1 ASP 28 N 0.0405 0.0060 0.0097 2 ASP 28 CA 0.0118 -0.0019 0.0073 3 ASP 28 C -0.0075 -0.0013 0.0050 4 ASP 28 O -0.0066 0.0193 0.0027 5 ASP 28 CB 0.0012 0.0185 0.0037 6 ASP 28 CG -0.0283 0.0116 0.0011 7 ASP 28 OD1 -0.0326 -0.0110 0.0032 8 ASP 28 OD2 -0.0472 0.0291 -0.0030 9 ASP 28 H 0.0542 0.0062 0.0112 10 ASP 28 HA 0.0124 -0.0231 0.0097 11 ASP 28 HB2 0.0151 0.0177 0.0054 12 ASP 28 HB3 0.0014 0.0397 0.0013 13 PRO 29 N -0.0045 0.0124 0.0085 14 PRO 29 CA -0.0218 0.0069 0.0109 15 PRO 29 C -0.0325 0.0188 0.0215 16 PRO 29 O -0.0309 0.0261 0.0253 17 PRO 29 CB -0.0263 -0.0060 0.0046 18 PRO 29 CG -0.0104 -0.0100 -0.0030 19 PRO 29 CD 0.0020 0.0039 0.0012 20 PRO 29 HA -0.0236 0.0030 0.0091 21 PRO 29 HB2 -0.0333 -0.0022 0.0092 22 PRO 29 HB3 -0.0339 -0.0151 0.0017 23 PRO 29 HG2 -0.0115 -0.0140 -0.0050 24 PRO 29 HG3 -0.0070 -0.0185 -0.0092 25 PRO 29 HD2 0.0028 0.0098 0.0045 26 PRO 29 HD3 0.0138 0.0010 -0.0043 27 ASN 30 N -0.0330 0.0303 -0.0481 28 ASN 30 CA -0.0167 0.0071 -0.0204 29 ASN 30 C -0.0046 -0.0143 0.0047 30 ASN 30 O 0.0305 -0.0132 0.0112 31 ASN 30 CB 0.0176 0.0190 -0.0252 32 ASN 30 CG 0.0378 -0.0035 0.0027 33 ASN 30 OD1 0.0251 -0.0134 0.0102 34 ASN 30 ND2 0.0695 -0.0111 0.0175 35 ASN 30 H -0.0586 0.0346 -0.0581 36 ASN 30 HA -0.0407 -0.0042 -0.0139 37 ASN 30 HB2 0.0054 0.0317 -0.0412 38 ASN 30 HB3 0.0382 0.0325 -0.0348 39 ASN 30 HD21 0.0789 -0.0020 0.0101 40 ASN 30 HD22 0.0826 -0.0256 0.0356 41 ALA 31 N -0.0038 -0.0601 0.0327 42 ALA 31 CA -0.0026 -0.0502 0.0290 43 ALA 31 C 0.0069 -0.0442 0.0260 44 ALA 31 O 0.0165 -0.0458 0.0259 45 ALA 31 CB -0.0010 -0.0518 0.0294 46 ALA 31 H 0.0023 -0.0625 0.0331 47 ALA 31 HA -0.0102 -0.0457 0.0278 48 ALA 31 HB1 -0.0006 -0.0443 0.0266 49 ALA 31 HB2 0.0066 -0.0562 0.0305 50 ALA 31 HB3 -0.0079 -0.0561 0.0315 51 GLU 32 N 0.0040 -0.0253 -0.0074 52 GLU 32 CA 0.0160 -0.0189 -0.0157 53 GLU 32 C 0.0156 -0.0016 -0.0233 54 GLU 32 O 0.0265 0.0056 -0.0314 55 GLU 32 CB 0.0129 -0.0200 -0.0138 56 GLU 32 CG -0.0030 -0.0109 -0.0107 57 GLU 32 CD -0.0049 -0.0121 -0.0093 58 GLU 32 OE1 0.0000 -0.0020 -0.0161 59 GLU 32 OE2 -0.0111 -0.0231 -0.0015 60 GLU 32 H -0.0060 -0.0256 -0.0027 61 GLU 32 HA 0.0271 -0.0262 -0.0174 62 GLU 32 HB2 0.0222 -0.0154 -0.0201 63 GLU 32 HB3 0.0134 -0.0325 -0.0084 64 GLU 32 HG2 -0.0125 -0.0157 -0.0042 65 GLU 32 HG3 -0.0037 0.0015 -0.0159 66 PHE 33 N 0.0214 0.0470 -0.0047 67 PHE 33 CA 0.0192 0.0496 -0.0074 68 PHE 33 C 0.0224 0.0329 0.0010 69 PHE 33 O 0.0242 0.0187 0.0074 70 PHE 33 CB 0.0023 0.0517 -0.0214 71 PHE 33 CG -0.0098 0.0360 -0.0254 72 PHE 33 CD1 -0.0147 0.0194 -0.0234 73 PHE 33 CD2 -0.0160 0.0378 -0.0309 74 PHE 33 CE1 -0.0255 0.0051 -0.0269 75 PHE 33 CE2 -0.0268 0.0235 -0.0344 76 PHE 33 CZ -0.0316 0.0072 -0.0324 77 PHE 33 H 0.0137 0.0383 -0.0077 78 PHE 33 HA 0.0269 0.0621 -0.0057 79 PHE 33 HB2 0.0002 0.0518 -0.0231 80 PHE 33 HB3 0.0006 0.0646 -0.0273 81 PHE 33 HD1 -0.0100 0.0178 -0.0192 82 PHE 33 HD2 -0.0123 0.0506 -0.0325 83 PHE 33 HE1 -0.0292 -0.0076 -0.0254 84 PHE 33 HE2 -0.0316 0.0252 -0.0387 85 PHE 33 HZ -0.0400 -0.0040 -0.0351 86 ASP 34 N -0.0008 0.0447 -0.0049 87 ASP 34 CA -0.0048 0.0398 -0.0012 88 ASP 34 C 0.0039 0.0311 -0.0078 89 ASP 34 O 0.0094 0.0230 -0.0118 90 ASP 34 CB -0.0142 0.0313 0.0075 91 ASP 34 CG -0.0193 0.0273 0.0122 92 ASP 34 OD1 -0.0151 0.0183 0.0094 93 ASP 34 OD2 -0.0276 0.0335 0.0187 94 ASP 34 H -0.0002 0.0383 -0.0050 95 ASP 34 HA -0.0070 0.0484 -0.0000 96 ASP 34 HB2 -0.0198 0.0370 0.0118 97 ASP 34 HB3 -0.0116 0.0222 0.0061 98 PRO 35 N -0.0068 0.0084 -0.0031 99 PRO 35 CA -0.0067 -0.0048 -0.0149 100 PRO 35 C -0.0003 -0.0175 -0.0064 101 PRO 35 O 0.0005 -0.0295 -0.0152 102 PRO 35 CB -0.0065 -0.0142 -0.0231 103 PRO 35 CG -0.0022 -0.0138 -0.0089 104 PRO 35 CD -0.0039 0.0033 0.0015 105 PRO 35 HA -0.0114 0.0009 -0.0246 106 PRO 35 HB2 -0.0040 -0.0273 -0.0275 107 PRO 35 HB3 -0.0118 -0.0075 -0.0337 108 PRO 35 HG2 0.0034 -0.0243 -0.0011 109 PRO 35 HG3 -0.0036 -0.0147 -0.0142 110 PRO 35 HD2 0.0008 0.0018 0.0151 111 PRO 35 HD3 -0.0079 0.0127 -0.0023 112 ASP 36 N 0.0180 0.0205 -0.0144 113 ASP 36 CA 0.0367 0.0178 -0.0011 114 ASP 36 C 0.0317 0.0031 0.0285 115 ASP 36 O 0.0520 -0.0012 0.0458 116 ASP 36 CB 0.0306 0.0227 -0.0142 117 ASP 36 CG 0.0486 0.0197 -0.0006 118 ASP 36 OD1 0.0750 0.0262 -0.0041 119 ASP 36 OD2 0.0360 0.0106 0.0140 120 ASP 36 H -0.0031 0.0186 -0.0187 121 ASP 36 HA 0.0593 0.0229 -0.0033 122 ASP 36 HB2 0.0358 0.0334 -0.0351 123 ASP 36 HB3 0.0075 0.0182 -0.0136 124 LEU 37 N -0.0084 -0.0252 0.0333 125 LEU 37 CA -0.0077 -0.0343 0.0303 126 LEU 37 C 0.0051 -0.0361 0.0199 127 LEU 37 O 0.0132 -0.0254 0.0166 128 LEU 37 CB -0.0139 -0.0288 0.0365 129 LEU 37 CG -0.0278 -0.0309 0.0466 130 LEU 37 CD1 -0.0331 -0.0469 0.0464 131 LEU 37 CD2 -0.0328 -0.0219 0.0528 132 LEU 37 H -0.0077 -0.0145 0.0356 133 LEU 37 HA -0.0126 -0.0448 