1 ASP 28 N 0.0338 0.0230 0.0212 2 ASP 28 CA 0.0247 0.0156 0.0095 3 ASP 28 C 0.0043 0.0222 0.0013 4 ASP 28 O -0.0036 0.0379 0.0083 5 ASP 28 CB 0.0289 0.0202 0.0158 6 ASP 28 CG 0.0201 0.0128 0.0044 7 ASP 28 OD1 0.0252 -0.0032 -0.0046 8 ASP 28 OD2 0.0088 0.0228 0.0047 9 ASP 28 H 0.0479 0.0189 0.0271 10 ASP 28 HA 0.0298 0.0017 0.0022 11 ASP 28 HB2 0.0435 0.0153 0.0215 12 ASP 28 HB3 0.0241 0.0341 0.0234 13 PRO 29 N 0.0439 0.0483 -0.0290 14 PRO 29 CA 0.0233 0.0382 -0.0225 15 PRO 29 C -0.0151 0.0777 -0.0371 16 PRO 29 O -0.0505 0.0933 -0.0411 17 PRO 29 CB -0.0055 -0.0085 0.0017 18 PRO 29 CG 0.0144 -0.0297 0.0097 19 PRO 29 CD 0.0298 0.0113 -0.0107 20 PRO 29 HA 0.0547 0.0333 -0.0231 21 PRO 29 HB2 -0.0472 0.0002 0.0016 22 PRO 29 HB3 0.0030 -0.0317 0.0117 23 PRO 29 HG2 -0.0163 -0.0492 0.0215 24 PRO 29 HG3 0.0481 -0.0534 0.0175 25 PRO 29 HD2 -0.0028 0.0236 -0.0133 26 PRO 29 HD3 0.0633 0.0003 -0.0087 27 ASN 30 N -0.0248 0.0397 0.0122 28 ASN 30 CA -0.0166 0.0296 0.0170 29 ASN 30 C -0.0094 0.0089 0.0349 30 ASN 30 O 0.0100 -0.0026 0.0323 31 ASN 30 CB 0.0013 0.0333 -0.0019 32 ASN 30 CG 0.0116 0.0231 0.0014 33 ASN 30 OD1 0.0038 0.0300 -0.0002 34 ASN 30 ND2 0.0292 0.0070 0.0054 35 ASN 30 H -0.0389 0.0508 0.0110 36 ASN 30 HA -0.0301 0.0352 0.0217 37 ASN 30 HB2 -0.0058 0.0480 -0.0130 38 ASN 30 HB3 0.0131 0.0293 -0.0070 39 ASN 30 HD21 0.0350 0.0023 0.0061 40 ASN 30 HD22 0.0359 0.0002 0.0077 41 ALA 31 N -0.0078 -0.0305 0.0345 42 ALA 31 CA -0.0064 -0.0363 0.0405 43 ALA 31 C -0.0113 -0.0341 0.0475 44 ALA 31 O -0.0141 -0.0335 0.0525 45 ALA 31 CB -0.0035 -0.0419 0.0427 46 ALA 31 H -0.0116 -0.0262 0.0359 47 ALA 31 HA -0.0037 -0.0386 0.0382 48 ALA 31 HB1 -0.0023 -0.0462 0.0469 49 ALA 31 HB2 -0.0061 -0.0398 0.0450 50 ALA 31 HB3 0.0001 -0.0435 0.0377 51 GLU 32 N -0.0140 -0.0402 0.0418 52 GLU 32 CA 0.0025 -0.0175 0.0435 53 GLU 32 C -0.0016 -0.0156 0.0372 54 GLU 32 O 0.0118 -0.0013 0.0418 55 GLU 32 CB 0.0042 0.0050 0.0276 56 GLU 32 CG -0.0148 0.0084 0.0020 57 GLU 32 CD -0.0117 0.0316 -0.0129 58 GLU 32 OE1 -0.0043 0.0520 -0.0203 59 GLU 32 OE2 -0.0163 0.0301 -0.0172 60 GLU 32 H -0.0246 -0.0385 0.0277 61 GLU 32 HA 0.0162 -0.0189 0.0612 62 GLU 32 HB2 0.0168 0.0214 0.0296 63 GLU 32 HB3 0.0071 0.0028 0.0329 64 GLU 32 HG2 -0.0275 -0.0076 -0.0006 65 GLU 32 HG3 -0.0182 0.0099 -0.0033 66 PHE 33 N -0.0216 -0.0490 0.0039 67 PHE 33 CA -0.0218 -0.0456 0.0033 68 PHE 33 C -0.0202 -0.0472 0.0035 69 PHE 33 O -0.0196 -0.0511 0.0042 70 PHE 33 CB -0.0265 -0.0439 0.0032 71 PHE 33 CG -0.0297 -0.0474 0.0040 72 PHE 33 CD1 -0.0305 -0.0487 0.0043 73 PHE 33 CD2 -0.0320 -0.0493 0.0044 74 PHE 33 CE1 -0.0334 -0.0519 0.0050 75 PHE 33 CE2 -0.0350 -0.0524 0.0052 76 PHE 33 CZ -0.0357 -0.0537 0.0055 77 PHE 33 H -0.0238 -0.0513 0.0044 78 PHE 33 HA -0.0197 -0.0431 0.0027 79 PHE 33 HB2 -0.0266 -0.0417 0.0028 80 PHE 33 HB3 -0.0274 -0.0424 0.0029 81 PHE 33 HD1 -0.0287 -0.0473 0.0039 82 PHE 33 HD2 -0.0315 -0.0482 0.0042 83 PHE 33 HE1 -0.0340 -0.0529 0.0052 84 PHE 33 HE2 -0.0367 -0.0539 0.0055 85 PHE 33 HZ -0.0380 -0.0562 0.0060 86 ASP 34 N -0.0154 -0.0142 -0.0100 87 ASP 34 CA -0.0111 -0.0082 -0.0144 88 ASP 34 C -0.0076 -0.0027 -0.0089 89 ASP 34 O -0.0075 -0.0022 -0.0021 90 ASP 34 CB -0.0099 -0.0066 -0.0177 91 ASP 34 CG -0.0058 -0.0009 -0.0230 92 ASP 34 OD1 -0.0021 0.0047 -0.0202 93 ASP 34 OD2 -0.0062 -0.0019 -0.0303 94 ASP 34 H -0.0160 -0.0148 -0.0063 95 ASP 34 HA -0.0114 -0.0089 -0.0193 96 ASP 34 HB2 -0.0126 -0.0108 -0.0209 97 ASP 34 HB3 -0.0093 -0.0055 -0.0127 98 PRO 35 N 0.0048 0.0100 -0.0241 99 PRO 35 CA 0.0200 0.0164 -0.0176 100 PRO 35 C 0.0232 0.0177 -0.0162 101 PRO 35 O 0.0356 0.0234 -0.0112 102 PRO 35 CB 0.0239 0.0315 -0.0248 103 PRO 35 CG 0.0105 0.0356 -0.0369 104 PRO 35 CD -0.0018 0.0215 -0.0364 105 PRO 35 HA 0.0263 0.0103 -0.0092 106 PRO 35 HB2 0.0328 0.0389 -0.0233 107 PRO 35 HB3 0.0266 0.0308 -0.0224 108 PRO 35 HG2 0.0103 0.0403 -0.0402 109 PRO 35 HG3 0.0101 0.0433 -0.0422 110 PRO 35 HD2 -0.0102 0.0211 -0.0420 111 PRO 35 HD3 -0.0059 0.0204 -0.0385 112 ASP 36 N 0.0152 0.0024 -0.0355 113 ASP 36 CA 0.0245 -0.0089 -0.0248 114 ASP 36 C 0.0221 -0.0108 -0.0119 115 ASP 36 O 0.0311 -0.0202 -0.0063 116 ASP 36 CB 0.0238 -0.0107 -0.0171 117 ASP 36 CG 0.0329 -0.0221 -0.0054 118 ASP 36 OD1 0.0445 -0.0304 -0.0108 119 ASP 36 OD2 0.0284 -0.0228 0.0097 120 ASP 36 H 0.0063 0.0089 -0.0318 121 ASP 36 HA 0.0340 -0.0149 -0.0321 122 ASP 36 HB2 0.0261 -0.0098 -0.0268 123 ASP 36 HB3 0.0141 -0.0042 -0.0108 124 LEU 37 N 0.0066 -0.0056 -0.0057 125 LEU 37 CA 0.0048 -0.0043 0.0004 126 LEU 37 C 0.0033 -0.0029 -0.0024 127 LEU 37 O 0.0002 -0.0002 -0.0081 128 LEU 37 CB -0.0004 -0.0002 0.0051 129 LEU 37 CG 0.0009 -0.0015 0.0105 130 LEU 37 CD1 0.0055 -0.0055 0.0162 131 LEU 37 CD2 0.0028 -0.0029 0.0061 132 LEU 37 H 0.0037 -0.0030 -0.0086 133 LEU 37 HA 0.0085 -0.0075 0.0040 134 LEU 37 