043 2891 THR 517 OG1 0.0012 0.0086 -0.0025 2892 THR 517 HG1 0.0018 0.0099 -0.0037 2893 THR 517 CG2 0.0000 0.0041 -0.0025 2894 THR 517 HG21 -0.0003 0.0032 -0.0023 2895 THR 517 HG22 -0.0001 0.0025 -0.0036 2896 THR 517 HG23 -0.0004 0.0045 -0.0005 2897 PRO 518 N 0.0037 0.0096 -0.0106 2898 PRO 518 CA 0.0045 0.0115 -0.0120 2899 PRO 518 HA 0.0043 0.0117 -0.0110 2900 PRO 518 C 0.0052 0.0108 -0.0149 2901 PRO 518 O 0.0053 0.0106 -0.0158 2902 PRO 518 CB 0.0051 0.0142 -0.0115 2903 PRO 518 HB2 0.0059 0.0156 -0.0130 2904 PRO 518 HB3 0.0048 0.0151 -0.0095 2905 PRO 518 CG 0.0049 0.0133 -0.0115 2906 PRO 518 HG2 0.0048 0.0146 -0.0100 2907 PRO 518 HG3 0.0055 0.0135 -0.0135 2908 PRO 518 CD 0.0039 0.0104 -0.0108 2909 PRO 518 HD2 0.0034 0.0103 -0.0088 2910 PRO 518 HD3 0.0040 0.0091 -0.0123 2911 VAL 519 N 0.0071 0.0121 -0.0172 2912 VAL 519 HN 0.0069 0.0127 -0.0166 2913 VAL 519 CA 0.0082 0.0111 -0.0203 2914 VAL 519 HA 0.0087 0.0125 -0.0211 2915 VAL 519 C 0.0079 0.0077 -0.0208 2916 VAL 519 CB 0.0090 0.0118 -0.0222 2917 VAL 519 HB 0.0095 0.0100 -0.0240 2918 VAL 519 CG1 0.0083 0.0116 -0.0205 2919 VAL 519 HG11 0.0080 0.0136 -0.0189 2920 VAL 519 HG12 0.0089 0.0117 -0.0220 2921 VAL 519 HG13 0.0075 0.0094 -0.0193 2922 VAL 519 CG2 0.0100 0.0149 -0.0236 2923 VAL 519 HG21 0.0097 0.0169 -0.0219 2924 VAL 519 HG22 0.0106 0.0150 -0.0250 2925 VAL 519 HG23 0.0107 0.0153 -0.0251 2926 VAL 519 O 0.0087 0.0070 -0.0231 2927 GLU 520 N 0.0067 0.0056 -0.0186 2928 GLU 520 HN 0.0061 0.0061 -0.0170 2929 GLU 520 CA 0.0062 0.0028 -0.0184 2930 GLU 520 HA 0.0068 0.0015 -0.0204 2931 GLU 520 C 0.0063 0.0033 -0.0184 2932 GLU 520 O 0.0062 0.0010 -0.0190 2933 GLU 520 CB 0.0049 0.0007 -0.0159 2934 GLU 520 HB2 0.0045 -0.0013 -0.0157 2935 GLU 520 HB3 0.0050 -0.0004 -0.0167 2936 GLU 520 CG 0.0039 0.0023 -0.0129 2937 GLU 520 HG2 0.0037 0.0034 -0.0120 2938 GLU 520 HG3 0.0042 0.0040 -0.0130 2939 GLU 520 CD 0.0027 -0.0001 -0.0107 2940 GLU 520 OE1 0.0017 -0.0003 -0.0083 2941 GLU 520 OE2 0.0027 -0.0019 -0.0113 2942 HIS 521 N 0.0070 0.0056 -0.0186 2943 HIS 521 HN 0.0069 0.0077 -0.0180 2944 HIS 521 CA 0.0073 0.0063 -0.0191 2945 HIS 521 HA 0.0066 0.0043 -0.0179 2946 HIS 521 C 0.0090 0.0061 -0.0224 2947 HIS 521 O 0.0091 0.0049 -0.0229 2948 HIS 521 CB 0.0068 0.0099 -0.0175 2949 HIS 521 HB2 0.0069 0.0101 -0.0178 2950 HIS 521 HB3 0.0076 0.0120 -0.0188 2951 HIS 521 CG 0.0051 0.0103 -0.0141 2952 HIS 521 ND1 0.0039 0.0079 -0.0119 2953 HIS 521 HD1 0.0040 0.0057 -0.0125 2954 HIS 521 CD2 0.0045 0.0128 -0.0125 2955 HIS 521 HD2 0.0052 0.0151 -0.0135 2956 HIS 521 CE1 0.0026 0.0088 -0.0092 2957 HIS 521 HE1 0.0015 0.0073 -0.0071 2958 HIS 521 NE2 0.0030 0.0118 -0.0095 2959 HIS 521 HE2 0.0022 0.0130 -0.0078 2960 GLU 522 N 0.0102 0.0072 -0.0248 2961 GLU 522 HN 0.0101 0.0082 -0.0244 2962 GLU 522 CA 0.0118 0.0067 -0.0282 2963 GLU 522 HA 0.0119 0.0071 -0.0284 2964 GLU 522 C 0.0122 0.0029 -0.0294 2965 GLU 522 O 0.0131 0.0017 -0.0315 2966 GLU 522 CB 0.0131 0.0094 -0.0304 2967 GLU 522 HB2 0.0143 0.0089 -0.0328 2968 GLU 522 HB3 0.0129 0.0120 -0.0296 2969 GLU 522 CG 0.0132 0.0097 -0.0305 2970 GLU 522 HG2 0.0132 0.0071 -0.0309 2971 GLU 522 HG3 0.0122 0.0109 -0.0282 2972 GLU 522 CD 0.0146 0.0121 -0.0331 2973 GLU 522 OE1 0.0159 0.0110 -0.0359 2974 GLU 522 OE2 0.0144 0.0151 -0.0323 2975 ASP 523 N 0.0115 0.0020 -0.0281 2976 ASP 523 HN 0.0110 0.0033 -0.0265 2977 ASP 523 CA 0.0109 -0.0020 -0.0284 2978 ASP 523 HA 0.0120 -0.0028 -0.0311 2979 ASP 523 C 0.0100 -0.0039 -0.0274 2980 ASP 523 O 0.0106 -0.0059 -0.0295 2981 ASP 523 CB 0.0097 -0.0036 -0.0266 2982 ASP 523 HB2 0.0095 -0.0066 -0.0273 2983 ASP 523 HB3 0.0084 -0.0033 -0.0238 2984 ASP 523 CG 0.0103 -0.0019 -0.0271 2985 ASP 523 OD1 0.0092 -0.0015 -0.0246 2986 ASP 523 OD2 0.0119 -0.0009 -0.0300 2987 ARG 524 N 0.0086 -0.0031 -0.0242 2988 ARG 524 HN 0.0081 -0.0019 -0.0225 2989 ARG 524 CA 0.0080 -0.0031 -0.0228 2990 ARG 524 HA 0.0083 -0.0002 -0.0223 2991 ARG 524 C 0.0060 -0.0045 -0.0193 2992 ARG 524 O 0.0053 -0.0069 -0.0187 2993 ARG 524 CB 0.0090 -0.0042 -0.0254 2994 ARG 524 HB2 0.0091 -0.0069 -0.0267 2995 ARG 524 HB3 0.0082 -0.0046 -0.0240 2996 ARG 524 CG 0.0108 -0.0012 -0.0279 2997 ARG 524 HG2 0.0111 0.0006 -0.0277 2998 ARG 524 HG3 0.0107 0.0005 -0.0269 2999 ARG 524 CD 0.0123 -0.0026 -0.0316 3000 ARG 524 HD2 0.0125 -0.0029 -0.0321 3001 ARG 524 HD3 0.0120 -0.0053 -0.0322 3002 ARG 524 NE 0.0138 0.0001 -0.0336 3003 ARG 524 HE 0.0136 0.0008 -0.0329 3004 ARG 524 CZ 0.0153 0.0022 -0.0359 3005 ARG 524 NH1 0.0158 0.0018 -0.0372 3006 ARG 524 HH11 0.0151 -0.0003 -0.0364 3007 ARG 524 HH12 0.0170 0.0033 -0.0390 3008 ARG 524 NH2 0.0163 0.0049 -0.0369 3009 ARG 524 HH21 0.0159 0.0052 -0.0359 3010 ARG 524 HH22 0.0174 0.0066 -0.0385 3011 GLU 525 N 0.0054 -0.0014 -0.0157 3012 GLU 525 HN 0.0058 -0.0003 -0.0165 3013 GLU 525 CA 0.0041 -0.0013 -0.0128 3014 GLU 525 HA 0.0037 -0.0033 -0.0122 3015 GLU 525 C 0.0038 0.0012 -0.0117 3016 GLU 525 O 0.0045 0.0034 -0.0130 3017 GLU 525 CB 0.0036 -0.0011 -0.0117 3018 GLU 525 HB2 0.0037 -0.0030 -0.0123 3019 GLU 525 HB3 0.0042 0.0008 -0.0126 3020 GLU 525 CG 0.0023 -0.0006 -0.0086 3021 GLU 525 HG2 0.0022 0.0015 -0.0080 3022 GLU 525 HG3 0.0021 -0.0007 -0.0081 3023 GLU 525 CD 0.0014 -0.0030 -0.0071 3024 GLU 525 OE1 0.0012 -0.0054 -0.0069 3025 GLU 525 OE2 0.0010 -0.0023 -0.0059 3026 ARG 526 N 0.0027 0.0009 -0.0093 3027 ARG 526 HN 0.0021 -0.0007 -0.0081 3028 ARG 526 CA 0.0023 0.0028 -0.0080 3029 ARG 526 HA 0.0030 0.0032 -0.0095 3030 ARG 526 C 0.0020 0.0056 -0.0070 3031 ARG 526 O 0.0015 0.0057 -0.0058 3032 ARG 526 CB 0.0011 0.0012 -0.0057 3033 ARG 526 HB2 0.0004 0.0011 -0.0041 3034 ARG 526 HB3 0.0009 0.0026 -0.0050 3035 ARG 526 CG 0.0012 -0.0018 -0.0063 3036 ARG 526 HG2 0.0003 -0.0026 -0.0044 3037 ARG 526 HG3 0.0013 -0.0033 -0.0068 3038 ARG 526 CD 0.0021 -0.0022 -0.0084 3039 ARG 526 HD2 0.0030 -0.0016 -0.0104 3040 ARG 526 HD3 0.0020 -0.0008 -0.0080 3041 ARG 526 NE 0.0019 -0.0053 -0.0085 3042 ARG 526 HE 0.0023 -0.0067 -0.0096 3043 ARG 526 CZ 0.0014 -0.0065 -0.0075 3044 ARG 526 NH1 0.0009 -0.0050 -0.0062 3045 ARG 526 HH11 0.0009 -0.0029 -0.0058 3046 ARG 526 HH12 0.0006 -0.0059 -0.0055 3047 ARG 526 NH2 0.0014 -0.0094 -0.0079 3048 ARG 526 HH21 0.0017 -0.0105 -0.0090 3049 ARG 526 HH22 0.0010 -0.0103 -0.0072 3050 LEU 527 N 0.0014 0.0076 -0.0076 3051 LEU 527 HN 0.0016 0.0077 -0.0082 3052 LEU 527 CA 0.0011 0.0100 -0.0072 3053 LEU 527 HA 0.0013 0.0100 -0.0078 3054 LEU 527 C 0.0002 0.0105 -0.0045 3055 LEU 527 O -0.0003 0.0116 -0.0034 3056 LEU 527 CB 0.0014 0.0121 -0.0086 3057 LEU 527 HB2 0.0021 0.0114 -0.0103 3058 LEU 527 HB3 0.0011 0.0124 -0.0077 3059 LEU 527 CG 0.0014 0.0147 -0.0089 3060 LEU 527 HG 0.0017 0.0158 -0.0101 3061 LEU 527 CD1 0.0006 0.0162 -0.0067 3062 LEU 527 HD11 0.0002 0.0154 -0.0055 3063 LEU 527 HD12 0.0003 0.0164 -0.0058 3064 LEU 527 HD13 0.0006 0.0181 -0.0071 3065 LEU 527 CD2 0.0019 0.0146 -0.0103 3066 LEU 527 HD21 0.0016 0.0137 -0.0093 3067 LEU 527 HD22 0.0019 0.0165 -0.0108 3068 LEU 527 HD23 0.0025 0.0136 -0.0120 3069 LEU 528 N -0.0002 0.0094 -0.0034 3070 LEU 528 HN 0.0002 0.0083 -0.0044 3071 LEU 528 CA -0.0010 0.0095 -0.0009 3072 LEU 528 HA -0.0013 0.0111 -0.0002 3073 LEU 528 C -0.0012 0.0098 -0.0003 3074 LEU 528 O -0.0015 0.0118 0.0003 3075 LEU 528 CB -0.0013 0.0071 0.0003 3076 LEU 528 HB2 -0.0010 0.0069 -0.0005 3077 LEU 528 HB3 -0.0010 0.0054 -0.0001 3078 LEU 528 CG -0.0022 0.0071 0.0030 3079 LEU 528 HG -0.0024 0.0087 0.0034 3080 LEU 528 CD1 -0.0023 0.0048 0.0038 3081 LEU 528 HD11 -0.0022 0.0031 0.0035 3082 LEU 528 HD12 -0.0020 0.0046 0.0027 3083 LEU 528 HD13 -0.0030 0.0048 0.0057 3084 LEU 528 CD2 -0.0028 0.0074 0.0046 3085 LEU 528 HD21 -0.0026 0.0060 0.0043 3086 LEU 528 HD22 -0.0034 0.0074 0.0065 3087 LEU 528 HD23 -0.0027 0.0093 0.0042 3088 ARG 529 N -0.0010 0.0068 0.0001 3089 ARG 529 HN -0.0008 0.0057 -0.0006 3090 ARG 529 CA -0.0015 0.0064 0.0014 3091 ARG 529 HA -0.0019 0.0066 0.0027 3092 ARG 529 C -0.0014 0.0079 0.0015 3093 ARG 529 O -0.0019 0.0081 0.0030 3094 ARG 529 CB -0.0015 0.0043 0.0013 3095 ARG 529 HB2 -0.0011 0.0040 -0.0001 3096 ARG 529 HB3 -0.0019 0.0041 0.0022 3097 ARG 529 CG -0.0018 0.0029 0.0017 3098 ARG 529 HG2 -0.0015 0.0034 0.0010 3099 ARG 529 HG3 -0.0023 0.0031 0.0032 3100 ARG 529 CD -0.0018 0.0008 0.0013 3101 ARG 529 HD2 -0.0022 0.0000 0.0025 3102 ARG 529 HD3 -0.0014 0.0006 0.0002 3103 ARG 529 NE -0.0016 -0.0001 0.0007 3104 ARG 529 HE -0.0020 -0.0009 0.0015 3105 ARG 529 CZ -0.0010 -0.0000 -0.0010 3106 ARG 529 NH1 -0.0005 0.0011 -0.0023 3107 ARG 529 HH11 -0.0006 0.0017 -0.0020 3108 ARG 529 HH12 -0.0001 0.0008 -0.0035 3109 ARG 529 NH2 -0.0009 -0.0010 -0.0016 3110 ARG 529 HH21 -0.0012 -0.0020 -0.0008 3111 ARG 529 HH22 -0.0004 -0.0010 -0.0030 3112 ALA 530 N -0.0008 0.0089 0.0000 3113 ALA 530 HN -0.0005 0.0087 -0.0011 3114 ALA 530 CA -0.0007 0.0105 -0.0001 3115 ALA 530 HA -0.0007 0.0098 -0.0002 3116 ALA 530 C -0.0012 0.0118 0.0015 3117 ALA 530 O -0.0014 0.0123 0.0021 3118 ALA 530 CB -0.0000 0.0116 -0.0018 3119 ALA 530 HB1 -0.0000 0.0123 -0.0018 3120 ALA 530 HB2 0.0003 0.0106 -0.0030 3121 ALA 530 HB3 0.0001 0.0127 -0.0020 3122 GLN 531 N -0.0020 0.0108 0.0018 3123 GLN 531 HN -0.0019 0.0107 0.0014 3124 GLN 531 CA -0.0022 0.0116 0.0032 3125 GLN 531 HA -0.0021 0.0126 0.0030 3126 GLN 531 C -0.0025 0.0109 0.0044 3127 GLN 531 O -0.0026 0.0116 0.0052 3128 GLN 531 CB -0.0023 0.0119 0.0036 3129 GLN 531 HB2 -0.0023 0.0110 0.0033 3130 GLN 531 HB3 -0.0025 0.0120 0.0048 3131 GLN 531 CG -0.0021 0.0133 0.0031 3132 GLN 531 HG2 -0.0022 0.0133 0.0032 3133 GLN 531 HG3 -0.0019 0.0134 0.0019 3134 GLN 531 CD -0.0022 0.0147 0.0038 3135 GLN 531 OE1 -0.0024 0.0146 0.0049 3136 GLN 531 NE2 -0.0021 0.0160 0.0033 3137 GLN 531 HE21 -0.0021 0.0169 0.0037 3138 GLN 531 HE22 -0.0019 0.0160 0.0024 3139 ARG 532 N -0.0025 0.0094 0.0045 3140 ARG 532 HN -0.0024 0.0089 0.0038 3141 ARG 532 CA -0.0028 0.0085 0.0055 3142 ARG 532 HA -0.0029 0.0090 0.0066 3143 ARG 532 C -0.0027 0.0086 0.0052 3144 ARG 532 O -0.0029 0.0088 0.0062 3145 ARG 532 CB -0.0028 0.0070 0.0055 3146 ARG 532 HB2 -0.0026 0.0065 0.0044 3147 ARG 532 HB3 -0.0030 0.0063 0.0063 3148 ARG 532 CG -0.0029 0.0068 0.0059 3149 ARG 532 HG2 -0.0029 0.0056 0.0056 3150 ARG 532 HG3 -0.0027 0.0074 0.0051 3151 ARG 532 CD -0.0032 0.0070 0.0074 3152 ARG 532 HD2 -0.0033 0.0070 0.0081 3153 ARG 532 HD3 -0.0033 0.0061 0.0078 3154 ARG 532 NE -0.0032 0.0084 0.0077 3155 ARG 532 HE -0.0030 0.0091 0.0069 3156 ARG 532 CZ -0.0034 0.0089 0.0090 3157 ARG 532 NH1 -0.0036 0.0082 0.0102 3158 ARG 532 HH11 -0.0037 0.0072 0.0101 3159 ARG 532 HH12 -0.0038 0.0085 0.0111 3160 ARG 532 NH2 -0.0034 0.0101 0.0091 3161 ARG 532 HH21 -0.0032 0.0106 0.0082 3162 ARG 532 HH22 -0.0035 0.0104 0.0100 3163 HIS 533 N -0.0021 0.0081 0.0041 3164 HIS 533 HN -0.0020 0.0079 0.0036 3165 HIS 533 CA -0.0020 0.0082 0.0035 3166 HIS 533 HA -0.0021 0.0077 0.0039 3167 HIS 533 C -0.0021 0.0094 0.0036 3168 HIS 533 O -0.0022 0.0095 0.0039 3169 HIS 533 CB -0.0018 0.0079 0.0023 3170 HIS 533 HB2 -0.0017 0.0081 0.0019 3171 HIS 533 HB3 -0.0017 0.0083 0.0019 3172 HIS 533 CG -0.0016 0.0067 0.0021 3173 HIS 533 ND1 -0.0014 0.0063 0.0012 3174 HIS 533 HD1 -0.0013 0.0066 0.0005 3175 HIS 533 CD2 -0.0017 0.0058 0.0027 3176 HIS 533 HD2 -0.0018 0.0057 0.0035 3177 HIS 533 CE1 -0.0013 0.0052 0.0012 3178 HIS 533 HE1 -0.0012 0.0046 0.0006 3179 HIS 533 NE2 -0.0015 0.0049 0.0022 3180 HIS 533 HE2 -0.0015 0.0041 0.0024 3181 ILE 534 N -0.0022 0.0103 0.0034 3182 ILE 534 HN -0.0021 0.0101 0.0032 3183 ILE 534 CA -0.0023 0.0114 0.0036 3184 ILE 534 HA -0.0022 0.0116 0.0031 3185 ILE 534 C -0.0025 0.0116 0.0048 3186 ILE 534 O -0.0026 0.0121 0.0049 3187 ILE 534 CB -0.0023 0.0122 0.0033 3188 ILE 534 HB -0.0023 0.0119 0.0037 3189 ILE 534 CG1 -0.0020 0.0122 0.0020 3190 ILE 534 HG12 -0.0019 0.0113 0.0018 3191 ILE 534 HG13 -0.0020 0.0127 0.0019 3192 ILE 534 CG2 -0.0024 0.0134 0.0036 3193 ILE 534 HG21 -0.0024 0.0138 0.0033 3194 ILE 534 HG22 -0.0026 0.0135 0.0045 3195 ILE 534 HG23 -0.0024 0.0140 0.0033 3196 ILE 534 CD1 -0.0019 0.0126 0.0012 3197 ILE 534 HD11 -0.0019 0.0120 0.0013 3198 ILE 534 HD12 -0.0020 0.0134 0.0014 3199 ILE 534 HD13 -0.0017 0.0125 0.0004 3200 HIS 535 N -0.0033 0.0107 0.0058 3201 HIS 535 HN -0.0033 0.0106 0.0056 3202 HIS 535 CA -0.0031 0.0108 0.0070 3203 HIS 535 HA -0.0030 0.0115 0.0071 3204 HIS 535 C -0.0030 0.0099 0.0073 3205 HIS 535 O -0.0029 0.0101 0.0078 3206 HIS 535 CB -0.0029 0.0108 0.0077 3207 HIS 535 HB2 -0.0028 0.0107 0.0085 3208 HIS 535 HB3 -0.0030 0.0102 0.0074 3209 HIS 535 CG -0.0029 0.0119 0.0076 3210 HIS 535 ND1 -0.0031 0.0122 0.0068 3211 HIS 535 HD1 -0.0032 0.0117 0.0062 3212 HIS 535 CD2 -0.0028 0.0127 0.0083 3213 HIS 535 HD2 -0.0027 0.0128 0.0090 3214 HIS 535 CE1 -0.0031 0.0132 0.0070 3215 HIS 535 HE1 -0.0032 0.0136 0.0065 3216 HIS 535 NE2 -0.0029 0.0135 0.0078 3217 HIS 535 HE2 -0.0028 0.0143 0.0081 3218 CYS 536 N -0.0030 0.0089 0.0071 3219 CYS 536 HN -0.0031 0.0087 0.0067 3220 CYS 536 CA -0.0030 0.0080 0.0073 3221 CYS 536 HA -0.0028 0.0080 0.0081 3222 CYS 536 C -0.0031 0.0081 0.0068 3223 CYS 536 O -0.0030 0.0079 0.0073 3224 CYS 536 CB -0.0030 0.0069 0.0071 3225 CYS 536 HB2 -0.0029 0.0068 0.0076 3226 CYS 536 HB3 -0.0030 0.0062 0.0073 3227 CYS 536 SG -0.0033 0.0066 0.0058 3228 CYS 536 HG -0.0033 0.0073 0.0058 3229 LEU 537 N -0.0028 0.0080 0.0060 3230 LEU 537 HN -0.0028 0.0079 0.0059 3231 LEU 537 CA -0.0028 0.0084 0.0057 3232 LEU 537 HA -0.0027 0.0081 0.0056 3233 LEU 537 C -0.0030 0.0089 0.0059 3234 LEU 537 O -0.0030 0.0090 0.0060 3235 LEU 537 CB -0.0027 0.0085 0.0051 3236 LEU 537 HB2 -0.0026 0.0081 0.0049 3237 LEU 537 HB3 -0.0028 0.0088 0.0052 3238 LEU 537 CG -0.0026 0.0088 0.0046 3239 LEU 537 HG -0.0028 0.0093 0.0048 3240 LEU 537 CD1 -0.0026 0.0085 0.0045 3241 LEU 537 HD11 -0.0025 0.0081 0.0043 3242 LEU 537 HD12 -0.0026 0.0085 0.0049 3243 LEU 537 HD13 -0.0025 0.0088 0.0042 3244 LEU 537 CD2 -0.0025 0.0089 0.0041 3245 LEU 537 HD21 -0.0024 0.0085 0.0039 3246 LEU 537 HD22 -0.0025 0.0092 0.0038 3247 LEU 537 HD23 -0.0026 0.0092 0.0042 3248 ALA 538 N -0.0031 0.0093 0.0061 3249 ALA 538 HN -0.0030 0.0092 0.0061 3250 ALA 538 CA -0.0032 0.0098 0.0065 3251 ALA 538 HA -0.0032 0.0101 0.0062 3252 ALA 538 C -0.0033 0.0097 0.0070 3253 ALA 538 O -0.0034 0.0100 0.0070 3254 ALA 538 CB -0.0033 0.0100 0.0067 3255 ALA 538 HB1 -0.0033 0.0098 0.0070 3256 ALA 538 HB2 -0.0033 0.0102 0.0063 3257 ALA 538 HB3 -0.0034 0.0104 0.0069 3258 VAL 539 N -0.0038 0.0078 0.0079 3259 VAL 539 HN -0.0038 0.0079 0.0079 3260 VAL 539 CA -0.0036 0.0075 0.0082 3261 VAL 539 HA -0.0035 0.0077 0.0083 3262 VAL 539 C -0.0035 0.0071 0.0079 3263 VAL 539 O -0.0034 0.0070 0.0080 3264 VAL 539 CB -0.0033 0.0074 0.0085 3265 VAL 539 HB -0.0034 0.0073 0.0083 3266 VAL 539 CG1 -0.0030 0.0071 0.0088 3267 VAL 539 HG11 -0.0030 0.0072 0.0090 3268 VAL 539 HG12 -0.0030 0.0068 0.0086 3269 VAL 539 HG13 -0.0029 0.0070 0.0090 3270 VAL 539 CG2 -0.0033 0.0079 0.0088 3271 VAL 539 HG21 -0.0033 0.0081 0.0090 3272 VAL 539 HG22 -0.0032 0.0078 0.0090 3273 VAL 539 HG23 -0.0035 0.0081 0.0086 3274 ALA 540 N -0.0036 0.0068 0.0076 3275 ALA 540 HN -0.0037 0.0069 0.0075 3276 ALA 540 CA -0.0036 0.0064 0.0073 3277 ALA 540 HA -0.0034 0.0061 0.0076 3278 ALA 540 C -0.0038 0.0065 0.0071 3279 ALA 540 O -0.0037 0.0062 0.0071 3280 ALA 540 CB -0.0037 0.0061 0.0070 3281 ALA 540 HB1 -0.0039 0.0064 0.0068 3282 ALA 540 HB2 -0.0035 0.0060 0.0072 3283 ALA 540 HB3 -0.0037 0.0058 0.0068 3284 ILE 541 N -0.0043 0.0055 0.0060 3285 ILE 541 HN -0.0044 0.0055 0.0061 3286 ILE 541 CA -0.0044 0.0054 0.0059 3287 ILE 541 HA -0.0044 0.0054 0.0059 3288 ILE 541 C -0.0044 0.0054 0.0059 3289 ILE 541 O -0.0044 0.0053 0.0058 3290 ILE 541 CB -0.0046 0.0054 0.0060 3291 ILE 541 HB -0.0046 0.0055 0.0061 3292 ILE 541 CG1 -0.0046 0.0055 0.0061 3293 ILE 541 HG12 -0.0046 0.0054 0.0060 3294 ILE 541 HG13 -0.0045 0.0055 0.0061 3295 ILE 541 CG2 -0.0047 0.0054 0.0059 3296 ILE 541 HG21 -0.0047 0.0053 0.0058 3297 ILE 541 HG22 -0.0047 0.0053 0.0059 3298 ILE 541 HG23 -0.0048 0.0054 0.0060 3299 ILE 541 CD1 -0.0047 0.0055 0.0061 3300 ILE 541 HD11 -0.0048 0.0054 0.0061 3301 ILE 541 HD12 -0.0047 0.0055 0.0062 3302 ILE 541 HD13 -0.0047 0.0055 0.0062 3303 ASN 542 N -0.0044 0.0054 0.0060 3304 ASN 542 HN -0.0044 0.0055 0.0061 3305 ASN 542 CA -0.0044 0.0054 0.0059 3306 ASN 542 HA -0.0045 0.0054 0.0059 3307 ASN 542 C -0.0043 0.0054 0.0058 3308 ASN 542 O -0.0043 0.0053 0.0057 3309 ASN 542 CB -0.0044 0.0055 0.0060 3310 ASN 542 HB2 -0.0043 0.0055 0.0061 3311 ASN 542 HB3 -0.0045 0.0055 0.0061 3312 ASN 542 CG -0.0045 0.0054 0.0060 3313 ASN 542 OD1 -0.0046 0.0054 0.0060 3314 ASN 542 ND2 -0.0043 0.0054 0.0060 3315 ASN 542 HD21 -0.0044 0.0054 0.0059 3316 ASN 542 HD22 -0.0042 0.0055 0.0060 3317 GLN 543 N -0.0043 0.0031 0.0072 3318 GLN 543 HN -0.0043 0.0033 0.0073 3319 GLN 543 CA -0.0041 0.0032 0.0069 3320 GLN 543 HA -0.0041 0.0031 0.0067 3321 GLN 543 C -0.0042 0.0031 0.0068 3322 GLN 543 O -0.0041 0.0030 0.0066 3323 GLN 543 CB -0.0039 0.0035 0.0069 3324 GLN 543 HB2 -0.0040 0.0037 0.0071 3325 GLN 543 HB3 -0.0038 0.0036 0.0068 3326 GLN 543 CG -0.0038 0.0036 0.0066 3327 GLN 543 HG2 -0.0036 0.0038 0.0066 3328 GLN 543 HG3 -0.0038 0.0035 0.0067 3329 GLN 543 CD -0.0037 0.0034 0.0063 3330 GLN 543 OE1 -0.0036 0.0035 0.0062 3331 GLN 543 NE2 -0.0038 0.0032 0.0062 3332 GLN 543 HE21 -0.0037 0.0031 0.0059 3333 GLN 543 HE22 -0.0039 0.0031 0.0063 3334 HIS 544 N -0.0043 0.0031 0.0071 3335 HIS 544 HN -0.0043 0.0032 0.0073 3336 HIS 544 CA -0.0044 0.0030 0.0071 3337 HIS 544 HA -0.0042 0.0031 0.0069 3338 HIS 544 C -0.0045 0.0027 0.0069 3339 HIS 544 O -0.0045 0.0026 0.0067 3340 HIS 544 CB -0.0045 0.0031 0.0074 3341 HIS 544 HB2 -0.0046 0.0030 0.0076 3342 HIS 544 HB3 -0.0043 0.0033 0.0074 3343 HIS 544 CG -0.0046 0.0030 0.0074 3344 HIS 544 ND1 -0.0047 0.0030 0.0077 3345 HIS 544 HD1 -0.0047 0.0031 0.0079 3346 HIS 544 CD2 -0.0046 0.0028 0.0072 3347 HIS 544 HD2 -0.0045 0.0027 0.0070 3348 HIS 544 CE1 -0.0048 0.0028 0.0076 3349 HIS 544 HE1 -0.0049 0.0028 0.0078 3350 HIS 544 NE2 -0.0047 0.0027 0.0074 3351 HIS 544 HE2 -0.0047 0.0026 0.0073 3352 LYS 545 N -0.0056 -0.0005 0.0058 3353 LYS 545 HN -0.0057 -0.0002 0.0058 3354 LYS 545 CA -0.0054 -0.0011 0.0057 3355 LYS 545 HA -0.0055 -0.0014 0.0061 3356 LYS 545 C -0.0050 -0.0013 0.0052 3357 LYS 545 O -0.0049 -0.0017 0.0053 3358 LYS 545 CB -0.0054 -0.0012 0.0058 3359 LYS 545 HB2 -0.0057 -0.0010 0.0061 3360 LYS 545 HB3 -0.0052 -0.0009 0.0054 3361 LYS 545 CG -0.0052 -0.0019 0.0058 3362 LYS 545 HG2 -0.0050 -0.0021 0.0055 3363 LYS 545 HG3 -0.0055 -0.0021 0.0062 3364 LYS 545 CD -0.0051 -0.0020 0.0057 3365 LYS 545 HD2 -0.0054 -0.0018 0.0060 3366 LYS 545 HD3 -0.0050 -0.0024 0.0057 3367 LYS 545 CE -0.0049 -0.0017 0.0051 3368 LYS 545 HE2 -0.0049 -0.0012 0.0051 3369 LYS 545 HE3 -0.0048 -0.0017 0.0051 3370 LYS 545 NZ -0.0045 -0.0019 0.0047 3371 LYS 545 HZ1 -0.0044 -0.0015 0.0044 3372 LYS 545 HZ2 -0.0043 -0.0022 0.0045 3373 LYS 545 HZ3 -0.0045 -0.0022 0.0048 3374 ASP 546 N -0.0048 -0.0010 0.0048 3375 ASP 546 HN -0.0049 -0.0007 0.0048 3376 ASP 546 CA -0.0044 -0.0011 0.0043 3377 ASP 546 HA -0.0043 -0.0016 0.0042 3378 ASP 546 C -0.0044 -0.0011 0.0042 3379 ASP 546 O -0.0042 -0.0015 0.0040 3380 ASP 546 CB -0.0043 -0.0006 0.0039 3381 ASP 546 HB2 -0.0040 -0.0006 0.0035 3382 ASP 546 HB3 -0.0045 -0.0002 0.0040 3383 ASP 546 CG -0.0042 -0.0008 0.0038 3384 ASP 546 OD1 -0.0044 -0.0010 0.0041 3385 ASP 546 OD2 -0.0039 -0.0006 0.0033 3386 GLY 547 N -0.0043 -0.0008 0.0053 3387 GLY 547 HN -0.0046 -0.0003 0.0055 3388 GLY 547 CA -0.0041 -0.0011 0.0052 3389 GLY 547 HA2 -0.0036 -0.0011 0.0049 3390 GLY 547 HA3 -0.0043 -0.0007 0.0053 3391 GLY 547 C -0.0044 -0.0019 0.0052 3392 GLY 547 O -0.0040 -0.0023 0.0050 3393 SER 548 N -0.0051 -0.0020 0.0055 3394 SER 548 HN -0.0054 -0.0016 0.0057 3395 SER 548 CA -0.0054 -0.0028 0.0056 3396 SER 548 HA -0.0053 -0.0030 0.0055 3397 SER 548 C -0.0051 -0.0033 0.0053 3398 SER 548 O -0.0049 -0.0039 0.0051 3399 SER 548 CB -0.0062 -0.0027 0.0059 3400 SER 548 HB2 -0.0064 -0.0026 0.0060 3401 SER 548 HB3 -0.0064 -0.0023 0.0061 3402 SER 548 OG -0.0066 -0.0034 0.0060 3403 SER 548 HG -0.0065 -0.0038 0.0059 3404 GLU 549 N -0.0048 -0.0051 0.0045 3405 GLU 549 HN -0.0048 -0.0049 0.0045 3406 GLU 549 CA -0.0045 -0.0053 0.0044 3407 GLU 549 HA -0.0045 -0.0055 0.0046 3408 GLU 549 C -0.0043 -0.0054 0.0043 3409 GLU 549 O -0.0042 -0.0056 0.0043 3410 GLU 549 CB -0.0044 -0.0053 0.0042 3411 GLU 549 HB2 -0.0044 -0.0050 0.0041 3412 GLU 549 HB3 -0.0042 -0.0054 0.0041 3413 GLU 549 CG -0.0045 -0.0053 0.0044 3414 GLU 549 HG2 -0.0047 -0.0051 0.0045 3415 GLU 549 HG3 -0.0045 -0.0055 0.0045 3416 GLU 549 CD -0.0044 -0.0052 0.0042 3417 GLU 549 OE1 -0.0042 -0.0054 0.0041 3418 GLU 549 OE2 -0.0045 -0.0050 0.0042 3419 GLN 550 N -0.0043 -0.0051 0.0041 3420 GLN 550 HN -0.0045 -0.0049 0.0040 3421 GLN 550 CA -0.0042 -0.0051 0.0039 3422 GLN 550 HA -0.0040 -0.0053 0.0038 3423 GLN 550 C -0.0043 -0.0052 0.0041 3424 GLN 550 O -0.0041 -0.0053 0.0039 3425 GLN 550 CB -0.0042 -0.0048 0.0037 3426 GLN 550 HB2 -0.0044 -0.0046 0.0038 3427 GLN 550 HB3 -0.0042 -0.0047 0.0036 3428 GLN 550 CG -0.0040 -0.0047 0.0034 3429 GLN 550 HG2 -0.0041 -0.0044 0.0033 3430 GLN 550 HG3 -0.0040 -0.0048 0.0035 3431 GLN 550 CD -0.0038 -0.0048 0.0032 3432 GLN 550 OE1 -0.0036 -0.0051 0.0032 3433 GLN 550 NE2 -0.0037 -0.0046 0.0029 3434 GLN 550 HE21 -0.0035 -0.0046 0.0028 3435 GLN 550 HE22 -0.0038 -0.0044 0.0029 3436 MET 551 N -0.0049 -0.0057 0.0041 3437 MET 551 HN -0.0051 -0.0055 0.0042 3438 MET 551 CA -0.0049 -0.0061 0.0043 3439 MET 551 HA -0.0047 -0.0061 0.0041 3440 MET 551 C -0.0048 -0.0067 0.0043 3441 MET 551 O -0.0045 -0.0070 0.0043 3442 MET 551 CB -0.0055 -0.0061 0.0046 3443 MET 551 HB2 -0.0055 -0.0064 0.0047 3444 MET 551 HB3 -0.0057 -0.0062 0.0048 3445 MET 551 CG -0.0057 -0.0056 0.0046 3446 MET 551 HG2 -0.0057 -0.0052 0.0045 3447 MET 551 HG3 -0.0055 -0.0055 0.0044 3448 MET 551 SD -0.0063 -0.0056 0.0050 3449 MET 551 CE -0.0061 -0.0059 0.0050 3450 MET 551 HE1 -0.0064 -0.0060 0.0052 3451 MET 551 HE2 -0.0059 -0.0057 0.0048 3452 MET 551 HE3 -0.0059 -0.0063 0.0050 3453 GLU 552 N -0.0049 -0.0068 0.0045 3454 GLU 552 HN -0.0052 -0.0065 0.0046 3455 GLU 552 CA -0.0048 -0.0073 0.0046 3456 GLU 552 HA -0.0049 -0.0076 0.0048 3457 GLU 552 C -0.0043 -0.0074 0.0043 3458 GLU 552 O -0.0041 -0.0078 0.0043 3459 GLU 552 CB -0.0052 -0.0072 0.0048 3460 GLU 552 HB2 -0.0051 -0.0068 0.0046 3461 GLU 552 HB3 -0.0051 -0.0076 0.0049 3462 GLU 552 CG -0.0057 -0.0071 0.0051 3463 GLU 552 HG2 -0.0059 -0.0069 0.0052 3464 GLU 552 HG3 -0.0058 -0.0068 0.0051 3465 GLU 552 CD -0.0059 -0.0076 0.0054 3466 GLU 552 OE1 -0.0062 -0.0078 0.0057 3467 GLU 552 OE2 -0.0057 -0.0079 0.0054 3468 GLN 553 N -0.0044 -0.0071 0.0040 3469 GLN 553 HN -0.0044 -0.0069 0.0041 3470 GLN 553 CA -0.0043 -0.0072 0.0039 3471 GLN 553 HA -0.0043 -0.0074 0.0039 3472 GLN 553 C -0.0041 -0.0072 0.0036 3473 GLN 553 O -0.0041 -0.0074 0.0035 3474 GLN 553 CB -0.0043 -0.0071 0.0039 3475 GLN 553 HB2 -0.0043 -0.0073 0.0039 3476 GLN 553 HB3 -0.0044 -0.0071 0.0041 3477 GLN 553 CG -0.0042 -0.0069 0.0038 3478 GLN 553 HG2 -0.0042 -0.0067 0.0038 3479 GLN 553 HG3 -0.0043 -0.0068 0.0039 3480 GLN 553 CD -0.0041 -0.0069 0.0036 3481 GLN 553 OE1 -0.0041 -0.0071 0.0035 3482 GLN 553 NE2 -0.0040 -0.0068 0.0034 3483 GLN 553 HE21 -0.0039 -0.0068 0.0032 3484 GLN 553 HE22 -0.0040 -0.0066 0.0034 3485 ARG 554 N -0.0041 -0.0070 0.0035 3486 ARG 554 HN -0.0042 -0.0068 0.0037 3487 ARG 554 CA -0.0040 -0.0069 0.0033 3488 ARG 554 HA -0.0039 -0.0069 0.0032 3489 ARG 554 C -0.0039 -0.0071 0.0031 3490 ARG 554 O -0.0039 -0.0072 0.0032 3491 ARG 554 CB -0.0039 -0.0066 0.0033 3492 ARG 554 HB2 -0.0040 -0.0065 0.0034 3493 ARG 554 HB3 -0.0040 -0.0066 0.0034 3494 ARG 554 CG -0.0038 -0.0065 0.0030 3495 ARG 554 HG2 -0.0038 -0.0065 0.0029 3496 ARG 554 HG3 -0.0038 -0.0066 0.0029 3497 ARG 554 CD -0.0038 -0.0062 0.0031 3498 ARG 554 HD2 -0.0039 -0.0061 0.0032 3499 ARG 554 HD3 -0.0037 -0.0061 0.0029 3500 ARG 554 NE -0.0038 -0.0062 0.0031 3501 ARG 554 HE -0.0037 -0.0062 0.0029 3502 ARG 554 CZ -0.0039 -0.0061 0.0032 3503 ARG 554 NH1 -0.0040 -0.0060 0.0035 3504 ARG 554 HH11 -0.0040 -0.0061 0.0035 3505 ARG 554 HH12 -0.0041 -0.0060 0.0036 3506 ARG 554 NH2 -0.0039 -0.0060 0.0032 3507 ARG 554 HH21 -0.0038 -0.0060 0.0030 3508 ARG 554 HH22 -0.0039 -0.0058 0.0033 3509 LEU 555 N -0.0040 -0.0070 0.0040 3510 LEU 555 HN -0.0039 -0.0068 0.0040 3511 LEU 555 CA -0.0038 -0.0071 0.0041 3512 LEU 555 HA -0.0038 -0.0072 0.0041 3513 LEU 555 C -0.0038 -0.0073 0.0042 3514 LEU 555 O -0.0039 -0.0072 0.0041 3515 LEU 555 CB -0.0036 -0.0070 0.0040 3516 LEU 555 HB2 -0.0036 -0.0069 0.0040 3517 LEU 555 HB3 -0.0036 -0.0070 0.0040 3518 LEU 555 CG -0.0034 -0.0072 0.0041 3519 LEU 555 HG -0.0034 -0.0073 0.0041 3520 LEU 555 CD1 -0.0034 -0.0072 0.0041 3521 LEU 555 HD11 -0.0034 -0.0071 0.0041 3522 LEU 555 HD12 -0.0035 -0.0073 0.0042 3523 LEU 555 HD13 -0.0033 -0.0073 0.0041 3524 LEU 555 CD2 -0.0032 -0.0071 0.0040 3525 LEU 555 HD21 -0.0032 -0.0070 0.0040 3526 LEU 555 HD22 -0.0031 -0.0072 0.0041 3527 LEU 555 HD23 -0.0032 -0.0070 0.0040 3528 ARG 556 N -0.0038 -0.0074 0.0042 3529 ARG 556 HN -0.0038 -0.0075 0.0042 3530 ARG 556 CA -0.0038 -0.0076 0.0043 3531 ARG 556 HA -0.0039 -0.0076 0.0043 3532 ARG 556 