0.0312 134 LEU 37 HB2 -0.0105 -0.0173 0.0370 135 LEU 37 HB3 -0.0109 -0.0341 0.0327 136 LEU 37 HG -0.0305 -0.0273 0.0496 137 LEU 37 HD11 -0.0428 -0.0480 0.0535 138 LEU 37 HD12 -0.0305 -0.0511 0.0432 139 LEU 37 HD13 -0.0301 -0.0529 0.0424 140 LEU 37 HD21 -0.0425 -0.0238 0.0597 141 LEU 37 HD22 -0.0295 -0.0105 0.0534 142 LEU 37 HD23 -0.0300 -0.0252 0.0498 143 PRO 38 N -0.0008 -0.0216 0.0269 144 PRO 38 CA -0.0003 -0.0202 0.0206 145 PRO 38 C 0.0016 -0.0137 0.0198 146 PRO 38 O 0.0023 -0.0110 0.0232 147 PRO 38 CB -0.0012 -0.0235 0.0191 148 PRO 38 CG -0.0026 -0.0282 0.0237 149 PRO 38 CD -0.0021 -0.0257 0.0293 150 PRO 38 HA -0.0006 -0.0216 0.0177 151 PRO 38 HB2 -0.0004 -0.0206 0.0194 152 PRO 38 HB3 -0.0016 -0.0253 0.0146 153 PRO 38 HG2 -0.0030 -0.0293 0.0246 154 PRO 38 HG3 -0.0037 -0.0319 0.0222 155 PRO 38 HD2 -0.0015 -0.0235 0.0321 156 PRO 38 HD3 -0.0031 -0.0291 0.0318 157 GLY 39 N 0.0101 -0.0071 0.0152 158 GLY 39 CA 0.0098 -0.0039 0.0147 159 GLY 39 C 0.0098 -0.0023 0.0163 160 GLY 39 O 0.0096 0.0004 0.0170 161 GLY 39 H 0.0101 -0.0083 0.0136 162 GLY 39 HA2 0.0096 -0.0034 0.0124 163 GLY 39 HA3 0.0098 -0.0031 0.0156 164 GLY 40 N 0.0074 0.0021 0.0094 165 GLY 40 CA 0.0048 0.0062 0.0099 166 GLY 40 C 0.0008 0.0056 0.0130 167 GLY 40 O -0.0018 0.0088 0.0138 168 GLY 40 H 0.0090 0.0005 0.0088 169 GLY 40 HA2 0.0054 0.0072 0.0091 170 GLY 40 HA3 0.0052 0.0087 0.0087 171 GLY 41 N 0.0016 -0.0122 0.0193 172 GLY 41 CA -0.0026 -0.0146 0.0169 173 GLY 41 C 0.0008 -0.0175 0.0157 174 GLY 41 O -0.0020 -0.0193 0.0140 175 GLY 41 H 0.0026 -0.0136 0.0186 176 GLY 41 HA2 -0.0049 -0.0173 0.0148 177 GLY 41 HA3 -0.0059 -0.0116 0.0183 178 LEU 42 N 0.0062 -0.0081 0.0044 179 LEU 42 CA 0.0043 -0.0151 0.0054 180 LEU 42 C 0.0045 -0.0193 0.0090 181 LEU 42 O 0.0027 -0.0254 0.0094 182 LEU 42 CB 0.0057 -0.0160 0.0092 183 LEU 42 CG 0.0056 -0.0122 0.0062 184 LEU 42 CD1 0.0072 -0.0135 0.0106 185 LEU 42 CD2 0.0019 -0.0140 -0.0004 186 LEU 42 H 0.0086 -0.0055 0.0079 187 LEU 42 HA 0.0016 -0.0168 0.0008 188 LEU 42 HB2 0.0084 -0.0145 0.0138 189 LEU 42 HB3 0.0043 -0.0213 0.0099 190 LEU 42 HG 0.0072 -0.0069 0.0057 191 LEU 42 HD11 0.0071 -0.0108 0.0084 192 LEU 42 HD12 0.0058 -0.0188 0.0114 193 LEU 42 HD13 0.0099 -0.0118 0.0151 194 LEU 42 HD21 0.0003 -0.0194 -0.0000 195 LEU 42 HD22 0.0020 -0.0113 -0.0023 196 LEU 42 HD23 0.0009 -0.0127 -0.0035 197 HIS 43 N 0.0001 0.0066 0.0127 198 HIS 43 CA 0.0006 0.0057 0.0091 199 HIS 43 C -0.0022 0.0042 0.0081 200 HIS 43 O -0.0049 0.0031 0.0078 201 HIS 43 CB 0.0009 0.0051 0.0071 202 HIS 43 CG 0.0034 0.0064 0.0081 203 HIS 43 ND1 0.0067 0.0073 0.0069 204 HIS 43 CD2 0.0031 0.0070 0.0102 205 HIS 43 CE1 0.0083 0.0083 0.0082 206 HIS 43 NE2 0.0062 0.0082 0.0102 207 HIS 43 H -0.0020 0.0061 0.0137 208 HIS 43 HA 0.0029 0.0063 0.0085 209 HIS 43 HB2 -0.0015 0.0042 0.0072 210 HIS 43 HB3 0.0016 0.0045 0.0044 211 HIS 43 HD1 0.0077 0.0072 0.0054 212 HIS 43 HD2 0.0008 0.0066 0.0116 213 HIS 43 HE1 0.0109 0.0092 0.0076 214 HIS 43 HE2 0.0068 0.0089 0.0118 215 ARG 44 N -0.0233 -0.0125 -0.0046 216 ARG 44 CA -0.0174 -0.0014 -0.0128 217 ARG 44 C -0.0158 0.0023 -0.0149 218 ARG 44 O -0.0164 -0.0065 -0.0142 219 ARG 44 CB -0.0092 -0.0064 -0.0242 220 ARG 44 CG -0.0093 -0.0143 -0.0241 221 ARG 44 CD -0.0008 -0.0199 -0.0359 222 ARG 44 NE -0.0004 -0.0284 -0.0365 223 ARG 44 CZ 0.0066 -0.0330 -0.0462 224 ARG 44 NH1 0.0137 -0.0302 -0.0561 225 ARG 44 NH2 0.0065 -0.0405 -0.0461 226 ARG 44 H -0.0226 -0.0212 -0.0056 227 ARG 44 HA -0.0192 0.0076 -0.0103 228 ARG 44 HB2 -0.0066 -0.0128 -0.0279 229 ARG 44 HB3 -0.0054 0.0027 -0.0295 230 ARG 44 HG2 -0.0112 -0.0072 -0.0214 231 ARG 44 HG3 -0.0135 -0.0228 -0.0182 232 ARG 44 HD2 0.0012 -0.0261 -0.0388 233 ARG 44 HD3 0.0032 -0.0109 -0.0415 234 ARG 44 HE -0.0057 -0.0307 -0.0291 235 ARG 44 HH11 0.0141 -0.0246 -0.0566 236 ARG 44 HH12 0.0190 -0.0337 -0.0635 237 ARG 44 HH21 0.0013 -0.0429 -0.0388 238 ARG 44 HH22 0.0116 -0.0441 -0.0533 239 CYS 45 N -0.0148 0.0077 -0.0107 240 CYS 45 CA -0.0159 0.0095 -0.0046 241 CYS 45 C -0.0140 0.0088 -0.0018 242 CYS 45 O -0.0095 0.0058 -0.0015 243 CYS 45 CB -0.0133 0.0084 -0.0014 244 CYS 45 SG -0.0138 0.0101 0.0067 245 CYS 45 H -0.0115 0.0053 -0.0121 246 CYS 45 HA -0.0199 0.0121 -0.0046 247 CYS 45 HB2 -0.0152 0.0093 -0.0032 248 CYS 45 HB3 -0.0095 0.0057 -0.0023 249 LEU 46 N -0.0296 0.0153 0.0139 250 LEU 46 CA -0.0171 0.0124 0.0151 251 LEU 46 C 0.0000 0.0175 0.0321 252 LEU 46 O 0.0181 0.0118 0.0310 253 LEU 46 CB -0.0314 0.0168 0.0156 254 LEU 46 CG -0.0482 0.0115 -0.0016 255 LEU 46 CD1 -0.0627 0.0171 0.0011 256 LEU 46 CD2 -0.0381 -0.0019 -0.0196 257 LEU 46 H -0.0446 0.0205 0.0157 258 LEU 46 HA -0.0094 0.0029 0.0024 259 LEU 46 HB2 -0.0392 0.0262 0.0281 260 LEU 46 HB3 -0.0218 0.0148 0.0168 261 LEU 46 HG -0.0572 0.0133 -0.0028 262 LEU 46 HD11 -0.0708 0.0264 0.0132 263 LEU 46 