HB2 -0.0036 0.0026 0.0011 135 LEU 37 HB3 -0.0023 0.0013 0.0085 136 LEU 37 HG -0.0031 0.0017 0.0137 137 LEU 37 HD11 0.0062 -0.0063 0.0199 138 LEU 37 HD12 0.0095 -0.0088 0.0133 139 LEU 37 HD13 0.0039 -0.0043 0.0196 140 LEU 37 HD21 0.0037 -0.0038 0.0100 141 LEU 37 HD22 -0.0006 0.0001 0.0023 142 LEU 37 HD23 0.0067 -0.0060 0.0028 143 PRO 38 N 0.0027 0.0005 -0.0021 144 PRO 38 CA -0.0002 0.0021 -0.0026 145 PRO 38 C -0.0039 0.0047 -0.0023 146 PRO 38 O -0.0039 0.0065 0.0004 147 PRO 38 CB 0.0016 0.0031 0.0006 148 PRO 38 CG 0.0058 0.0011 0.0017 149 PRO 38 CD 0.0061 0.0004 0.0010 150 PRO 38 HA -0.0007 0.0006 -0.0053 151 PRO 38 HB2 0.0005 0.0054 0.0029 152 PRO 38 HB3 0.0010 0.0028 -0.0003 153 PRO 38 HG2 0.0071 0.0023 0.0047 154 PRO 38 HG3 0.0071 -0.0009 0.0000 155 PRO 38 HD2 0.0062 0.0021 0.0035 156 PRO 38 HD3 0.0086 -0.0018 0.0002 157 GLY 39 N -0.0077 0.0068 -0.0038 158 GLY 39 CA -0.0099 0.0084 -0.0038 159 GLY 39 C -0.0118 0.0100 -0.0046 160 GLY 39 O -0.0141 0.0112 -0.0039 161 GLY 39 H -0.0062 0.0065 -0.0053 162 GLY 39 HA2 -0.0095 0.0087 -0.0052 163 GLY 39 HA3 -0.0107 0.0079 -0.0017 164 GLY 40 N -0.0136 0.0065 -0.0030 165 GLY 40 CA -0.0135 0.0046 -0.0051 166 GLY 40 C -0.0110 0.0059 -0.0025 167 GLY 40 O -0.0110 0.0049 -0.0037 168 GLY 40 H -0.0117 0.0053 -0.0035 169 GLY 40 HA2 -0.0117 0.0020 -0.0073 170 GLY 40 HA3 -0.0171 0.0050 -0.0063 171 GLY 41 N -0.0090 0.0108 -0.0015 172 GLY 41 CA -0.0078 0.0124 0.0033 173 GLY 41 C -0.0092 0.0178 0.0041 174 GLY 41 O -0.0084 0.0199 0.0080 175 GLY 41 H -0.0092 0.0094 -0.0032 176 GLY 41 HA2 -0.0069 0.0112 0.0048 177 GLY 41 HA3 -0.0067 0.0110 0.0051 178 LEU 42 N -0.0113 0.0164 0.0015 179 LEU 42 CA -0.0105 0.0272 0.0005 180 LEU 42 C -0.0106 0.0304 -0.0028 181 LEU 42 O -0.0098 0.0393 -0.0027 182 LEU 42 CB -0.0111 0.0309 -0.0074 183 LEU 42 CG -0.0111 0.0285 -0.0053 184 LEU 42 CD1 -0.0118 0.0325 -0.0138 185 LEU 42 CD2 -0.0095 0.0329 0.0047 186 LEU 42 H -0.0124 0.0128 -0.0047 187 LEU 42 HA -0.0094 0.0307 0.0075 188 LEU 42 HB2 -0.0123 0.0276 -0.0145 189 LEU 42 HB3 -0.0105 0.0390 -0.0080 190 LEU 42 HG -0.0118 0.0204 -0.0050 191 LEU 42 HD11 -0.0117 0.0308 -0.0122 192 LEU 42 HD12 -0.0112 0.0405 -0.0146 193 LEU 42 HD13 -0.0129 0.0289 -0.0208 194 LEU 42 HD21 -0.0088 0.0410 0.0045 195 LEU 42 HD22 -0.0095 0.0312 0.0058 196 LEU 42 HD23 -0.0091 0.0295 0.0107 197 HIS 43 N -0.0061 0.0061 -0.0040 198 HIS 43 CA -0.0054 0.0032 -0.0044 199 HIS 43 C -0.0074 0.0020 -0.0050 200 HIS 43 O -0.0074 0.0024 -0.0049 201 HIS 43 CB -0.0026 0.0028 -0.0040 202 HIS 43 CG -0.0004 0.0042 -0.0034 203 HIS 43 ND1 0.0010 0.0031 -0.0034 204 HIS 43 CD2 0.0008 0.0066 -0.0028 205 HIS 43 CE1 0.0029 0.0048 -0.0028 206 HIS 43 NE2 0.0028 0.0069 -0.0024 207 HIS 43 H -0.0064 0.0072 -0.0039 208 HIS 43 HA -0.0054 0.0023 -0.0046 209 HIS 43 HB2 -0.0027 0.0034 -0.0039 210 HIS 43 HB3 -0.0022 0.0007 -0.0043 211 HIS 43 HD1 0.0006 0.0015 -0.0037 212 HIS 43 HD2 0.0002 0.0080 -0.0026 213 HIS 43 HE1 0.0043 0.0044 -0.0026 214 HIS 43 HE2 0.0037 0.0085 -0.0019 215 ARG 44 N 0.0052 0.0110 -0.0084 216 ARG 44 CA -0.0014 0.0047 -0.0065 217 ARG 44 C -0.0004 0.0020 -0.0102 218 ARG 44 O 0.0043 0.0066 -0.0114 219 ARG 44 CB -0.0061 0.0077 0.0021 220 ARG 44 CG -0.0066 0.0127 0.0073 221 ARG 44 CD -0.0110 0.0160 0.0156 222 ARG 44 NE -0.0114 0.0214 0.0211 223 ARG 44 CZ -0.0156 0.0242 0.0288 224 ARG 44 NH1 -0.0196 0.0224 0.0318 225 ARG 44 NH2 -0.0158 0.0289 0.0334 226 ARG 44 H 0.0081 0.0157 -0.0076 227 ARG 44 HA -0.0040 -0.0001 -0.0079 228 ARG 44 HB2 -0.0044 0.0110 0.0031 229 ARG 44 HB3 -0.0113 0.0026 0.0034 230 ARG 44 HG2 -0.0090 0.0091 0.0068 231 ARG 44 HG3 -0.0014 0.0175 0.0056 232 ARG 44 HD2 -0.0088 0.0192 0.0160 233 ARG 44 HD3 -0.0162 0.0110 0.0172 234 ARG 44 HE -0.0084 0.0228 0.0189 235 ARG 44 HH11 -0.0196 0.0188 0.0285 236 ARG 44 HH12 -0.0227 0.0245 0.0376 237 ARG 44 HH21 -0.0129 0.0305 0.0314 238 ARG 44 HH22 -0.0189 0.0311 0.0392 239 CYS 45 N 0.0008 -0.0043 -0.0091 240 CYS 45 CA -0.0007 -0.0069 -0.0083 241 CYS 45 C -0.0034 -0.0064 -0.0091 242 CYS 45 O -0.0032 -0.0055 -0.0095 243 CYS 45 CB 0.0010 -0.0090 -0.0071 244 CYS 45 SG -0.0011 -0.0122 -0.0062 245 CYS 45 H 0.0020 -0.0034 -0.0092 246 CYS 45 HA -0.0012 -0.0076 -0.0082 247 CYS 45 HB2 0.0028 -0.0094 -0.0065 248 CYS 45 HB3 0.0020 -0.0081 -0.0072 249 LEU 46 N -0.0038 -0.0012 -0.0119 250 LEU 46 CA -0.0109 -0.0002 -0.0030 251 LEU 46 C -0.0169 -0.0098 -0.0021 252 LEU 46 O -0.0236 -0.0127 0.0040 253 LEU 46 CB -0.0094 0.0082 0.0007 254 LEU 46 CG -0.0039 0.0183 0.0006 255 LEU 46 CD1 -0.0024 0.0260 0.0038 256 LEU 46 CD2 -0.0067 0.0214 0.0059 257 LEU 46 H 0.0007 0.0026 -0.0147 258 LEU 46 HA -0.0129 0.0015 0.0004 259 LEU 46 HB2 -0.0074 0.0065 -0.0028 260 LEU 46 HB3 -0.0148 0.0087 0.0072 261 LEU 46 HG 0.0013 0.0176 -0.0059 262 LEU 46 HD11 0.0001 0.0240 -0.0004 263 LEU 46 HD12 0.0014 0.0331 0.0039 