1 MET 1 N 0.0249 0.0058 0.0133 2 MET 1 CA 0.0172 -0.0018 0.0101 3 MET 1 C 0.0073 0.0047 0.0079 4 MET 1 O 0.0080 0.0138 0.0091 5 MET 1 CB 0.0205 -0.0087 0.0103 6 MET 1 CG 0.0194 -0.0034 0.0106 7 MET 1 SD 0.0255 -0.0124 0.0114 8 MET 1 CE 0.0238 -0.0045 0.0118 9 GLN 2 N -0.0055 0.0002 0.0128 10 GLN 2 CA -0.0150 0.0053 0.0103 11 GLN 2 C -0.0132 -0.0004 0.0123 12 GLN 2 O -0.0108 -0.0115 0.0161 13 GLN 2 CB -0.0281 0.0035 0.0098 14 GLN 2 CG -0.0392 0.0052 0.0082 15 GLN 2 CD -0.0517 0.0035 0.0077 16 GLN 2 OE1 -0.0583 0.0122 0.0043 17 GLN 2 NE2 -0.0546 -0.0079 0.0112 18 ILE 3 N -0.0120 0.0082 0.0065 19 ILE 3 CA -0.0112 0.0064 0.0075 20 ILE 3 C -0.0160 0.0092 0.0055 21 ILE 3 O -0.0183 0.0130 0.0034 22 ILE 3 CB -0.0049 0.0074 0.0078 23 ILE 3 CG1 -0.0030 0.0136 0.0051 24 ILE 3 CG2 -0.0004 0.0038 0.0101 25 ILE 3 CD1 0.0024 0.0149 0.0052 26 PHE 4 N -0.0101 0.0125 0.0070 27 PHE 4 CA -0.0145 0.0161 0.0013 28 PHE 4 C -0.0083 0.0217 -0.0001 29 PHE 4 O -0.0026 0.0200 0.0047 30 PHE 4 CB -0.0203 0.0106 0.0028 31 PHE 4 CG -0.0267 0.0049 0.0042 32 PHE 4 CD1 -0.0256 -0.0014 0.0105 33 PHE 4 CD2 -0.0335 0.0065 -0.0012 34 PHE 4 CE1 -0.0314 -0.0065 0.0117 35 PHE 4 CE2 -0.0392 0.0015 0.0000 36 PHE 4 CZ -0.0381 -0.0050 0.0064 37 VAL 5 N -0.0004 0.0197 0.0010 38 VAL 5 CA 0.0024 0.0191 0.0003 39 VAL 5 C 0.0054 0.0191 0.0003 40 VAL 5 O 0.0052 0.0177 -0.0015 41 VAL 5 CB 0.0020 0.0171 -0.0024 42 VAL 5 CG1 0.0051 0.0167 -0.0029 43 VAL 5 CG2 -0.0011 0.0171 -0.0024 44 LYS 6 N 0.0108 0.0170 0.0010 45 LYS 6 CA 0.0131 0.0173 0.0004 46 LYS 6 C 0.0123 0.0164 0.0010 47 LYS 6 O 0.0103 0.0172 0.0010 48 LYS 6 CB 0.0136 0.0199 -0.0009 49 LYS 6 CG 0.0159 0.0206 -0.0017 50 LYS 6 CD 0.0162 0.0234 -0.0030 51 LYS 6 CE 0.0186 0.0242 -0.0039 52 LYS 6 NZ 0.0185 0.0269 -0.0051 53 THR 7 N 0.0184 0.0180 0.0061 54 THR 7 CA 0.0159 0.0168 0.0080 55 THR 7 C 0.0132 0.0150 0.0089 56 THR 7 O 0.0135 0.0151 0.0086 57 THR 7 CB 0.0163 0.0190 0.0113 58 THR 7 OG1 0.0158 0.0198 0.0136 59 THR 7 CG2 0.0194 0.0214 0.0108 60 LEU 8 N 0.0022 0.0185 0.0122 61 LEU 8 CA -0.0079 0.0129 0.0132 62 LEU 8 C -0.0196 0.0176 0.0150 63 LEU 8 O -0.0288 0.0127 0.0160 64 LEU 8 CB -0.0061 0.0139 0.0130 65 LEU 8 CG 0.0039 0.0068 0.0113 66 LEU 8 CD1 0.0029 0.0061 0.0114 67 LEU 8 CD2 0.0040 -0.0058 0.0106 68 THR 9 N -0.0301 0.0359 0.0168 69 THR 9 CA -0.0447 0.0407 0.0176 70 THR 9 C -0.0380 0.0283 0.0101 71 THR 9 O -0.0437 0.0328 0.0122 72 THR 9 CB -0.0433 0.0619 0.0327 73 THR 9 OG1 -0.0202 0.0616 0.0367 74 THR 9 CG2 -0.0470 0.0743 0.0408 75 GLY 10 N -0.0054 0.0191 0.0041 76 GLY 10 CA 0.0133 0.0175 -0.0078 77 GLY 10 C 0.0341 0.0175 0.0024 78 GLY 10 O 0.0508 0.0165 -0.0040 79 LYS 11 N 0.0387 0.0114 0.0208 80 LYS 11 CA 0.0428 0.0098 0.0238 81 LYS 11 C 