HD12 -0.0740 0.0130 -0.0114 264 LEU 46 HD13 -0.0533 0.0160 0.0037 265 LEU 46 HD21 -0.0292 -0.0059 -0.0222 266 LEU 46 HD22 -0.0279 -0.0039 -0.0182 267 LEU 46 HD23 -0.0505 -0.0053 -0.0314 268 ALA 47 N -0.0205 0.0211 0.0379 269 ALA 47 CA -0.0219 0.0143 0.0409 270 ALA 47 C -0.0222 0.0050 0.0391 271 ALA 47 O -0.0239 -0.0015 0.0428 272 ALA 47 CB -0.0206 0.0153 0.0368 273 ALA 47 H -0.0188 0.0250 0.0333 274 ALA 47 HA -0.0239 0.0153 0.0477 275 ALA 47 HB1 -0.0218 0.0105 0.0393 276 ALA 47 HB2 -0.0187 0.0143 0.0299 277 ALA 47 HB3 -0.0205 0.0220 0.0381 278 CYS 48 N 0.0002 0.0154 0.0158 279 CYS 48 CA 0.0075 0.0073 0.0130 280 CYS 48 C 0.0115 0.0000 0.0063 281 CYS 48 O 0.0186 -0.0071 0.0050 282 CYS 48 CB 0.0048 0.0070 0.0080 283 CYS 48 SG 0.0025 0.0138 0.0169 284 CYS 48 H -0.0055 0.0176 0.0103 285 CYS 48 HA 0.0127 0.0065 0.0206 286 CYS 48 HB2 -0.0012 0.0089 0.0012 287 CYS 48 HB3 0.0105 0.0009 0.0062 288 ALA 49 N 0.0192 0.0129 0.0009 289 ALA 49 CA 0.0270 -0.0035 -0.0177 290 ALA 49 C 0.0208 -0.0055 -0.0159 291 ALA 49 O 0.0314 -0.0135 -0.0287 292 ALA 49 CB 0.0539 0.0006 -0.0288 293 ALA 49 H 0.0081 0.0090 0.0037 294 ALA 49 HA 0.0172 -0.0177 -0.0246 295 ALA 49 HB1 0.0638 0.0148 -0.0219 296 ALA 49 HB2 0.0577 0.0018 -0.0299 297 ALA 49 HB3 0.0591 -0.0119 -0.0426 298 ARG 50 N 0.0035 0.0024 -0.0051 299 ARG 50 CA 0.0017 -0.0003 -0.0087 300 ARG 50 C 0.0030 0.0026 -0.0106 301 ARG 50 O 0.0051 0.0070 -0.0116 302 ARG 50 CB 0.0003 -0.0020 -0.0135 303 ARG 50 CG -0.0012 -0.0054 -0.0120 304 ARG 50 CD -0.0025 -0.0069 -0.0169 305 ARG 50 NE -0.0039 -0.0101 -0.0156 306 ARG 50 CZ -0.0051 -0.0117 -0.0192 307 ARG 50 NH1 -0.0052 -0.0105 -0.0243 308 ARG 50 NH2 -0.0063 -0.0144 -0.0175 309 ARG 50 H 0.0047 0.0051 -0.0066 310 ARG 50 HA 0.0005 -0.0035 -0.0064 311 ARG 50 HB2 0.0016 0.0011 -0.0157 312 ARG 50 HB3 -0.0009 -0.0039 -0.0161 313 ARG 50 HG2 -0.0025 -0.0086 -0.0098 314 ARG 50 HG3 0.0000 -0.0036 -0.0094 315 ARG 50 HD2 -0.0012 -0.0037 -0.0191 316 ARG 50 HD3 -0.0038 -0.0088 -0.0194 317 ARG 50 HE -0.0040 -0.0111 -0.0117 318 ARG 50 HH11 -0.0043 -0.0084 -0.0257 319 ARG 50 HH12 -0.0061 -0.0116 -0.0272 320 ARG 50 HH21 -0.0064 -0.0154 -0.0137 321 ARG 50 HH22 -0.0072 -0.0155 -0.0202 322 TYR 51 N -0.0010 -0.0019 -0.0059 323 TYR 51 CA -0.0050 -0.0099 -0.0011 324 TYR 51 C -0.0111 -0.0062 0.0078 325 TYR 51 O -0.0121 0.0016 0.0100 326 TYR 51 CB -0.0034 -0.0132 -0.0036 327 TYR 51 CG 0.0029 -0.0161 -0.0127 328 TYR 51 CD1 0.0075 -0.0090 -0.0183 329 TYR 51 CD2 0.0043 -0.0259 -0.0155 330 TYR 51 CE1 0.0132 -0.0116 -0.0265 331 TYR 51 CE2 0.0100 -0.0286 -0.0238 332 TYR 51 CZ 0.0144 -0.0214 -0.0292 333 TYR 51 OH 0.0202 -0.0239 -0.0374 334 TYR 51 H -0.0002 0.0032 -0.0064 335 TYR 51 HA -0.0047 -0.0161 -0.0021 336 TYR 51 HB2 -0.0039 -0.0070 -0.0023 337 TYR 51 HB3 -0.0064 -0.0195 -0.0001 338 TYR 51 HD1 0.0065 -0.0013 -0.0162 339 TYR 51 HD2 0.0008 -0.0316 -0.0113 340 TYR 51 HE1 0.0167 -0.0060 -0.0308 341 TYR 51 HE2 0.0110 -0.0363 -0.0259 342 TYR 51 HH 0.0218 -0.0205 -0.0394 343 PHE 52 N -0.0083 0.0072 0.0087 344 PHE 52 CA -0.0087 0.0074 0.0096 345 PHE 52 C -0.0070 0.0070 0.0154 346 PHE 52 O -0.0035 0.0056 0.0176 347 PHE 52 CB -0.0056 0.0058 0.0054 348 PHE 52 CG -0.0071 0.0062 -0.0006 349 PHE 52 CD1 -0.0054 0.0052 -0.0033 350 PHE 52 CD2 -0.0103 0.0074 -0.0034 351 PHE 52 CE1 -0.0068 0.0055 -0.0087 352 PHE 52 CE2 -0.0117 0.0077 -0.0088 353 PHE 52 CZ -0.0099 0.0068 -0.0115 354 PHE 52 H -0.0049 0.0057 0.0086 355 PHE 52 HA -0.0127 0.0091 0.0090 356 PHE 52 HB2 -0.0016 0.0041 0.0060 357 PHE 52 HB3 -0.0060 0.0060 0.0062 358 PHE 52 HD1 -0.0029 0.0043 -0.0011 359 PHE 52 HD2 -0.0117 0.0081 -0.0013 360 PHE 52 HE1 -0.0054 0.0048 -0.0108 361 PHE 52 HE2 -0.0142 0.0086 -0.0110 362 PHE 52 HZ -0.0110 0.0070 -0.0158 363 ILE 53 N 0.0008 -0.0038 0.0228 364 ILE 53 CA 0.0045 0.0037 0.0102 365 ILE 53 C 0.0035 0.0183 0.0040 366 ILE 53 O 0.0035 0.0290 -0.0020 367 ILE 53 CB 0.0125 -0.0072 -0.0016 368 ILE 53 CG1 0.0159 -0.0133 -0.0058 369 ILE 53 CG2 0.0137 -0.0202 0.0032 370 ILE 53 CD1 0.0239 -0.0237 -0.0177 371 ILE 53 H 0.0037 -0.0142 0.0221 372 ILE 53 HA 0.0023 0.0066 0.0135 373 ILE 53 HB 0.0149 -0.0006 -0.0108 374 ILE 53 HG12 0.0134 -0.0196 0.0035 375 ILE 53 HG13 0.0150 -0.0037 -0.0093 376 ILE 53 HG21 0.0110 -0.0265 0.0129 377 ILE 53 HG22 0.0116 -0.0156 0.0052 378 ILE 53 HG23 0.0194 -0.0278 -0.0052 379 ILE 53 HD11 0.0266 -0.0175 -0.0273 380 ILE 53 HD12 0.0258 -0.0276 -0.0198 381 ILE 53 HD13 0.0249 -0.0334 -0.0145 382 ASP 54 N 0.0014 0.0250 0.0137 383 ASP 54 CA 0.0086 0.0310 0.0100 384 ASP 54 C 0.0060 0.0269 0.0107 385 ASP 54 O 0.0009 0.0171 0.0116 386 ASP 54 CB 0.0187 0.0285 0.0016 387 ASP 54 CG 0.0269 0.0350 -0.0026 388 ASP 54 OD1 0.0304 0.0454 -0.0021 389 ASP 54 OD2 0.0299 0.0298 -0.0065 390 ASP 54 H -0.0020 0.0170 0.0138 391 ASP 54 HA 0.0087 0.0403 0.0129 392 ASP 