264 LEU 46 HD13 -0.0077 0.0262 0.0101 265 LEU 46 HD21 -0.0072 0.0163 0.0032 266 LEU 46 HD22 -0.0121 0.0215 0.0124 267 LEU 46 HD23 -0.0027 0.0287 0.0059 268 ALA 47 N -0.0035 -0.0078 -0.0041 269 ALA 47 CA -0.0038 -0.0102 -0.0028 270 ALA 47 C -0.0024 -0.0114 -0.0031 271 ALA 47 O -0.0028 -0.0132 -0.0021 272 ALA 47 CB -0.0034 -0.0116 -0.0024 273 ALA 47 H -0.0029 -0.0075 -0.0046 274 ALA 47 HA -0.0055 -0.0100 -0.0018 275 ALA 47 HB1 -0.0037 -0.0134 -0.0014 276 ALA 47 HB2 -0.0017 -0.0119 -0.0034 277 ALA 47 HB3 -0.0044 -0.0108 -0.0022 278 CYS 48 N -0.0042 -0.0113 -0.0059 279 CYS 48 CA 0.0011 -0.0067 -0.0054 280 CYS 48 C 0.0014 0.0006 -0.0102 281 CYS 48 O 0.0049 0.0049 -0.0108 282 CYS 48 CB 0.0081 -0.0077 -0.0001 283 CYS 48 SG 0.0083 -0.0156 0.0053 284 CYS 48 H -0.0042 -0.0112 -0.0059 285 CYS 48 HA -0.0002 -0.0080 -0.0055 286 CYS 48 HB2 0.0099 -0.0077 0.0011 287 CYS 48 HB3 0.0119 -0.0042 0.0000 288 ALA 49 N -0.0043 0.0040 -0.0054 289 ALA 49 CA -0.0050 0.0093 -0.0067 290 ALA 49 C -0.0010 0.0131 -0.0041 291 ALA 49 O -0.0011 0.0181 -0.0049 292 ALA 49 CB -0.0088 0.0116 -0.0101 293 ALA 49 H -0.0048 0.0008 -0.0053 294 ALA 49 HA -0.0057 0.0086 -0.0072 295 ALA 49 HB1 -0.0081 0.0122 -0.0097 296 ALA 49 HB2 -0.0116 0.0088 -0.0119 297 ALA 49 HB3 -0.0093 0.0153 -0.0111 298 ARG 50 N 0.0142 0.0016 -0.0198 299 ARG 50 CA 0.0137 0.0020 -0.0189 300 ARG 50 C 0.0005 -0.0058 -0.0221 301 ARG 50 O -0.0108 -0.0085 -0.0190 302 ARG 50 CB 0.0149 0.0112 -0.0055 303 ARG 50 CG 0.0286 0.0195 -0.0017 304 ARG 50 CD 0.0290 0.0284 0.0116 305 ARG 50 NE 0.0421 0.0366 0.0157 306 ARG 50 CZ 0.0446 0.0453 0.0273 307 ARG 50 NH1 0.0352 0.0470 0.0359 308 ARG 50 NH2 0.0565 0.0523 0.0303 309 ARG 50 H 0.0080 0.0032 -0.0133 310 ARG 50 HA 0.0225 0.0011 -0.0259 311 ARG 50 HB2 0.0062 0.0121 0.0015 312 ARG 50 HB3 0.0139 0.0109 -0.0054 313 ARG 50 HG2 0.0373 0.0188 -0.0085 314 ARG 50 HG3 0.0297 0.0200 -0.0017 315 ARG 50 HD2 0.0201 0.0291 0.0184 316 ARG 50 HD3 0.0281 0.0279 0.0115 317 ARG 50 HE 0.0491 0.0353 0.0091 318 ARG 50 HH11 0.0261 0.0419 0.0341 319 ARG 50 HH12 0.0367 0.0534 0.0447 320 ARG 50 HH21 0.0640 0.0514 0.0240 321 ARG 50 HH22 0.0585 0.0589 0.0390 322 TYR 51 N -0.0028 -0.0003 0.0040 323 TYR 51 CA -0.0024 0.0031 0.0003 324 TYR 51 C -0.0023 0.0013 -0.0066 325 TYR 51 O -0.0027 -0.0043 -0.0083 326 TYR 51 CB -0.0026 0.0011 0.0024 327 TYR 51 CG -0.0028 0.0021 0.0094 328 TYR 51 CD1 -0.0034 -0.0027 0.0138 329 TYR 51 CD2 -0.0024 0.0077 0.0117 330 TYR 51 CE1 -0.0035 -0.0018 0.0202 331 TYR 51 CE2 -0.0026 0.0086 0.0181 332 TYR 51 CZ -0.0031 0.0038 0.0223 333 TYR 51 OH -0.0033 0.0047 0.0288 334 TYR 51 H -0.0032 -0.0048 0.0044 335 TYR 51 HA -0.0020 0.0081 0.0011 336 TYR 51 HB2 -0.0030 -0.0039 0.0013 337 TYR 51 HB3 -0.0023 0.0038 -0.0003 338 TYR 51 HD1 -0.0037 -0.0071 0.0121 339 TYR 51 HD2 -0.0019 0.0115 0.0084 340 TYR 51 HE1 -0.0040 -0.0055 0.0235 341 TYR 51 HE2 -0.0022 0.0131 0.0198 342 TYR 51 HH -0.0037 0.0008 0.0303 343 PHE 52 N -0.0010 -0.0015 -0.0065 344 PHE 52 CA -0.0005 -0.0016 -0.0067 345 PHE 52 C -0.0004 -0.0011 -0.0074 346 PHE 52 O -0.0009 -0.0007 -0.0076 347 PHE 52 CB -0.0007 -0.0018 -0.0062 348 PHE 52 CG -0.0008 -0.0023 -0.0054 349 PHE 52 CD1 -0.0015 -0.0022 -0.0051 350 PHE 52 CD2 -0.0003 -0.0028 -0.0051 351 PHE 52 CE1 -0.0016 -0.0027 -0.0044 352 PHE 52 CE2 -0.0004 -0.0033 -0.0045 353 PHE 52 CZ -0.0011 -0.0032 -0.0041 354 PHE 52 H -0.0015 -0.0012 -0.0065 355 PHE 52 HA 0.0000 -0.0019 -0.0066 356 PHE 52 HB2 -0.0012 -0.0015 -0.0062 357 PHE 52 HB3 -0.0003 -0.0020 -0.0063 358 PHE 52 HD1 -0.0019 -0.0018 -0.0053 359 PHE 52 HD2 0.0002 -0.0029 -0.0054 360 PHE 52 HE1 -0.0021 -0.0026 -0.0041 361 PHE 52 HE2 0.0000 -0.0037 -0.0042 362 PHE 52 HZ -0.0011 -0.0035 -0.0036 363 ILE 53 N -0.0065 0.0052 -0.0014 364 ILE 53 CA -0.0056 0.0044 0.0059 365 ILE 53 C -0.0010 -0.0014 0.0084 366 ILE 53 O 0.0009 -0.0036 0.0131 367 ILE 53 CB -0.0087 0.0088 0.0107 368 ILE 53 CG1 -0.0085 0.0085 0.0094 369 ILE 53 CG2 -0.0133 0.0146 0.0094 370 ILE 53 CD1 -0.0114 0.0124 0.0140 371 ILE 53 H -0.0088 0.0081 -0.0025 372 ILE 53 HA -0.0061 0.0051 0.0066 373 ILE 53 HB -0.0077 0.0077 0.0160 374 ILE 53 HG12 -0.0095 0.0093 0.0040 375 ILE 53 HG13 -0.0053 0.0043 0.0104 376 ILE 53 HG21 -0.0144 0.0157 0.0040 377 ILE 53 HG22 -0.0134 0.0148 0.0107 378 ILE 53 HG23 -0.0155 0.0176 0.0127 379 ILE 53 HD11 -0.0105 0.0115 0.0195 380 ILE 53 HD12 -0.0111 0.0120 0.0127 381 ILE 53 HD13 -0.0147 0.0167 0.0131 382 ASP 54 N 0.0019 0.0003 0.0019 383 ASP 54 CA 0.0071 -0.0039 0.0035 384 ASP 54 C 0.0072 -0.0098 -0.0013 385 ASP 54 O 0.0040 -0.0108 -0.0053 386 ASP 54 CB 0.0112 -0.0039 0.0075 387 ASP 54 CG 0.0168 -0.0080 0.0096 388 ASP 54 OD1 0.0192 -0.0063 0.0134 389 ASP 54 OD2 0.0189 -0.0128 0.0077 390 ASP 54 H -0.0003 -0.0009 -0.0012 391 ASP 54 HA 0.0080 -0.0028 0.0053 392 ASP 54 HB2 0.0109 0.0003 0.0107 393 ASP 