0.0367 0.0141 0.0171 82 LYS 11 O 0.0267 0.0136 0.0147 83 LYS 11 CB 0.0401 0.0015 0.0327 84 LYS 11 CG 0.0447 0.0002 0.0355 85 LYS 11 CD 0.0416 -0.0082 0.0445 86 LYS 11 CE 0.0497 -0.0109 0.0499 87 LYS 11 NZ 0.0527 -0.0063 0.0455 88 THR 12 N 0.0247 0.0128 0.0084 89 THR 12 CA 0.0199 0.0155 0.0058 90 THR 12 C 0.0175 0.0137 0.0048 91 THR 12 O 0.0202 0.0142 0.0060 92 THR 12 CB 0.0203 0.0219 0.0052 93 THR 12 OG1 0.0223 0.0233 0.0060 94 THR 12 CG2 0.0152 0.0244 0.0024 95 ILE 13 N 0.0090 0.0154 0.0014 96 ILE 13 CA 0.0032 0.0138 -0.0033 97 ILE 13 C -0.0033 0.0180 -0.0027 98 ILE 13 O -0.0034 0.0203 -0.0006 99 ILE 13 CB 0.0044 0.0077 -0.0085 100 ILE 13 CG1 -0.0014 0.0068 -0.0125 101 ILE 13 CG2 0.0114 0.0044 -0.0080 102 ILE 13 CD1 0.0003 0.0006 -0.0175 103 THR 14 N -0.0222 0.0227 -0.0056 104 THR 14 CA -0.0239 0.0213 -0.0015 105 THR 14 C -0.0225 0.0226 -0.0054 106 THR 14 O -0.0242 0.0243 -0.0114 107 THR 14 CB -0.0317 0.0200 0.0003 108 THR 14 OG1 -0.0347 0.0218 -0.0064 109 THR 14 CG2 -0.0335 0.0191 0.0029 110 LEU 15 N -0.0141 0.0167 0.0077 111 LEU 15 CA -0.0145 0.0165 0.0040 112 LEU 15 C -0.0163 0.0187 0.0030 113 LEU 15 O -0.0165 0.0193 0.0051 114 LEU 15 CB -0.0125 0.0137 0.0030 115 LEU 15 CG -0.0110 0.0113 0.0008 116 LEU 15 CD1 -0.0108 0.0111 0.0009 117 LEU 15 CD2 -0.0089 0.0087 0.0019 118 GLU 16 N -0.0115 0.0293 0.0039 119 GLU 16 CA -0.0034 0.0270 0.0010 120 GLU 16 C 0.0088 0.0261 -0.0039 121 GLU 16 O 0.0118 0.0346 -0.0065 122 GLU 16 CB -0.0047 0.0372 -0.0002 123 GLU 16 CG -0.0161 0.0365 0.0046 124 GLU 16 CD -0.0172 0.0445 0.0037 125 GLU 16 OE1 -0.0214 0.0405 0.0061 126 GLU 16 OE2 -0.0138 0.0554 0.0005 127 VAL 17 N 0.0123 0.0211 0.0067 128 VAL 17 CA 0.0168 0.0192 0.0039 129 VAL 17 C 0.0224 0.0157 0.0001 130 VAL 17 O 0.0224 0.0140 -0.0004 131 VAL 17 CB 0.0129 0.0140 0.0041 132 VAL 17 CG1 0.0076 0.0168 0.0077 133 VAL 17 CG2 0.0103 0.0072 0.0032 134 GLU 18 N 0.0325 0.0151 0.0051 135 GLU 18 CA 0.0403 0.0113 -0.0062 136 GLU 18 C 0.0300 0.0043 -0.0129 137 GLU 18 O 0.0204 0.0045 -0.0071 138 GLU 18 CB 0.0507 0.0163 -0.0030 139 GLU 18 CG 0.0633 0.0230 0.0017 140 GLU 18 CD 0.0714 0.0212 -0.0061 141 GLU 18 OE1 0.0717 0.0151 -0.0171 142 GLU 18 OE2 0.0792 0.0271 0.0001 143 PRO 19 N 0.0306 0.0043 -0.0126 144 PRO 19 CA 0.0270 0.0037 -0.0149 145 PRO 19 C 0.0254 0.0043 -0.0126 146 PRO 19 O 0.0217 0.0041 -0.0133 147 PRO 19 CB 0.0291 0.0026 -0.0192 148 PRO 19 CG 0.0325 0.0025 -0.0198 149 PRO 19 CD 0.0345 0.0036 -0.0153 150 SER 20 N 0.0308 0.0068 -0.0171 151 SER 20 CA 0.0294 0.0059 -0.0171 152 SER 20 C 0.0234 0.0058 -0.0078 153 SER 20 O 0.0216 0.0050 -0.0068 154 SER 20 CB 0.0382 0.0110 -0.0182 155 SER 20 OG 0.0443 0.0168 -0.0131 156 ASP 21 N 0.0208 0.0042 -0.0059 157 ASP 21 CA 0.0176 0.0047 -0.0011 158 ASP 21 C 0.0123 0.0023 -0.0020 159 ASP 21 O 0.0104 0.0004 -0.0055 160 ASP 21 CB 0.0176 0.0058 0.0021 161 ASP 21 CG 0.0222 0.0085 0.0047 162 ASP 21 OD1 0.0246 0.0096 0.0053 163 ASP 21 OD2 0.0238 0.0095 0.0057 164 THR 22 N 0.0126 -0.0016 0.0030 165 THR 22 CA 0.0063 -0.0038 0.0027 166 THR 22 C 0.0025 -0.0040 0.0057 167 THR 22 O 0.0048 -0.0020 0.0091 168 THR 22 CB 0.0047 -0.0031 0.0061 169 THR 22 OG1 0.0059 -0.0005 0.0123 170 THR 22 CG2 0.0084 -0.0028 0.0034 171 ILE 23 N -0.0009 -0.0031 0.0040 172 ILE 23 CA -0.0031 -0.0036 0.0060 173 ILE 23 C -0.0036 -0.0030 0.0103 174 ILE 23 O -0.0037 -0.0026 0.0128 175 ILE 23 CB -0.0067 -0.0055 0.0041 176 ILE 23 CG1 -0.0057 -0.0059 -0.0002 177 ILE 23 CG2 -0.0089 -0.0060 0.0065 178 ILE 23 CD1 -0.0033 -0.0050 -0.0008 179 GLU 24 N -0.0084 -0.0006 0.0126 180 GLU 24 CA -0.0093 0.0021 0.0190 181 GLU 24 C -0.0036 -0.0027 0.0199 182 GLU 24 O -0.0047 -0.0015 0.0207 183 GLU 24 CB -0.0092 0.0046 0.0279 184 GLU 24 CG -0.0111 0.0086 0.0354 185 GLU 24 CD -0.0100 0.0101 0.0437 186 GLU 24 OE1 -0.0044 0.0067 0.0482 187 GLU 24 OE2 -0.0157 0.0155 0.0451 188 ASN 25 N -0.0005 -0.0032 0.0162 189 ASN 25 CA 0.0026 -0.0034 0.0171 190 ASN 25 C 0.0002 -0.0046 0.0148 191 ASN 25 O 0.0001 -0.0031 0.0165 192 ASN 25 CB 0.0079 -0.0056 0.0166 193 ASN 25 CG 0.0107 -0.0057 0.0175 194 ASN 25 OD1 0.0108 -0.0030 0.0208 195 ASN 25 ND2 0.0130 -0.0088 0.0147 196 VAL 26 N -0.0033 -0.0007 0.0109 197 VAL 26 CA -0.0027 -0.0010 0.0083 198 VAL 26 C -0.0032 -0.0002 0.0078 199 VAL 26 O -0.0023 -0.0012 0.0068 200 VAL 26 CB -0.0031 -0.0001 0.0064 201 VAL 26 CG1 -0.0027 -0.0000 0.0037 202 VAL 26 CG2 -0.0023 -0.0012 0.0067 203 LYS 27 N -0.0033 -0.0018 0.0052 204 LYS 27 CA -0.0037 -0.0009 0.0046 205 LYS 27 C -0.0040 -0.0002 0.0040 206 LYS 27 O -0.0047 0.0002 0.0034 207 LYS 27 CB -0.0028 -0.0003 0.0047 208 LYS 27 CG -0.0027 -0.0010 0.0051 209 LYS 27 CD -0.0020 -0.0004 0.0052 210 LYS 27 CE -0.0019 -0.0010 0.0055 211 LYS 27 NZ -0.0011 -0.0003 0.0056 212 ALA 28 N -0.0067 -0.0052 0.0119 213 ALA 28 CA -0.0075 -0.0100 0.0103 214 ALA 28 C -0.0084 -0.0173 0.0056 215 ALA 28 O -0.0083 -0.0199 0.0001 216 ALA 28 CB -0.0088 -0.0122 0.0180 217 LYS 29 N -0.0184 -0.0092 0.0062 218 LYS 29 CA -0.0138 -0.0095 0.0055 219 LYS 29 C -0.0133 -0.0093 0.0049 220 LYS 29 O -0.0102 -0.0102 0.0063 221 LYS 29 CB -0.0119 -0.0082 0.0017 222 LYS 29 CG -0.0121 -0.0084 0.0021 223 LYS 29 CD -0.0109 -0.0069 -0.0020 224 LYS 29 CE -0.0087 -0.0074 -0.0016 225 LYS 29 NZ -0.0039 -0.0079 -0.0014 226 ILE 30 N -0.0077 -0.0115 -0.0055 227 ILE 30 CA -0.0019 -0.0093 -0.0115 228 ILE 30 C 0.0004 -0.0122 -0.0165 229 ILE 30 O 0.0039 -0.0145 -0.0226 230 ILE 30 CB 0.0014 -0.0008 -0.0101 231 ILE 30 CG1 -0.0002 0.0021 -0.0061 232 ILE 30 CG2 0.0076 0.0018 -0.0164 233 ILE 30 CD1 0.0022 0.0107 -0.0034 234 GLN 31 N 0.0003 -0.0125 -0.0143 235 GLN 31 CA 0.0029 -0.0149 -0.0210 236 GLN 31 C 0.0013 -0.0293 -0.0255 237 GLN 31 O 0.0051 -0.0339 -0.0358 238 GLN 31 CB 0.0000 -0.0115 -0.0131 239 GLN 31 CG 0.0027 -0.0149 -0.0203 240 GLN 31 CD 0.0005 -0.0097 -0.0130 241 GLN 31 OE1 -0.0049 -0.0100 -0.0022 242 GLN 31 NE2 0.0045 -0.0049 -0.0186 243 ASP 32 N 0.0009 -0.0390 -0.0231 244 ASP 32 CA -0.0106 -0.0578 -0.0316 245 ASP 32 C -0.0064 -0.0619 -0.0416 246 ASP 32 O -0.0064 -0.0749 -0.0571 247 ASP 32 CB -0.0291 -0.0635 -0.0161 248 ASP 32 CG -0.0397 -0.0824 -0.0259 249 ASP 32 OD1 -0.0361 -0.0849 -0.0332 250 ASP 32 OD2 -0.0494 -0.0928 -0.0266 251 LYS 33 N -0.0104 -0.0505 -0.0431 252 LYS 33 CA -0.0030 -0.0491 -0.0439 253 LYS 33 C 0.0141 -0.0477 -0.0468 254 LYS 33 O 0.0204 -0.0523 -0.0510 255 LYS 33 CB -0.0104 -0.0394 -0.0362 256 LYS 33 CG -0.0071 -0.0248 -0.0277 257 LYS 33 CD -0.0055 -0.0185 -0.0241 258 LYS 33 CE -0.0203 -0.0211 -0.0225 259 LYS 33 NZ -0.0166 -0.0179 -0.0213 260 GLU 34 N 0.0121 -0.0356 -0.0525 261 GLU 34 CA 0.0247 -0.0342 -0.0549 262 GLU 34 C 0.0344 -0.0368 -0.0636 263 GLU 34 O 0.0454 -0.0362 -0.0667 264 GLU 34 CB 0.0314 -0.0265 -0.0432 265 GLU 34 CG 0.0234 -0.0231 -0.0336 266 GLU 34 CD 0.0241 -0.0244 -0.0365 267 GLU 34 OE1 0.0342 -0.0248 -0.0412 268 GLU 34 OE2 0.0133 -0.0251 -0.0335 269 GLY 35 N 0.0257 -0.0385 -0.0514 270 GLY 35 CA 0.0206 -0.0369 -0.0459 271 GLY 35 C 0.0131 -0.0152 -0.0450 272 GLY 35 O 0.0088 -0.0133 -0.0407 273 ILE 36 N 0.0037 -0.0024 -0.0292 274 ILE 36 CA 0.0082 0.0047 -0.0268 275 ILE 36 C 0.0068 0.0062 -0.0211 276 ILE 36 O 0.0027 0.0044 -0.0151 277 ILE 36 CB 0.0092 0.0082 -0.0232 278 ILE 36 CG1 0.0102 0.0061 -0.0289 279 ILE 36 CG2 0.0139 0.0157 -0.0205 280 ILE 36 CD1 0.0093 0.0075 -0.0245 281 PRO 37 N -0.0035 0.0231 -0.0189 282 PRO 37 CA 0.0017 0.0261 -0.0143 283 PRO 37 C 0.0046 0.0222 -0.0116 284 PRO 37 O 0.0022 0.0208 -0.0137 285 PRO 37 CB 0.0004 0.0336 -0.0157 286 PRO 37 CG -0.0046 0.0351 -0.0202 287 PRO 37 CD -0.0077 0.0283 -0.0228 288 PRO 38 N 0.0020 0.0151 -0.0096 289 PRO 38 CA 0.0037 0.0134 -0.0065 290 PRO 38 C 0.0046 0.0172 -0.0063 291 PRO 38 O 0.0048 0.0159 -0.0055 292 PRO 38 CB 0.0063 0.0122 -0.0022 293 PRO 38 CG 0.0050 0.0107 -0.0037 294 PRO 38 CD 0.0033 0.0149 -0.0075 295 ASP 39 N 0.0130 0.0227 -0.0141 296 ASP 39 CA 0.0161 0.0188 -0.0135 297 ASP 39 C 0.0083 0.0135 -0.0106 298 ASP 39 O 0.0100 0.0075 -0.0091 299 ASP 39 CB 0.0201 0.0265 -0.0166 300 ASP 39 CG 0.0164 0.0265 -0.0159 301 ASP 39 OD1 0.0077 0.0279 -0.0147 302 ASP 39 OD2 0.0221 0.0250 -0.0165 303 GLN 40 N 0.0085 0.0178 -0.0072 304 GLN 40 CA 0.0013 0.0132 -0.0046 305 GLN 40 C 0.0022 0.0082 -0.0074 306 GLN 40 O -0.0031 0.0031 -0.0063 307 GLN 40 CB -0.0036 0.0189 0.0012 308 GLN 40 CG -0.0051 0.0237 0.0043 309 GLN 40 CD -0.0101 0.0294 0.0101 310 GLN 40 OE1 -0.0104 0.0347 0.0127 311 GLN 40 NE2 -0.0135 0.0283 0.0118 312 GLN 41 N 0.0040 0.0089 -0.0088 313 GLN 41 CA 0.0037 0.0075 -0.0084 314 GLN 41 C 0.0048 0.0058 -0.0083 315 GLN 41 O 0.0064 0.0057 -0.0088 316 GLN 41 CB 0.0041 0.0083 -0.0087 317 GLN 41 CG 0.0031 0.0100 -0.0088 318 GLN 41 CD 0.0035 0.0107 -0.0090 319 GLN 41 OE1 0.0040 0.0095 -0.0089 320 GLN 41 NE2 0.0034 0.0124 -0.0094 321 ARG 42 N 0.0020 -0.0009 -0.0081 322 ARG 42 CA 0.0022 -0.0022 -0.0093 323 ARG 42 C 0.0016 0.0016 -0.0082 324 ARG 42 O 0.0017 0.0029 -0.0042 325 ARG 42 CB 0.0030 -0.0064 -0.0072 326 ARG 42 CG 0.0032 -0.0076 -0.0069 327 ARG 42 CD 0.0040 -0.0121 -0.0052 328 ARG 42 NE 0.0043 -0.0132 -0.0045 329 ARG 42 CZ 0.0046 -0.0134 -0.0006 330 ARG 42 NH1 0.0048 -0.0132 0.0031 331 ARG 42 NH2 0.0046 -0.0137 -0.0003 332 LEU 43 N 0.0028 0.0016 -0.0038 333 LEU 43 CA 0.0030 0.0027 -0.0038 334 LEU 43 C 0.0029 0.0028 -0.0041 335 LEU 43 O 0.0025 0.0022 -0.0049 336 LEU 43 CB 0.0029 0.0036 -0.0045 337 LEU 43 CG 0.0030 0.0039 -0.0041 338 LEU 43 CD1 0.0028 0.0045 -0.0051 339 LEU 43 CD2 0.0035 0.0046 -0.0031 340 ILE 44 N 0.0077 0.0058 -0.0044 341 ILE 44 CA 0.0075 0.0080 -0.0047 342 ILE 44 C 0.0076 0.0120 -0.0048 343 ILE 44 O 0.0094 0.0134 -0.0034 344 ILE 44 CB 0.0099 0.0072 -0.0025 345 ILE 44 CG1 0.0103 0.0031 -0.0019 346 ILE 44 CG2 0.0096 0.0091 -0.0029 347 ILE 44 CD1 0.0077 0.0012 -0.0041 348 PHE 45 N 0.0099 0.0115 -0.0011 349 PHE 45 CA 0.0098 0.0111 -0.0009 350 PHE 45 C 0.0096 0.0124 -0.0005 351 PHE 45 O 0.0092 0.0131 0.0003 352 PHE 45 CB 0.0092 0.0101 -0.0001 353 PHE 45 CG 0.0090 0.0097 0.0001 354 PHE 45 CD1 0.0095 0.0089 -0.0006 355 PHE 45 CD2 0.0085 0.0101 0.0011 356 PHE 45 CE1 0.0093 0.0086 -0.0005 357 PHE 45 CE2 0.0083 0.0098 0.0013 358 PHE 45 CZ 0.0087 0.0090 0.0006 359 ALA 46 N 0.0110 0.0211 -0.0084 360 ALA 46 CA 0.0095 0.0267 -0.0099 361 ALA 46 C 0.0063 0.0329 -0.0090 362 ALA 46 O 0.0029 0.0366 -0.0061 363 ALA 46 CB 0.0078 0.0252 -0.0061 364 GLY 47 N 0.0103 0.0278 -0.0078 365 GLY 47 CA 0.0104 0.0256 -0.0077 366 GLY 47 C 0.0047 0.0217 -0.0086 367 GLY 47 O 0.0038 0.0212 -0.0087 368 LYS 48 N 0.0038 0.0126 -0.0099 369 LYS 48 CA -0.0004 0.0097 -0.0102 370 LYS 48 C 0.0008 0.0052 -0.0083 371 LYS 48 O 0.0036 0.0051 -0.0075 372 LYS 48 CB -0.0036 0.0114 -0.0117 373 LYS 48 CG -0.0051 0.0160 -0.0136 374 LYS 48 CD -0.0079 0.0172 -0.0149 375 LYS 48 CE -0.0055 0.0210 -0.0154 376 LYS 48 NZ -0.0047 0.0248 -0.0165 377 GLN 49 N -0.0013 0.0031 -0.0092 378 GLN 49 CA -0.0008 -0.0022 -0.0096 379 GLN 49 C -0.0058 -0.0032 -0.0106 380 GLN 49 O -0.0097 -0.0019 -0.0113 381 GLN 49 CB 0.0002 -0.0059 -0.0097 382 GLN 49 CG 0.0013 -0.0111 -0.0098 383 GLN 49 CD 0.0025 -0.0147 -0.0099 384 GLN 49 OE1 -0.0001 -0.0184 -0.0107 385 GLN 49 NE2 0.0065 -0.0135 -0.0090 386 LEU 50 N -0.0053 -0.0037 -0.0046 387 LEU 50 CA -0.0070 -0.0038 -0.0051 388 LEU 50 C -0.0100 -0.0075 -0.0039 389 LEU 50 O -0.0090 -0.0103 -0.0018 390 LEU 50 CB -0.0034 -0.0030 -0.0043 391 LEU 50 CG -0.0002 0.0005 -0.0053 392 LEU 50 CD1 0.0029 0.0013 -0.0046 393 LEU 50 CD2 -0.0021 0.0040 -0.0082 394 GLU 51 N -0.0140 -0.0123 -0.0047 395 GLU 51 CA -0.0271 -0.0266 -0.0005 396 GLU 51 C -0.0215 -0.0261 0.0042 397 GLU 51 O -0.0148 -0.0136 -0.0039 398 GLU 51 CB -0.0443 -0.0272 -0.0161 399 GLU 51 CG -0.0598 -0.0401 -0.0160 400 GLU 51 CD -0.0768 -0.0466 -0.0245 401 GLU 51 OE1 -0.0913 -0.0556 -0.0278 402 GLU 51 OE2 -0.0729 -0.0409 -0.0274 403 ASP 52 N -0.0262 -0.0116 0.0063 404 ASP 52 CA -0.0214 -0.0085 0.0102 405 ASP 52 C -0.0145 -0.0089 0.0097 406 ASP 52 O -0.0099 -0.0076 0.0112 407 ASP 52 CB -0.0242 -0.0043 0.0154 408 ASP 52 CG -0.0290 -0.0027 0.0174 409 ASP 52 OD1 -0.0318 0.0006 0.0214 410 ASP 52 OD2 -0.0301 -0.0046 0.0150 411 GLY 53 N -0.0222 -0.0161 0.0008 412 GLY 53 CA -0.0159 -0.0143 -0.0048 413 GLY 53 C -0.0104 -0.0139 -0.0138 414 GLY 53 O -0.0040 -0.0118 -0.0182 415 ARG 54 N -0.0106 -0.0202 -0.0182 416 ARG 54 CA -0.0077 -0.0136 -0.0240 417 ARG 54 C -0.0027 -0.0018 -0.0183 418 ARG 54 O -0.0021 0.0000 -0.0082 419 ARG 54 CB -0.0100 -0.0190 -0.0220 420 ARG 54 CG -0.0153 -0.0314 -0.0264 421 ARG 54 CD -0.0148 -0.0309 -0.0408 422 ARG 54 NE -0.0171 -0.0364 -0.0444 423 ARG 54 CZ -0.0159 -0.0339 -0.0514 424 ARG 54 NH1 -0.0117 -0.0244 -0.0577 425 ARG 54 NH2 -0.0191 -0.0413 -0.0520 426 THR 55 N -0.0002 -0.0073 -0.0190 427 THR 55 CA 0.0038 -0.0016 -0.0167 428 THR 55 C 0.0044 -0.0009 -0.0153 429 THR 55 O 0.0020 -0.0042 -0.0173 430 THR 55 CB 0.0065 0.0027 -0.0222 431 THR 55 OG1 0.0054 0.0014 -0.0279 432 THR 55 CG2 0.0063 0.0025 -0.0245 433 LEU 56 N 0.0072 -0.0012 -0.0101 434 LEU 56 CA 0.0078 -0.0004 -0.0095 435 LEU 56 C 0.0081 0.0001 -0.0132 436 LEU 56 O 0.0073 -0.0009 -0.0138 437 LEU 56 CB 0.0099 0.0022 -0.0070 438 LEU 56 CG 0.0098 0.0020 -0.0032 439 LEU 56 CD1 0.0121 0.0048 -0.0011 440 LEU 56 CD2 0.0081 -0.0003 -0.0009 441 SER 57 N 0.0070 0.0060 -0.0185 442 SER 57 CA 0.0067 0.0085 -0.0240 443 SER 57 C 0.0048 0.0014 -0.0269 444 SER 57 O 0.0047 0.0022 -0.0284 445 SER 57 CB 0.0067 0.0135 -0.0313 446 SER 57 OG 0.0051 0.0092 -0.0358 447 ASP 58 N -0.0003 0.0038 -0.0266 448 ASP 58 CA 0.0010 -0.0050 -0.0282 449 ASP 58 C 0.0026 -0.0074 -0.0194 450 ASP 58 O 0.0033 -0.0117 -0.0198 451 ASP 58 CB 0.0020 -0.0134 -0.0317 452 ASP 58 CG 0.0006 -0.0132 -0.0418 453 ASP 58 OD1 0.0012 -0.0180 -0.0440 454 ASP 58 OD2 -0.0010 -0.0081 -0.0474 455 TYR 59 N -0.0022 -0.0021 -0.0085 456 TYR 59 CA -0.0013 -0.0018 -0.0075 457 TYR 59 C 0.0000 0.0006 -0.0077 458 TYR 59 O 0.0010 0.0010 -0.0069 459 TYR 59 CB -0.0005 -0.0032 -0.0053 460 TYR 59 CG -0.0018 -0.0057 -0.0050 461 TYR 59 CD1 -0.0021 -0.0068 -0.0044 462 TYR 59 CD2 -0.0026 -0.0068 -0.0051 463 TYR 59 CE1 -0.0032 -0.0091 -0.0041 464 TYR 59 CE2 -0.0038 -0.0090 -0.0048 465 TYR 59 CZ -0.0041 -0.0102 -0.0043 466 TYR 59 OH -0.0052 -0.0124 -0.0039 467 ASN 60 N 0.0072 -0.0052 0.0050 468 ASN 60 CA -0.0079 0.0061 0.0234 469 ASN 60 C 0.0010 0.0004 0.0140 470 ASN 60 O 0.0083 0.0119 0.0308 471 ASN 60 CB 0.0006 0.0267 0.0538 472 ASN 60 CG -0.0231 0.0391 0.0744 473 ASN 60 OD1 -0.0142 0.0546 0.0970 474 ASN 60 ND2 -0.0547 0.0330 0.0681 475 ILE 61 N 0.0110 -0.0003 0.0147 476 ILE 61 CA 0.0105 -0.0016 0.0114 477 ILE 61 C 0.0096 -0.0050 0.0118 478 ILE 61 O 0.0094 -0.0061 0.0135 479 ILE 61 CB 0.0108 -0.0004 0.0100 480 ILE 61 CG1 0.0117 0.0031 0.0093 481 ILE 61 CG2 0.0103 -0.0021 0.0069 482 ILE 61 CD1 0.0120 0.0044 0.0080 483 GLN 62 N 0.0103 -0.0176 0.0273 484 GLN 62 CA -0.0018 -0.0214 0.0293 485 GLN 62 C -0.0035 -0.0261 0.0199 486 GLN 62 O 0.0050 -0.0257 0.0130 487 GLN 62 CB -0.0043 -0.0173 0.0412 488 GLN 62 CG -0.0074 -0.0141 0.0514 489 GLN 62 CD -0.0133 -0.0121 0.0615 490 GLN 62 OE1 -0.0127 -0.0075 0.0717 491 GLN 62 NE2 -0.0195 -0.0156 0.0589 492 LYS 63 N 0.0273 -0.0346 0.0498 493 LYS 63 CA 0.0125 -0.0383 0.0309 494 LYS 63 C -0.0137 -0.0405 -0.0018 495 LYS 63 O -0.0187 -0.0555 -0.0111 496 LYS 63 CB 0.0218 -0.0720 0.0353 497 LYS 63 CG 0.0278 -0.1097 0.0348 498 LYS 63 CD 0.0305 -0.1421 0.0314 499 LYS 63 CE 0.0465 -0.1781 0.0435 500 LYS 63 NZ 0.0335 -0.1976 0.0235 501 GLU 64 N -0.0046 -0.0337 0.0253 502 GLU 64 CA -0.0195 -0.0331 0.0122 503 GLU 64 C -0.0150 -0.0243 0.0111 504 GLU 64 O -0.0271 -0.0263 0.0019 505 GLU 64 CB -0.0348 -0.0550 0.0113 506 GLU 64 CG -0.0450 -0.0584 0.0045 507 GLU 64 CD -0.0454 -0.0788 0.0155 508 GLU 64 OE1 -0.0471 -0.0948 0.0230 509 GLU 64 OE2 -0.0437 -0.0772 0.0161 510 SER 65 N -0.0061 -0.0096 0.0094 511 SER 65 CA -0.0061 -0.0063 0.0089 512 SER 65 C -0.0101 0.0001 0.0051 513 SER 65 O -0.0109 0.0031 0.0041 514 SER 65 CB 0.0003 -0.0031 0.0129 515 SER 65 OG 0.0040 -0.0089 0.0163 516 THR 66 N -0.0034 0.0123 0.0071 517 THR 66 CA -0.0018 0.0129 0.0039 518 THR 66 C 0.0017 0.0142 0.0037 519 THR 66 O 0.0035 0.0148 0.0063 520 THR 66 CB -0.0016 0.0130 0.0039 521 THR 66 OG1 -0.0051 0.0118 0.0040 522 THR 66 CG2 0.0002 0.0137 0.0005 523 LEU 67 N 0.0049 0.0147 0.0009 524 LEU 67 CA 0.0061 0.0152 0.0007 525 LEU 67 C 0.0071 0.0154 -0.0003 526 LEU 67 O 0.0066 0.0149 -0.0012 527 LEU 67 CB 0.0059 0.0149 0.0001 528 LEU 67 