54 HB2 0.0202 0.0311 0.0012 393 ASP 54 HB3 0.0187 0.0192 -0.0013 394 SER 55 N 0.0064 0.0282 0.0024 395 SER 55 CA 0.0048 0.0257 0.0029 396 SER 55 C 0.0075 0.0193 0.0005 397 SER 55 O 0.0048 0.0150 0.0012 398 SER 55 CB 0.0065 0.0308 0.0028 399 SER 55 OG 0.0052 0.0286 0.0031 400 SER 55 H 0.0087 0.0324 0.0019 401 SER 55 HA 0.0001 0.0248 0.0051 402 SER 55 HB2 0.0041 0.0349 0.0047 403 SER 55 HB3 0.0111 0.0324 0.0007 404 SER 55 HG 0.0085 0.0265 0.0011 405 THR 56 N 0.0160 0.0269 0.0017 406 THR 56 CA 0.0248 0.0163 0.0103 407 THR 56 C 0.0172 0.0225 0.0028 408 THR 56 O 0.0154 0.0083 0.0008 409 THR 56 CB 0.0421 0.0235 0.0277 410 THR 56 OG1 0.0485 0.0201 0.0340 411 THR 56 CG2 0.0520 0.0101 0.0374 412 THR 56 H 0.0217 0.0381 0.0075 413 THR 56 HA 0.0242 -0.0016 0.0095 414 THR 56 HB 0.0422 0.0409 0.0280 415 THR 56 HG1 0.0451 0.0332 0.0308 416 THR 56 HG21 0.0642 0.0157 0.0496 417 THR 56 HG22 0.0516 -0.0075 0.0367 418 THR 56 HG23 0.0473 0.0126 0.0327 419 ASN 57 N 0.0065 0.0154 0.0122 420 ASN 57 CA 0.0007 0.0197 0.0074 421 ASN 57 C -0.0026 0.0164 -0.0012 422 ASN 57 O -0.0056 0.0160 -0.0066 423 ASN 57 CB -0.0030 0.0285 0.0105 424 ASN 57 CG -0.0017 0.0330 0.0174 425 ASN 57 OD1 -0.0044 0.0362 0.0162 426 ASN 57 ND2 0.0025 0.0335 0.0247 427 ASN 57 H 0.0069 0.0182 0.0159 428 ASN 57 HA 0.0014 0.0191 0.0079 429 ASN 57 HB2 -0.0019 0.0288 0.0126 430 ASN 57 HB3 -0.0077 0.0311 0.0057 431 ASN 57 HD21 0.0047 0.0311 0.0256 432 ASN 57 HD22 0.0034 0.0365 0.0291 433 LEU 58 N -0.0039 0.0125 -0.0034 434 LEU 58 CA -0.0069 0.0109 -0.0055 435 LEU 58 C -0.0059 0.0064 -0.0067 436 LEU 58 O -0.0081 0.0043 -0.0086 437 LEU 58 CB -0.0079 0.0129 -0.0052 438 LEU 58 CG -0.0106 0.0113 -0.0072 439 LEU 58 CD1 -0.0087 0.0078 -0.0075 440 LEU 58 CD2 -0.0140 0.0104 -0.0092 441 LEU 58 H -0.0025 0.0142 -0.0020 442 LEU 58 HA -0.0093 0.0116 -0.0064 443 LEU 58 HB2 -0.0090 0.0160 -0.0046 444 LEU 58 HB3 -0.0052 0.0129 -0.0039 445 LEU 58 HG -0.0116 0.0134 -0.0069 446 LEU 58 HD11 -0.0107 0.0068 -0.0089 447 LEU 58 HD12 -0.0075 0.0055 -0.0078 448 LEU 58 HD13 -0.0064 0.0087 -0.0061 449 LEU 58 HD21 -0.0131 0.0081 -0.0096 450 LEU 58 HD22 -0.0159 0.0093 -0.0105 451 LEU 58 HD23 -0.0154 0.0130 -0.0089 452 LYS 59 N -0.0045 0.0070 -0.0079 453 LYS 59 CA -0.0026 -0.0033 -0.0086 454 LYS 59 C -0.0011 -0.0047 -0.0074 455 LYS 59 O -0.0027 -0.0116 -0.0109 456 LYS 59 CB 0.0033 -0.0086 -0.0038 457 LYS 59 CG 0.0100 -0.0052 0.0042 458 LYS 59 CD 0.0154 -0.0103 0.0085 459 LYS 59 CE 0.0174 -0.0211 0.0078 460 LYS 59 NZ 0.0208 -0.0231 0.0108 461 LYS 59 H -0.0019 0.0102 -0.0043 462 LYS 59 HA -0.0072 -0.0063 -0.0141 463 LYS 59 HB2 0.0042 -0.0161 -0.0048 464 LYS 59 HB3 0.0018 -0.0076 -0.0051 465 LYS 59 HG2 0.0092 0.0024 0.0052 466 LYS 59 HG3 0.0119 -0.0065 0.0057 467 LYS 59 HD2 0.0133 -0.0094 0.0065 468 LYS 59 HD3 0.0199 -0.0070 0.0140 469 LYS 59 HE2 0.0129 -0.0243 0.0022 470 LYS 59 HE3 0.0209 -0.0243 0.0106 471 LYS 59 HZ1 0.0254 -0.0205 0.0163 472 LYS 59 HZ2 0.0220 -0.0305 0.0102 473 LYS 59 HZ3 0.0178 -0.0202 0.0084 474 THR 60 N 0.0011 -0.0011 -0.0136 475 THR 60 CA -0.0008 -0.0073 -0.0191 476 THR 60 C -0.0077 -0.0118 -0.0175 477 THR 60 O -0.0092 -0.0167 -0.0219 478 THR 60 CB -0.0009 -0.0085 -0.0205 479 THR 60 OG1 0.0056 -0.0045 -0.0221 480 THR 60 CG2 -0.0029 -0.0150 -0.0261 481 THR 60 H 0.0017 0.0014 -0.0111 482 THR 60 HA 0.0027 -0.0079 -0.0234 483 THR 60 HB -0.0044 -0.0077 -0.0160 484 THR 60 HG1 0.0064 -0.0005 -0.0182 485 THR 60 HG21 -0.0029 -0.0156 -0.0269 486 THR 60 HG22 0.0006 -0.0158 -0.0306 487 THR 60 HG23 -0.0078 -0.0181 -0.0249 488 HIS 61 N -0.0074 0.0006 -0.0162 489 HIS 61 CA -0.0075 -0.0007 -0.0140 490 HIS 61 C -0.0091 -0.0004 -0.0114 491 HIS 61 O -0.0089 -0.0019 -0.0094 492 HIS 61 CB -0.0077 -0.0001 -0.0144 493 HIS 61 CG -0.0085 -0.0007 -0.0120 494 HIS 61 ND1 -0.0074 -0.0028 -0.0106 495 HIS 61 CD2 -0.0104 0.0006 -0.0107 496 HIS 61 CE1 -0.0086 -0.0028 -0.0085 497 HIS 61 NE2 -0.0104 -0.0008 -0.0086 498 HIS 61 H -0.0077 0.0018 -0.0175 499 HIS 61 HA -0.0060 -0.0023 -0.0138 500 HIS 61 HB2 -0.0062 -0.0010 -0.0157 501 HIS 61 HB3 -0.0087 0.0016 -0.0154 502 HIS 61 HD1 -0.0059 -0.0042 -0.0109 503 HIS 61 HD2 -0.0117 0.0023 -0.0113 504 HIS 61 HE1 -0.0084 -0.0040 -0.0068 505 PHE 62 N -0.0082 -0.0019 -0.0062 506 PHE 62 CA -0.0101 -0.0027 -0.0046 507 PHE 62 C -0.0091 -0.0046 -0.0038 508 PHE 62 O -0.0104 -0.0055 -0.0025 509 PHE 62 CB -0.0120 -0.0010 -0.0047 510 PHE 62 CG -0.0130 0.0011 -0.0057 511 PHE 62 CD1 -0.0139 0.0010 -0.0051 512 PHE 62 CD2 -0.0130 0.0030 -0.0070 513 PHE 62 CE1 -0.0147 0.0029 -0.0060 514 PHE 62 CE2 -0.0138 0.0050 -0.0079 515 PHE 62 CZ -0.0147 0.0049 -0.0074 516 PHE 62 H -0.0078 -0.0006 -0.0073 517 PHE 62 HA -0.0108 -0.0034 -0.0037 518 PHE 62 HB2 -0.0115 -0.0006 -0.0053 519 PHE 62 HB3 -0.0135 -0.0018 -0.0034 520 PHE 62 HD1 -0.0139 -0.0006 -0.0040 521 