54 HB3 0.0104 -0.0052 0.0056 394 SER 55 N 0.0083 -0.0106 0.0030 395 SER 55 CA 0.0079 -0.0179 -0.0009 396 SER 55 C 0.0097 -0.0209 0.0003 397 SER 55 O 0.0077 -0.0247 -0.0041 398 SER 55 CB 0.0106 -0.0233 0.0005 399 SER 55 OG 0.0104 -0.0307 -0.0030 400 SER 55 H 0.0104 -0.0101 0.0063 401 SER 55 HA 0.0042 -0.0173 -0.0059 402 SER 55 HB2 0.0089 -0.0212 -0.0010 403 SER 55 HB3 0.0142 -0.0235 0.0056 404 SER 55 HG 0.0131 -0.0336 -0.0004 405 THR 56 N 0.0091 -0.0207 -0.0003 406 THR 56 CA 0.0093 -0.0223 -0.0031 407 THR 56 C 0.0046 -0.0219 -0.0061 408 THR 56 O 0.0043 -0.0239 -0.0100 409 THR 56 CB 0.0108 -0.0214 -0.0003 410 THR 56 OG1 0.0150 -0.0215 0.0027 411 THR 56 CG2 0.0118 -0.0233 -0.0032 412 THR 56 H 0.0096 -0.0192 0.0029 413 THR 56 HA 0.0119 -0.0244 -0.0052 414 THR 56 HB 0.0080 -0.0194 0.0014 415 THR 56 HG1 0.0139 -0.0198 0.0052 416 THR 56 HG21 0.0128 -0.0226 -0.0012 417 THR 56 HG22 0.0145 -0.0253 -0.0050 418 THR 56 HG23 0.0086 -0.0233 -0.0055 419 ASN 57 N 0.0068 -0.0168 -0.0071 420 ASN 57 CA 0.0030 -0.0169 -0.0087 421 ASN 57 C 0.0009 -0.0182 -0.0110 422 ASN 57 O -0.0011 -0.0199 -0.0136 423 ASN 57 CB 0.0005 -0.0138 -0.0065 424 ASN 57 CG 0.0013 -0.0128 -0.0051 425 ASN 57 OD1 -0.0005 -0.0133 -0.0064 426 ASN 57 ND2 0.0041 -0.0114 -0.0026 427 ASN 57 H 0.0071 -0.0148 -0.0050 428 ASN 57 HA 0.0034 -0.0182 -0.0100 429 ASN 57 HB2 0.0012 -0.0123 -0.0046 430 ASN 57 HB3 -0.0026 -0.0137 -0.0076 431 ASN 57 HD21 0.0056 -0.0110 -0.0016 432 ASN 57 HD22 0.0046 -0.0108 -0.0017 433 LEU 58 N 0.0046 -0.0148 -0.0077 434 LEU 58 CA 0.0039 -0.0153 -0.0085 435 LEU 58 C 0.0043 -0.0165 -0.0090 436 LEU 58 O 0.0037 -0.0170 -0.0098 437 LEU 58 CB 0.0038 -0.0149 -0.0084 438 LEU 58 CG 0.0032 -0.0154 -0.0091 439 LEU 58 CD1 0.0039 -0.0165 -0.0093 440 LEU 58 CD2 0.0022 -0.0155 -0.0099 441 LEU 58 H 0.0050 -0.0144 -0.0072 442 LEU 58 HA 0.0031 -0.0150 -0.0089 443 LEU 58 HB2 0.0034 -0.0140 -0.0081 444 LEU 58 HB3 0.0046 -0.0150 -0.0079 445 LEU 58 HG 0.0030 -0.0149 -0.0089 446 LEU 58 HD11 0.0035 -0.0168 -0.0098 447 LEU 58 HD12 0.0042 -0.0170 -0.0094 448 LEU 58 HD13 0.0046 -0.0163 -0.0087 449 LEU 58 HD21 0.0024 -0.0160 -0.0101 450 LEU 58 HD22 0.0018 -0.0158 -0.0104 451 LEU 58 HD23 0.0017 -0.0147 -0.0097 452 LYS 59 N 0.0038 -0.0259 -0.0067 453 LYS 59 CA 0.0039 -0.0231 -0.0073 454 LYS 59 C 0.0018 -0.0187 -0.0076 455 LYS 59 O 0.0031 -0.0156 -0.0087 456 LYS 59 CB 0.0021 -0.0251 -0.0063 457 LYS 59 CG -0.0023 -0.0260 -0.0045 458 LYS 59 CD -0.0036 -0.0283 -0.0035 459 LYS 59 CE -0.0035 -0.0256 -0.0041 460 LYS 59 NZ -0.0064 -0.0219 -0.0040 461 LYS 59 H 0.0025 -0.0285 -0.0056 462 LYS 59 HA 0.0070 -0.0226 -0.0085 463 LYS 59 HB2 0.0025 -0.0231 -0.0068 464 LYS 59 HB3 0.0038 -0.0281 -0.0062 465 LYS 59 HG2 -0.0027 -0.0279 -0.0039 466 LYS 59 HG3 -0.0041 -0.0231 -0.0045 467 LYS 59 HD2 -0.0016 -0.0310 -0.0036 468 LYS 59 HD3 -0.0066 -0.0292 -0.0022 469 LYS 59 HE2 -0.0005 -0.0246 -0.0054 470 LYS 59 HE3 -0.0043 -0.0276 -0.0034 471 LYS 59 HZ1 -0.0094 -0.0228 -0.0027 472 LYS 59 HZ2 -0.0062 -0.0202 -0.0044 473 LYS 59 HZ3 -0.0059 -0.0199 -0.0046 474 THR 60 N 0.0018 -0.0172 -0.0109 475 THR 60 CA -0.0006 -0.0181 -0.0141 476 THR 60 C 0.0028 -0.0201 -0.0088 477 THR 60 O 0.0026 -0.0179 -0.0095 478 THR 60 CB -0.0051 -0.0245 -0.0190 479 THR 60 OG1 -0.0083 -0.0224 -0.0240 480 THR 60 CG2 -0.0077 -0.0256 -0.0223 481 THR 60 H 0.0006 -0.0209 -0.0117 482 THR 60 HA -0.0016 -0.0124 -0.0167 483 THR 60 HB -0.0039 -0.0299 -0.0161 484 THR 60 HG1 -0.0070 -0.0230 -0.0220 485 THR 60 HG21 -0.0108 -0.0302 -0.0257 486 THR 60 HG22 -0.0087 -0.0201 -0.0250 487 THR 60 HG23 -0.0053 -0.0273 -0.0186 488 HIS 61 N 0.0055 -0.0115 -0.0017 489 HIS 61 CA 0.0089 -0.0122 0.0015 490 HIS 61 C 0.0075 -0.0098 0.0060 491 HIS 61 O 0.0102 -0.0099 0.0096 492 HIS 61 CB 0.0109 -0.0142 -0.0009 493 HIS 61 CG 0.0133 -0.0144 0.0023 494 HIS 61 ND1 0.0173 -0.0156 0.0049 495 HIS 61 CD2 0.0122 -0.0133 0.0035 496 HIS 61 CE1 0.0184 -0.0152 0.0076 497 HIS 61 NE2 0.0154 -0.0138 0.0068 498 HIS 61 H 0.0044 -0.0120 -0.0046 499 HIS 61 HA 0.0113 -0.0133 0.0023 500 HIS 61 HB2 0.0130 -0.0163 -0.0031 501 HIS 61 HB3 0.0083 -0.0136 -0.0031 502 HIS 61 HD1 0.0190 -0.0166 0.0048 503 HIS 61 HD2 0.0093 -0.0122 0.0022 504 HIS 61 HE1 0.0211 -0.0157 0.0103 505 PHE 62 N 0.0067 -0.0078 -0.0002 506 PHE 62 CA 0.0068 -0.0073 0.0003 507 PHE 62 C 0.0058 -0.0057 0.0027 508 PHE 62 O 0.0056 -0.0052 0.0034 509 PHE 62 CB 0.0055 -0.0092 -0.0006 510 PHE 62 CG 0.0061 -0.0110 -0.0029 511 PHE 62 CD1 0.0084 -0.0107 -0.0045 512 PHE 62 CD2 0.0043 -0.0129 -0.0035 513 PHE 62 CE1 0.0089 -0.0124 -0.0066 514 PHE 62 CE2 0.0048 -0.0146 -0.0056 515 PHE 62 CZ 0.0071 -0.0143 -0.0072 516 PHE 62 H 0.0054 -0.0090 -0.0003 517 PHE 62 HA 0.0086 -0.0066 -0.0004 518 PHE 62 HB2 0.0036 -0.0098 0.0003 519 PHE 62 HB3 0.0061 -0.0087 -0.0005 520 PHE 62 HD1 0.0098 -0.0092 -0.0040 521 