C -0.0037 -0.0076 0.0043 3533 ARG 556 O -0.0038 -0.0077 0.0043 3534 ARG 556 CB -0.0037 -0.0078 0.0044 3535 ARG 556 HB2 -0.0037 -0.0077 0.0043 3536 ARG 556 HB3 -0.0035 -0.0078 0.0044 3537 ARG 556 CG -0.0038 -0.0080 0.0045 3538 ARG 556 HG2 -0.0038 -0.0080 0.0045 3539 ARG 556 HG3 -0.0037 -0.0080 0.0045 3540 ARG 556 CD -0.0040 -0.0079 0.0045 3541 ARG 556 HD2 -0.0041 -0.0079 0.0044 3542 ARG 556 HD3 -0.0041 -0.0079 0.0044 3543 ARG 556 NE -0.0041 -0.0081 0.0046 3544 ARG 556 HE -0.0040 -0.0082 0.0046 3545 ARG 556 CZ -0.0043 -0.0082 0.0046 3546 ARG 556 NH1 -0.0044 -0.0081 0.0046 3547 ARG 556 HH11 -0.0044 -0.0079 0.0045 3548 ARG 556 HH12 -0.0046 -0.0081 0.0046 3549 ARG 556 NH2 -0.0043 -0.0084 0.0047 3550 ARG 556 HH21 -0.0042 -0.0084 0.0047 3551 ARG 556 HH22 -0.0044 -0.0084 0.0047 3552 GLU 557 N -0.0031 -0.0071 0.0027 3553 GLU 557 HN -0.0030 -0.0071 0.0027 3554 GLU 557 CA -0.0028 -0.0070 0.0026 3555 GLU 557 HA -0.0028 -0.0072 0.0025 3556 GLU 557 C -0.0029 -0.0067 0.0026 3557 GLU 557 O -0.0028 -0.0067 0.0026 3558 GLU 557 CB -0.0026 -0.0069 0.0025 3559 GLU 557 HB2 -0.0026 -0.0071 0.0025 3560 GLU 557 HB3 -0.0026 -0.0067 0.0025 3561 GLU 557 CG -0.0023 -0.0069 0.0023 3562 GLU 557 HG2 -0.0023 -0.0067 0.0023 3563 GLU 557 HG3 -0.0022 -0.0068 0.0023 3564 GLU 557 CD -0.0022 -0.0072 0.0023 3565 GLU 557 OE1 -0.0022 -0.0074 0.0022 3566 GLU 557 OE2 -0.0021 -0.0073 0.0022 3567 ILE 558 N -0.0030 -0.0065 0.0027 3568 ILE 558 HN -0.0031 -0.0065 0.0028 3569 ILE 558 CA -0.0031 -0.0062 0.0028 3570 ILE 558 HA -0.0029 -0.0062 0.0027 3571 ILE 558 C -0.0034 -0.0063 0.0029 3572 ILE 558 O -0.0035 -0.0061 0.0030 3573 ILE 558 CB -0.0030 -0.0059 0.0028 3574 ILE 558 HB -0.0028 -0.0059 0.0027 3575 ILE 558 CG1 -0.0030 -0.0056 0.0028 3576 ILE 558 HG12 -0.0033 -0.0056 0.0029 3577 ILE 558 HG13 -0.0029 -0.0057 0.0028 3578 ILE 558 CG2 -0.0032 -0.0059 0.0029 3579 ILE 558 HG21 -0.0034 -0.0059 0.0030 3580 ILE 558 HG22 -0.0032 -0.0061 0.0029 3581 ILE 558 HG23 -0.0032 -0.0057 0.0029 3582 ILE 558 CD1 -0.0029 -0.0053 0.0028 3583 ILE 558 HD11 -0.0031 -0.0053 0.0029 3584 ILE 558 HD12 -0.0027 -0.0054 0.0027 3585 ILE 558 HD13 -0.0029 -0.0052 0.0028 3586 GLU 559 N -0.0032 -0.0071 0.0019 3587 GLU 559 HN -0.0033 -0.0074 0.0016 3588 GLU 559 CA -0.0033 -0.0071 0.0020 3589 GLU 559 HA -0.0034 -0.0075 0.0017 3590 GLU 559 C -0.0037 -0.0072 0.0025 3591 GLU 559 O -0.0037 -0.0069 0.0028 3592 GLU 559 CB -0.0029 -0.0068 0.0018 3593 GLU 559 HB2 -0.0028 -0.0064 0.0022 3594 GLU 559 HB3 -0.0030 -0.0068 0.0019 3595 GLU 559 CG -0.0025 -0.0067 0.0013 3596 GLU 559 HG2 -0.0024 -0.0066 0.0012 3597 GLU 559 HG3 -0.0025 -0.0070 0.0010 3598 GLU 559 CD -0.0021 -0.0062 0.0013 3599 GLU 559 OE1 -0.0020 -0.0063 0.0012 3600 GLU 559 OE2 -0.0019 -0.0058 0.0015 3601 ALA 560 N -0.0041 -0.0075 0.0026 3602 ALA 560 HN -0.0041 -0.0078 0.0024 3603 ALA 560 CA -0.0045 -0.0076 0.0031 3604 ALA 560 HA -0.0045 -0.0075 0.0032 3605 ALA 560 C -0.0049 -0.0082 0.0030 3606 ALA 560 O -0.0049 -0.0085 0.0025 3607 ALA 560 CB -0.0046 -0.0074 0.0035 3608 ALA 560 HB1 -0.0046 -0.0075 0.0034 3609 ALA 560 HB2 -0.0044 -0.0070 0.0037 3610 ALA 560 HB3 -0.0050 -0.0075 0.0039 3611 ILE 561 N -0.0045 -0.0079 0.0047 3612 ILE 561 HN -0.0045 -0.0078 0.0046 3613 ILE 561 CA -0.0045 -0.0080 0.0047 3614 ILE 561 HA -0.0045 -0.0081 0.0048 3615 ILE 561 C -0.0043 -0.0079 0.0047 3616 ILE 561 O -0.0043 -0.0080 0.0048 3617 ILE 561 CB -0.0047 -0.0080 0.0046 3618 ILE 561 HB -0.0047 -0.0079 0.0046 3619 ILE 561 CG1 -0.0049 -0.0081 0.0047 3620 ILE 561 HG12 -0.0049 -0.0081 0.0046 3621 ILE 561 HG13 -0.0050 -0.0081 0.0046 3622 ILE 561 CG2 -0.0047 -0.0080 0.0046 3623 ILE 561 HG21 -0.0047 -0.0081 0.0047 3624 ILE 561 HG22 -0.0046 -0.0079 0.0046 3625 ILE 561 HG23 -0.0049 -0.0080 0.0046 3626 ILE 561 CD1 -0.0048 -0.0083 0.0048 3627 ILE 561 HD11 -0.0047 -0.0083 0.0049 3628 ILE 561 HD12 -0.0048 -0.0084 0.0049 3629 ILE 561 HD13 -0.0050 -0.0084 0.0048 3630 VAL 562 N -0.0042 -0.0078 0.0047 3631 VAL 562 HN -0.0042 -0.0077 0.0046 3632 VAL 562 CA -0.0040 -0.0077 0.0047 3633 VAL 562 HA -0.0040 -0.0077 0.0047 3634 VAL 562 C -0.0038 -0.0078 0.0048 3635 VAL 562 O -0.0037 -0.0078 0.0048 3636 VAL 562 CB -0.0040 -0.0075 0.0046 3637 VAL 562 HB -0.0040 -0.0075 0.0046 3638 VAL 562 CG1 -0.0041 -0.0074 0.0045 3639 VAL 562 HG11 -0.0041 -0.0074 0.0045 3640 VAL 562 HG12 -0.0041 -0.0072 0.0044 3641 VAL 562 HG13 -0.0043 -0.0074 0.0045 3642 VAL 562 CG2 -0.0037 -0.0074 0.0046 3643 VAL 562 HG21 -0.0036 -0.0074 0.0047 3644 VAL 562 HG22 -0.0036 -0.0074 0.0047 3645 VAL 562 HG23 -0.0037 -0.0072 0.0045 3646 ASP 563 N -0.0036 -0.0075 0.0052 3647 ASP 563 HN -0.0036 -0.0074 0.0051 3648 ASP 563 CA -0.0035 -0.0076 0.0054 3649 ASP 563 HA -0.0035 -0.0077 0.0055 3650 ASP 563 C -0.0034 -0.0073 0.0055 3651 ASP 563 O -0.0034 -0.0071 0.0054 3652 ASP 563 CB -0.0036 -0.0077 0.0054 3653 ASP 563 HB2 -0.0036 -0.0076 0.0053 3654 ASP 563 HB3 -0.0037 -0.0078 0.0052 3655 ASP 563 CG -0.0036 -0.0079 0.0056 3656 ASP 563 OD1 -0.0034 -0.0078 0.0058 3657 ASP 563 OD2 -0.0036 -0.0081 0.0055 3658 GLY 564 N -0.0033 -0.0073 0.0057 3659 GLY 564 HN -0.0033 -0.0075 0.0058 3660 GLY 564 CA -0.0032 -0.0071 0.0059 3661 GLY 564 HA2 -0.0032 -0.0072 0.0061 3662 GLY 564 HA3 -0.0032 -0.0071 0.0059 3663 GLY 564 C -0.0032 -0.0069 0.0058 3664 GLY 564 O -0.0031 -0.0067 0.0058 3665 LEU 565 N -0.0037 -0.0067 0.0052 3666 LEU 565 HN -0.0037 -0.0068 0.0052 3667 LEU 565 CA -0.0037 -0.0066 0.0052 3668 LEU 565 HA -0.0037 -0.0065 0.0052 3669 LEU 565 C -0.0037 -0.0066 0.0054 3670 LEU 565 O -0.0037 -0.0067 0.0055 3671 LEU 565 CB -0.0037 -0.0067 0.0051 3672 LEU 565 HB2 -0.0037 -0.0068 0.0050 3673 LEU 565 HB3 -0.0037 -0.0068 0.0052 3674 LEU 565 CG -0.0037 -0.0067 0.0051 3675 LEU 565 HG -0.0037 -0.0066 0.0049 3676 LEU 565 CD1 -0.0037 -0.0068 0.0051 3677 LEU 565 HD11 -0.0037 -0.0068 0.0052 3678 LEU 565 HD12 -0.0036 -0.0069 0.0050 3679 LEU 565 HD13 -0.0037 -0.0068 0.0050 3680 LEU 565 CD2 -0.0037 -0.0065 0.0051 3681 LEU 565 HD21 -0.0037 -0.0065 0.0053 3682 LEU 565 HD22 -0.0037 -0.0065 0.0051 3683 LEU 565 HD23 -0.0037 -0.0064 0.0051 3684 ASP 566 N -0.0038 -0.0065 0.0055 3685 ASP 566 HN -0.0038 -0.0064 0.0054 3686 ASP 566 CA -0.0038 -0.0066 0.0056 3687 ASP 566 HA -0.0038 -0.0066 0.0057 3688 ASP 566 C -0.0037 -0.0067 0.0056 3689 ASP 566 O -0.0037 -0.0068 0.0055 3690 ASP 566 CB -0.0038 -0.0064 0.0057 3691 ASP 566 HB2 -0.0038 -0.0063 0.0057 3692 ASP 566 HB3 -0.0038 -0.0064 0.0058 3693 ASP 566 CG -0.0038 -0.0063 0.0056 3694 ASP 566 OD1 -0.0038 -0.0062 0.0055 3695 ASP 566 OD2 -0.0038 -0.0064 0.0055 3696 ASP 567 N -0.0045 -0.0065 0.0047 3697 ASP 567 HN -0.0045 -0.0065 0.0047 3698 ASP 567 CA -0.0044 -0.0067 0.0047 3699 ASP 567 HA -0.0044 -0.0067 0.0047 3700 ASP 567 C -0.0044 -0.0067 0.0047 3701 ASP 567 O -0.0044 -0.0067 0.0047 3702 ASP 567 CB -0.0045 -0.0067 0.0048 3703 ASP 567 HB2 -0.0046 -0.0067 0.0049 3704 ASP 567 HB3 -0.0046 -0.0066 0.0048 3705 ASP 567 CG -0.0044 -0.0068 0.0048 3706 ASP 567 OD1 -0.0044 -0.0069 0.0049 3707 ASP 567 OD2 -0.0044 -0.0068 0.0048 3708 LEU 568 N -0.0043 -0.0068 0.0047 3709 LEU 568 HN -0.0043 -0.0068 0.0047 3710 LEU 568 CA -0.0042 -0.0069 0.0046 3711 LEU 568 HA -0.0042 -0.0069 0.0046 3712 LEU 568 C -0.0042 -0.0070 0.0047 3713 LEU 568 O -0.0042 -0.0070 0.0047 3714 LEU 568 CB -0.0041 -0.0070 0.0046 3715 LEU 568 HB2 -0.0040 -0.0070 0.0045 3716 LEU 568 HB3 -0.0041 -0.0069 0.0045 3717 LEU 568 CG -0.0041 -0.0071 0.0046 3718 LEU 568 HG -0.0041 -0.0072 0.0047 3719 LEU 568 CD1 -0.0039 -0.0071 0.0046 3720 LEU 568 HD11 -0.0039 -0.0071 0.0045 3721 LEU 568 HD12 -0.0039 -0.0072 0.0045 3722 LEU 568 HD13 -0.0039 -0.0072 0.0046 3723 LEU 568 CD2 -0.0041 -0.0071 0.0047 3724 LEU 568 HD21 -0.0041 -0.0070 0.0046 3725 LEU 568 HD22 -0.0041 -0.0071 0.0047 3726 LEU 568 HD23 -0.0042 -0.0070 0.0047 3727 VAL 569 N -0.0044 -0.0076 0.0051 3728 VAL 569 HN -0.0045 -0.0076 0.0052 3729 VAL 569 CA -0.0045 -0.0078 0.0052 3730 VAL 569 HA -0.0044 -0.0079 0.0051 3731 VAL 569 C -0.0045 -0.0077 0.0052 3732 VAL 569 O -0.0045 -0.0078 0.0052 3733 VAL 569 CB -0.0046 -0.0079 0.0053 3734 VAL 569 HB -0.0046 -0.0081 0.0054 3735 VAL 569 CG1 -0.0047 -0.0078 0.0055 3736 VAL 569 HG11 -0.0047 -0.0077 0.0055 3737 VAL 569 HG12 -0.0048 -0.0079 0.0056 3738 VAL 569 HG13 -0.0048 -0.0077 0.0056 3739 VAL 569 CG2 -0.0045 -0.0081 0.0053 3740 VAL 569 HG21 -0.0045 -0.0080 0.0052 3741 VAL 569 HG22 -0.0044 -0.0082 0.0052 3742 VAL 569 HG23 -0.0046 -0.0082 0.0054 3743 THR 570 N -0.0046 -0.0075 0.0053 3744 THR 570 HN -0.0047 -0.0074 0.0053 3745 THR 570 CA -0.0047 -0.0073 0.0053 3746 THR 570 HA -0.0048 -0.0074 0.0054 3747 THR 570 C -0.0046 -0.0073 0.0052 3748 THR 570 O -0.0046 -0.0073 0.0052 3749 THR 570 CB -0.0048 -0.0071 0.0054 3750 THR 570 HB -0.0047 -0.0070 0.0052 3751 THR 570 OG1 -0.0049 -0.0071 0.0055 3752 THR 570 HG1 -0.0050 -0.0071 0.0056 3753 THR 570 CG2 -0.0049 -0.0069 0.0054 3754 THR 570 HG21 -0.0049 -0.0070 0.0055 3755 THR 570 HG22 -0.0048 -0.0069 0.0053 3756 THR 570 HG23 -0.0049 -0.0068 0.0054 3757 LYS 571 N -0.0045 -0.0073 0.0048 3758 LYS 571 HN -0.0046 -0.0073 0.0049 3759 LYS 571 CA -0.0043 -0.0072 0.0047 3760 LYS 571 HA -0.0042 -0.0072 0.0047 3761 LYS 571 C -0.0043 -0.0074 0.0044 3762 LYS 571 O -0.0042 -0.0073 0.0043 3763 LYS 571 CB -0.0042 -0.0071 0.0048 3764 LYS 571 HB2 -0.0044 -0.0072 0.0048 3765 LYS 571 HB3 -0.0041 -0.0071 0.0047 3766 LYS 571 CG -0.0042 -0.0069 0.0050 3767 LYS 571 HG2 -0.0040 -0.0069 0.0050 3768 LYS 571 HG3 -0.0043 -0.0070 0.0052 3769 LYS 571 CD -0.0041 -0.0068 0.0052 3770 LYS 571 HD2 -0.0040 -0.0067 0.0053 3771 LYS 571 HD3 -0.0040 -0.0068 0.0050 3772 LYS 571 CE -0.0043 -0.0069 0.0053 3773 LYS 571 HE2 -0.0042 -0.0068 0.0054 3774 LYS 571 HE3 -0.0044 -0.0070 0.0052 3775 LYS 571 NZ -0.0044 -0.0068 0.0055 3776 LYS 571 HZ1 -0.0043 -0.0067 0.0056 3777 LYS 571 HZ2 -0.0045 -0.0068 0.0057 3778 LYS 571 HZ3 -0.0045 -0.0069 0.0055 3779 ASP 572 N -0.0045 -0.0075 0.0044 3780 ASP 572 HN -0.0046 -0.0076 0.0045 3781 ASP 572 CA -0.0045 -0.0077 0.0041 3782 ASP 572 HA -0.0047 -0.0078 0.0041 3783 ASP 572 C -0.0046 -0.0078 0.0041 3784 ASP 572 O -0.0047 -0.0077 0.0043 3785 ASP 572 CB -0.0044 -0.0077 0.0039 3786 ASP 572 HB2 -0.0044 -0.0078 0.0037 3787 ASP 572 HB3 -0.0042 -0.0076 0.0039 3788 ASP 572 CG -0.0043 -0.0077 0.0039 3789 ASP 572 OD1 -0.0041 -0.0076 0.0039 3790 ASP 572 OD2 -0.0045 -0.0078 0.0039 3791 ARG 573 N -0.0044 -0.0080 0.0009 3792 ARG 573 HN -0.0045 -0.0083 0.0012 3793 ARG 573 CA -0.0042 -0.0073 0.0016 3794 ARG 573 HA -0.0040 -0.0068 0.0012 3795 ARG 573 C -0.0045 -0.0078 0.0025 3796 ARG 573 O -0.0048 -0.0085 0.0029 3797 ARG 573 CB -0.0041 -0.0066 0.0022 3798 ARG 573 HB2 -0.0039 -0.0063 0.0015 3799 ARG 573 HB3 -0.0043 -0.0071 0.0025 3800 ARG 573 CG -0.0039 -0.0058 0.0030 3801 ARG 573 HG2 -0.0041 -0.0062 0.0037 3802 ARG 573 HG3 -0.0038 -0.0054 0.0032 3803 ARG 573 CD -0.0036 -0.0051 0.0026 3804 ARG 573 HD2 -0.0034 -0.0047 0.0019 3805 ARG 573 HD3 -0.0037 -0.0054 0.0024 3806 ARG 573 NE -0.0034 -0.0043 0.0035 3807 ARG 573 HE -0.0036 -0.0044 0.0042 3808 ARG 573 CZ -0.0031 -0.0034 0.0033 3809 ARG 573 NH1 -0.0029 -0.0031 0.0024 3810 ARG 573 HH11 -0.0031 -0.0036 0.0018 3811 ARG 573 HH12 -0.0027 -0.0024 0.0023 3812 ARG 573 NH2 -0.0030 -0.0027 0.0041 3813 ARG 573 HH21 -0.0031 -0.0029 0.0048 3814 ARG 573 HH22 -0.0027 -0.0020 0.0039 3815 THR 574 N -0.0043 -0.0073 0.0028 3816 THR 574 HN -0.0041 -0.0067 0.0023 3817 THR 574 CA -0.0045 -0.0075 0.0036 3818 THR 574 HA -0.0047 -0.0083 0.0035 3819 THR 574 C -0.0045 -0.0073 0.0046 3820 THR 574 O -0.0043 -0.0065 0.0049 3821 THR 574 CB -0.0043 -0.0069 0.0035 3822 THR 574 HB -0.0041 -0.0062 0.0040 3823 THR 574 OG1 -0.0041 -0.0065 0.0025 3824 THR 574 HG1 -0.0042 -0.0071 0.0022 3825 THR 574 CG2 -0.0045 -0.0074 0.0039 3826 THR 574 HG21 -0.0047 -0.0081 0.0034 3827 THR 574 HG22 -0.0047 -0.0077 0.0047 3828 THR 574 HG23 -0.0043 -0.0069 0.0039 3829 LEU 575 N -0.0041 -0.0093 0.0026 3830 LEU 575 HN -0.0039 -0.0091 0.0028 3831 LEU 575 CA -0.0039 -0.0095 0.0023 3832 LEU 575 HA -0.0041 -0.0097 0.0021 3833 LEU 575 C -0.0036 -0.0094 0.0024 3834 LEU 575 O -0.0037 -0.0095 0.0022 3835 LEU 575 CB -0.0035 -0.0095 0.0021 3836 LEU 575 HB2 -0.0037 -0.0095 0.0022 3837 LEU 575 HB3 -0.0032 -0.0094 0.0022 3838 LEU 575 CG -0.0034 -0.0099 0.0017 3839 LEU 575 HG -0.0037 -0.0100 0.0016 3840 LEU 575 CD1 -0.0031 -0.0099 0.0016 3841 LEU 575 HD11 -0.0028 -0.0097 0.0016 3842 LEU 575 HD12 -0.0033 -0.0098 0.0017 3843 LEU 575 HD13 -0.0031 -0.0101 0.0013 3844 LEU 575 CD2 -0.0032 -0.0099 0.0015 3845 LEU 575 HD21 -0.0029 -0.0098 0.0016 3846 LEU 575 HD22 -0.0032 -0.0102 0.0013 3847 LEU 575 HD23 -0.0035 -0.0099 