PHE 62 HD2 -0.0123 0.0031 -0.0074 522 PHE 62 HE1 -0.0154 0.0028 -0.0056 523 PHE 62 HE2 -0.0138 0.0065 -0.0090 524 PHE 62 HZ -0.0153 0.0065 -0.0082 525 ARG 63 N -0.0002 -0.0069 -0.0106 526 ARG 63 CA -0.0031 -0.0016 0.0027 527 ARG 63 C 0.0086 0.0034 0.0128 528 ARG 63 O 0.0084 0.0081 0.0243 529 ARG 63 CB -0.0053 -0.0021 0.0016 530 ARG 63 CG -0.0189 -0.0062 -0.0060 531 ARG 63 CD -0.0206 -0.0067 -0.0069 532 ARG 63 NE -0.0212 -0.0012 0.0064 533 ARG 63 CZ -0.0250 -0.0005 0.0087 534 ARG 63 NH1 -0.0294 -0.0050 -0.0014 535 ARG 63 NH2 -0.0246 0.0046 0.0212 536 ARG 63 H 0.0034 -0.0098 -0.0182 537 ARG 63 HA -0.0132 -0.0007 0.0064 538 ARG 63 HB2 0.0041 -0.0037 -0.0036 539 ARG 63 HB3 -0.0062 0.0020 0.0117 540 ARG 63 HG2 -0.0284 -0.0046 -0.0006 541 ARG 63 HG3 -0.0182 -0.0103 -0.0161 542 ARG 63 HD2 -0.0306 -0.0095 -0.0121 543 ARG 63 HD3 -0.0114 -0.0085 -0.0127 544 ARG 63 HE -0.0184 0.0021 0.0141 545 ARG 63 HH11 -0.0300 -0.0090 -0.0109 546 ARG 63 HH12 -0.0322 -0.0046 0.0001 547 ARG 63 HH21 -0.0215 0.0081 0.0290 548 ARG 63 HH22 -0.0273 0.0054 0.0235 549 SER 64 N -0.0012 -0.0036 0.0145 550 SER 64 CA 0.0006 -0.0043 0.0174 551 SER 64 C -0.0038 -0.0051 0.0197 552 SER 64 O -0.0066 -0.0047 0.0175 553 SER 64 CB 0.0030 -0.0034 0.0145 554 SER 64 OG 0.0063 -0.0023 0.0114 555 SER 64 H -0.0018 -0.0028 0.0113 556 SER 64 HA 0.0030 -0.0048 0.0200 557 SER 64 HB2 0.0003 -0.0030 0.0126 558 SER 64 HB3 0.0048 -0.0038 0.0168 559 SER 64 HG 0.0091 -0.0026 0.0132 560 LYS 65 N 0.0019 0.0048 0.0553 561 LYS 65 CA 0.0061 -0.0138 0.0393 562 LYS 65 C -0.0114 -0.0123 0.0215 563 LYS 65 O -0.0092 -0.0225 0.0125 564 LYS 65 CB 0.0167 -0.0307 0.0322 565 LYS 65 CG 0.0074 -0.0272 0.0258 566 LYS 65 CD -0.0124 -0.0244 0.0069 567 LYS 65 CE -0.0208 -0.0209 0.0015 568 LYS 65 NZ -0.0405 -0.0170 -0.0162 569 LYS 65 H 0.0038 0.0061 0.0588 570 LYS 65 HA 0.0161 -0.0171 0.0467 571 LYS 65 HB2 0.0175 -0.0432 0.0192 572 LYS 65 HB3 0.0314 -0.0344 0.0444 573 LYS 65 HG2 0.0170 -0.0395 0.0227 574 LYS 65 HG3 0.0060 -0.0144 0.0385 575 LYS 65 HD2 -0.0222 -0.0121 0.0096 576 LYS 65 HD3 -0.0107 -0.0373 -0.0056 577 LYS 65 HE2 -0.0114 -0.0337 -0.0023 578 LYS 65 HE3 -0.0212 -0.0087 0.0146 579 LYS 65 HZ1 -0.0408 -0.0284 -0.0292 580 LYS 65 HZ2 -0.0502 -0.0045 -0.0131 581 LYS 65 HZ3 -0.0457 -0.0151 -0.0198 582 ASP 66 N -0.0013 -0.0112 0.0172 583 ASP 66 CA -0.0043 -0.0107 0.0140 584 ASP 66 C -0.0050 -0.0094 0.0148 585 ASP 66 O -0.0063 -0.0101 0.0122 586 ASP 66 CB -0.0074 -0.0083 0.0131 587 ASP 66 CG -0.0104 -0.0082 0.0094 588 ASP 66 OD1 -0.0107 -0.0102 0.0064 589 ASP 66 OD2 -0.0126 -0.0060 0.0094 590 ASP 66 H -0.0016 -0.0096 0.0188 591 ASP 66 HA -0.0037 -0.0132 0.0115 592 ASP 66 HB2 -0.0067 -0.0090 0.0131 593 ASP 66 HB3 -0.0082 -0.0058 0.0154 594 HIS 67 N -0.0069 -0.0030 0.0053 595 HIS 67 CA -0.0072 -0.0021 0.0060 596 HIS 67 C -0.0070 -0.0015 0.0062 597 HIS 67 O -0.0076 -0.0012 0.0067 598 HIS 67 CB -0.0067 -0.0014 0.0061 599 HIS 67 CG -0.0069 -0.0005 0.0068 600 HIS 67 ND1 -0.0079 -0.0004 0.0074 601 HIS 67 CD2 -0.0065 0.0002 0.0070 602 HIS 67 CE1 -0.0080 0.0003 0.0079 603 HIS 67 NE2 -0.0072 0.0007 0.0077 604 HIS 67 H -0.0064 -0.0031 0.0050 605 HIS 67 HA -0.0080 -0.0022 0.0064 606 HIS 67 HB2 -0.0068 -0.0018 0.0060 607 HIS 67 HB3 -0.0059 -0.0012 0.0058 608 HIS 67 HD1 -0.0084 -0.0009 0.0074 609 HIS 67 HD2 -0.0057 0.0004 0.0067 610 HIS 67 HE1 -0.0087 0.0005 0.0084 611 LYS 68 N -0.0024 0.0004 0.0034 612 LYS 68 CA -0.0031 0.0004 0.0034 613 LYS 68 C -0.0015 0.0028 0.0045 614 LYS 68 O -0.0007 0.0026 0.0045 615 LYS 68 CB -0.0065 0.0007 0.0032 616 LYS 68 CG -0.0081 -0.0016 0.0020 617 LYS 68 CD -0.0115 -0.0012 0.0019 618 LYS 68 CE -0.0126 0.0016 0.0030 619 LYS 68 NZ -0.0159 0.0019 0.0029 620 LYS 68 H -0.0040 0.0010 0.0035 621 LYS 68 HA -0.0023 -0.0015 0.0026 622 LYS 68 HB2 -0.0072 0.0027 0.0040 623 LYS 68 HB3 -0.0071 0.0005 0.0030 624 LYS 68 HG2 -0.0073 -0.0037 0.0012 625 LYS 68 HG3 -0.0075 -0.0014 0.0022 626 LYS 68 HD2 -0.0121 -0.0013 0.0018 627 LYS 68 HD3 -0.0126 -0.0029 0.0011 628 LYS 68 HE2 -0.0119 0.0017 0.0031 629 LYS 68 HE3 -0.0116 0.0032 0.0038 630 LYS 68 HZ1 -0.0167 0.0018 0.0028 631 LYS 68 HZ2 -0.0166 0.0038 0.0036 632 LYS 68 HZ3 -0.0169 0.0003 0.0021 633 LYS 69 N 0.0043 -0.0075 0.0040 634 LYS 69 CA 0.0039 -0.0078 0.0060 635 LYS 69 C 0.0039 -0.0079 0.0061 636 LYS 69 O 0.0027 -0.0075 0.0071 637 LYS 69 CB 0.0054 -0.0087 0.0070 638 LYS 69 CG 0.0056 -0.0093 0.0090 639 LYS 69 CD 0.0073 -0.0102 0.0096 640 LYS 69 CE 0.0078 -0.0109 0.0115 641 LYS 69 NZ 0.0095 -0.0118 0.0120 642 LYS 69 H 0.0053 -0.0079 0.0037 643 LYS 69 HA 0.0026 -0.0074 0.0065 644 LYS 69 HB2 0.0051 -0.0087 0.0072 645 LYS 69 HB3 0.0066 -0.0091 0.0062 646 LYS 69 HG2 0.0057 -0.0093 0.0088 647 LYS 69 HG3 0.0044 -0.0090 0.0100 648 LYS 69 HD2 0.0070 -0.0101 0.0098 649 LYS 69 HD3 0.0084 -0.0105 0.0085 650 LYS 