PHE 62 HD2 0.0025 -0.0132 -0.0023 522 PHE 62 HE1 0.0107 -0.0121 -0.0077 523 PHE 62 HE2 0.0034 -0.0161 -0.0061 524 PHE 62 HZ 0.0074 -0.0157 -0.0088 525 ARG 63 N 0.0191 0.0050 0.0081 526 ARG 63 CA 0.0117 0.0179 0.0127 527 ARG 63 C 0.0227 0.0272 0.0185 528 ARG 63 O 0.0184 0.0382 0.0228 529 ARG 63 CB -0.0014 0.0152 0.0096 530 ARG 63 CG -0.0140 0.0086 0.0047 531 ARG 63 CD -0.0267 0.0060 0.0017 532 ARG 63 NE -0.0327 0.0187 0.0065 533 ARG 63 CZ -0.0453 0.0198 0.0051 534 ARG 63 NH1 -0.0540 0.0092 -0.0009 535 ARG 63 NH2 -0.0493 0.0317 0.0098 536 ARG 63 H 0.0180 -0.0037 0.0040 537 ARG 63 HA 0.0075 0.0232 0.0145 538 ARG 63 HB2 0.0026 0.0085 0.0072 539 ARG 63 HB3 -0.0057 0.0250 0.0133 540 ARG 63 HG2 -0.0181 0.0154 0.0072 541 ARG 63 HG3 -0.0097 -0.0011 0.0010 542 ARG 63 HD2 -0.0355 0.0016 -0.0016 543 ARG 63 HD3 -0.0227 -0.0013 -0.0010 544 ARG 63 HE -0.0266 0.0267 0.0110 545 ARG 63 HH11 -0.0514 0.0001 -0.0046 546 ARG 63 HH12 -0.0636 0.0098 -0.0021 547 ARG 63 HH21 -0.0430 0.0399 0.0144 548 ARG 63 HH22 -0.0587 0.0331 0.0091 549 SER 64 N 0.0043 0.0109 0.0191 550 SER 64 CA 0.0075 0.0146 0.0189 551 SER 64 C 0.0066 0.0129 0.0181 552 SER 64 O 0.0069 0.0102 0.0140 553 SER 64 CB 0.0113 0.0158 0.0144 554 SER 64 OG 0.0118 0.0163 0.0143 555 SER 64 H 0.0046 0.0090 0.0161 556 SER 64 HA 0.0077 0.0174 0.0222 557 SER 64 HB2 0.0113 0.0132 0.0111 558 SER 64 HB3 0.0138 0.0190 0.0146 559 SER 64 HG 0.0124 0.0191 0.0169 560 LYS 65 N -0.0038 0.0223 0.0341 561 LYS 65 CA 0.0071 0.0144 0.0204 562 LYS 65 C 0.0080 0.0173 0.0050 563 LYS 65 O 0.0182 0.0086 -0.0027 564 LYS 65 CB 0.0087 0.0141 0.0146 565 LYS 65 CG -0.0027 0.0273 0.0093 566 LYS 65 CD -0.0068 0.0354 -0.0069 567 LYS 65 CE -0.0181 0.0482 -0.0114 568 LYS 65 NZ -0.0227 0.0566 -0.0266 569 LYS 65 H -0.0100 0.0279 0.0372 570 LYS 65 HA 0.0150 0.0048 0.0267 571 LYS 65 HB2 0.0162 0.0092 0.0035 572 LYS 65 HB3 0.0116 0.0086 0.0251 573 LYS 65 HG2 -0.0005 0.0255 0.0069 574 LYS 65 HG3 -0.0104 0.0326 0.0201 575 LYS 65 HD2 -0.0091 0.0372 -0.0048 576 LYS 65 HD3 0.0009 0.0301 -0.0177 577 LYS 65 HE2 -0.0155 0.0462 -0.0145 578 LYS 65 HE3 -0.0255 0.0530 -0.0002 579 LYS 65 HZ1 -0.0158 0.0522 -0.0377 580 LYS 65 HZ2 -0.0256 0.0590 -0.0241 581 LYS 65 HZ3 -0.0302 0.0651 -0.0295 582 ASP 66 N 0.0047 0.0179 0.0184 583 ASP 66 CA 0.0054 0.0197 0.0127 584 ASP 66 C 0.0074 0.0169 0.0130 585 ASP 66 O 0.0098 0.0160 0.0084 586 ASP 66 CB 0.0014 0.0255 0.0114 587 ASP 66 CG 0.0020 0.0277 0.0050 588 ASP 66 OD1 0.0025 0.0291 0.0006 589 ASP 66 OD2 0.0018 0.0282 0.0043 590 ASP 66 H 0.0019 0.0203 0.0212 591 ASP 66 HA 0.0076 0.0186 0.0089 592 ASP 66 HB2 -0.0002 0.0273 0.0120 593 ASP 66 HB3 -0.0006 0.0264 0.0148 594 HIS 67 N 0.0080 0.0055 0.0105 595 HIS 67 CA 0.0089 0.0026 0.0080 596 HIS 67 C 0.0077 0.0011 0.0074 597 HIS 67 O 0.0097 0.0003 0.0060 598 HIS 67 CB 0.0072 0.0005 0.0072 599 HIS 67 CG 0.0081 -0.0024 0.0047 600 HIS 67 ND1 0.0113 -0.0027 0.0030 601 HIS 67 CD2 0.0067 -0.0047 0.0036 602 HIS 67 CE1 0.0118 -0.0051 0.0011 603 HIS 67 NE2 0.0091 -0.0064 0.0014 604 HIS 67 H 0.0064 0.0058 0.0114 605 HIS 67 HA 0.0116 0.0029 0.0070 606 HIS 67 HB2 0.0081 0.0013 0.0074 607 HIS 67 HB3 0.0045 -0.0000 0.0080 608 HIS 67 HD1 0.0130 -0.0014 0.0033 609 HIS 67 HD2 0.0040 -0.0051 0.0045 610 HIS 67 HE1 0.0140 -0.0060 -0.0005 611 LYS 68 N 0.0057 -0.0017 0.0049 612 LYS 68 CA 0.0044 -0.0024 0.0047 613 LYS 68 C 0.0034 -0.0033 0.0051 614 LYS 68 O 0.0021 -0.0037 0.0045 615 LYS 68 CB 0.0047 -0.0028 0.0054 616 LYS 68 CG 0.0058 -0.0018 0.0051 617 LYS 68 CD 0.0061 -0.0023 0.0059 618 LYS 68 CE 0.0067 -0.0031 0.0073 619 LYS 68 NZ 0.0071 -0.0035 0.0081 620 LYS 68 H 0.0065 -0.0018 0.0056 621 LYS 68 HA 0.0039 -0.0018 0.0037 622 LYS 68 HB2 0.0051 -0.0034 0.0064 623 LYS 68 HB3 0.0037 -0.0032 0.0052 624 LYS 68 HG2 0.0055 -0.0011 0.0041 625 LYS 68 HG3 0.0068 -0.0014 0.0053 626 LYS 68 HD2 0.0051 -0.0027 0.0057 627 LYS 68 HD3 0.0068 -0.0016 0.0056 628 LYS 68 HE2 0.0077 -0.0026 0.0075 629 LYS 68 HE3 0.0060 -0.0038 0.0076 630 LYS 68 HZ1 0.0062 -0.0039 0.0079 631 LYS 68 HZ2 0.0076 -0.0040 0.0090 632 LYS 68 HZ3 0.0079 -0.0028 0.0078 633 LYS 69 N 0.0030 0.0005 0.0080 634 LYS 69 CA 0.0048 0.0019 0.0008 635 LYS 69 C 0.0063 0.0026 -0.0049 636 LYS 69 O 0.0096 -0.0004 -0.0104 637 LYS 69 CB 0.0017 0.0086 0.0005 638 LYS 69 CG 0.0024 0.0123 -0.0068 639 LYS 69 CD -0.0013 0.0192 -0.0056 640 LYS 69 CE -0.0013 0.0240 -0.0124 641 LYS 69 NZ -0.0052 0.0307 -0.0104 642 LYS 69 H 0.0003 0.0037 0.0115 643 LYS 69 HA 0.0070 -0.0022 -0.0001 644 LYS 69 HB2 0.0011 0.0076 0.0036 645 LYS 69 HB3 -0.0009 0.0121 0.0033 646 LYS 69 HG2 0.0031 0.0130 -0.0098 647 LYS 69 HG3 0.0047 0.0092 -0.0095 648 LYS 69 HD2 -0.0019 0.0181 -0.0025 649 LYS 69 HD3 -0.0036 0.0218 -0.0024 650 LYS 69 HE2 -0.0006 0.0249 -0.0158 651 LYS 69 HE3 0.0008 0.0216 -0.0153 652 LYS 69 HZ1 -0.0054 0.0343 -0.0150 653 LYS 