0.0016 3848 LEU 576 N -0.0034 -0.0091 0.0026 3849 LEU 576 HN -0.0033 -0.0090 0.0027 3850 LEU 576 CA -0.0032 -0.0089 0.0027 3851 LEU 576 HA -0.0034 -0.0090 0.0027 3852 LEU 576 C -0.0032 -0.0086 0.0031 3853 LEU 576 O -0.0031 -0.0085 0.0033 3854 LEU 576 CB -0.0027 -0.0089 0.0026 3855 LEU 576 HB2 -0.0025 -0.0088 0.0026 3856 LEU 576 HB3 -0.0025 -0.0088 0.0027 3857 LEU 576 CG -0.0026 -0.0092 0.0022 3858 LEU 576 HG -0.0027 -0.0094 0.0020 3859 LEU 576 CD1 -0.0021 -0.0092 0.0020 3860 LEU 576 HD11 -0.0019 -0.0090 0.0022 3861 LEU 576 HD12 -0.0019 -0.0091 0.0021 3862 LEU 576 HD13 -0.0020 -0.0094 0.0018 3863 LEU 576 CD2 -0.0028 -0.0094 0.0021 3864 LEU 576 HD21 -0.0027 -0.0092 0.0022 3865 LEU 576 HD22 -0.0027 -0.0096 0.0018 3866 LEU 576 HD23 -0.0032 -0.0094 0.0021 3867 ARG 577 N -0.0039 -0.0091 0.0016 3868 ARG 577 HN -0.0040 -0.0094 0.0014 3869 ARG 577 CA -0.0037 -0.0086 0.0021 3870 ARG 577 HA -0.0035 -0.0084 0.0023 3871 ARG 577 C -0.0032 -0.0085 0.0018 3872 ARG 577 O -0.0032 -0.0088 0.0014 3873 ARG 577 CB -0.0042 -0.0087 0.0026 3874 ARG 577 HB2 -0.0046 -0.0090 0.0027 3875 ARG 577 HB3 -0.0043 -0.0089 0.0024 3876 ARG 577 CG -0.0042 -0.0083 0.0032 3877 ARG 577 HG2 -0.0046 -0.0084 0.0035 3878 ARG 577 HG3 -0.0041 -0.0081 0.0034 3879 ARG 577 CD -0.0037 -0.0079 0.0033 3880 ARG 577 HD2 -0.0038 -0.0076 0.0038 3881 ARG 577 HD3 -0.0033 -0.0076 0.0031 3882 ARG 577 NE -0.0038 -0.0081 0.0030 3883 ARG 577 HE -0.0037 -0.0083 0.0026 3884 ARG 577 CZ -0.0041 -0.0081 0.0033 3885 ARG 577 NH1 -0.0043 -0.0079 0.0039 3886 ARG 577 HH11 -0.0042 -0.0076 0.0041 3887 ARG 577 HH12 -0.0046 -0.0080 0.0041 3888 ARG 577 NH2 -0.0043 -0.0085 0.0030 3889 ARG 577 HH21 -0.0042 -0.0087 0.0026 3890 ARG 577 HH22 -0.0046 -0.0085 0.0033 3891 HIS 578 N -0.0028 -0.0080 0.0020 3892 HIS 578 HN -0.0028 -0.0078 0.0023 3893 HIS 578 CA -0.0024 -0.0078 0.0019 3894 HIS 578 HA -0.0026 -0.0079 0.0018 3895 HIS 578 C -0.0021 -0.0072 0.0024 3896 HIS 578 O -0.0021 -0.0070 0.0027 3897 HIS 578 CB -0.0019 -0.0078 0.0013 3898 HIS 578 HB2 -0.0021 -0.0082 0.0009 3899 HIS 578 HB3 -0.0016 -0.0076 0.0012 3900 HIS 578 CG -0.0016 -0.0076 0.0012 3901 HIS 578 ND1 -0.0013 -0.0077 0.0006 3902 HIS 578 HD1 -0.0011 -0.0079 0.0002 3903 HIS 578 CD2 -0.0017 -0.0074 0.0016 3904 HIS 578 HD2 -0.0019 -0.0073 0.0020 3905 HIS 578 CE1 -0.0011 -0.0076 0.0007 3906 HIS 578 HE1 -0.0009 -0.0076 0.0003 3907 HIS 578 NE2 -0.0014 -0.0074 0.0012 3908 HIS 578 HE2 -0.0014 -0.0073 0.0014 3909 ASP 579 N -0.0024 -0.0082 0.0000 3910 ASP 579 HN -0.0025 -0.0087 -0.0005 3911 ASP 579 CA -0.0021 -0.0073 0.0004 3912 ASP 579 HA -0.0022 -0.0069 0.0011 3913 ASP 579 C -0.0014 -0.0065 -0.0004 3914 ASP 579 O -0.0013 -0.0068 -0.0014 3915 ASP 579 CB -0.0023 -0.0075 0.0006 3916 ASP 579 HB2 -0.0021 -0.0075 -0.0001 3917 ASP 579 HB3 -0.0028 -0.0083 0.0009 3918 ASP 579 CG -0.0022 -0.0068 0.0016 3919 ASP 579 OD1 -0.0017 -0.0059 0.0015 3920 ASP 579 OD2 -0.0027 -0.0071 0.0024 3921 ILE 580 N -0.0011 -0.0056 0.0000 3922 ILE 580 HN -0.0013 -0.0054 0.0008 3923 ILE 580 CA -0.0005 -0.0047 -0.0005 3924 ILE 580 HA -0.0003 -0.0050 -0.0014 3925 ILE 580 C -0.0002 -0.0039 -0.0001 3926 ILE 580 O -0.0004 -0.0037 0.0008 3927 ILE 580 CB -0.0003 -0.0043 -0.0004 3928 ILE 580 HB -0.0005 -0.0042 0.0004 3929 ILE 580 CG1 -0.0005 -0.0051 -0.0010 3930 ILE 580 HG12 -0.0001 -0.0046 -0.0013 3931 ILE 580 HG13 -0.0005 -0.0055 -0.0017 3932 ILE 580 CG2 0.0004 -0.0033 -0.0008 3933 ILE 580 HG21 0.0006 -0.0034 -0.0016 3934 ILE 580 HG22 0.0005 -0.0027 -0.0003 3935 ILE 580 HG23 0.0005 -0.0031 -0.0009 3936 ILE 580 CD1 -0.0011 -0.0058 -0.0003 3937 ILE 580 HD11 -0.0011 -0.0053 0.0003 3938 ILE 580 HD12 -0.0014 -0.0062 0.0000 3939 ILE 580 HD13 -0.0011 -0.0063 -0.0009 3940 ILE 581 N 0.0006 -0.0037 -0.0020 3941 ILE 581 HN 0.0008 -0.0039 -0.0028 3942 ILE 581 CA 0.0010 -0.0026 -0.0018 3943 ILE 581 HA 0.0007 -0.0027 -0.0011 3944 ILE 581 C 0.0013 -0.0016 -0.0015 3945 ILE 581 O 0.0017 -0.0012 -0.0023 3946 ILE 581 CB 0.0015 -0.0025 -0.0030 3947 ILE 581 HB 0.0017 -0.0025 -0.0037 3948 ILE 581 CG1 0.0012 -0.0036 -0.0034 3949 ILE 581 HG12 0.0009 -0.0036 -0.0028 3950 ILE 581 HG13 0.0008 -0.0044 -0.0034 3951 ILE 581 CG2 0.0019 -0.0013 -0.0029 3952 ILE 581 HG21 0.0017 -0.0012 -0.0021 3953 ILE 581 HG22 0.0022 -0.0006 -0.0029 3954 ILE 581 HG23 0.0022 -0.0012 -0.0037 3955 ILE 581 CD1 0.0016 -0.0036 -0.0047 3956 ILE 581 HD11 0.0019 -0.0029 -0.0048 3957 ILE 581 HD12 0.0018 -0.0036 -0.0053 3958 ILE 581 HD13 0.0013 -0.0044 -0.0049 3959 THR 582 N 0.0010 -0.0012 -0.0003 3960 THR 582 HN 0.0007 -0.0014 0.0003 3961 THR 582 CA 0.0011 -0.0005 0.0002 3962 THR 582 HA 0.0013 -0.0006 -0.0004 3963 THR 582 C 0.0016 0.0008 0.0003 3964 THR 582 O 0.0016 0.0013 0.0009 3965 THR 582 CB 0.0006 -0.0008 0.0015 3966 THR 582 HB 0.0007 -0.0002 0.0017 3967 THR 582 OG1 0.0003 -0.0007 0.0024 3968 THR 582 HG1 0.0003 -0.0010 0.0020 3969 THR 582 CG2 0.0001 -0.0021 0.0014 3970 THR 582 HG21 -0.0001 -0.0027 0.0011 3971 THR 582 HG22 0.0003 -0.0022 0.0007 3972 THR 582 HG23 -0.0003 -0.0022 0.0022 3973 LEU 583 N 0.0024 0.0020 -0.0004 3974 LEU 583 HN 0.0024 0.0016 -0.0010 3975 LEU 583 CA 0.0029 0.0034 -0.0002 3976 LEU 583 HA 0.0029 0.0037 0.0001 3977 LEU 583 C 0.0028 0.0039 0.0010 3978 LEU 583 O 0.0030 0.0042 0.0009 3979 LEU 583 CB 0.0035 0.0043 -0.0014 3980 LEU 583 HB2 0.0035 0.0037 -0.0023 3981 LEU 583 HB3 0.0036 0.0043 -0.0016 3982 LEU 583 CG 0.0041 0.0057 -0.0014 3983 LEU 583 HG 0.0045 0.0060 -0.0024 3984 LEU 583 CD1 0.0042 0.0067 -0.0004 3985 LEU 583 HD11 0.0039 0.0064 0.0007 3986 LEU 583 HD12 0.0043 0.0068 -0.0007 3987 LEU 583 HD13 0.0046 0.0077 -0.0004 3988 LEU 583 CD2 0.0042 0.0059 -0.0015 3989 LEU 583 HD21 0.0038 0.0055 -0.0006 3990 LEU 583 HD22 0.0046 0.0069 -0.0016 3991 LEU 583 HD23 0.0042 0.0053 -0.0024 3992 LYS 584 N 0.0025 0.0040 0.0023 3993 LYS 584 HN 0.0022 0.0033 0.0024 3994 LYS 584 CA 0.0028 0.0052 0.0031 3995 LYS 584 HA 0.0030 0.0058 0.0031 3996 LYS 584 C 0.0032 0.0059 0.0025 3997 LYS 584 O 0.0031 0.0052 0.0018 3998 LYS 584 CB 0.0023 0.0049 0.0047 3999 LYS 584 HB2 0.0022 0.0052 0.0052 4000 LYS 584 HB3 0.0018 0.0038 0.0047 4001 LYS 584 CG 0.0023 0.0055 0.0055 4002 LYS 584 HG2 0.0027 0.0066 0.0055 4003 LYS 584 HG3 0.0019 0.0052 0.0066 4004 LYS 584 CD 0.0023 0.0051 0.0049 4005 LYS 584 HD2 0.0023 0.0046 0.0039 4006 LYS 584 HD3 0.0019 0.0044 0.0055 4007 LYS 584 CE 0.0027 0.0063 0.0049 4008 LYS 584 HE2 0.0026 0.0065 0.0059 4009 LYS 584 HE3 0.0032 0.0072 0.0046 4010 LYS 584 NZ 0.0028 0.0059 0.0040 4011 LYS 584 HZ1 0.0025 0.0053 0.0044 4012 LYS 584 HZ2 0.0032 0.0068 0.0037 4013 LYS 584 HZ3 0.0029 0.0054 0.0030 4014 GLY 585 N 0.0037 0.0073 0.0026 4015 GLY 585 HN 0.0038 0.0080 0.0033 4016 GLY 585 CA 0.0042 0.0080 0.0017 4017 GLY 585 HA2 0.0042 0.0075 0.0006 4018 GLY 585 HA3 0.0046 0.0091 0.0016 4019 GLY 585 C 0.0041 0.0081 0.0021 4020 GLY 585 O 0.0042 0.0089 0.0032 4021 THR 586 N 0.0040 0.0073 0.0015 4022 THR 586 HN 0.0040 0.0077 0.0019 4023 THR 586 CA 0.0038 0.0062 0.0004 4024 THR 586 HA 0.0042 0.0065 -0.0006 4025 THR 586 C 0.0032 0.0047 0.0006 4026 THR 586 O 0.0028 0.0043 0.0018 4027 THR 586 CB 0.0038 0.0060 0.0003 4028 THR 586 HB 0.0036 0.0052 -0.0006 4029 THR 586 OG1 0.0033 0.0057 0.0017 4030 THR 586 HG1 0.0033 0.0054 0.0014 4031 THR 586 CG2 0.0044 0.0073 -0.0001 4032 THR 586 HG21 0.0045 0.0082 0.0007 4033 THR 586 HG22 0.0047 0.0076 -0.0012 4034 THR 586 HG23 0.0043 0.0071 -0.0003 4035 ASP 587 N 0.0031 0.0036 -0.0006 4036 ASP 587 HN 0.0034 0.0039 -0.0015 4037 ASP 587 CA 0.0026 0.0023 -0.0008 4038 ASP 587 HA 0.0025 0.0023 -0.0004 4039 ASP 587 C 0.0020 0.0014 0.0001 4040 ASP 587 O 0.0021 0.0014 0.0000 4041 ASP 587 CB 0.0027 0.0019 -0.0023 4042 ASP 587 HB2 0.0030 0.0023 -0.0028 4043 ASP 587 HB3 0.0023 0.0008 -0.0024 4044 ASP 587 CG 0.0030 0.0023 -0.0031 4045 ASP 587 OD1 0.0035 0.0034 -0.0031 4046 ASP 587 OD2 0.0028 0.0014 -0.0037 4047 ARG 588 N 0.0016 0.0006 0.0008 4048 ARG 588 HN 0.0016 0.0007 0.0009 4049 ARG 588 CA 0.0010 -0.0005 0.0015 4050 ARG 588 HA 0.0010 -0.0008 0.0009 4051 ARG 588 C 0.0005 -0.0016 0.0015 4052 ARG 588 O 0.0006 -0.0015 0.0015 4053 ARG 588 CB 0.0008 -0.0002 0.0030 4054 ARG 588 HB2 0.0008 0.0001 0.0037 4055 ARG 588 HB3 0.0004 -0.0011 0.0034 4056 ARG 588 CG 0.0012 0.0007 0.0032 4057 ARG 588 HG2 0.0013 0.0005 0.0023 4058 ARG 588 HG3 0.0009 0.0005 0.0041 4059 ARG 588 CD 0.0018 0.0021 0.0033 4060 ARG 588 HD2 0.0020 0.0024 0.0024 4061 ARG 588 HD3 0.0020 0.0027 0.0034 4062 ARG 588 NE 0.0016 0.0024 0.0045 4063 ARG 588 HE 0.0016 0.0023 0.0044 4064 ARG 588 CZ 0.0015 0.0026 0.0058 4065 ARG 588 NH1 0.0014 0.0027 0.0062 4066 ARG 588 HH11 0.0015 0.0026 0.0054 4067 ARG 588 HH12 0.0013 0.0028 0.0071 4068 ARG 588 NH2 0.0013 0.0027 0.0068 4069 ARG 588 HH21 0.0013 0.0026 0.0066 4070 ARG 588 HH22 0.0012 0.0028 0.0078 4071 GLU 589 N -0.0005 -0.0030 0.0018 4072 GLU 589 HN -0.0005 -0.0029 0.0019 4073 GLU 589 CA -0.0009 -0.0039 0.0018 4074 GLU 589 HA -0.0007 -0.0040 0.0011 4075 GLU 589 C -0.0012 -0.0041 0.0026 4076 GLU 589 O -0.0014 -0.0038 0.0034 4077 GLU 589 CB -0.0011 -0.0046 0.0017 4078 GLU 589 HB2 -0.0014 -0.0046 0.0024 4079 GLU 589 HB3 -0.0013 -0.0052 0.0014 4080 GLU 589 CG -0.0008 -0.0043 0.0010 4081 GLU 589 HG2 -0.0005 -0.0041 0.0004 4082 GLU 589 HG3 -0.0010 -0.0050 0.0008 4083 GLU 589 CD -0.0007 -0.0037 0.0015 4084 GLU 589 OE1 -0.0005 -0.0030 0.0020 4085 GLU 589 OE2 -0.0007 -0.0039 0.0014 4086 ARG 590 N -0.0013 -0.0045 0.0024 4087 ARG 590 HN -0.0012 -0.0047 0.0017 4088 ARG 590 CA -0.0017 -0.0049 0.0030 4089 ARG 590 HA -0.0020 -0.0050 0.0036 4090 ARG 590 C -0.0020 -0.0057 0.0026 4091 ARG 590 O -0.0018 -0.0059 0.0019 4092 ARG 590 CB -0.0015 -0.0042 0.0034 4093 ARG 590 HB2 -0.0012 -0.0040 0.0028 4094 ARG 590 HB3 -0.0018 -0.0045 0.0038 4095 ARG 590 CG -0.0013 -0.0033 0.0040 4096 ARG 590 HG2 -0.0012 -0.0028 0.0042 4097 ARG 590 HG3 -0.0010 -0.0029 0.0036 4098 ARG 590 CD -0.0017 -0.0035 0.0049 4099 ARG 590 HD2 -0.0019 -0.0039 0.0048 4100 ARG 590 HD3 -0.0020 -0.0038 0.0054 4101 ARG 590 NE -0.0015 -0.0026 0.0054 4102 ARG 590 HE -0.0015 -0.0023 0.0059 4103 ARG 590 CZ -0.0013 -0.0022 0.0054 4104 ARG 590 NH1 -0.0013 -0.0025 0.0048 4105 ARG 590 HH11 -0.0013 -0.0030 0.0043 4106 ARG 590 HH12 -0.0011 -0.0022 0.0047 4107 ARG 590 NH2 -0.0013 -0.0015 0.0061 4108 ARG 590 HH21 -0.0014 -0.0014 0.0066 4109 ARG 590 HH22 -0.0013 -0.0015 0.0062 4110 CYS 591 N -0.0025 -0.0060 0.0036 4111 CYS 591 HN -0.0026 -0.0058 0.0041 4112 CYS 591 CA -0.0028 -0.0066 0.0035 4113 CYS 591 HA -0.0027 -0.0068 0.0029 4114 CYS 591 C -0.0028 -0.0065 0.0036 4115 CYS 591 O -0.0029 -0.0062 0.0042 4116 CYS 591 CB -0.0032 -0.0071 0.0039 4117 CYS 591 HB2 -0.0034 -0.0074 0.0041 4118 CYS 591 HB3 -0.0033 -0.0069 0.0044 4119 CYS 591 SG -0.0034 -0.0077 0.0034 4120 CYS 591 HG -0.0031 -0.0073 0.0031 4121 ILE 592 N -0.0027 -0.0066 0.0030 4122 ILE 592 HN -0.0026 -0.0068 0.0025 4123 ILE 592 CA -0.0026 -0.0065 0.0030 4124 ILE 592 HA -0.0027 -0.0062 0.0036 4125 ILE 592 C -0.0030 -0.0072 0.0030 4126 ILE 592 O -0.0031 -0.0077 0.0025 4127 ILE 592 CB -0.0022 -0.0061 0.0025 4128 ILE 592 HB -0.0021 -0.0063 0.0020 4129 ILE 592 CG1 -0.0019 -0.0053 0.0027 4130 ILE 592 HG12 -0.0016 -0.0051 0.0023 4131 ILE 592 HG13 -0.0020 -0.0052 0.0032 4132 ILE 592 CG2 -0.0023 -0.0063 0.0023 4133 ILE 592 HG21 -0.0024 -0.0062 0.0028 4134 ILE 592 HG22 -0.0025 -0.0068 0.0021 4135 ILE 592 HG23 -0.0020 -0.0060 0.0019 4136 ILE 592 CD1 -0.0018 -0.0050 0.0028 4137 ILE 592 HD11 -0.0017 -0.0052 0.0023 4138 ILE 592 HD12 -0.0020 -0.0052 0.0033 4139 ILE 592 HD13 -0.0015 -0.0045 0.0029 4140 PHE 593 N -0.0030 -0.0071 0.0036 4141 PHE 593 HN -0.0030 -0.0068 0.0038 4142 PHE 593 CA -0.0033 -0.0075 0.0036 4143 PHE 593 HA -0.0033 -0.0078 0.0033 4144 PHE 593 C -0.0032 -0.0075 0.0035 4145 PHE 593 O -0.0033 -0.0073 0.0038 4146 PHE 593 CB -0.0037 -0.0076 0.0041 4147 PHE 593 HB2 -0.0037 -0.0073 0.0044 4148 PHE 593 HB3 -0.0039 -0.0080 0.0041 4149 PHE 593 CG -0.0037 -0.0075 0.0042 4150 PHE 593 CD1 -0.0036 -0.0071 0.0044 4151 PHE 593 HD1 -0.0034 -0.0068 0.0045 4152 PHE 593 CD2 -0.0040 -0.0079 0.0041 4153 PHE 593 HD2 -0.0041 -0.0083 0.0040 4154 PHE 593 CE1 -0.0037 -0.0070 0.0045 4155 PHE 593 HE1 -0.0036 -0.0067 0.0047 4156 PHE 593 CE2 -0.0040 -0.0079 0.0043 4157 PHE 593 HE2 -0.0042 -0.0082 0.0042 4158 PHE 593 CZ -0.0039 -0.0074 0.0045 4159 PHE 593 HZ -0.0039 -0.0074 0.0045 4160 MET 594 N -0.0032 -0.0079 0.0031 4161 MET 594 HN -0.0032 -0.0081 0.0029 4162 MET 594 CA -0.0031 -0.0080 0.0030 4163 MET 594 HA -0.0030 -0.0076 0.0032 4164 MET 594 C -0.0035 -0.0084 0.0032 4165 MET 594 O -0.0036 -0.0088 0.0030 4166 MET 594 CB -0.0028 -0.0081 0.0025 4167 MET 594 HB2 -0.0028 -0.0082 0.0024 4168 MET 594 HB3 -0.0029 -0.0084 0.0023 4169 MET 594 CG -0.0024 -0.0077 0.0023 4170 MET 594 HG2 -0.0024 -0.0075 0.0025 4171 MET 594 HG3 -0.0023 -0.0075 0.0023 4172 MET 594 SD -0.0021 -0.0079 0.0017 4173 MET 594 CE -0.0020 -0.0082 0.0014 4174 MET 594 HE1 -0.0018 -0.0083 0.0010 4175 MET 594 HE2 -0.0020 -0.0079 0.0015 4176 MET 594 HE3 -0.0023 -0.0085 0.0015 4177 LEU 595 N -0.0035 -0.0079 0.0035 4178 LEU 595 HN -0.0034 -0.0076 0.0036 4179 LEU 595 CA -0.0038 -0.0081 0.0036 4180 LEU 595 HA -0.0038 -0.0083 0.0036 4181 LEU 595 C -0.0038 -0.0084 0.0036 4182 LEU 595 O -0.0035 -0.0085 0.0033 4183 LEU 595 CB -0.0041 -0.0079 0.0039 4184 LEU 595 HB2 -0.0041 -0.0077 0.0040 4185 LEU 595 HB3 -0.0043 -0.0082 0.0040 4186 LEU 595 CG -0.0041 -0.0077 0.0040 4187 LEU 595 HG -0.0039 -0.0074 0.0040 4188 LEU 595 CD1 -0.0044 -0.0076 0.0043 4189 LEU 595 HD11 -0.0046 -0.0078 0.0044 4190 LEU 595 HD12 -0.0044 -0.0074 0.0044 4191 LEU 595 HD13 -0.0044 -0.0074 0.0044 4192 LEU 595 CD2 -0.0040 -0.0079 0.0039 4193 LEU 595 HD21 -0.0042 -0.0082 0.0039 4194 LEU 595 HD22 -0.0040 -0.0077 0.0040 4195 LEU 595 HD23 -0.0038 -0.0080 0.0037 4196 SER 596 N -0.0040 -0.0084 0.0037 4197 SER 596 HN -0.0042 -0.0083 0.0039 4198 SER 596 CA -0.0040 -0.0086 0.0037 4199 SER 596 HA -0.0037 -0.0086 0.0035 4200 SER 596 C -0.0041 -0.0083 0.0038 4201 SER 596 O -0.0038 -0.0082 0.0037 4202 SER 596 CB -0.0042 -0.0090 0.0037 4203 SER 596 HB2 -0.0042 -0.0091 0.0036 4204 SER 596 HB3 -0.0045 -0.0090 0.0039 4205 SER 596 OG -0.0041 -0.0092 0.0035 4206 SER 596 HG -0.0041 -0.0091 0.0036 4207 ASP 597 N -0.0041 -0.0077 0.0046 4208 ASP 597 HN -0.0043 -0.0079 0.0047 4209 ASP 597 CA -0.0041 -0.0073 0.0049 4210 ASP 597 HA -0.0041 -0.0073 0.0049 4211 ASP 597 C -0.0038 -0.0069 0.0048 4212 ASP 597 O -0.0036 -0.0067 0.0048 4213 ASP 597 CB -0.0044 -0.0074 0.0052 4214 ASP 597 HB2 -0.0044 -0.0075 0.0052 4215 ASP 597 HB3 -0.0046 -0.0076 0.0053 4216 ASP 597 CG -0.0044 -0.0070 0.0055 4217 ASP 597 OD1 -0.0045 -0.0068 0.0057 4218 ASP 597 OD2 -0.0044 -0.0068 0.0057 4219 LEU 598 N -0.0037 -0.0069 0.0047 4220 LEU 598 HN -0.0039 -0.0071 0.0048 4221 LEU 598 CA -0.0035 -0.0065 0.0048 4222 LEU 598 HA -0.0034 -0.0063 0.0047 4223 LEU 598 C -0.0033 -0.0065 0.0045 4224 LEU 598 O -0.0033 -0.0068 0.0043 4225 LEU 598 CB -0.0037 -0.0062 0.0051 4226 LEU 598 HB2 -0.0036 -0.0059 0.0052 4227 LEU 598 HB3 -0.0038 -0.0062 0.0053 4228 LEU 598 CG -0.0040 -0.0064 0.0054 4229 LEU 598 HG -0.0042 -0.0067 0.0054 4230 LEU 598 CD1 -0.0039 -0.0065 0.0052 4231 LEU 598 HD11 -0.0037 -0.0062 0.0051 4232 LEU 598 HD12 -0.0038 -0.0067 0.0049 4233 LEU 598 HD13 -0.0041 -0.0066 0.0054 4234 LEU 598 CD2 -0.0041 -0.0061 0.0057 4235 LEU 598 HD21 -0.0040 -0.0058 0.0057 4236 LEU 598 HD22 -0.0043 -0.0062 0.0059 4237 LEU 598 HD23 -0.0043 -0.0061 0.0059 4238 LEU 599 N -0.0029 -0.0058 0.0044 4239 LEU 599 HN -0.0029 -0.0054 0.0046 4240 LEU 599 CA -0.0027 -0.0057 0.0041 4241 LEU 599 HA -0.0028 -0.0061 0.0039 4242 LEU 599 C -0.0028 -0.0055 0.0044 4243 LEU 599 O -0.0028 -0.0051 0.0047 4244 LEU 599 CB -0.0024 -0.0053 0.0037 4245 LEU 599 HB2 -0.0024 -0.0054 0.0035 4246 LEU 599 HB3 -0.0024 -0.0049 0.0039 4247 LEU 599 CG -0.0022 -0.0053 0.0033 4248 LEU 599 HG -0.0023 -0.0054 0.0034 4249 LEU 599 CD1 -0.0022 -0.0058 0.0028 4250 LEU 599 HD11 -0.0021 -0.0057 0.0027 4251 LEU 599 HD12 -0.0024 -0.0061 0.0030 4252 LEU 599 HD13 -0.0021 -0.0058 0.0025 4253 LEU 599 CD2 -0.0020 -0.0048 0.0031 4254 LEU 599 HD21 -0.0019 -0.0047 0.0029 4255 LEU 599 HD22 -0.0018 -0.0048 0.0028 4256 LEU 599 HD23 -0.0020 -0.0045 0.0034 4257 LEU 600 N -0.0029 -0.0058 0.0043 4258 LEU 600 HN -0.0029 -0.0061 0.0041 4259 LEU 600 CA -0.0030 -0.0057 0.0046 4260 LEU 600 HA -0.0030 -0.0054 0.0049 4261 LEU 600 C -0.0027 -0.0054 0.0043 4262 LEU 600 O -0.0026 -0.0056 0.0038 4263 LEU 600 CB -0.0032 -0.0061 0.0048 4264 LEU 600 HB2 -0.0032 -0.0064 0.0045 4265 LEU 600 HB3 -0.0033 -0.0060 0.0050 4266 LEU 600 CG -0.0035 -0.0064 0.0052 4267 LEU 600 HG -0.0034 -0.0065 0.0050 4268 LEU 600 CD1 -0.0037 -0.0069 0.0053 4269 LEU 600 HD11 -0.0038 -0.0069 0.0054 4270 LEU 600 HD12 -0.0037 -0.0072 0.0049 4271 LEU 600 HD13 -0.0039 -0.0071 0.0056 4272 LEU 600 CD2 -0.0036 -0.0060 0.0057 4273 LEU 600 HD21 -0.0036 -0.0059 0.0059 4274 LEU 600 HD22 -0.0038 -0.0062 0.0059 4275 LEU 600 HD23 -0.0034 -0.0057 0.0056 4276 VAL 601 N -0.0026 -0.0048 0.0049 4277 VAL 601 HN -0.0026 -0.0047 0.0053 4278 VAL 601 CA -0.0025 -0.0046 0.0045 4279 VAL 601 HA -0.0026 -0.0048 0.0041 4280 VAL 601 C -0.0026 -0.0048 0.0048 4281 VAL 601 O -0.0025 -0.0045 0.0052 4282 VAL 601 CB -0.0023 -0.0039 0.0044 4283 VAL 601 HB -0.0022 -0.0038 0.0042 4284 VAL 601 CG1 -0.0022 -0.0036 0.0050 4285 VAL 601 HG11 -0.0022 -0.0037 0.0053 4286 VAL 601 HG12 -0.0020 -0.0031 0.0049 4287 VAL 601 HG13 -0.0022 -0.0036 0.0052 4288 VAL 601 CG2 -0.0022 -0.0038 0.0040 4289 VAL 601 HG21 -0.0022 -0.0039 0.0042 4290 VAL 601 HG22 -0.0022 -0.0040 0.0035 4291 VAL 601 HG23 -0.0020 -0.0033 0.0039 4292 THR 602 N -0.0028 -0.0053 0.0046 4293 THR 602 HN -0.0029 -0.0055 0.0043 4294 THR 602 CA -0.0029 -0.0056 0.0050 4295 THR 602 HA -0.0029 -0.0053 0.0054 4296 THR 602 C -0.0029 -0.0057 0.0048 4297 THR 602 O -0.0029 -0.0058 0.0042 4298 THR 602 CB -0.0032 -0.0062 0.0053 4299 THR 602 HB -0.0033 -0.0065 0.0049 4300 THR 602 OG1 -0.0032 -0.0061 0.0055 4301 THR 602 HG1 -0.0033 -0.0065 0.0056 4302 THR 602 CG2 -0.0033 -0.0064 0.0058 4303 THR 602 HG21 -0.0032 -0.0060 0.0061 4304 THR 602 HG22 -0.0033 -0.0065 0.0057 4305 THR 602 HG23 -0.0034 -0.0068 0.0060 4306 SER 603 N -0.0028 -0.0058 0.0055 4307 SER 603 HN -0.0028 -0.0057 0.0059 4308 SER 603 CA -0.0028 -0.0058 0.0055 4309 SER 603 HA -0.0027 -0.0056 0.0050 4310 SER 603 C -0.0032 -0.0063 0.0055 4311 SER 603 O -0.0034 -0.0066 0.0060 4312 SER 603 CB -0.0026 -0.0054 0.0060 4313 SER 603 HB2 -0.0027 -0.0056 0.0064 4314 SER 603 HB3 -0.0024 -0.0051 0.0061 4315 SER 603 OG -0.0024 -0.0051 0.0058 4316 SER 603 HG -0.0026 -0.0054 0.0057 4317 VAL 604 N -0.0033 -0.0066 0.0050 4318 VAL 604 HN -0.0032 -0.0064 0.0046 4319 VAL 604 CA -0.0037 -0.0071 0.0050 4320 VAL 604 HA -0.0039 -0.0074 0.0053 4321 VAL 604 C -0.0037 -0.0071 0.0054 4322 VAL 604 O -0.0035 -0.0068 0.0054 4323 VAL 604 CB -0.0038 -0.0073 0.0044 4324 VAL 604 HB -0.0041 -0.0077 0.0045 4325 VAL 604 CG1 -0.0036 -0.0070 0.0039 4326 VAL 604 HG11 -0.0034 -0.0066 0.0038 4327 VAL 604 HG12 -0.0037 -0.0072 0.0035 4328 VAL 604 HG13 -0.0035 -0.0069 0.0042 4329 VAL 604 CG2 -0.0040 -0.0075 0.0041 4330 VAL 604 HG21 -0.0038 -0.0072 0.0040 4331 VAL 604 HG22 -0.0042 -0.0079 0.0043 4332 VAL 604 HG23 -0.0040 -0.0077 0.0036 4333 LYS 605 N -0.0043 -0.0075 0.0052 4334 LYS 605 HN -0.0042 -0.0075 0.0053 4335 LYS 605 CA -0.0044 -0.0081 0.0055 4336 LYS 605 HA -0.0046 -0.0081 0.0053 4337 LYS 605 C -0.0047 -0.0087 0.0055 4338 LYS 605 O -0.0048 -0.0086 0.0054 4339 LYS 605 CB -0.0038 -0.0082 0.0061 4340 LYS 605 HB2 -0.0036 -0.0082 0.0063 4341 LYS 605 HB3 -0.0039 -0.0086 0.0063 4342 LYS 605 CG -0.0034 -0.0076 0.0061 4343 LYS 605 HG2 -0.0036 -0.0074 0.0058 4344 LYS 605 HG3 -0.0033 -0.0072 0.0060 4345 LYS 605 CD -0.0028 -0.0076 0.0066 4346 LYS 605 HD2 -0.0027 -0.0078 0.0069 4347 LYS 605 HD3 -0.0025 -0.0071 0.0066 4348 LYS 605 CE -0.0029 -0.0080 0.0069 4349 LYS 605 HE2 -0.0032 -0.0085 0.0069 4350 LYS 605 HE3 -0.0025 -0.0080 0.0073 4351 LYS 605 NZ -0.0031 -0.0077 0.0065 4352 LYS 605 HZ1 -0.0034 -0.0077 0.0061 4353 LYS 605 HZ2 -0.0031 -0.0080 0.0066 4354 LYS 605 HZ3 -0.0027 -0.0073 0.0065 4355 LYS 606 N -0.0050 -0.0093 0.0057 4356 LYS 606 HN -0.0049 -0.0093 0.0058 4357 LYS 606 CA -0.0053 -0.0099 0.0058 4358 LYS 606 HA -0.0056 -0.0098 0.0055 4359 LYS 606 C -0.0049 -0.0100 0.0063 4360 LYS 606 O -0.0044 -0.0100 0.0067 4361 LYS 606 CB -0.0056 -0.0104 0.0059 4362 LYS 606 HB2 -0.0052 -0.0105 0.0063 4363 LYS 606 HB3 -0.0058 -0.0109 0.0060 4364 LYS 606 CG -0.0060 -0.0103 0.0054 4365 LYS 606 HG2 -0.0063 -0.0103 0.0051 4366 LYS 606 HG3 -0.0058 -0.0099 0.0053 4367 LYS 606 CD -0.0063 -0.0109 0.0055 4368 LYS 606 HD2 -0.0065 -0.0113 0.0056 4369 LYS 606 HD3 -0.0060 -0.0110 0.0059 4370 LYS 606 CE -0.0067 -0.0109 0.0051 4371 LYS 606 HE2 -0.0066 -0.0104 0.0050 4372 LYS 606 HE3 -0.0071 -0.0108 0.0047 4373 LYS 606 NZ -0.0070 -0.0114 0.0052 4374 LYS 606 HZ1 -0.0067 -0.0115 0.0055 4375 LYS 606 HZ2 -0.0073 -0.0114 0.0049 4376 LYS 606 HZ3 -0.0072 -0.0118 0.0053 4377 LYS 607 N -0.0053 -0.0100 0.0054 4378 LYS 607 HN -0.0050 -0.0099 0.0054 4379 LYS 607 CA -0.0055 -0.0101 0.0053 4380 LYS 607 HA -0.0057 -0.0104 0.0053 4381 LYS 607 C -0.0059 -0.0099 0.0051 4382 LYS 607 O -0.0062 -0.0100 0.0050 4383 LYS 607 CB -0.0053 -0.0102 0.0054 4384 LYS 607 HB2 -0.0051 -0.0104 0.0055 4385 LYS 607 HB3 -0.0052 -0.0100 0.0054 4386 LYS 607 CG -0.0056 -0.0105 0.0054 4387 LYS 607 HG2 -0.0058 -0.0104 0.0052 4388 LYS 607 HG3 -0.0057 -0.0108 0.0054 4389 LYS 607 CD -0.0053 -0.0106 0.0055 4390 LYS 607 HD2 -0.0055 -0.0108 0.0054 4391 LYS 607 HD3 -0.0052 -0.0103 0.0054 4392 LYS 607 CE -0.0050 -0.0108 0.0057 4393 LYS 607 HE2 -0.0048 -0.0108 0.0057 4394 LYS 607 HE3 -0.0048 -0.0107 0.0057 4395 LYS 607 NZ -0.0050 -0.0112 0.0057 4396 LYS 607 HZ1 -0.0052 -0.0114 0.0057 4397 LYS 607 HZ2 -0.0048 -0.0114 0.0058 4398 LYS 607 HZ3 -0.0052 -0.0112 0.0056 4399 PRO 608 N -0.0058 -0.0095 0.0050 4400 PRO 608 CA -0.0056 -0.0092 0.0050 4401 PRO 608 HA -0.0057 -0.0091 0.0050 4402 PRO 608 C -0.0052 -0.0091 0.0052 4403 PRO 608 O -0.0050 -0.0093 0.0053 4404 PRO 608 CB -0.0057 -0.0088 0.0049 4405 PRO 608 HB2 -0.0055 -0.0086 0.0050 4406 PRO 608 HB3 -0.0059 -0.0086 0.0048 4407 PRO 608 CG -0.0060 -0.0090 0.0049 4408 PRO 608 HG2 -0.0062 -0.0088 0.0047 4409 PRO 608 HG3 -0.0058 -0.0090 0.0049 4410 PRO 608 CD -0.0061 -0.0094 0.0049 4411 PRO 608 HD2 -0.0064 -0.0095 0.0048 4412 PRO 608 HD3 -0.0061 -0.0096 0.0050 4413 LYS 609 N -0.0046 -0.0086 0.0056 4414 LYS 609 HN -0.0046 -0.0086 0.0055 4415 LYS 609 CA -0.0044 -0.0085 0.0057 4416 LYS 609 HA -0.0044 -0.0085 0.0056 4417 LYS 609 C -0.0042 -0.0082 0.0056 4418 LYS 609 O -0.0042 -0.0082 0.0055 4419 LYS 609 CB -0.0042 -0.0086 0.0060 4420 LYS 609 HB2 -0.0040 -0.0085 0.0061 4421 LYS 609 HB3 -0.0044 -0.0088 0.0061 4422 LYS 609 CG -0.0041 -0.0087 0.0062 4423 LYS 609 HG2 -0.0043 -0.0088 0.0061 4424 LYS 609 HG3 -0.0039 -0.0085 0.0061 4425 LYS 609 CD -0.0040 -0.0088 0.0065 4426 LYS 609 HD2 -0.0041 -0.0090 0.0066 4427 LYS 609 HD3 -0.0038 -0.0087 0.0066 4428 LYS 609 CE -0.0038 -0.0089 0.0067 4429 LYS 609 HE2 -0.0037 -0.0087 0.0066 4430 LYS 609 HE3 -0.0040 -0.0090 0.0066 4431 LYS 609 NZ -0.0037 -0.0090 0.0070 4432 LYS 609 HZ1 -0.0035 -0.0089 0.0070 4433 LYS 609 HZ2 -0.0036 -0.0090 0.0071 4434 LYS 609 HZ3 -0.0038 -0.0092 0.0071 4435 VAL 610 N -0.0040 -0.0080 0.0055 4436 VAL 610 HN -0.0040 -0.0080 0.0055 4437 VAL 610 CA -0.0039 -0.0077 0.0053 4438 VAL 610 HA -0.0039 -0.0077 0.0053 4439 VAL 610 C -0.0036 -0.0076 0.0055 4440 VAL 610 O -0.0035 -0.0076 0.0056 4441 VAL 610 CB -0.0040 -0.0076 0.0050 4442 VAL 610 HB -0.0041 -0.0077 0.0051 4443 VAL 610 CG1 -0.0043 -0.0077 0.0048 4444 VAL 610 HG11 -0.0043 -0.0076 0.0048 4445 VAL 610 HG12 -0.0044 -0.0076 0.0046 4446 VAL 610 HG13 -0.0045 -0.0079 0.0049 4447 VAL 610 CG2 -0.0039 -0.0073 0.0048 4448 VAL 610 HG21 -0.0038 -0.0072 0.0048 4449 VAL 610 HG22 -0.0037 -0.0072 0.0049 4450 VAL 610 HG23 -0.0040 -0.0072 0.0046 4451 LEU 611 N -0.0035 -0.0070 0.0055 4452 LEU 611 HN -0.0035 -0.0070 0.0054 4453 LEU 611 CA -0.0033 -0.0068 0.0058 4454 LEU 611 HA -0.0033 -0.0069 0.0060 4455 LEU 611 C -0.0031 -0.0065 0.0057 4456 LEU 611 O -0.0031 -0.0063 0.0055 4457 LEU 611 CB -0.0033 -0.0069 0.0061 4458 LEU 611 HB2 -0.0034 -0.0071 0.0061 4459 LEU 611 HB3 -0.0032 -0.0068 0.0059 4460 LEU 611 CG -0.0031 -0.0068 0.0065 4461 LEU 611 HG -0.0032 -0.0069 0.0066 4462 LEU 611 CD1 -0.0029 -0.0065 0.0065 4463 LEU 611 HD11 -0.0028 -0.0063 0.0064 4464 LEU 611 HD12 -0.0029 -0.0064 0.0064 4465 LEU 611 HD13 -0.0028 -0.0064 0.0068 4466 LEU 611 CD2 -0.0032 -0.0069 0.0067 4467 LEU 611 HD21 -0.0031 -0.0068 0.0066 4468 LEU 611 HD22 -0.0031 -0.0069 0.0069 4469 LEU 611 HD23 -0.0033 -0.0072 0.0066 4470 TYR 612 N -0.0030 -0.0063 0.0059 4471 TYR 612 HN -0.0030 -0.0064 0.0061 4472 TYR 612 CA -0.0029 -0.0061 0.0057 4473 TYR 612 HA -0.0029 -0.0062 0.0055 4474 TYR 612 C -0.0026 -0.0058 0.0057 4475 TYR 612 O -0.0025 -0.0057 0.0059 4476 TYR 612 CB -0.0029 -0.0062 0.0059 4477 TYR 612 HB2 -0.0029 -0.0064 0.0062 4478 TYR 612 HB3 -0.0028 -0.0061 0.0060 4479 TYR 612 CG -0.0031 -0.0064 0.0057 4480 TYR 612 CD1 -0.0030 -0.0063 0.0054 4481 TYR 612 HD1 -0.0029 -0.0060 0.0054 4482 TYR 612 CD2 -0.0033 -0.0067 0.0056 