69 HE2 0.0080 -0.0110 0.0115 651 LYS 69 HE3 0.0068 -0.0107 0.0127 652 LYS 69 HZ1 0.0100 -0.0123 0.0132 653 LYS 69 HZ2 0.0105 -0.0120 0.0108 654 LYS 69 HZ3 0.0094 -0.0117 0.0120 655 ARG 70 N 0.0024 0.0005 0.0060 656 ARG 70 CA 0.0047 0.0007 0.0022 657 ARG 70 C 0.0076 -0.0055 0.0023 658 ARG 70 O 0.0108 -0.0068 -0.0018 659 ARG 70 CB 0.0020 0.0043 0.0037 660 ARG 70 CG 0.0042 0.0052 -0.0005 661 ARG 70 CD 0.0062 0.0082 -0.0062 662 ARG 70 NE 0.0085 0.0089 -0.0104 663 ARG 70 CZ 0.0117 0.0090 -0.0157 664 ARG 70 NH1 0.0131 0.0085 -0.0176 665 ARG 70 NH2 0.0135 0.0097 -0.0192 666 ARG 70 H -0.0004 0.0020 0.0094 667 ARG 70 HA 0.0062 0.0027 -0.0019 668 ARG 70 HB2 -0.0003 0.0084 0.0042 669 ARG 70 HB3 0.0008 0.0019 0.0076 670 ARG 70 HG2 0.0021 0.0078 0.0008 671 ARG 70 HG3 0.0063 0.0010 -0.0007 672 ARG 70 HD2 0.0082 0.0056 -0.0074 673 ARG 70 HD3 0.0041 0.0125 -0.0061 674 ARG 70 HE 0.0074 0.0094 -0.0091 675 ARG 70 HH11 0.0119 0.0080 -0.0152 676 ARG 70 HH12 0.0156 0.0086 -0.0216 677 ARG 70 HH21 0.0125 0.0102 -0.0179 678 ARG 70 HH22 0.0160 0.0098 -0.0232 679 LEU 71 N 0.0028 0.0034 -0.0033 680 LEU 71 CA 0.0045 0.0032 -0.0017 681 LEU 71 C 0.0068 0.0050 -0.0021 682 LEU 71 O 0.0087 0.0050 -0.0005 683 LEU 71 CB 0.0035 0.0027 -0.0019 684 LEU 71 CG 0.0012 0.0009 -0.0015 685 LEU 71 CD1 0.0005 0.0005 -0.0016 686 LEU 71 CD2 0.0012 -0.0008 0.0006 687 LEU 71 H 0.0015 0.0034 -0.0044 688 LEU 71 HA 0.0047 0.0021 -0.0001 689 LEU 71 HB2 0.0033 0.0039 -0.0035 690 LEU 71 HB3 0.0048 0.0026 -0.0007 691 LEU 71 HG -0.0002 0.0011 -0.0029 692 LEU 71 HD11 0.0018 0.0003 -0.0004 693 LEU 71 HD12 0.0004 0.0017 -0.0032 694 LEU 71 HD13 -0.0012 -0.0008 -0.0014 695 LEU 71 HD21 0.0015 -0.0006 0.0005 696 LEU 71 HD22 0.0026 -0.0010 0.0019 697 LEU 71 HD23 -0.0005 -0.0021 0.0007 698 LYS 72 N 0.0189 0.0041 -0.0006 699 LYS 72 CA 0.0194 0.0023 -0.0016 700 LYS 72 C 0.0163 0.0015 -0.0023 701 LYS 72 O 0.0158 0.0014 -0.0024 702 LYS 72 CB 0.0215 -0.0001 -0.0030 703 LYS 72 CG 0.0223 -0.0020 -0.0042 704 LYS 72 CD 0.0245 -0.0043 -0.0055 705 LYS 72 CE 0.0253 -0.0062 -0.0067 706 LYS 72 NZ 0.0275 -0.0083 -0.0079 707 LYS 72 H 0.0198 0.0035 -0.0009 708 LYS 72 HA 0.0207 0.0035 -0.0008 709 LYS 72 HB2 0.0237 0.0005 -0.0025 710 LYS 72 HB3 0.0203 -0.0012 -0.0038 711 LYS 72 HG2 0.0201 -0.0028 -0.0048 712 LYS 72 HG3 0.0234 -0.0009 -0.0035 713 LYS 72 HD2 0.0266 -0.0035 -0.0049 714 LYS 72 HD3 0.0233 -0.0054 -0.0063 715 LYS 72 HE2 0.0231 -0.0071 -0.0073 716 LYS 72 HE3 0.0263 -0.0051 -0.0059 717 LYS 72 HZ1 0.0266 -0.0095 -0.0087 718 LYS 72 HZ2 0.0296 -0.0076 -0.0073 719 LYS 72 HZ3 0.0280 -0.0096 -0.0087 720 GLN 73 N 0.0168 -0.0012 -0.0014 721 GLN 73 CA 0.0122 -0.0028 -0.0012 722 GLN 73 C 0.0094 0.0006 0.0021 723 GLN 73 O 0.0071 0.0007 0.0028 724 GLN 73 CB 0.0092 -0.0058 -0.0025 725 GLN 73 CG 0.0115 -0.0095 -0.0059 726 GLN 73 CD 0.0086 -0.0124 -0.0071 727 GLN 73 OE1 0.0061 -0.0111 -0.0055 728 GLN 73 NE2 0.0089 -0.0162 -0.0100 729 GLN 73 H 0.0175 -0.0018 -0.0021 730 GLN 73 HA 0.0128 -0.0043 -0.0025 731 GLN 73 HB2 0.0087 -0.0043 -0.0013 732 GLN 73 HB3 0.0058 -0.0069 -0.0023 733 GLN 73 HG2 0.0119 -0.0111 -0.0072 734 GLN 73 HG3 0.0150 -0.0085 -0.0062 735 GLN 73 HE21 0.0109 -0.0170 -0.0112 736 GLN 73 HE22 0.0071 -0.0182 -0.0109 737 LEU 74 N 0.0163 0.0114 0.0059 738 LEU 74 CA 0.0178 0.0092 0.0051 739 LEU 74 C 0.0163 0.0092 0.0043 740 LEU 74 O 0.0176 0.0078 0.0040 741 LEU 74 CB 0.0182 0.0067 0.0035 742 LEU 74 CG 0.0200 0.0042 0.0027 743 LEU 74 CD1 0.0230 0.0045 0.0044 744 LEU 74 CD2 0.0201 0.0019 0.0011 745 LEU 74 H 0.0151 0.0111 0.0050 746 LEU 74 HA 0.0199 0.0095 0.0064 747 LEU 74 HB2 0.0190 0.0069 0.0041 748 LEU 74 HB3 0.0160 0.0065 0.0023 749 LEU 74 HG 0.0191 0.0039 0.0020 750 LEU 74 HD11 0.0243 0.0027 0.0037 751 LEU 74 HD12 0.0240 0.0048 0.0051 752 LEU 74 HD13 0.0229 0.0061 0.0054 753 LEU 74 HD21 0.0210 0.0022 0.0017 754 LEU 74 HD22 0.0214 0.0002 0.0005 755 LEU 74 HD23 0.0180 0.0017 -0.0002 756 SER 75 N 0.0046 0.0096 0.0046 757 SER 75 CA -0.0063 0.0203 -0.0001 758 SER 75 C -0.0002 0.0343 -0.0142 759 SER 75 O -0.0098 0.0457 -0.0199 760 SER 75 CB -0.0257 0.0226 0.0056 761 SER 75 OG -0.0366 0.0322 0.0019 762 SER 75 H 0.0131 0.0020 0.0075 763 SER 75 HA -0.0042 0.0163 0.0025 764 SER 75 HB2 -0.0292 0.0125 0.0154 765 SER 75 HB3 -0.0277 0.0266 0.0031 766 SER 75 HG -0.0460 0.0281 0.0090 767 VAL 76 N 0.0042 0.0177 -0.0008 768 VAL 76 CA 0.0028 0.0151 -0.0009 769 VAL 76 C 0.0026 0.0178 -0.0032 770 VAL 76 O 0.0038 0.0181 -0.0016 771 VAL 76 CB -0.0004 0.0114 -0.0028 772 VAL 76 CG1 -0.0019 0.0087 -0.0030 773 VAL 76 CG2 -0.0003 0.0086 -0.0006 774 VAL 76 H 0.0031 0.0172 -0.0021 775 VAL 76 HA 0.0042 0.0138 0.0021 776 VAL 76 HB -0.0017 0.0128 -0.0058 777 VAL 76 HG11 -0.0042 0.0062 -0.0044 778 VAL 76 HG12 -0.0006 0.0074 -0.0001 779 VAL 76 HG13 -0.0021 0.0107 -0.0048 780 VAL 76 HG21 -0.0026 0.0060 -0.0020 781 VAL 76 HG22 0.0007 0.0105 -0.0006 782 VAL 76 HG23 0.0011 0.0072 0.0024 783 GLU 77 N 0.0033 0.0135 -0.0070 784 GLU 77 CA 0.0047 0.0144 -0.0078 785 GLU 77 C 0.0056 0.0180 -0.0129 786 GLU 77 O 0.0018 0.0192 -0.0160 787 GLU 77 CB 0.0005 0.0123 -0.0063 788 GLU 77 CG -0.0053 0.0122 -0.0084 789 GLU 77 CD -0.0092 0.0103 -0.0070 790 GLU 77 OE1 -0.0104 0.0073 -0.0030 791 GLU 77 OE2 -0.0111 0.0117 -0.0099 792 GLU 77 H 0.0010 0.0146 -0.0096 793 GLU 77 HA 0.0085 0.0139 -0.0057 794 GLU 77 HB2 0.0015 0.0134 -0.0076 795 GLU 77 HB3 0.0008 0.0099 -0.0026 796 GLU 77 HG2 -0.0065 0.0111 -0.0071 797 GLU 77 HG3 -0.0056 0.0146 -0.0121 798 PRO 78 N 0.0169 0.0148 -0.0217 799 PRO 78 CA 0.0192 0.0134 -0.0257 800 PRO 78 C 0.0239 0.0151 -0.0290 801 PRO 78 O 0.0266 0.0192 -0.0274 802 PRO 78 CB 0.0196 0.0160 -0.0233 803 PRO 78 CG 0.0162 0.0173 -0.0182 804 PRO 78 CD 0.0160 0.0180 -0.0172 805 PRO 78 HA 0.0173 0.0098 -0.0276 806 PRO 78 HB2 0.0230 0.0189 -0.0239 807 PRO 78 HB3 0.0187 0.0137 -0.0249 808 PRO 78 HG2 0.0173 0.0204 -0.0160 809 PRO 78 HG3 0.0129 0.0146 -0.0176 810 PRO 78 HD2 0.0186 0.0215 -0.0162 811 PRO 78 HD3 0.0126 0.0172 -0.0144 812 TYR 79 N 0.0234 0.0051 -0.0348 813 TYR 79 CA 0.0198 0.0038 -0.0297 814 TYR 79 C 0.0299 0.0072 -0.0415 815 TYR 79 O 0.0240 0.0067 -0.0563 816 TYR 79 CB 0.0001 -0.0013 -0.0293 817 TYR 79 CG -0.0097 -0.0048 -0.0154 818 TYR 79 CD1 -0.0170 -0.0064 -0.0198 819 TYR 79 CD2 -0.0115 -0.0065 0.0020 820 TYR 79 CE1 -0.0256 -0.0095 -0.0072 821 TYR 79 CE2 -0.0202 -0.0096 0.0148 822 TYR 79 CZ -0.0272 -0.0111 0.0101 823 TYR 79 OH -0.0359 -0.0142 0.0229 824 TYR 79 H 0.0303 0.0063 -0.0263 825 TYR 79 HA 0.0253 0.0043 -0.0162 826 TYR 79 HB2 -0.0058 -0.0020 -0.0424 827 TYR 79 HB3 -0.0014 -0.0019 -0.0260 828 TYR 79 HD1 -0.0157 -0.0051 -0.0334 829 TYR 79 HD2 -0.0059 -0.0053 0.0056 830 TYR 79 HE1 -0.0312 -0.0107 -0.0110 831 TYR 79 HE2 -0.0214 -0.0109 0.0283 832 TYR 79 HH -0.0283 -0.0130 0.0335 833 SER 80 N 0.0039 0.0055 -0.0141 834 SER 80 CA 0.0007 0.0053 -0.0109 835 SER 80 C -0.0015 0.0054 -0.0092 836 SER 80 O -0.0000 0.0052 -0.0102 837 SER 80 CB -0.0021 0.0077 -0.0123 838 SER 80 OG -0.0053 0.0076 -0.0092 839 SER 80 H 0.0033 0.0074 -0.0165 840 SER 80 HA 0.0018 0.0032 -0.0087 841 SER 80 HB2 -0.0004 0.0076 -0.0136 842 SER 80 HB3 -0.0033 0.0098 -0.0144 843 SER 80 HG -0.0041 0.0061 -0.0080 844 GLN 81 N -0.0098 0.0013 0.0005 845 GLN 81 CA -0.0099 0.0013 0.0014 846 GLN 81 C -0.0100 0.0016 0.0010 847 GLN 81 O -0.0103 0.0021 0.0002 848 GLN 81 CB -0.0104 0.0019 0.0022 849 GLN 81 CG -0.0104 0.0019 0.0032 850 GLN 81 CD -0.0109 0.0025 0.0039 851 GLN 81 OE1 -0.0114 0.0032 0.0036 852 GLN 81 NE2 -0.0109 0.0023 0.0049 853 GLN 81 H -0.0101 0.0017 0.0003 854 GLN 81 HA -0.0095 0.0006 0.0017 855 GLN 81 HB2 -0.0103 0.0018 0.0023 856 GLN 81 HB3 -0.0108 0.0026 0.0018 857 GLN 81 HG2 -0.0105 0.0020 0.0030 858 GLN 81 HG3 -0.0100 0.0012 0.0035 859 GLN 81 HE21 -0.0105 0.0017 0.0051 860 GLN 81 HE22 -0.0112 0.0027 0.0054 861 GLU 82 N -0.0094 -0.0000 0.0039 862 GLU 82 CA -0.0100 0.0009 0.0023 863 GLU 82 C -0.0072 -0.0019 -0.0019 864 GLU 82 O -0.0071 -0.0018 -0.0037 865 GLU 82 CB -0.0135 0.0054 0.0008 866 GLU 82 CG -0.0143 0.0066 -0.0007 867 GLU 82 CD -0.0178 0.0111 -0.0018 868 GLU 82 OE1 -0.0186 0.0126 -0.0060 869 GLU 82 OE2 -0.0199 0.0131 0.0014 870 GLU 82 H -0.0084 -0.0018 0.0071 871 GLU 82 HA -0.0096 -0.0001 0.0056 872 GLU 82 HB2 -0.0152 0.0070 0.0040 873 GLU 82 HB3 -0.0138 0.0063 -0.0023 874 GLU 82 HG2 -0.0127 0.0052 -0.0041 875 GLU 82 HG3 -0.0140 0.0057 0.0024 876 GLU 83 N -0.0007 -0.0017 0.0021 877 GLU 83 CA -0.0020 -0.0042 0.0015 878 GLU 83 C -0.0063 -0.0120 -0.0005 879 GLU 83 O -0.0108 -0.0148 0.0035 880 GLU 83 CB 0.0031 -0.0017 -0.0038 881 GLU 83 CG 0.0021 -0.0041 -0.0050 882 GLU 83 CD 0.0074 -0.0008 -0.0096 883 GLU 83 OE1 0.0100 -0.0028 -0.0160 884 GLU 83 OE2 0.0090 0.0039 -0.0068 885 GLU 83 H 0.0005 -0.0036 -0.0017 886 GLU 83 HA -0.0038 -0.0022 0.0066 887 GLU 83 HB2 0.0059 0.0038 -0.0021 888 GLU 83 HB3 0.0051 -0.0034 -0.0088 889 GLU 83 HG2 -0.0002 -0.0096 -0.0074 890 GLU 83 HG3 -0.0001 -0.0028 0.0001 891 ALA 84 N -0.0138 -0.0085 0.0069 892 ALA 84 CA -0.0301 -0.0149 -0.0043 893 ALA 84 C -0.0242 -0.0102 -0.0092 894 ALA 84 O -0.0334 -0.0117 -0.0232 895 ALA 84 CB -0.0381 -0.0142 -0.0241 896 ALA 84 H -0.0046 -0.0009 -0.0017 897 ALA 84 HA -0.0406 -0.0239 0.0064 898 ALA 84 HB1 -0.0498 -0.0188 -0.0321 899 ALA 84 HB2 -0.0273 -0.0051 -0.0344 900 ALA 84 HB3 -0.0432 -0.0184 -0.0197 901 GLU 85 N 0.0059 -0.0036 0.0058 902 GLU 85 CA 0.0111 0.0010 0.0109 903 GLU 85 C 0.0115 -0.0035 0.0071 904 GLU 85 O 0.0041 -0.0028 0.0062 905 GLU 85 CB 0.0051 0.0095 0.0168 906 GLU 85 CG 0.0109 0.0154 0.0231 907 GLU 85 CD 0.0120 0.0145 0.0225 908 GLU 85 OE1 0.0050 0.0177 0.0238 909 GLU 85 OE2 0.0199 0.0105 0.0208 