CG 0.0046 0.0145 0.0006 529 LEU 67 CD1 0.0046 0.0143 -0.0001 530 LEU 67 CD2 0.0044 0.0148 0.0022 531 HIS 68 N 0.0076 0.0157 -0.0019 532 HIS 68 CA 0.0099 0.0141 -0.0009 533 HIS 68 C 0.0091 0.0112 -0.0016 534 HIS 68 O 0.0074 0.0105 -0.0026 535 HIS 68 CB 0.0108 0.0147 -0.0003 536 HIS 68 CG 0.0117 0.0175 0.0004 537 HIS 68 ND1 0.0140 0.0181 0.0017 538 HIS 68 CD2 0.0106 0.0199 0.0001 539 HIS 68 CE1 0.0142 0.0207 0.0021 540 HIS 68 NE2 0.0121 0.0219 0.0011 541 LEU 69 N 0.0085 0.0127 -0.0015 542 LEU 69 CA 0.0086 0.0112 -0.0024 543 LEU 69 C 0.0094 0.0093 -0.0012 544 LEU 69 O 0.0100 0.0096 0.0007 545 LEU 69 CB 0.0083 0.0122 -0.0026 546 LEU 69 CG 0.0084 0.0107 -0.0033 547 LEU 69 CD1 0.0080 0.0098 -0.0055 548 LEU 69 CD2 0.0082 0.0118 -0.0032 549 VAL 70 N 0.0027 0.0064 -0.0011 550 VAL 70 CA 0.0020 0.0028 0.0016 551 VAL 70 C 0.0017 0.0016 0.0012 552 VAL 70 O 0.0016 0.0019 -0.0022 553 VAL 70 CB 0.0012 -0.0004 0.0003 554 VAL 70 CG1 0.0004 -0.0042 0.0029 555 VAL 70 CG2 0.0015 0.0010 0.0002 556 LEU 71 N -0.0031 -0.0017 0.0011 557 LEU 71 CA -0.0039 -0.0017 0.0040 558 LEU 71 C -0.0084 -0.0073 0.0038 559 LEU 71 O -0.0116 -0.0108 0.0054 560 LEU 71 CB -0.0034 0.0016 0.0111 561 LEU 71 CG 0.0009 0.0069 0.0113 562 LEU 71 CD1 0.0043 0.0090 0.0051 563 LEU 71 CD2 0.0022 0.0107 0.0174 564 ARG 72 N -0.0179 -0.0153 0.0120 565 ARG 72 CA -0.0210 -0.0228 0.0114 566 ARG 72 C -0.0221 -0.0170 0.0164 567 ARG 72 O -0.0164 -0.0124 0.0120 568 ARG 72 CB -0.0156 -0.0271 0.0019 569 ARG 72 CG -0.0149 -0.0275 0.0007 570 ARG 72 CD -0.0078 -0.0274 -0.0084 571 ARG 72 NE -0.0026 -0.0223 -0.0119 572 ARG 72 CZ 0.0029 -0.0251 -0.0207 573 ARG 72 NH1 0.0028 -0.0327 -0.0252 574 ARG 72 NH2 0.0083 -0.0196 -0.0242 575 LEU 73 N -0.0408 -0.0239 0.0399 576 LEU 73 CA -0.0429 -0.0122 0.0514 577 LEU 73 C -0.0484 -0.0128 0.0527 578 LEU 73 O -0.0558 -0.0222 0.0469 579 LEU 73 CB -0.0528 -0.0080 0.0588 580 LEU 73 CG -0.0455 -0.0003 0.0632 581 LEU 73 CD1 -0.0316 -0.0038 0.0549 582 LEU 73 CD2 -0.0570 -0.0012 0.0664 583 ARG 74 N -0.0885 -0.0245 0.0763 584 ARG 74 CA -0.0757 -0.0347 0.0650 585 ARG 74 C -0.0950 -0.0296 0.0824 586 ARG 74 O -0.0985 -0.0004 0.0844 587 ARG 74 CB -0.0514 -0.0138 0.0419 588 ARG 74 CG -0.0295 -0.0335 0.0227 589 ARG 74 CD -0.0036 -0.0185 -0.0016 590 ARG 74 NE 0.0032 0.0070 -0.0089 591 ARG 74 CZ -0.0009 0.0415 -0.0066 592 ARG 74 NH1 -0.0098 0.0546 0.0009 593 ARG 74 NH2 0.0027 0.0630 -0.0109 594 GLY 75 N -0.0327 0.0359 0.0799 595 GLY 75 CA 0.1691 0.0334 -0.0910 596 GLY 75 C 0.2083 0.0553 -0.0177 597 GLY 75 O 0.0137 0.0254 -0.0070 598 GLY 76 N 0.0548 -0.0319 0.0871 599 GLY 76 CA 0.0126 -0.0413 0.0253 600 GLY 76 C -0.0111 0.0092 0.0138 601 GLY 76 O -0.0301 -0.0130 -0.0216 602 GLY 76 OXT -0.0089 0.0672 0.0411