4483 TYR 612 HD2 -0.0033 -0.0068 0.0058 4484 TYR 612 CE1 -0.0032 -0.0064 0.0051 4485 TYR 612 HE1 -0.0031 -0.0063 0.0050 4486 TYR 612 CE2 -0.0034 -0.0068 0.0053 4487 TYR 612 HE2 -0.0036 -0.0071 0.0053 4488 TYR 612 CZ -0.0034 -0.0067 0.0051 4489 TYR 612 OH -0.0035 -0.0068 0.0048 4490 TYR 612 HH -0.0037 -0.0070 0.0048 4491 SER 613 N -0.0030 -0.0044 0.0060 4492 SER 613 HN -0.0030 -0.0046 0.0059 4493 SER 613 CA -0.0028 -0.0043 0.0060 4494 SER 613 HA -0.0030 -0.0042 0.0062 4495 SER 613 C -0.0028 -0.0046 0.0057 4496 SER 613 O -0.0029 -0.0048 0.0056 4497 SER 613 CB -0.0025 -0.0040 0.0060 4498 SER 613 HB2 -0.0024 -0.0040 0.0057 4499 SER 613 HB3 -0.0026 -0.0038 0.0061 4500 SER 613 OG -0.0024 -0.0039 0.0060 4501 SER 613 HG -0.0023 -0.0037 0.0059 4502 LYS 614 N -0.0028 -0.0045 0.0057 4503 LYS 614 HN -0.0027 -0.0043 0.0059 4504 LYS 614 CA -0.0028 -0.0048 0.0055 4505 LYS 614 HA -0.0027 -0.0049 0.0053 4506 LYS 614 C -0.0026 -0.0047 0.0054 4507 LYS 614 O -0.0025 -0.0044 0.0056 4508 LYS 614 CB -0.0031 -0.0050 0.0057 4509 LYS 614 HB2 -0.0031 -0.0052 0.0055 4510 LYS 614 HB3 -0.0033 -0.0051 0.0057 4511 LYS 614 CG -0.0033 -0.0049 0.0059 4512 LYS 614 HG2 -0.0032 -0.0046 0.0061 4513 LYS 614 HG3 -0.0031 -0.0048 0.0059 4514 LYS 614 CD -0.0036 -0.0051 0.0061 4515 LYS 614 HD2 -0.0037 -0.0051 0.0062 4516 LYS 614 HD3 -0.0036 -0.0053 0.0059 4517 LYS 614 CE -0.0037 -0.0050 0.0063 4518 LYS 614 HE2 -0.0036 -0.0050 0.0062 4519 LYS 614 HE3 -0.0037 -0.0048 0.0065 4520 LYS 614 NZ -0.0040 -0.0052 0.0064 4521 LYS 614 HZ1 -0.0040 -0.0055 0.0063 4522 LYS 614 HZ2 -0.0041 -0.0052 0.0066 4523 LYS 614 HZ3 -0.0041 -0.0052 0.0066 4524 MET 615 N -0.0032 -0.0032 0.0065 4525 MET 615 HN -0.0033 -0.0038 0.0061 4526 MET 615 CA -0.0028 -0.0028 0.0061 4527 MET 615 HA -0.0028 -0.0021 0.0066 4528 MET 615 C -0.0032 -0.0035 0.0060 4529 MET 615 O -0.0034 -0.0044 0.0057 4530 MET 615 CB -0.0022 -0.0025 0.0051 4531 MET 615 HB2 -0.0020 -0.0024 0.0048 4532 MET 615 HB3 -0.0023 -0.0032 0.0046 4533 MET 615 CG -0.0017 -0.0017 0.0050 4534 MET 615 HG2 -0.0013 -0.0017 0.0042 4535 MET 615 HG3 -0.0020 -0.0019 0.0053 4536 MET 615 SD -0.0014 -0.0005 0.0056 4537 MET 615 CE -0.0009 0.0002 0.0051 4538 MET 615 HE1 -0.0006 0.0010 0.0054 4539 MET 615 HE2 -0.0005 0.0001 0.0043 4540 MET 615 HE3 -0.0011 -0.0000 0.0054 4541 SER 616 N -0.0031 -0.0032 0.0063 4542 SER 616 HN -0.0030 -0.0025 0.0066 4543 SER 616 CA -0.0033 -0.0038 0.0061 4544 SER 616 HA -0.0037 -0.0045 0.0062 4545 SER 616 C -0.0028 -0.0039 0.0050 4546 SER 616 O -0.0023 -0.0033 0.0045 4547 SER 616 CB -0.0035 -0.0034 0.0067 4548 SER 616 HB2 -0.0039 -0.0035 0.0075 4549 SER 616 HB3 -0.0036 -0.0039 0.0065 4550 SER 616 OG -0.0030 -0.0024 0.0068 4551 SER 616 HG -0.0031 -0.0022 0.0072 4552 SER 617 N -0.0033 -0.0042 0.0057 4553 SER 617 HN -0.0037 -0.0047 0.0062 4554 SER 617 CA -0.0029 -0.0046 0.0047 4555 SER 617 HA -0.0027 -0.0046 0.0043 4556 SER 617 C -0.0025 -0.0039 0.0043 4557 SER 617 O -0.0026 -0.0040 0.0043 4558 SER 617 CB -0.0032 -0.0057 0.0047 4559 SER 617 HB2 -0.0035 -0.0058 0.0052 4560 SER 617 HB3 -0.0035 -0.0062 0.0048 4561 SER 617 OG -0.0029 -0.0061 0.0037 4562 SER 617 HG -0.0027 -0.0058 0.0037 4563 GLN 618 N -0.0020 -0.0031 0.0038 4564 GLN 618 HN -0.0020 -0.0029 0.0039 4565 GLN 618 CA -0.0015 -0.0026 0.0031 4566 GLN 618 HA -0.0016 -0.0029 0.0030 4567 GLN 618 C -0.0011 -0.0028 0.0021 4568 GLN 618 O -0.0009 -0.0023 0.0020 4569 GLN 618 CB -0.0013 -0.0014 0.0034 4570 GLN 618 HB2 -0.0016 -0.0013 0.0041 4571 GLN 618 HB3 -0.0014 -0.0011 0.0037 4572 GLN 618 CG -0.0008 -0.0006 0.0027 4573 GLN 618 HG2 -0.0005 -0.0007 0.0020 4574 GLN 618 HG3 -0.0007 0.0002 0.0030 4575 GLN 618 CD -0.0006 -0.0008 0.0023 4576 GLN 618 OE1 -0.0005 -0.0000 0.0025 4577 GLN 618 NE2 -0.0006 -0.0016 0.0017 4578 GLN 618 HE21 -0.0005 -0.0017 0.0016 4579 GLN 618 HE22 -0.0005 -0.0020 0.0013 4580 SER 619 N -0.0007 -0.0031 0.0020 4581 SER 619 HN -0.0010 -0.0037 0.0022 4582 SER 619 CA -0.0001 -0.0033 0.0007 4583 SER 619 HA -0.0001 -0.0031 0.0007 4584 SER 619 C 0.0006 -0.0021 -0.0001 4585 SER 619 O 0.0006 -0.0014 0.0003 4586 SER 619 CB -0.0001 -0.0047 -0.0001 4587 SER 619 HB2 -0.0001 -0.0049 -0.0003 4588 SER 619 HB3 -0.0007 -0.0055 0.0005 4589 SER 619 OG 0.0004 -0.0049 -0.0012 4590 SER 619 HG 0.0006 -0.0053 -0.0020 4591 MET 620 N 0.0013 -0.0019 -0.0012 4592 MET 620 HN 0.0012 -0.0026 -0.0015 4593 MET 620 CA 0.0020 -0.0010 -0.0021 4594 MET 620 HA 0.0021 -0.0012 -0.0023 4595 MET 620 C 0.0025 -0.0014 -0.0034 4596 MET 620 O 0.0024 -0.0018 -0.0034 4597 MET 620 CB 0.0022 0.0006 -0.0016 4598 MET 620 HB2 0.0023 0.0009 -0.0016 4599 MET 620 HB3 0.0017 0.0007 -0.0006 4600 MET 620 CG 0.0029 0.0017 -0.0022 4601 MET 620 HG2 0.0028 0.0027 -0.0016 4602 MET 620 HG3 0.0028 0.0013 -0.0023 4603 MET 620 SD 0.0038 0.0021 -0.0039 4604 MET 620 CE 0.0038 0.0029 -0.0034 4605 MET 620 HE1 0.0044 0.0034 -0.0043 4606 MET 620 HE2 0.0034 0.0021 -0.0031 4607 MET 620 HE3 0.0037 0.0038 -0.0026 4608 GLY 621 N 0.0029 -0.0008 -0.0042 4609 GLY 621 HN 0.0030 -0.0004 -0.0042 4610 GLY 621 CA 0.0033 -0.0012 -0.0056 4611 GLY 621 HA2 0.0032 -0.0013 -0.0055 4612 GLY 621 HA3 0.0032 -0.0021 -0.0061 4613 GLY 621 C 0.0040 0.0000 -0.0066 4614 GLY 621 O 0.0042 0.0005 -0.0068 4615 PHE 622 N 0.0044 0.0006 -0.0072 4616 PHE 622 HN 0.0042 0.0002 -0.0069 4617 PHE 622 CA 0.0052 0.0017 -0.0082 4618 PHE 622 HA 0.0053 0.0018 -0.0086 4619 PHE 622 C 0.0055 0.0013 -0.0095 4620 PHE 622 O 0.0052 0.0000 -0.0098 4621 PHE 622 CB 0.0054 0.0033 -0.0074 4622 PHE 622 HB2 0.0058 0.0041 -0.0080 4623 PHE 622 HB3 0.0050 0.0034 -0.0063 4624 PHE 622 CG 0.0055 0.0037 -0.0074 4625 PHE 622 CD1 0.0061 0.0051 -0.0077 4626 PHE 622 HD1 0.0064 0.0059 -0.0079 4627 PHE 622 CD2 0.0051 0.0028 -0.0071 4628 PHE 622 HD2 0.0047 0.0017 -0.0069 4629 PHE 622 CE1 0.0063 0.0056 -0.0078 4630 PHE 622 HE1 0.0067 0.0066 -0.0081 4631 PHE 622 CE2 0.0053 0.0032 -0.0073 4632 PHE 622 HE2 0.0050 0.0025 -0.0071 4633 PHE 622 CZ 0.0059 0.0046 -0.0076 4634 PHE 622 HZ 0.0060 0.0049 -0.0077 4635 LEU 623 N 0.0062 0.0025 -0.0105 4636 LEU 623 HN 0.0065 0.0035 -0.0103 4637 LEU 623 CA 0.0066 0.0024 -0.0117 4638 LEU 623 HA 0.0062 0.0015 -0.0116 4639 LEU 623 C 0.0071 0.0037 -0.0116 4640 LEU 623 O 0.0074 0.0049 -0.0113 4641 LEU 623 CB 0.0070 0.0022 -0.0131 4642 LEU 623 HB2 0.0074 0.0031 -0.0132 4643 LEU 623 HB3 0.0073 0.0022 -0.0139 4644 LEU 623 CG 0.0067 0.0009 -0.0135 4645 LEU 623 HG 0.0064 0.0009 -0.0126 4646 LEU 623 CD1 0.0072 0.0010 -0.0148 4647 LEU 623 HD11 0.0075 0.0010 -0.0157 4648 LEU 623 HD12 0.0075 0.0020 -0.0147 4649 LEU 623 HD13 0.0069 0.0001 -0.0150 4650 LEU 623 CD2 0.0062 -0.0005 -0.0135 4651 LEU 623 HD21 0.0064 -0.0005 -0.0143 4652 LEU 623 HD22 0.0059 -0.0013 -0.0138 4653 LEU 623 HD23 0.0058 -0.0006 -0.0125 4654 GLU 624 N 0.0071 0.0035 -0.0120 4655 GLU 624 HN 0.0069 0.0026 -0.0122 4656 GLU 624 CA 0.0077 0.0046 -0.0123 4657 GLU 624 HA 0.0081 0.0054 -0.0127 4658 GLU 624 C 0.0079 0.0041 -0.0136 4659 GLU 624 O 0.0079 0.0033 -0.0145 4660 GLU 624 CB 0.0075 0.0053 -0.0110 4661 GLU 624 HB2 0.0079 0.0063 -0.0113 4662 GLU 624 HB3 0.0073 0.0056 -0.0102 4663 GLU 624 CG 0.0069 0.0044 -0.0104 4664 GLU 624 HG2 0.0068 0.0034 -0.0111 4665 GLU 624 HG3 0.0064 0.0042 -0.0094 4666 GLU 624 CD 0.0072 0.0051 -0.0104 4667 GLU 624 OE1 0.0071 0.0060 -0.0093 4668 GLU 624 OE2 0.0074 0.0048 -0.0113 4669 GLY 625 N 0.0081 0.0048 -0.0137 4670 GLY 625 HN 0.0081 0.0055 -0.0129 4671 GLY 625 CA 0.0084 0.0045 -0.0148 4672 GLY 625 HA2 0.0086 0.0044 -0.0157 4673 GLY 625 HA3 0.0087 0.0054 -0.0147 4674 GLY 625 C 0.0078 0.0033 -0.0147 4675 GLY 625 O 0.0078 0.0024 -0.0157 4676 ASN 626 N 0.0073 0.0031 -0.0134 4677 ASN 626 HN 0.0073 0.0038 -0.0126 4678 ASN 626 CA 0.0067 0.0019 -0.0131 4679 ASN 626 HA 0.0069 0.0017 -0.0140 4680 ASN 626 C 0.0062 0.0007 -0.0131 4681 ASN 626 O 0.0058 0.0006 -0.0120 4682 ASN 626 CB 0.0064 0.0022 -0.0118 4683 ASN 626 HB2 0.0059 0.0012 -0.0117 4684 ASN 626 HB3 0.0061 0.0024 -0.0109 4685 ASN 626 CG 0.0068 0.0033 -0.0117 4686 ASN 626 OD1 0.0067 0.0030 -0.0118 4687 ASN 626 ND2 0.0072 0.0046 -0.0114 4688 ASN 626 HD21 0.0076 0.0053 -0.0115 4689 ASN 626 HD22 0.0073 0.0048 -0.0114 4690 ARG 627 N 0.0061 0.0004 -0.0141 4691 ARG 627 HN 0.0065 0.0006 -0.0150 4692 ARG 627 CA 0.0058 -0.0008 -0.0143 4693 ARG 627 HA 0.0060 -0.0004 -0.0144 4694 ARG 627 C 0.0052 -0.0018 -0.0131 4695 ARG 627 O 0.0049 -0.0023 -0.0128 4696 ARG 627 CB 0.0059 -0.0017 -0.0157 4697 ARG 627 HB2 0.0064 -0.0010 -0.0166 4698 ARG 627 HB3 0.0058 -0.0022 -0.0156 4699 ARG 627 CG 0.0057 -0.0029 -0.0163 4700 ARG 627 HG2 0.0052 -0.0037 -0.0154 4701 ARG 627 HG3 0.0058 -0.0035 -0.0172 4702 ARG 627 CD 0.0060 -0.0024 -0.0166 4703 ARG 627 HD2 0.0065 -0.0018 -0.0176 4704 ARG 627 HD3 0.0060 -0.0017 -0.0158 4705 ARG 627 NE 0.0057 -0.0036 -0.0169 4706 ARG 627 HE 0.0059 -0.0039 -0.0179 4707 ARG 627 CZ 0.0052 -0.0043 -0.0160 4708 ARG 627 NH1 0.0049 -0.0041 -0.0146 4709 ARG 627 HH11 0.0050 -0.0035 -0.0143 4710 ARG 627 HH12 0.0045 -0.0047 -0.0139 4711 ARG 627 NH2 0.0050 -0.0053 -0.0164 4712 ARG 627 HH21 0.0052 -0.0054 -0.0174 4713 ARG 627 HH22 0.0046 -0.0058 -0.0157 4714 PHE 628 N 0.0049 -0.0021 -0.0124 4715 PHE 628 HN 0.0051 -0.0017 -0.0128 4716 PHE 628 CA 0.0043 -0.0029 -0.0112 4717 PHE 628 HA 0.0040 -0.0038 -0.0114 4718 PHE 628 C 0.0041 -0.0022 -0.0097 4719 PHE 628 O 0.0036 -0.0029 -0.0087 4720 PHE 628 CB 0.0041 -0.0035 -0.0112 4721 PHE 628 HB2 0.0043 -0.0027 -0.0110 4722 PHE 628 HB3 0.0036 -0.0043 -0.0104 4723 PHE 628 CG 0.0042 -0.0043 -0.0126 4724 PHE 628 CD1 0.0040 -0.0056 -0.0131 4725 PHE 628 HD1 0.0036 -0.0061 -0.0124 4726 PHE 628 CD2 0.0047 -0.0037 -0.0135 4727 PHE 628 HD2 0.0049 -0.0027 -0.0132 4728 PHE 628 CE1 0.0041 -0.0063 -0.0144 4729 PHE 628 HE1 0.0039 -0.0073 -0.0148 4730 PHE 628 CE2 0.0048 -0.0044 -0.0148 4731 PHE 628 HE2 0.0052 -0.0039 -0.0155 4732 PHE 628 CZ 0.0046 -0.0057 -0.0153 4733 PHE 628 HZ 0.0047 -0.0062 -0.0163 4734 LYS 629 N 0.0044 -0.0013 -0.0095 4735 LYS 629 HN 0.0048 -0.0007 -0.0102 4736 LYS 629 CA 0.0042 -0.0005 -0.0082 4737 LYS 629 HA 0.0038 -0.0010 -0.0074 4738 LYS 629 C 0.0041 -0.0005 -0.0079 4739 LYS 629 O 0.0044 -0.0004 -0.0087 4740 LYS 629 CB 0.0046 0.0010 -0.0080 4741 LYS 629 HB2 0.0051 0.0015 -0.0088 4742 LYS 629 HB3 0.0044 0.0014 -0.0070 4743 LYS 629 CG 0.0047 0.0012 -0.0080 4744 LYS 629 HG2 0.0042 0.0005 -0.0073 4745 LYS 629 HG3 0.0049 0.0009 -0.0090 4746 LYS 629 CD 0.0050 0.0026 -0.0076 4747 LYS 629 HD2 0.0052 0.0028 -0.0080 4748 LYS 629 HD3 0.0047 0.0028 -0.0065 4749 LYS 629 CE 0.0055 0.0037 -0.0080 4750 LYS 629 HE2 0.0053 0.0037 -0.0075 4751 LYS 629 HE3 0.0058 0.0034 -0.0091 4752 LYS 629 NZ 0.0059 0.0051 -0.0079 4753 LYS 629 HZ1 0.0057 0.0055 -0.0069 4754 LYS 629 HZ2 0.0063 0.0056 -0.0084 4755 LYS 629 HZ3 0.0061 0.0052 -0.0084 4756 LEU 630 N 0.0036 -0.0005 -0.0066 4757 LEU 630 HN 0.0033 -0.0006 -0.0059 4758 LEU 630 CA 0.0034 -0.0004 -0.0060 4759 LEU 630 HA 0.0039 0.0003 -0.0066 4760 LEU 630 C 0.0032 0.0003 -0.0046 4761 LEU 630 O 0.0029 0.0003 -0.0039 4762 LEU 630 CB 0.0030 -0.0018 -0.0061 4763 LEU 630 HB2 0.0032 -0.0023 -0.0070 4764 LEU 630 HB3 0.0026 -0.0023 -0.0053 4765 LEU 630 CG 0.0030 -0.0018 -0.0060 4766 LEU 630 HG 0.0029 -0.0011 -0.0051 4767 LEU 630 CD1 0.0036 -0.0012 -0.0072 4768 LEU 630 HD11 0.0037 -0.0019 -0.0081 4769 LEU 630 HD12 0.0040 -0.0002 -0.0073 4770 LEU 630 HD13 0.0035 -0.0012 -0.0070 4771 LEU 630 CD2 0.0024 -0.0032 -0.0058 4772 LEU 630 HD21 0.0025 -0.0039 -0.0066 4773 LEU 630 HD22 0.0024 -0.0031 -0.0056 4774 LEU 630 HD23 0.0020 -0.0035 -0.0049 4775 LEU 631 N 0.0034 0.0006 -0.0046 4776 LEU 631 HN 0.0036 0.0004 -0.0052 4777 LEU 631 CA 0.0032 0.0014 -0.0034 4778 LEU 631 HA 0.0031 0.0017 -0.0029 4779 LEU 631 C 0.0025 0.0007 -0.0024 4780 LEU 631 O 0.0024 -0.0002 -0.0028 4781 LEU 631 CB 0.0038 0.0028 -0.0035 4782 LEU 631 HB2 0.0039 0.0025 -0.0042 4783 LEU 631 HB3 0.0035 0.0032 -0.0025 4784 LEU 631 CG 0.0044 0.0039 -0.0040 4785 LEU 631 HG 0.0047 0.0035 -0.0050 4786 LEU 631 CD1 0.0050 0.0051 -0.0044 4787 LEU 631 HD11 0.0048 0.0056 -0.0034 4788 LEU 631 HD12 0.0051 0.0047 -0.0050 4789 LEU 631 HD13 0.0054 0.0058 -0.0049 4790 LEU 631 CD2 0.0042 0.0045 -0.0031 4791 LEU 631 HD21 0.0039 0.0048 -0.0021 4792 LEU 631 HD22 0.0047 0.0054 -0.0035 4793 LEU 631 HD23 0.0039 0.0038 -0.0031 4794 PHE 632 N 0.0021 0.0011 -0.0011 4795 PHE 632 HN 0.0022 0.0017 -0.0008 4796 PHE 632 CA 0.0015 0.0009 0.0001 4797 PHE 632 HA 0.0015 0.0004 -0.0003 4798 PHE 632 C 0.0017 0.0022 0.0009 4799 PHE 632 O 0.0020 0.0032 0.0009 4800 PHE 632 CB 0.0008 -0.0001 0.0010 4801 PHE 632 HB2 0.0009 -0.0001 0.0008 4802 PHE 632 HB3 0.0005 0.0004 0.0021 4803 PHE 