910 GLU 85 H 0.0032 -0.0081 0.0014 911 GLU 85 HA 0.0188 0.0012 0.0127 912 GLU 85 HB2 0.0030 0.0117 0.0182 913 GLU 85 HB3 -0.0018 0.0091 0.0149 914 GLU 85 HG2 0.0183 0.0137 0.0232 915 GLU 85 HG3 0.0076 0.0214 0.0275 916 ARG 86 N 0.0234 -0.0128 -0.0064 917 ARG 86 CA 0.0281 -0.0158 -0.0027 918 ARG 86 C 0.0295 -0.0155 -0.0071 919 ARG 86 O 0.0250 -0.0125 -0.0110 920 ARG 86 CB 0.0252 -0.0166 0.0061 921 ARG 86 CG 0.0169 -0.0132 0.0078 922 ARG 86 CD 0.0142 -0.0111 0.0042 923 ARG 86 NE 0.0062 -0.0077 0.0055 924 ARG 86 CZ 0.0020 -0.0049 0.0018 925 ARG 86 NH1 0.0050 -0.0052 -0.0032 926 ARG 86 NH2 -0.0052 -0.0020 0.0032 927 ARG 86 H 0.0186 -0.0103 -0.0076 928 ARG 86 HA 0.0333 -0.0182 -0.0027 929 ARG 86 HB2 0.0280 -0.0184 0.0083 930 ARG 86 HB3 0.0266 -0.0180 0.0094 931 ARG 86 HG2 0.0156 -0.0141 0.0141 932 ARG 86 HG3 0.0140 -0.0114 0.0057 933 ARG 86 HD2 0.0159 -0.0104 -0.0020 934 ARG 86 HD3 0.0166 -0.0128 0.0069 935 ARG 86 HE 0.0038 -0.0075 0.0093 936 ARG 86 HH11 0.0104 -0.0073 -0.0044 937 ARG 86 HH12 0.0020 -0.0031 -0.0059 938 ARG 86 HH21 -0.0076 -0.0017 0.0070 939 ARG 86 HH22 -0.0085 0.0002 0.0006 940 ALA 87 N 0.0205 -0.0077 -0.0140 941 ALA 87 CA 0.0381 -0.0079 -0.0171 942 ALA 87 C 0.0573 -0.0297 -0.0802 943 ALA 87 O 0.0449 -0.0388 -0.1036 944 ALA 87 CB -0.0174 -0.0041 0.0015 945 ALA 87 H -0.0205 -0.0154 -0.0293 946 ALA 87 HA 0.0764 0.0045 0.0119 947 ALA 87 HB1 -0.0560 -0.0164 -0.0269 948 ALA 87 HB2 -0.0306 0.0113 0.0462 949 ALA 87 HB3 -0.0050 -0.0047 -0.0020 950 ALA 88 N -0.0324 0.0080 -0.0612 951 ALA 88 CA -0.0488 0.0330 -0.0163 952 ALA 88 C -0.1073 0.0673 -0.0182 953 ALA 88 O -0.1256 0.0884 0.0118 954 ALA 88 CB -0.0182 0.0349 0.0430 955 ALA 88 H -0.0447 0.0139 -0.0655 956 ALA 88 HA -0.0409 0.0254 -0.0249 957 ALA 88 HB1 -0.0262 0.0428 0.0525 958 ALA 88 HB2 0.0236 0.0100 0.0431 959 ALA 88 HB3 -0.0309 0.0535 0.0756 960 GLY 89 N -0.0202 0.0137 -0.0008 961 GLY 89 CA 0.0181 -0.0083 0.0044 962 GLY 89 C 0.0760 -0.0071 0.0265 963 GLY 89 O 0.0921 -0.0304 0.0227 964 GLY 89 H -0.0090 0.0364 0.0128 965 GLY 89 HA2 0.0118 -0.0495 -0.0151 966 GLY 89 HA3 0.0115 0.0152 0.0117 967 MET 90 N -0.0027 -0.0056 -0.0016 968 MET 90 CA -0.0014 -0.0051 -0.0038 969 MET 90 C 0.0015 -0.0042 -0.0094 970 MET 90 O -0.0006 -0.0060 -0.0138 971 MET 90 CB -0.0059 -0.0077 -0.0041 972 MET 90 CG -0.0049 -0.0073 -0.0052 973 MET 90 SD -0.0016 -0.0063 -0.0118 974 MET 90 CE -0.0017 -0.0063 -0.0116 975 MET 90 H -0.0014 -0.0043 0.0019 976 MET 90 HA 0.0010 -0.0033 -0.0009 977 MET 90 HB2 -0.0080 -0.0085 -0.0002 978 MET 90 HB3 -0.0080 -0.0094 -0.0073 979 MET 90 HG2 -0.0027 -0.0056 -0.0019 980 MET 90 HG3 -0.0083 -0.0092 -0.0049 981 MET 90 HE1 0.0002 -0.0047 -0.0080 982 MET 90 HE2 0.0002 -0.0058 -0.0153 983 MET 90 HE3 -0.0053 -0.0084 -0.0112 984 GLY 91 N 0.0000 -0.0066 -0.0025 985 GLY 91 CA -0.0104 0.0119 -0.0031 986 GLY 91 C -0.0320 -0.0042 0.0038 987 GLY 91 O -0.0263 -0.0122 0.0038 988 GLY 91 H 0.0096 -0.0257 -0.0015 989 GLY 91 HA2 -0.0206 0.0317 -0.0041 990 GLY 91 HA3 0.0077 0.0177 -0.0078 991 SER 92 N 0.0027 -0.0078 0.0004 992 SER 92 CA -0.0021 -0.0122 0.0037 993 SER 92 C -0.0040 -0.0095 0.0133 994 SER 92 O -0.0005 -0.0034 0.0166 995 SER 92 CB -0.0002 -0.0122 -0.0009 996 SER 92 OG 0.0015 -0.0147 -0.0099 997 SER 92 H 0.0065 -0.0026 0.0010 998 SER 92 HA -0.0059 -0.0177 0.0022 999 SER 92 HB2 0.0035 -0.0067 0.0006 1000 SER 92 HB3 -0.0040 -0.0158 0.0013 1001 SER 92 HG 0.0019 -0.0147 -0.0109 1002 TYR 93 N 0.0041 -0.0032 0.0048 1003 TYR 93 CA 0.0020 -0.0018 0.0037 1004 TYR 93 C 0.0001 -0.0025 0.0027 1005 TYR 93 O 0.0008 -0.0035 0.0030 1006 TYR 93 CB 0.0025 0.0013 0.0039 1007 TYR 93 CG 0.0005 0.0031 0.0028 1008 TYR 93 CD1 0.0003 0.0037 0.0027 1009 TYR 93 CD2 -0.0012 0.0042 0.0019 1010 TYR 93 CE1 -0.0015 0.0053 0.0018 1011 TYR 93 CE2 -0.0030 0.0058 0.0009 1012 TYR 93 CZ -0.0031 0.0063 0.0008 1013 TYR 93 OH -0.0049 0.0079 -0.0002 1014 TYR 93 H 0.0049 -0.0027 0.0053 1015 TYR 93 HA 0.0014 -0.0024 0.0033 1016 TYR 93 HB2 0.0040 0.0017 0.0048 1017 TYR 93 HB3 0.0029 0.0019 0.0041 1018 TYR 93 HD1 0.0017 0.0029 0.0035 1019 TYR 93 HD2 -0.0011 0.0037 0.0019 1020 TYR 93 HE1 -0.0015 0.0057 0.0017 1021 TYR 93 HE2 -0.0043 0.0066 0.0002 1022 TYR 93 HH -0.0064 0.0072 -0.0010 1023 VAL 94 N 0.0121 0.0045 -0.0003 1024 VAL 94 CA 0.0091 0.0024 -0.0002 1025 VAL 94 C 0.0086 0.0021 -0.0002 1026 VAL 94 O 0.0079 0.0046 0.0005 1027 VAL 94 CB 0.0058 0.0036 0.0007 1028 VAL 94 CG1 0.0051 0.0072 0.0016 1029 VAL 94 CG2 0.0028 0.0013 0.0008 1030 VAL 94 H 0.0118 0.0065 0.0002 1031 VAL 94 HA 0.0096 -0.0000 -0.0008 1032 VAL 94 HB 0.0063 0.0035 0.0006 1033 VAL 94 HG11 0.0029 0.0079 0.0021 1034 VAL 94 HG12 0.0048 0.0075 0.0017 1035 VAL 94 HG13 0.0072 0.0088 0.0015 1036 VAL 94 HG21 0.0024 0.0013 0.0008 1037 VAL 94 HG22 0.0006 0.0022 0.0014 1038 VAL 94 HG23 0.0033 -0.0012 0.0002