69 HZ2 -0.0072 0.0329 -0.0074 654 LYS 69 HZ3 -0.0059 0.0298 -0.0070 655 ARG 70 N 0.0034 -0.0005 0.0029 656 ARG 70 CA 0.0014 -0.0006 0.0060 657 ARG 70 C 0.0007 0.0035 0.0071 658 ARG 70 O -0.0012 0.0044 0.0100 659 ARG 70 CB 0.0015 -0.0029 0.0058 660 ARG 70 CG -0.0006 -0.0034 0.0091 661 ARG 70 CD -0.0021 -0.0055 0.0115 662 ARG 70 NE -0.0041 -0.0059 0.0147 663 ARG 70 CZ -0.0059 -0.0060 0.0175 664 ARG 70 NH1 -0.0059 -0.0058 0.0175 665 ARG 70 NH2 -0.0077 -0.0065 0.0203 666 ARG 70 H 0.0046 -0.0014 0.0010 667 ARG 70 HA 0.0003 -0.0019 0.0077 668 ARG 70 HB2 0.0023 -0.0056 0.0047 669 ARG 70 HB3 0.0025 -0.0013 0.0043 670 ARG 70 HG2 -0.0003 -0.0051 0.0088 671 ARG 70 HG3 -0.0012 -0.0006 0.0101 672 ARG 70 HD2 -0.0023 -0.0038 0.0118 673 ARG 70 HD3 -0.0014 -0.0083 0.0106 674 ARG 70 HE -0.0041 -0.0062 0.0148 675 ARG 70 HH11 -0.0046 -0.0055 0.0155 676 ARG 70 HH12 -0.0072 -0.0058 0.0196 677 ARG 70 HH21 -0.0077 -0.0067 0.0204 678 ARG 70 HH22 -0.0091 -0.0066 0.0225 679 LEU 71 N -0.0002 -0.0053 0.0052 680 LEU 71 CA -0.0013 -0.0048 0.0042 681 LEU 71 C -0.0028 -0.0045 0.0051 682 LEU 71 O -0.0037 -0.0042 0.0048 683 LEU 71 CB -0.0016 -0.0046 0.0029 684 LEU 71 CG -0.0002 -0.0049 0.0018 685 LEU 71 CD1 -0.0006 -0.0046 0.0006 686 LEU 71 CD2 0.0005 -0.0050 0.0011 687 LEU 71 H 0.0002 -0.0054 0.0051 688 LEU 71 HA -0.0010 -0.0049 0.0036 689 LEU 71 HB2 -0.0019 -0.0045 0.0035 690 LEU 71 HB3 -0.0024 -0.0042 0.0022 691 LEU 71 HG 0.0007 -0.0053 0.0025 692 LEU 71 HD11 -0.0014 -0.0043 -0.0002 693 LEU 71 HD12 -0.0010 -0.0045 0.0011 694 LEU 71 HD13 0.0004 -0.0048 -0.0002 695 LEU 71 HD21 0.0009 -0.0053 0.0020 696 LEU 71 HD22 -0.0003 -0.0047 0.0004 697 LEU 71 HD23 0.0015 -0.0052 0.0003 698 LYS 72 N -0.0075 -0.0053 0.0066 699 LYS 72 CA -0.0039 -0.0053 0.0041 700 LYS 72 C -0.0069 -0.0061 0.0039 701 LYS 72 O -0.0046 -0.0051 0.0049 702 LYS 72 CB -0.0018 -0.0069 -0.0016 703 LYS 72 CG 0.0022 -0.0070 -0.0046 704 LYS 72 CD 0.0042 -0.0085 -0.0100 705 LYS 72 CE 0.0083 -0.0086 -0.0131 706 LYS 72 NZ 0.0105 -0.0100 -0.0182 707 LYS 72 H -0.0085 -0.0063 0.0046 708 LYS 72 HA -0.0004 -0.0034 0.0064 709 LYS 72 HB2 0.0002 -0.0062 -0.0014 710 LYS 72 HB3 -0.0053 -0.0087 -0.0038 711 LYS 72 HG2 0.0000 -0.0078 -0.0052 712 LYS 72 HG3 0.0056 -0.0051 -0.0023 713 LYS 72 HD2 0.0063 -0.0077 -0.0094 714 LYS 72 HD3 0.0008 -0.0103 -0.0123 715 LYS 72 HE2 0.0062 -0.0094 -0.0138 716 LYS 72 HE3 0.0116 -0.0067 -0.0107 717 LYS 72 HZ1 0.0074 -0.0118 -0.0207 718 LYS 72 HZ2 0.0127 -0.0092 -0.0177 719 LYS 72 HZ3 0.0133 -0.0100 -0.0202 720 GLN 73 N -0.0021 -0.0008 0.0058 721 GLN 73 CA -0.0009 -0.0002 0.0052 722 GLN 73 C 0.0005 -0.0018 0.0072 723 GLN 73 O 0.0028 -0.0016 0.0070 724 GLN 73 CB -0.0032 0.0006 0.0041 725 GLN 73 CG -0.0046 0.0023 0.0020 726 GLN 73 CD -0.0070 0.0030 0.0010 727 GLN 73 OE1 -0.0085 0.0020 0.0023 728 GLN 73 NE2 -0.0074 0.0048 -0.0011 729 GLN 73 H -0.0042 -0.0008 0.0058 730 GLN 73 HA 0.0007 0.0008 0.0039 731 GLN 73 HB2 -0.0049 -0.0004 0.0053 732 GLN 73 HB3 -0.0023 0.0010 0.0037 733 GLN 73 HG2 -0.0030 0.0033 0.0007 734 GLN 73 HG3 -0.0055 0.0019 0.0024 735 GLN 73 HE21 -0.0062 0.0055 -0.0020 736 GLN 73 HE22 -0.0089 0.0053 -0.0018 737 LEU 74 N -0.0060 -0.0034 0.0144 738 LEU 74 CA -0.0061 -0.0033 0.0162 739 LEU 74 C -0.0066 0.0005 0.0163 740 LEU 74 O -0.0068 0.0012 0.0184 741 LEU 74 CB -0.0057 -0.0060 0.0145 742 LEU 74 CG -0.0058 -0.0067 0.0163 743 LEU 74 CD1 -0.0060 -0.0081 0.0202 744 LEU 74 CD2 -0.0053 -0.0094 0.0142 745 LEU 74 H -0.0056 -0.0042 0.0118 746 LEU 74 HA -0.0063 -0.0042 0.0190 747 LEU 74 HB2 -0.0054 -0.0086 0.0141 748 LEU 74 HB3 -0.0056 -0.0049 0.0118 749 LEU 74 HG -0.0061 -0.0042 0.0164 750 LEU 74 HD11 -0.0060 -0.0085 0.0214 751 LEU 74 HD12 -0.0057 -0.0105 0.0202 752 LEU 74 HD13 -0.0063 -0.0060 0.0218 753 LEU 74 HD21 -0.0050 -0.0120 0.0140 754 LEU 74 HD22 -0.0054 -0.0098 0.0155 755 LEU 74 HD23 -0.0052 -0.0084 0.0115 756 SER 75 N -0.0133 -0.0055 0.0113 757 SER 75 CA -0.0199 -0.0045 0.0086 758 SER 75 C -0.0162 0.0040 0.0025 759 SER 75 O -0.0220 0.0071 -0.0017 760 SER 75 CB -0.0317 -0.0058 0.0065 761 SER 75 OG -0.0383 -0.0053 0.0043 762 SER 75 H -0.0081 -0.0091 0.0158 763 SER 75 HA -0.0187 -0.0091 0.0129 764 SER 75 HB2 -0.0338 -0.0118 0.0110 765 SER 75 HB3 -0.0328 -0.0011 0.0022 766 SER 75 HG -0.0440 -0.0098 0.0065 767 VAL 76 N -0.0120 -0.0002 0.0052 768 VAL 76 CA -0.0111 0.0010 0.0027 769 VAL 76 C -0.0118 0.0022 0.0016 770 VAL 76 O -0.0131 0.0039 0.0002 771 VAL 76 CB -0.0083 -0.0001 0.0018 772 VAL 76 CG1 -0.0074 0.0011 -0.0008 773 VAL 76 CG2 -0.0075 -0.0013 0.0029 774 VAL 76 H -0.0108 -0.0015 0.0062 775 VAL 76 HA -0.0119 0.0018 0.0022 776 VAL 76 HB -0.0076 -0.0010 0.0024 777 VAL 76 HG11 -0.0055 0.0003 -0.0014 778 VAL 76 HG12 -0.0082 0.0020 -0.0014 779 VAL 76 HG13 -0.0079 0.0019 -0.0015 780 VAL 76 HG21 -0.0056 -0.0021 0.0023 781 VAL 76 HG22 -0.0081 -0.0023 0.0048 782 VAL 76 HG23 -0.0083 -0.0005 0.0024 783 GLU 77 N -0.0083 -0.0049 0.0035 784 GLU 77 CA -0.0076 -0.0043 0.0030 785 GLU 77 C -0.0074 -0.0058 0.0034 786 GLU 77 O -0.0062 -0.0071 0.0033 787 GLU 77 CB -0.0058 -0.0035 0.0020 788 GLU 77 CG -0.0044 -0.0048 0.0018 789 GLU 77 CD -0.0027 -0.0040 0.0008 790 GLU 77 OE1 -0.0026 -0.0027 0.0003 791 GLU 77 OE2 -0.0014 -0.0046 0.0005 792 GLU 77 H -0.0079 -0.0061 0.0037 793 GLU 77 HA -0.0085 -0.0032 0.0030 794 GLU 77 HB2 -0.0052 -0.0033 0.0017 795 GLU 77 HB3 -0.0061 -0.0022 0.0016 796 GLU 77 HG2 -0.0049 -0.0049 0.0021 797 GLU 77 HG3 -0.0042 -0.0061 0.0021 798 PRO 78 N -0.0031 -0.0101 0.0046 799 PRO 78 CA -0.0004 -0.0129 0.0007 800 PRO 78 C 0.0041 -0.0131 0.0017 801 PRO 78 O 0.0072 -0.0118 0.0049 802 PRO 78 CB 0.0011 -0.0138 -0.0003 803 PRO 78 CG -0.0021 -0.0117 0.0022 804 PRO 78 CD -0.0031 -0.0092 0.0062 805 PRO 78 HA -0.0028 -0.0141 -0.0020 806 PRO 78 HB2 0.0050 -0.0139 0.0007 807 PRO 78 HB3 0.0004 -0.0157 -0.0038 808 PRO 78 HG2 -0.0002 -0.0115 0.0031 809 PRO 78 HG3 -0.0056 -0.0123 0.0003 810 PRO 78 HD2 -0.0001 -0.0082 0.0088 811 PRO 78 HD3 -0.0067 -0.0079 0.0072 812 TYR 79 N 0.0004 -0.0095 -0.0087 813 TYR 79 CA -0.0044 -0.0109 -0.0031 814 TYR 79 C -0.0148 -0.0142 0.0094 815 TYR 79 O -0.0113 -0.0226 0.0195 816 TYR 79 CB 0.0073 -0.0173 -0.0019 817 TYR 79 CG 0.0166 -0.0134 -0.0145 818 TYR 79 CD1 0.0280 -0.0152 -0.0199 819 TYR 79 CD2 0.0139 -0.0077 -0.0211 820 TYR 79 CE1 0.0363 -0.0116 -0.0314 821 TYR 79 CE2 0.0222 -0.0040 -0.0327 822 TYR 79 CZ 0.0334 -0.0059 -0.0378 823 TYR 79 OH 0.0417 -0.0022 -0.0495 824 TYR 79 H -0.0024 -0.0031 -0.0163 825 TYR 79 HA -0.0099 -0.0040 -0.0095 826 TYR 79 HB2 0.0135 -0.0240 0.0037 827 TYR 79 HB3 0.0029 -0.0182 0.0026 828 TYR 79 HD1 0.0302 -0.0196 -0.0148 829 TYR 79 HD2 0.0051 -0.0062 -0.0171 830 TYR 79 HE1 0.0451 -0.0131 -0.0354 831 TYR 79 HE2 0.0199 0.0004 -0.0377 832 TYR 79 HH 0.0355 0.0043 -0.0549 833 SER 80 N -0.0102 -0.0067 0.0013 834 SER 80 CA -0.0080 -0.0066 -0.0009 835 SER 80 C -0.0071 -0.0066 -0.0014 836 SER 80 O -0.0087 -0.0066 -0.0003 837 SER 80 CB -0.0054 -0.0076 -0.0001 838 SER 80 OG -0.0031 -0.0075 -0.0023 839 SER 80 H -0.0097 -0.0075 0.0032 840 SER 80 HA -0.0087 -0.0057 -0.0028 841 SER 80 HB2 -0.0061 -0.0075 0.0004 842 SER 80 HB3 -0.0046 -0.0084 0.0018 843 SER 80 HG -0.0038 -0.0069 -0.0036 844 GLN 81 N 0.0060 -0.0020 -0.0062 845 GLN 81 CA 0.0085 -0.0022 -0.0086 846 GLN 81 C 0.0097 -0.0052 -0.0076 847 GLN 81 O 0.0092 -0.0077 -0.0054 848 GLN 81 CB 0.0108 -0.0024 -0.0108 849 GLN 81 CG 0.0133 -0.0021 -0.0137 850 GLN 81 CD 0.0157 -0.0026 -0.0158 851 GLN 81 OE1 0.0162 -0.0044 -0.0150 852 GLN 81 NE2 0.0172 -0.0009 -0.0185 853 GLN 81 H 0.0060 -0.0024 -0.0058 854 GLN 81 HA 0.0080 0.0000 -0.0096 855 GLN 81 HB2 0.0099 -0.0004 -0.0113 856 GLN 81 HB3 0.0116 -0.0048 -0.0099 857 GLN 81 HG2 0.0141 -0.0039 -0.0132 858 GLN 81 HG3 0.0126 0.0004 -0.0146 859 GLN 81 HE21 0.0167 0.0006 -0.0190 860 GLN 81 HE22 0.0188 -0.0012 -0.0199 861 GLU 82 N 0.0182 -0.0061 -0.0038 862 GLU 82 CA 0.0199 -0.0089 0.0015 863 GLU 82 C 0.0150 -0.0121 0.0040 864 GLU 82 O 0.0153 -0.0148 0.0084 865 GLU 82 CB 0.0247 -0.0083 0.0032 866 GLU 82 CG 0.0269 -0.0110 0.0086 867 GLU 82 CD 0.0317 -0.0101 0.0098 868 GLU 82 OE1 0.0310 -0.0103 0.0099 869 GLU 82 OE2 0.0364 -0.0091 0.0108 870 GLU 82 H 0.0177 -0.0053 -0.0054 871 GLU 82 HA 0.0212 -0.0090 0.0024 872 GLU 82 HB2 0.0280 -0.0060 0.0014 873 GLU 82 HB3 0.0235 -0.0080 0.0021 874 GLU 82 HG2 0.0238 -0.0132 0.0105 875 GLU 82 HG3 0.0281 -0.0113 0.0098 876 GLU 83 N -0.0074 -0.0078 0.0077 877 GLU 83 CA -0.0152 -0.0109 0.0111 878 GLU 83 C -0.0257 -0.0161 0.0053 879 GLU 83 O -0.0337 -0.0191 0.0112 880 GLU 83 CB -0.0109 -0.0093 0.0084 881 GLU 83 CG -0.0185 -0.0123 0.0116 882 GLU 83 CD -0.0134 -0.0103 0.0099 883 GLU 83 OE1 -0.0122 -0.0106 0.0001 884 GLU 83 OE2 -0.0105 -0.0081 0.0186 885 GLU 83 H -0.0060 -0.0080 -0.0005 886 GLU 83 HA -0.0166 -0.0106 0.0203 887 GLU 83 HB2 -0.0038 -0.0057 0.0129 888 GLU 83 HB3 -0.0091 -0.0093 -0.0008 889 GLU 83 HG2 -0.0253 -0.0159 0.0062 890 GLU 83 HG3 -0.0210 -0.0126 0.0205 891 ALA 84 N -0.0318 -0.0097 0.0026 892 ALA 84 CA -0.0536 -0.0069 -0.0128 893 ALA 84 C -0.0489 -0.0049 -0.0321 894 ALA 84 O -0.0612 -0.0021 -0.0510 895 ALA 84 CB -0.0605 -0.0053 -0.0241 896 ALA 84 H -0.0183 -0.0095 -0.0035 897 ALA 84 HA -0.0682 -0.0077 -0.0012 898 ALA 84 HB1 -0.0763 -0.0033 -0.0356 899 ALA 84 HB2 -0.0454 -0.0047 -0.0349 900 ALA 84 HB3 -0.0652 -0.0068 -0.0098 901 GLU 85 N -0.0156 0.0085 -0.0196 902 GLU 85 CA 0.0006 0.0158 -0.0296 903 GLU 85 C 0.0175 0.0020 -0.0237 904 GLU 85 O 0.0250 -0.0032 -0.0218 905 GLU 85 CB 0.0029 0.0283 -0.0396 906 GLU 85 CG 0.0173 0.0392 -0.0518 907 GLU 85 CD 0.0384 0.0316 -0.0517 908 GLU 85 OE1 0.0470 0.0312 -0.0537 909 GLU 85 OE2 0.0467 0.0259 -0.0496 910 GLU 