632 CG 0.0004 -0.0015 0.0008 4804 PHE 632 CD1 0.0005 -0.0024 -0.0003 4805 PHE 632 HD1 0.0010 -0.0020 -0.0011 4806 PHE 632 CD2 -0.0003 -0.0019 0.0019 4807 PHE 632 HD2 -0.0004 -0.0013 0.0028 4808 PHE 632 CE1 0.0001 -0.0037 -0.0005 4809 PHE 632 HE1 0.0003 -0.0044 -0.0014 4810 PHE 632 CE2 -0.0007 -0.0033 0.0017 4811 PHE 632 HE2 -0.0011 -0.0036 0.0025 4812 PHE 632 CZ -0.0005 -0.0042 0.0006 4813 PHE 632 HZ -0.0008 -0.0052 0.0005 4814 LYS 633 N 0.0014 0.0021 0.0012 4815 LYS 633 HN 0.0011 0.0013 0.0012 4816 LYS 633 CA 0.0015 0.0033 0.0020 4817 LYS 633 HA 0.0015 0.0039 0.0023 4818 LYS 633 C 0.0008 0.0030 0.0032 4819 LYS 633 O 0.0004 0.0020 0.0033 4820 LYS 633 CB 0.0022 0.0042 0.0012 4821 LYS 633 HB2 0.0022 0.0051 0.0019 4822 LYS 633 HB3 0.0026 0.0047 0.0006 4823 LYS 633 CG 0.0023 0.0036 0.0004 4824 LYS 633 HG2 0.0029 0.0043 -0.0002 4825 LYS 633 HG3 0.0024 0.0027 -0.0003 4826 LYS 633 CD 0.0019 0.0030 0.0010 4827 LYS 633 HD2 0.0013 0.0023 0.0016 4828 LYS 633 HD3 0.0020 0.0025 0.0002 4829 LYS 633 CE 0.0019 0.0041 0.0018 4830 LYS 633 HE2 0.0024 0.0049 0.0012 4831 LYS 633 HE3 0.0017 0.0046 0.0026 4832 LYS 633 NZ 0.0014 0.0036 0.0023 4833 LYS 633 HZ1 0.0017 0.0042 0.0022 4834 LYS 633 HZ2 0.0010 0.0037 0.0033 4835 LYS 633 HZ3 0.0012 0.0026 0.0020 4836 VAL 634 N 0.0007 0.0040 0.0042 4837 VAL 634 HN 0.0011 0.0049 0.0041 4838 VAL 634 CA 0.0001 0.0041 0.0055 4839 VAL 634 HA -0.0003 0.0031 0.0056 4840 VAL 634 C 0.0004 0.0049 0.0056 4841 VAL 634 O 0.0010 0.0057 0.0048 4842 VAL 634 CB -0.0002 0.0046 0.0067 4843 VAL 634 HB -0.0006 0.0046 0.0076 4844 VAL 634 CG1 -0.0006 0.0036 0.0068 4845 VAL 634 HG11 -0.0003 0.0035 0.0059 4846 VAL 634 HG12 -0.0010 0.0025 0.0068 4847 VAL 634 HG13 -0.0009 0.0039 0.0076 4848 VAL 634 CG2 0.0003 0.0060 0.0067 4849 VAL 634 HG21 0.0007 0.0061 0.0058 4850 VAL 634 HG22 -0.0000 0.0063 0.0075 4851 VAL 634 HG23 0.0005 0.0068 0.0066 4852 ALA 635 N -0.0001 0.0049 0.0071 4853 ALA 635 HN -0.0007 0.0040 0.0078 4854 ALA 635 CA -0.0000 0.0057 0.0075 4855 ALA 635 HA -0.0007 0.0051 0.0085 4856 ALA 635 C 0.0004 0.0053 0.0062 4857 ALA 635 O 0.0005 0.0041 0.0051 4858 ALA 635 CB 0.0003 0.0076 0.0081 4859 ALA 635 HB1 0.0009 0.0083 0.0071 4860 ALA 635 HB2 -0.0001 0.0078 0.0091 4861 ALA 635 HB3 0.0002 0.0082 0.0087 4862 LEU 636 N 0.0007 0.0063 0.0063 4863 LEU 636 HN 0.0005 0.0072 0.0072 4864 LEU 636 CA 0.0011 0.0061 0.0052 4865 LEU 636 HA 0.0008 0.0048 0.0050 4866 LEU 636 C 0.0020 0.0067 0.0035 4867 LEU 636 O 0.0022 0.0056 0.0023 4868 LEU 636 CB 0.0011 0.0071 0.0059 4869 LEU 636 HB2 0.0013 0.0085 0.0063 4870 LEU 636 HB3 0.0015 0.0072 0.0049 4871 LEU 636 CG 0.0003 0.0065 0.0074 4872 LEU 636 HG 0.0004 0.0074 0.0076 4873 LEU 636 CD1 -0.0001 0.0047 0.0070 4874 LEU 636 HD11 -0.0003 0.0037 0.0067 4875 LEU 636 HD12 0.0004 0.0047 0.0059 4876 LEU 636 HD13 -0.0006 0.0044 0.0080 4877 LEU 636 CD2 -0.0004 0.0066 0.0090 4878 LEU 636 HD21 -0.0006 0.0057 0.0089 4879 LEU 636 HD22 -0.0009 0.0064 0.0100 4880 LEU 636 HD23 -0.0001 0.0080 0.0093 4881 GLU 637 N 0.0029 0.0082 0.0037 4882 GLU 637 HN 0.0029 0.0089 0.0047 4883 GLU 637 CA 0.0039 0.0090 0.0025 4884 GLU 637 HA 0.0042 0.0086 0.0015 4885 GLU 637 C 0.0039 0.0085 0.0020 4886 GLU 637 O 0.0033 0.0082 0.0029 4887 GLU 637 CB 0.0045 0.0108 0.0030 4888 GLU 637 HB2 0.0043 0.0112 0.0039 4889 GLU 637 HB3 0.0052 0.0113 0.0019 4890 GLU 637 CG 0.0047 0.0116 0.0035 4891 GLU 637 HG2 0.0052 0.0129 0.0038 4892 GLU 637 HG3 0.0040 0.0112 0.0046 4893 GLU 637 CD 0.0050 0.0112 0.0023 4894 GLU 637 OE1 0.0059 0.0118 0.0010 4895 GLU 637 OE2 0.0045 0.0104 0.0026 4896 ASP 638 N 0.0045 0.0084 0.0004 4897 ASP 638 HN 0.0049 0.0085 -0.0004 4898 ASP 638 CA 0.0048 0.0083 -0.0003 4899 ASP 638 HA 0.0041 0.0076 0.0004 4900 ASP 638 C 0.0055 0.0100 -0.0000 4901 ASP 638 O 0.0063 0.0107 -0.0011 4902 ASP 638 CB 0.0051 0.0074 -0.0020 4903 ASP 638 HB2 0.0058 0.0081 -0.0028 4904 ASP 638 HB3 0.0046 0.0062 -0.0021 4905 ASP 638 CG 0.0052 0.0070 -0.0027 4906 ASP 638 OD1 0.0059 0.0081 -0.0031 4907 ASP 638 OD2 0.0046 0.0056 -0.0027 4908 VAL 639 N 0.0052 0.0105 0.0012 4909 VAL 639 HN 0.0045 0.0099 0.0021 4910 VAL 639 CA 0.0057 0.0121 0.0017 4911 VAL 639 HA 0.0064 0.0128 0.0010 4912 VAL 639 C 0.0059 0.0120 0.0013 4913 VAL 639 O 0.0052 0.0111 0.0018 4914 VAL 639 CB 0.0053 0.0129 0.0034 4915 VAL 639 HB 0.0052 0.0128 0.0035 4916 VAL 639 CG1 0.0060 0.0146 0.0036 4917 VAL 639 HG11 0.0062 0.0148 0.0035 4918 VAL 639 HG12 0.0057 0.0152 0.0048 4919 VAL 639 HG13 0.0067 0.0152 0.0028 4920 VAL 639 CG2 0.0043 0.0121 0.0046 4921 VAL 639 HG21 0.0044 0.0122 0.0046 4922 VAL 639 HG22 0.0038 0.0109 0.0045 4923 VAL 639 HG23 0.0040 0.0127 0.0058 4924 GLN 640 N 0.0068 0.0129 0.0003 4925 GLN 640 HN 0.0073 0.0135 -0.0001 4926 GLN 640 CA 0.0071 0.0131 -0.0003 4927 GLN 640 HA 0.0067 0.0119 -0.0006 4928 GLN 640 C 0.0069 0.0138 0.0011 4929 GLN 640 O 0.0066 0.0145 0.0023 4930 GLN 640 CB 0.0082 0.0138 -0.0017 4931 GLN 640 HB2 0.0086 0.0147 -0.0017 4932 GLN 640 HB3 0.0086 0.0145 -0.0017 4933 GLN 640 CG 0.0084 0.0127 -0.0033 4934 GLN 640 HG2 0.0085 0.0125 -0.0037 4935 GLN 640 HG3 0.0091 0.0133 -0.0042 4936 GLN 640 CD 0.0077 0.0111 -0.0034 4937 GLN 640 OE1 0.0072 0.0099 -0.0035 4938 GLN 640 NE2 0.0076 0.0110 -0.0033 4939 GLN 640 HE21 0.0071 0.0100 -0.0033 4940 GLN 640 HE22 0.0080 0.0119 -0.0032 4941 ILE 641 N 0.0071 0.0137 0.0003 4942 ILE 641 HN 0.0074 0.0132 -0.0008 4943 ILE 641 CA 0.0066 0.0139 0.0016 4944 ILE 641 HA 0.0068 0.0136 0.0008 4945 ILE 641 C 0.0055 0.0125 0.0027 4946 ILE 641 O 0.0051 0.0116 0.0027 4947 ILE 641 CB 0.0070 0.0157 0.0025 4948 ILE 641 HB 0.0066 0.0156 0.0032 4949 ILE 641 CG1 0.0068 0.0166 0.0039 4950 ILE 641 HG12 0.0073 0.0171 0.0033 4951 ILE 641 HG13 0.0060 0.0157 0.0047 4952 ILE 641 CG2 0.0082 0.0169 0.0012 4953 ILE 641 HG21 0.0086 0.0172 0.0005 4954 ILE 641 HG22 0.0083 0.0163 0.0003 4955 ILE 641 HG23 0.0084 0.0181 0.0019 4956 ILE 641 CD1 0.0069 0.0181 0.0052 4957 ILE 641 HD11 0.0077 0.0192 0.0045 4958 ILE 641 HD12 0.0064 0.0177 0.0059 4959 ILE 641 HD13 0.0068 0.0186 0.0062 4960 SER 642 N 0.0049 0.0123 0.0037 4961 SER 642 HN 0.0053 0.0131 0.0037 4962 SER 642 CA 0.0038 0.0109 0.0047 4963 SER 642 HA 0.0035 0.0108 0.0054 4964 SER 642 C 0.0036 0.0092 0.0036 4965 SER 642 O 0.0031 0.0083 0.0037 4966 SER 642 CB 0.0034 0.0113 0.0061 4967 SER 642 HB2 0.0026 0.0102 0.0068 4968 SER 642 HB3 0.0037 0.0114 0.0054 4969 SER 642 OG 0.0036 0.0128 0.0073 4970 SER 642 HG 0.0031 0.0126 0.0081 4971 LYS 643 N 0.0039 0.0081 0.0022 4972 LYS 643 HN 0.0041 0.0086 0.0021 4973 LYS 643 CA 0.0038 0.0069 0.0010 4974 LYS 643 HA 0.0035 0.0062 0.0013 4975 LYS 643 C 0.0035 0.0059 0.0009 4976 LYS 643 O 0.0038 0.0063 0.0004 4977 LYS 643 CB 0.0045 0.0074 -0.0005 4978 LYS 643 HB2 0.0049 0.0081 -0.0008 4979 LYS 643 HB3 0.0045 0.0065 -0.0013 4980 LYS 643 CG 0.0049 0.0084 -0.0006 4981 LYS 643 HG2 0.0050 0.0093 0.0003 4982 LYS 643 HG3 0.0055 0.0088 -0.0016 4983 LYS 643 CD 0.0046 0.0076 -0.0004 4984 LYS 643 HD2 0.0049 0.0084 -0.0003 4985 LYS 643 HD3 0.0040 0.0072 0.0007 4986 LYS 643 CE 0.0045 0.0064 -0.0016 4987 LYS 643 HE2 0.0041 0.0057 -0.0012 4988 LYS 643 HE3 0.0043 0.0056 -0.0018 4989 LYS 643 NZ 0.0052 0.0069 -0.0029 4990 LYS 643 HZ1 0.0052 0.0072 -0.0028 4991 LYS 643 HZ2 0.0052 0.0062 -0.0038 4992 LYS 643 HZ3 0.0056 0.0079 -0.0031 4993 ASP 644 N 0.0028 0.0046 0.0014 4994 ASP 644 HN 0.0026 0.0043 0.0017 4995 ASP 644 CA 0.0024 0.0035 0.0014 4996 ASP 644 HA 0.0026 0.0041 0.0016 4997 ASP 644 C 0.0026 0.0027 -0.0002 4998 ASP 644 O 0.0024 0.0018 -0.0006 4999 ASP 644 CB 0.0016 0.0025 0.0026 5000 ASP 644 HB2 0.0013 0.0017 0.0025 5001 ASP 644 HB3 0.0014 0.0020 0.0026 5002 ASP 644 CG 0.0014 0.0033 0.0041 5003 ASP 644 OD1 0.0011 0.0034 0.0050 5004 ASP 644 OD2 0.0015 0.0039 0.0044 5005 THR 645 N 0.0027 0.0029 -0.0006 5006 THR 645 HN 0.0028 0.0035 -0.0002 5007 THR 645 CA 0.0029 0.0021 -0.0019 5008 THR 645 HA 0.0030 0.0018 -0.0024 5009 THR 645 C 0.0023 0.0008 -0.0016 5010 THR 645 O 0.0023 0.0006 -0.0018 5011 THR 645 CB 0.0036 0.0028 -0.0029 5012 THR 645 HB 0.0035 0.0028 -0.0027 5013 THR 645 OG1 0.0041 0.0041 -0.0030 5014 THR 645 HG1 0.0039 0.0045 -0.0021 5015 THR 645 CG2 0.0038 0.0021 -0.0044 5016 THR 645 HG21 0.0040 0.0021 -0.0047 5017 THR 645 HG22 0.0035 0.0011 -0.0045 5018 THR 645 HG23 0.0043 0.0027 -0.0050 5019 LEU 646 N 0.0018 -0.0001 -0.0011 5020 LEU 646 HN 0.0019 0.0002 -0.0011 5021 LEU 646 CA 0.0011 -0.0012 -0.0005 5022 LEU 646 HA 0.0010 -0.0012 -0.0004 5023 LEU 646 C 0.0008 -0.0025 -0.0011 5024 LEU 646 O 0.0003 -0.0035 -0.0008 5025 LEU 646 CB 0.0007 -0.0009 0.0010 5026 LEU 646 HB2 0.0009 0.0001 0.0014 5027 LEU 646 HB3 0.0007 -0.0008 0.0010 5028 LEU 646 CG -0.0001 -0.0018 0.0020 5029 LEU 646 HG -0.0002 -0.0024 0.0016 5030 LEU 646 CD1 -0.0003 -0.0010 0.0033 5031 LEU 646 HD11 -0.0003 -0.0005 0.0039 5032 LEU 646 HD12 0.0001 -0.0003 0.0031 5033 LEU 646 HD13 -0.0008 -0.0017 0.0040 5034 LEU 646 CD2 -0.0006 -0.0028 0.0022 5035 LEU 646 HD21 -0.0005 -0.0023 0.0027 5036 LEU 646 HD22 -0.0011 -0.0035 0.0029 5037 LEU 646 HD23 -0.0004 -0.0034 0.0013 5038 SER 647 N 0.0012 -0.0020 -0.0016 5039 SER 647 HN 0.0015 -0.0012 -0.0018 5040 SER 647 CA 0.0011 -0.0031 -0.0025 5041 SER 647 HA 0.0007 -0.0039 -0.0021 5042 SER 647 C 0.0016 -0.0031 -0.0038 5043 SER 647 O 0.0016 -0.0038 -0.0047 5044 SER 647 CB 0.0011 -0.0032 -0.0026 5045 SER 647 HB2 0.0007 -0.0035 -0.0017 5046 SER 647 HB3 0.0011 -0.0039 -0.0033 5047 SER 647 OG 0.0016 -0.0020 -0.0028 5048 SER 647 HG 0.0016 -0.0022 -0.0028 5049 GLN 648 N 0.0019 -0.0024 -0.0040 5050 GLN 648 HN 0.0019 -0.0018 -0.0033 5051 GLN 648 CA 0.0022 -0.0026 -0.0050 5052 GLN 648 HA 0.0024 -0.0026 -0.0059 5053 GLN 648 C 0.0018 -0.0039 -0.0051 5054 GLN 648 O 0.0013 -0.0044 -0.0041 5055 GLN 648 CB 0.0026 -0.0016 -0.0052 5056 GLN 648 HB2 0.0029 -0.0016 -0.0062 5057 GLN 648 HB3 0.0028 -0.0006 -0.0049 5058 GLN 648 CG 0.0024 -0.0015 -0.0045 5059 GLN 648 HG2 0.0020 -0.0016 -0.0035 5060 GLN 648 HG3 0.0027 -0.0006 -0.0046 5061 GLN 648 CD 0.0022 -0.0026 -0.0050 5062 GLN 648 OE1 0.0017 -0.0033 -0.0044 5063 GLN 648 NE2 0.0026 -0.0026 -0.0062 5064 GLN 648 HE21 0.0025 -0.0033 -0.0066 5065 GLN 648 HE22 0.0030 -0.0019 -0.0067 5066 LEU 649 N 0.0019 -0.0038 -0.0061 5067 LEU 649 HN 0.0023 -0.0034 -0.0070 5068 LEU 649 CA 0.0016 -0.0053 -0.0063 5069 LEU 649 HA 0.0013 -0.0055 -0.0054 5070 LEU 649 C 0.0018 -0.0055 -0.0074 5071 LEU 649 O 0.0023 -0.0047 -0.0082 5072 LEU 649 CB 0.0015 -0.0063 -0.0066 5073 LEU 649 HB2 0.0017 -0.0057 -0.0068 5074 LEU 649 HB3 0.0016 -0.0070 -0.0076 5075 LEU 649 CG 0.0009 -0.0073 -0.0055 5076 LEU 649 HG 0.0008 -0.0080 -0.0059 5077 LEU 649 CD1 0.0006 -0.0082 -0.0051 5078 LEU 649 HD11 0.0006 -0.0076 -0.0045 5079 LEU 649 HD12 0.0007 -0.0088 -0.0060 5080 LEU 649 HD13 0.0002 -0.0090 -0.0044 5081 LEU 649 CD2 0.0007 -0.0065 -0.0042 5082 LEU 649 HD21 0.0007 -0.0058 -0.0036 5083 LEU 649 HD22 0.0003 -0.0073 -0.0034 5084 LEU 649 HD23 0.0009 -0.0059 -0.0045 5085 GLU 650 N 0.0015 -0.0068 -0.0073 5086 GLU 650 HN 0.0012 -0.0073 -0.0065 5087 GLU 650 CA 0.0016 -0.0076 -0.0083 5088 GLU 650 HA 0.0018 -0.0070 -0.0084 5089 GLU 650 C 0.0020 -0.0077 -0.0097 5090 GLU 650 O 0.0023 -0.0073 -0.0107 5091 GLU 650 CB 0.0011 -0.0090 -0.0076 5092 GLU 650 HB2 0.0009 -0.0088 -0.0066 5093 GLU 650 HB3 0.0009 -0.0095 -0.0075 5094 GLU 650 CG 0.0011 -0.0100 -0.0084 5095 GLU 650 HG2 0.0011 -0.0097 -0.0084 5096 GLU 650 HG3 0.0013 -0.0102 -0.0095 5097 GLU 650 CD 0.0005 -0.0114 -0.0077 5098 GLU 650 OE1 0.0003 -0.0119 -0.0072 5099 GLU 650 OE2 0.0004 -0.0121 -0.0078 5100 GLU 651 N 0.0022 -0.0088 -0.0105 5101 GLU 651 HN 0.0018 -0.0092 -0.0095 5102 GLU 651 CA 0.0025 -0.0092 -0.0119 5103 GLU 651 HA 0.0029 -0.0084 -0.0127 5104 GLU 651 C 0.0025 -0.0090 -0.0118 5105 GLU 651 O 0.0023 -0.0087 -0.0105 5106 GLU 651 CB 0.0023 -0.0108 -0.0125 5107 GLU 651 HB2 0.0024 -0.0106 -0.0127 5108 GLU 651 HB3 0.0019 -0.0116 -0.0116 5109 GLU 651 CG 0.0026 -0.0115 -0.0141 5110 GLU 651 HG2 0.0026 -0.0122 -0.0147 5111 GLU 651 HG3 0.0030 -0.0106 -0.0148 5112 GLU 651 CD 0.0022 -0.0127 -0.0137 5113 GLU 651 OE1 0.0018 -0.0139 -0.0132 5114 GLU 651 OE2 0.0024 -0.0124 -0.0140 5115 VAL 652 N 0.0029 -0.0090 -0.0131 5116 VAL 652 HN 0.0031 -0.0095 -0.0140 5117 VAL 652 CA 0.0031 -0.0086 -0.0134 5118 VAL 652 HA 0.0032 -0.0074 -0.0128 5119 VAL 652 C 0.0027 -0.0096 -0.0127 5120 VAL 652 O 0.0026 -0.0089 -0.0119 5121 VAL 652 CB 0.0037 -0.0084 -0.0151 5122 VAL 652 HB 0.0040 -0.0076 -0.0155 5123 VAL 652 CG1 0.0039 -0.0075 -0.0154 5124 VAL 652 HG11 0.0037 -0.0082 -0.0151 5125 VAL 652 HG12 0.0043 -0.0073 -0.0166 5126 VAL 652 HG13 0.0040 -0.0064 -0.0147 5127 VAL 652 CG2 0.0036 -0.0099 -0.0162 5128 VAL 652 HG21 0.0033 -0.0107 -0.0159 5129 VAL 652 HG22 0.0034 -0.0104 -0.0160 5130 VAL 652 HG23 0.0040 -0.0096 -0.0174 5131 GLU 653 N 0.0025 -0.0106 -0.0131 5132 GLU 653 HN 0.0025 -0.0112 -0.0138 5133 GLU 653 CA 0.0019 -0.0118 -0.0121 5134 GLU 653 HA 0.0021 -0.0115 -0.0124 5135 GLU 653 C 0.0015 -0.0115 -0.0102 5136 GLU 653 O 0.0013 -0.0112 -0.0093 5137 GLU 653 CB 0.0016 -0.0137 -0.0126 5138 GLU 653 HB2 0.0016 -0.0139 -0.0126 5139 GLU 653 HB3 0.0012 -0.0145 -0.0116 5140 GLU 653 CG 0.0019 -0.0145 -0.0143 5141 GLU 653 HG2 0.0024 -0.0138 -0.0154 5142 GLU 653 HG3 0.0020 -0.0143 -0.0144 5143 GLU 653 CD 0.0016 -0.0164 -0.0146 5144 GLU 653 OE1 0.0011 -0.0171 -0.0135 5145 GLU 653 OE2 0.0018 -0.0171 -0.0160 5146 ARG 654 N 0.0013 -0.0114 -0.0097 5147 ARG 654 HN 0.0015 -0.0116 -0.0105 5148 ARG 654 CA 0.0009 -0.0111 -0.0079 5149 ARG 654 HA 0.0005 -0.0121 -0.0072 5150 ARG 654 C 0.0011 -0.0094 -0.0071 5151 ARG 654 O 0.0007 -0.0095 -0.0057 5152 ARG 654 CB 0.0009 -0.0110 -0.0078 5153 ARG 654 HB2 0.0013 -0.0097 -0.0081 5154 ARG 654 HB3 0.0005 -0.0112 -0.0065 5155 ARG 654 CG 0.0010 -0.0123 -0.0090 5156 ARG 654 HG2 0.0009 -0.0122 -0.0087 5157 ARG 654 HG3 0.0014 -0.0119 -0.0103 5158 ARG 654 CD 0.0005 -0.0142 -0.0089 5159 ARG 654 HD2 0.0003 -0.0144 -0.0084 5160 ARG 654 HD3 0.0001 -0.0149 -0.0080 5161 ARG 654 NE 0.0008 -0.0151 -0.0106 5162 ARG 654 HE 0.0012 -0.0145 -0.0115 5163 ARG 654 CZ 0.0008 -0.0161 -0.0114 5164 ARG 654 NH1 0.0005 -0.0168 -0.0107 5165 ARG 654 HH11 0.0002 -0.0165 -0.0096 5166 ARG 654 HH12 0.0006 -0.0172 -0.0117 5167 ARG 654 NH2 0.0012 -0.0164 -0.0131 5168 ARG 654 HH21 0.0015 -0.0154 -0.0136 5169 ARG 654 HH22 0.0012 -0.0168 -0.0136 5170 LYS 655 N 0.0019 -0.0086 -0.0084 5171 LYS 655 HN 0.0021 -0.0086 -0.0092 5172 LYS 655 CA 0.0022 -0.0074 -0.0081 5173 LYS 655 HA 0.0020 -0.0070 -0.0071 5174 LYS 655 C 0.0021 -0.0076 -0.0080 5175 LYS 655 O 0.0019 -0.0073 -0.0070 5176 LYS 655 CB 0.0027 -0.0062 -0.0090 5177 LYS 655 HB2 0.0027 -0.0060 -0.0089 5178 LYS 655 HB3 0.0028 -0.0066 -0.0101 5179 LYS 655 CG 0.0029 -0.0049 -0.0088 5180 LYS 655 HG2 0.0029 -0.0052 -0.0090 5181 LYS 655 HG3 0.0027 -0.0046 -0.0077 5182 LYS 655 CD 0.0034 -0.0038 -0.0096 5183 LYS 655 HD2 0.0036 -0.0042 -0.0106 5184 LYS 655 HD3 0.0034 -0.0034 -0.0092 5185 LYS 655 CE 0.0037 -0.0027 -0.0096 5186 LYS 655 HE2 0.0035 -0.0024 -0.0086 5187 LYS 655 HE3 0.0038 -0.0031 -0.0102 5188 LYS 655 NZ 0.0042 -0.0015 -0.0103 5189 LYS 655 HZ1 0.0041 -0.0009 -0.0096 5190 LYS 655 HZ2 0.0044 -0.0010 -0.0106 5191 LYS 655 HZ3 0.0043 -0.0018 -0.0111 5192 LEU 656 N 0.0022 -0.0081 -0.0091 5193 LEU 656 HN 0.0024 -0.0084 -0.0099 5194 LEU 656 CA 0.0022 -0.0085 -0.0092 5195 LEU 656 HA 0.0024 -0.0076 -0.0091 5196 LEU 656 C 0.0017 -0.0093 -0.0081 5197 LEU 656 O 0.0016 -0.0088 -0.0073 5198 LEU 656 CB 0.0023 -0.0092 -0.0106 5199 LEU 656 HB2 0.0023 -0.0097 -0.0110 5200 LEU 656 HB3 0.0021 -0.0100 -0.0104 5201 LEU 656 CG 0.0028 -0.0084 -0.0116 5202 LEU 656 HG 0.0029 -0.0091 -0.0125 5203 LEU 656 CD1 0.0028 -0.0079 -0.0112 5204 LEU 656 HD11 0.0028 -0.0071 -0.0104 5205 LEU 656 HD12 0.0026 -0.0087 -0.0109 5206 LEU 656 HD13 0.0032 -0.0074 -0.0121 5207 LEU 656 CD2 0.0032 -0.0073 -0.0121 5208 LEU 656 HD21 0.0032 -0.0065 -0.0113 5209 LEU 656 HD22 0.0035 -0.0068 -0.0129 5210 LEU 656 HD23 0.0032 -0.0077 -0.0124 5211 GLU 657 N 0.0014 -0.0099 -0.0068 5212 GLU 657 HN 0.0016 -0.0102 -0.0075 5213 GLU 657 CA 0.0009 -0.0109 -0.0057 5214 GLU 657 HA 0.0008 -0.0112 -0.0057 5215 GLU 657 C 0.0006 -0.0102 -0.0042 5216 GLU 657 O 0.0003 -0.0104 -0.0033 5217 GLU 657 CB 0.0006 -0.0123 -0.0058 5218 GLU 657 HB2 0.0006 -0.0120 -0.0056 5219 GLU 657 HB3 0.0002 -0.0130 -0.0050 5220 GLU 657 CG 0.0009 -0.0132 -0.0073 5221 GLU 657 HG2 0.0005 -0.0143 -0.0071 5222 GLU 657 HG3 0.0011 -0.0129 -0.0079 5223 GLU 657 CD 0.0011 -0.0130 -0.0081 5224 GLU 657 OE1 0.0009 -0.0133 -0.0075 5225 GLU 657 OE2 0.0016 -0.0126 -0.0093 5226 SER 658 N 0.0007 -0.0093 -0.0039 5227 SER 658 HN 0.0010 -0.0092 -0.0047 5228 SER 658 CA 0.0006 -0.0083 -0.0027 5229 SER 658 HA 0.0002 -0.0089 -0.0018 5230 SER 658 C 0.0007 -0.0073 -0.0024 5231 SER 658 O 0.0004 -0.0075 -0.0013 5232 SER 658 CB 0.0008 -0.0073 -0.0027 5233 SER 658 HB2 0.0007 -0.0066 -0.0017 5234 SER 658 HB3 0.0012 -0.0066 -0.0036 5235 SER 658 OG 0.0007 -0.0082 -0.0029 5236 SER 658 HG 0.0009 -0.0085 -0.0039 5237 SER 659 N 0.0015 -0.0073 -0.0040 5238 SER 659 HN 0.0017 -0.0073 -0.0048 5239 SER 659 CA 0.0017 -0.0064 -0.0039 5240 SER 659 HA 0.0016 -0.0057 -0.0031 5241 SER 659 C 0.0014 -0.0072 -0.0035 5242 SER 659 O 0.0013 -0.0067 -0.0026 5243 SER 659 CB 0.0022 -0.0056 -0.0052 5244 SER 659 HB2 0.0023 -0.0052 -0.0055 5245 SER 659 HB3 0.0023 -0.0047 -0.0050 5246 SER 659 OG 0.0023 -0.0063 -0.0064 5247 SER 659 HG 0.0021 -0.0072 -0.0064 5248 ARG 660 N 0.0014 -0.0083 -0.0043 5249 ARG 660 HN 0.0015 -0.0086 -0.0051 5250 ARG 660 CA 0.0011 -0.0092 -0.0040 5251 ARG 660 HA 0.0013 -0.0087 -0.0041 5252 ARG 660 C 0.0007 -0.0096 -0.0025 5253 ARG 660 O 0.0006 -0.0093 -0.0018 5254 ARG 660 CB 0.0011 -0.0106 -0.0049 5255 ARG 660 HB2 0.0010 -0.0111 -0.0049 5256 ARG 660 HB3 0.0008 -0.0113 -0.0045 5257 ARG 660 CG 0.0015 -0.0104 -0.0064 5258 ARG 660 HG2 0.0017 -0.0098 -0.0069 5259 ARG 660 HG3 0.0016 -0.0098 -0.0065 5260 ARG 660 CD 0.0014 -0.0118 -0.0072 5261 ARG 660 HD2 0.0015 -0.0118 -0.0076 5262 ARG 660 HD3 0.0010 -0.0126 -0.0065 5263 ARG 660 NE 0.0016 -0.0120 -0.0083 5264 ARG 660 HE 0.0014 -0.0127 -0.0081 5265 ARG 660 CZ 0.0020 -0.0119 -0.0096 5266 ARG 660 NH1 0.0022 -0.0113 -0.0101 5267 ARG 660 HH11 0.0021 -0.0109 -0.0095 5268 ARG 660 HH12 0.0025 -0.0112 -0.0111 5269 ARG 660 NH2 0.0021 -0.0123 -0.0105 5270 ARG 660 HH21 0.0019 -0.0127 -0.0101 5271 ARG 660 HH22 0.0023 -0.0123 -0.0115 5272 GLU 661 N 0.0000 -0.0097 -0.0015 5273 GLU 661 HN 0.0003 -0.0097 -0.0019 5274 GLU 661 CA -0.0005 -0.0099 -0.0007 5275 GLU 661 HA -0.0007 -0.0104 -0.0007 5276 GLU 661 C -0.0007 -0.0091 -0.0001 5277 GLU 661 O -0.0011 -0.0092 0.0004 5278 GLU 661 CB -0.0007 -0.0103 -0.0006 5279 GLU 661 HB2 -0.0005 -0.0099 -0.0008 5280 GLU 661 HB3 -0.0012 -0.0103 0.0000 5281 GLU 661 CG -0.0008 -0.0114 -0.0010 5282 GLU 661 HG2 -0.0009 -0.0116 -0.0009 5283 GLU 661 HG3 -0.0003 -0.0114 -0.0016 5284 GLU 661 CD -0.0011 -0.0120 -0.0006 5285 GLU 661 OE1 -0.0015 -0.0117 -0.0001 5286 GLU 661 OE2 -0.0011 -0.0128 -0.0009 5287 ASP 662 N -0.0005 -0.0082 -0.0002 5288 ASP 662 HN -0.0001 -0.0081 -0.0006 5289 ASP 662 CA -0.0006 -0.0074 0.0003 5290 ASP 662 HA -0.0010 -0.0074 0.0009 5291 ASP 662 C -0.0007 -0.0073 0.0004 5292 ASP 662 O -0.0011 -0.0072 0.0011 5293 ASP 662 CB -0.0002 -0.0065 0.0000 5294 ASP 662 HB2 -0.0002 -0.0059 0.0003 5295 ASP 662 HB3 0.0002 -0.0065 -0.0006 5296 ASP 662 CG -0.0003 -0.0064 0.0002 5297 ASP 662 OD1 -0.0007 -0.0064 0.0009 5298 ASP 662 OD2 0.0001 -0.0063 -0.0004 5299 ASP 663 N 0.0001 -0.0072 -0.0007 5300 ASP 663 HN 0.0005 -0.0072 -0.0013 5301 ASP 663 CA 0.0001 -0.0073 -0.0008 5302 ASP 663 HA -0.0000 -0.0067 -0.0003 5303 ASP 663 C -0.0004 -0.0083 -0.0004 5304 ASP 663 O -0.0007 -0.0082 -0.0000 5305 ASP 663 CB 0.0008 -0.0072 -0.0017 5306 ASP 663 HB2 0.0007 -0.0075 -0.0017 5307 ASP 663 HB3 0.0010 -0.0077 -0.0022 5308 ASP 663 CG 0.0013 -0.0061 -0.0018 5309 ASP 663 OD1 0.0011 -0.0054 -0.0013 5310 ASP 663 OD2 0.0018 -0.0061 -0.0026 5311 ARG 664 N -0.0006 -0.0091 -0.0006 5312 ARG 664 HN -0.0003 -0.0092 -0.0010 5313 ARG 664 CA -0.0012 -0.0100 -0.0002 5314 ARG 664 HA -0.0012 -0.0102 -0.0003 5315 ARG 664 C -0.0018 -0.0099 0.0007 5316 ARG 664 O -0.0023 -0.0105 0.0012 5317 ARG 664 CB -0.0011 -0.0109 -0.0008 5318 ARG 664 HB2 -0.0006 -0.0109 -0.0015 5319 ARG 664 HB3 -0.0011 -0.0107 -0.0007 5320 ARG 664 CG -0.0016 -0.0120 -0.0006 5321 ARG 664 HG2 -0.0016 -0.0122 -0.0005 5322 ARG 664 HG3 -0.0020 -0.0120 0.0001 5323 ARG 664 CD -0.0013 -0.0128 -0.0013 5324 ARG 664 HD2 -0.0011 -0.0126 -0.0015 5325 ARG 664 HD3 -0.0009 -0.0129 -0.0019 5326 ARG 664 NE -0.0019 -0.0138 -0.0009 5327 ARG 664 HE -0.0020 -0.0142 -0.0010 5328 ARG 664 CZ -0.0023 -0.0141 -0.0006 5329 ARG 664 NH1 -0.0022 -0.0136 -0.0004 5330 ARG 664 HH11 -0.0020 -0.0129 -0.0003 5331 ARG 664 HH12 -0.0018 -0.0136 -0.0009 5332 ARG 664 NH2 -0.0027 -0.0151 -0.0004 5333 ARG 664 HH21 -0.0028 -0.0155 -0.0005 5334 ARG 664 HH22 -0.0030 -0.0152 -0.0001 5335 VAL 665 N -0.0018 -0.0092 0.0010 5336 VAL 665 HN -0.0015 -0.0090 0.0007 5337 VAL 665 CA -0.0023 -0.0088 0.0019 5338 VAL 665 HA -0.0028 -0.0094 0.0022 5339 VAL 665 C -0.0024 -0.0083 0.0021 5340 VAL 665 O -0.0028 -0.0085 0.0026 5341 VAL 665 CB -0.0024 -0.0082 0.0021 5342 VAL 665 HB -0.0019 -0.0076 0.0018 5343 VAL 665 CG1 -0.0029 -0.0078 0.0030 5344 VAL 665 HG11 -0.0034 -0.0084 0.0033 5345 VAL 665 HG12 -0.0029 -0.0074 0.0032 5346 VAL 665 HG13 -0.0029 -0.0074 0.0031 5347 VAL 665 CG2 -0.0024 -0.0088 0.0019 5348 VAL 665 HG21 -0.0028 -0.0094 0.0022 5349 VAL 665 HG22 -0.0024 -0.0084 0.0020 5350 VAL 665 HG23 -0.0020 -0.0091 0.0013 5351 LEU 666 N -0.0019 -0.0075 0.0018 5352 LEU 666 HN -0.0015 -0.0073 0.0014 5353 LEU 666 CA -0.0018 -0.0070 0.0019 5354 LEU 666 HA -0.0022 -0.0066 0.0025 5355 LEU 666 C -0.0020 -0.0076 0.0019 5356 LEU 666 O -0.0024 -0.0075 0.0025 5357 LEU 666 CB -0.0012 -0.0062 0.0014 5358 LEU 666 HB2 -0.0011 -0.0057 0.0015 5359 LEU 666 HB3 -0.0008 -0.0066 0.0008 5360 LEU 666 CG -0.0011 -0.0056 0.0015 5361 LEU 666 HG -0.0011 -0.0061 0.0014 5362 LEU 666 CD1 -0.0015 -0.0050 0.0023 5363 LEU 666 HD11 -0.0015 -0.0045 0.0025 5364 LEU 666 HD12 -0.0020 -0.0055 0.0028 5365 LEU 666 HD13 -0.0014 -0.0046 0.0024 5366 LEU 666 CD2 -0.0004 -0.0050 0.0009 5367 LEU 666 HD21 -0.0003 -0.0044 0.0009 5368 LEU 666 HD22 -0.0003 -0.0046 0.0009 5369 LEU 666 HD23 -0.0000 -0.0054 0.0003 5370 LYS 667 N -0.0017 -0.0083 0.0012 5371 LYS 667 HN -0.0013 -0.0083 0.0008 5372 LYS 667 CA -0.0018 -0.0089 0.0012 5373 LYS 667 HA -0.0018 -0.0085 0.0013 5374 LYS 667 C -0.0024 -0.0097 0.0017 5375 LYS 667 O -0.0026 -0.0101 0.0018 5376 LYS 667 CB -0.0012 -0.0094 0.0004 5377 LYS 667 HB2 -0.0012 -0.0098 0.0002 5378 LYS 667 HB3 -0.0014 -0.0099 0.0004 5379 LYS 667 CG -0.0006 -0.0088 -0.0001 5380 LYS 667 HG2 -0.0007 -0.0085 0.0001 5381 LYS 667 HG3 -0.0005 -0.0083 -0.0001 5382 LYS 667 CD -0.0000 -0.0093 -0.0009 5383 LYS 667 HD2 0.0001 -0.0095 -0.0011 5384 LYS 667 HD3 0.0004 -0.0087 -0.0012 5385 LYS 667 CE -0.0001 -0.0100 -0.0010 5386 LYS 667 HE2 0.0004 -0.0102 -0.0016 5387 LYS 667 HE3 -0.0003 -0.0098 -0.0007 5388 LYS 667 NZ -0.0005 -0.0109 -0.0008 5389 LYS 667 HZ1 -0.0003 -0.0111 -0.0011 5390 LYS 667 HZ2 -0.0005 -0.0114 -0.0010 5391 LYS 667 HZ3 -0.0009 -0.0108 -0.0003 5392 LYS 668 N -0.0027 -0.0098 0.0020 5393 LYS 668 HN -0.0025 -0.0095 0.0018 5394 LYS 668 CA -0.0033 -0.0103 0.0026 5395 LYS 668 HA -0.0034 -0.0109 0.0024 5396 LYS 668 C -0.0038 -0.0098 0.0033 5397 LYS 668 O -0.0042 -0.0101 0.0036 5398 LYS 668 CB -0.0034 -0.0106 0.0026 5399 LYS 668 HB2 -0.0030 -0.0109 0.0020 5400 LYS 668 HB3 -0.0034 -0.0100 0.0027 5401 LYS 668 CG -0.0040 -0.0114 0.0030 5402 LYS 668 HG2 -0.0044 -0.0111 0.0036 5403 LYS 668 HG3 -0.0040 -0.0120 0.0028 5404 LYS 668 CD -0.0041 -0.0116 0.0031 5405 LYS 668 HD2 -0.0045 -0.0121 0.0034 5406 LYS 668 HD3 -0.0043 -0.0110 0.0034 5407 LYS 668 CE -0.0036 -0.0119 0.0024 5408 LYS 668 HE2 -0.0034 -0.0123 0.0020 5409 LYS 668 HE3 -0.0038 -0.0122 0.0026 5410 LYS 668 NZ -0.0031 -0.0111 0.0021 5411 LYS 668 HZ1 -0.0028 -0.0109 0.0018 5412 LYS 668 HZ2 -0.0029 -0.0112 0.0018 5413 LYS 668 HZ3 -0.0033 -0.0105 0.0025 5414 MET 669 N -0.0036 -0.0088 0.0036 5415 MET 669 HN -0.0033 -0.0086 0.0033 5416 MET 669 CA -0.0040 -0.0083 0.0041 5417 MET 669 HA -0.0044 -0.0086 0.0045 5418 MET 669 C -0.0039 -0.0079 0.0041 5419 MET 669 O -0.0038 -0.0071 0.0042 5420 MET 669 CB -0.0039 -0.0076 0.0042 5421 MET 669 HB2 -0.0042 -0.0071 0.0046 5422 MET 669 HB3 -0.0035 -0.0073 0.0038 5423 MET 669 CG -0.0041 -0.0079 0.0043 5424 MET 669 HG2 -0.0039 -0.0074 0.0042 5425 MET 669 HG3 -0.0038 -0.0084 0.0039 5426 MET 669 SD -0.0048 -0.0082 0.0050 5427 MET 669 CE -0.0050 -0.0072 0.0055 5428 MET 669 HE1 -0.0054 -0.0073 0.0059 5429 MET 669 HE2 -0.0050 -0.0070 0.0055 5430 MET 669 HE3 -0.0048 -0.0068 0.0053 5431 SER 670 N -0.0039 -0.0083 0.0040 5432 SER 670 HN -0.0040 -0.0089 0.0040 5433 SER 670 CA -0.0038 -0.0081 0.0040 5434 SER 670 HA -0.0042 -0.0077 0.0044 5435 SER 670 C -0.0039 -0.0088 0.0040 5436 SER 670 O -0.0043 -0.0094 0.0043 5437 SER 670 CB -0.0033 -0.0076 0.0035 5438 SER 670 HB2 -0.0030 -0.0079 0.0030 5439 SER 670 HB3 -0.0032 -0.0070 0.0035 5440 SER 670 OG -0.0032 -0.0074 0.0035 5441 SER 670 HG -0.0034 -0.0079 0.0035 5442 SER 670 OXT -0.0037 -0.0088 0.0037