85 H -0.0127 -0.0028 -0.0119 911 GLU 85 HA -0.0011 0.0213 -0.0333 912 GLU 85 HB2 -0.0111 0.0356 -0.0414 913 GLU 85 HB3 0.0074 0.0219 -0.0361 914 GLU 85 HG2 0.0138 0.0412 -0.0524 915 GLU 85 HG3 0.0141 0.0500 -0.0591 916 ARG 86 N 0.0250 -0.0026 -0.0346 917 ARG 86 CA 0.0377 -0.0072 -0.0207 918 ARG 86 C 0.0444 -0.0065 -0.0210 919 ARG 86 O 0.0347 -0.0050 -0.0267 920 ARG 86 CB 0.0298 -0.0149 -0.0032 921 ARG 86 CG 0.0095 -0.0177 -0.0004 922 ARG 86 CD 0.0058 -0.0180 -0.0002 923 ARG 86 NE -0.0139 -0.0201 0.0009 924 ARG 86 CZ -0.0220 -0.0196 -0.0019 925 ARG 86 NH1 -0.0121 -0.0174 -0.0052 926 ARG 86 NH2 -0.0401 -0.0213 -0.0012 927 ARG 86 H 0.0138 -0.0027 -0.0365 928 ARG 86 HA 0.0496 -0.0055 -0.0226 929 ARG 86 HB2 0.0379 -0.0183 0.0068 930 ARG 86 HB3 0.0312 -0.0154 -0.0018 931 ARG 86 HG2 0.0055 -0.0229 0.0118 932 ARG 86 HG3 0.0012 -0.0143 -0.0104 933 ARG 86 HD2 0.0109 -0.0130 -0.0117 934 ARG 86 HD3 0.0129 -0.0219 0.0107 935 ARG 86 HE -0.0214 -0.0218 0.0038 936 ARG 86 HH11 0.0015 -0.0161 -0.0059 937 ARG 86 HH12 -0.0180 -0.0171 -0.0073 938 ARG 86 HH21 -0.0479 -0.0230 0.0013 939 ARG 86 HH22 -0.0468 -0.0210 -0.0033 940 ALA 87 N 0.0218 0.0047 -0.0066 941 ALA 87 CA 0.0023 0.0061 0.0111 942 ALA 87 C -0.0051 0.0222 0.0210 943 ALA 87 O -0.0163 0.0365 0.0339 944 ALA 87 CB 0.0009 0.0172 0.0146 945 ALA 87 H 0.0308 0.0190 -0.0119 946 ALA 87 HA -0.0053 -0.0122 0.0144 947 ALA 87 HB1 0.0089 0.0352 0.0110 948 ALA 87 HB2 0.0063 0.0056 0.0075 949 ALA 87 HB3 -0.0135 0.0188 0.0278 950 ALA 88 N -0.0416 0.0215 0.0404 951 ALA 88 CA -0.0353 0.0359 0.0056 952 ALA 88 C 0.0069 -0.0067 0.0099 953 ALA 88 O 0.0488 -0.0260 -0.0255 954 ALA 88 CB -0.0279 0.0655 -0.0570 955 ALA 88 H -0.0128 -0.0039 0.0369 956 ALA 88 HA -0.0681 0.0570 0.0229 957 ALA 88 HB1 0.0051 0.0447 -0.0750 958 ALA 88 HB2 -0.0586 0.0958 -0.0588 959 ALA 88 HB3 -0.0245 0.0766 -0.0816 960 GLY 89 N 0.0211 -0.0269 0.0570 961 GLY 89 CA 0.0588 -0.0429 0.0602 962 GLY 89 C 0.0419 -0.0444 0.0807 963 GLY 89 O 0.0140 -0.0262 0.0623 964 GLY 89 H -0.0090 -0.0223 0.0751 965 GLY 89 HA2 0.0769 -0.0364 0.0262 966 GLY 89 HA3 0.0819 -0.0604 0.0816 967 MET 90 N -0.0068 0.0172 -0.0511 968 MET 90 CA -0.0037 0.0163 -0.0391 969 MET 90 C 0.0036 0.0102 -0.0458 970 MET 90 O -0.0018 0.0134 -0.0526 971 MET 90 CB -0.0155 0.0257 -0.0312 972 MET 90 CG -0.0133 0.0257 -0.0163 973 MET 90 SD -0.0052 0.0196 -0.0187 974 MET 90 CE -0.0057 0.0219 0.0003 975 MET 90 H -0.0033 0.0148 -0.0495 976 MET 90 HA 0.0026 0.0126 -0.0306 977 MET 90 HB2 -0.0210 0.0300 -0.0283 978 MET 90 HB3 -0.0211 0.0289 -0.0395 979 MET 90 HG2 -0.0077 0.0225 -0.0080 980 MET 90 HG3 -0.0222 0.0327 -0.0117 981 MET 90 HE1 -0.0008 0.0193 0.0085 982 MET 90 HE2 -0.0012 0.0187 0.0006 983 MET 90 HE3 -0.0153 0.0293 0.0032 984 GLY 91 N -0.0030 0.0131 -0.0449 985 GLY 91 CA -0.0101 -0.0070 -0.0207 986 GLY 91 C -0.0123 -0.0120 -0.0152 987 GLY 91 O -0.0324 -0.0271 -0.0180 988 GLY 91 H -0.0135 0.0146 -0.0624 989 GLY 91 HA2 0.0036 -0.0057 -0.0033 990 GLY 91 HA3 -0.0277 -0.0197 -0.0240 991 SER 92 N -0.0019 -0.0382 0.0273 992 SER 92 CA 0.0054 -0.0336 0.0260 993 SER 92 C 0.0230 -0.0435 0.0417 994 SER 92 O 0.0410 -0.0412 0.0467 995 SER 92 CB 0.0143 -0.0132 0.0116 996 SER 92 OG -0.0026 -0.0042 -0.0028 997 SER 92 H 0.0091 -0.0349 0.0287 998 SER 92 HA -0.0090 -0.0375 0.0239 999 SER 92 HB2 0.0288 -0.0090 0.0136 1000 SER 92 HB3 0.0190 -0.0095 0.0102 1001 SER 92 HG -0.0142 -0.0134 0.0007 1002 TYR 93 N 0.0011 0.0065 -0.0221 1003 TYR 93 CA 0.0013 0.0063 -0.0205 1004 TYR 93 C -0.0025 0.0083 -0.0274 1005 TYR 93 O -0.0066 0.0103 -0.0319 1006 TYR 93 CB -0.0030 0.0076 -0.0124 1007 TYR 93 CG -0.0023 0.0071 -0.0093 1008 TYR 93 CD1 0.0035 0.0044 -0.0044 1009 TYR 93 CD2 -0.0075 0.0093 -0.0111 1010 TYR 93 CE1 0.0042 0.0039 -0.0015 1011 TYR 93 CE2 -0.0068 0.0089 -0.0082 1012 TYR 93 CZ -0.0010 0.0062 -0.0034 1013 TYR 93 OH -0.0003 0.0057 -0.0006 1014 TYR 93 H -0.0038 0.0085 -0.0221 1015 TYR 93 HA 0.0070 0.0040 -0.0201 1016 TYR 93 HB2 -0.0009 0.0064 -0.0079 1017 TYR 93 HB3 -0.0088 0.0100 -0.0132 1018 TYR 93 HD1 0.0076 0.0027 -0.0029 1019 TYR 93 HD2 -0.0121 0.0114 -0.0149 1020 TYR 93 HE1 0.0088 0.0018 0.0023 1021 TYR 93 HE2 -0.0109 0.0106 -0.0097 1022 TYR 93 HH -0.0008 0.0062 -0.0051 1023 VAL 94 N -0.0053 -0.0003 0.0294 1024 VAL 94 CA -0.0032 0.0081 0.0186 1025 VAL 94 C -0.0083 0.0199 0.0201 1026 VAL 94 O -0.0092 0.0199 0.0219 1027 VAL 94 CB 0.0039 0.0024 0.0082 1028 VAL 94 CG1 0.0046 -0.0025 0.0105 1029 VAL 94 CG2 0.0059 0.0114 -0.0028 1030 VAL 94 H -0.0025 -0.0081 0.0296 1031 VAL 94 HA -0.0033 0.0105 0.0169 1032 VAL 94 HB 0.0072 -0.0050 0.0071 1033 VAL 94 HG11 0.0096 -0.0063 0.0031 1034 VAL 94 HG12 0.0013 0.0047 0.0120 1035 VAL 94 HG13 0.0036 -0.0093 0.0179 1036 VAL 94 HG21 0.0026 0.0192 -0.0018 1037 VAL 94 HG22 0.0108 0.0073 -0.0098 1038 VAL 94 HG23 0.0059 0.0141 -0.0047