1 ASP 28 N -0.0185 -0.0192 -0.0214 2 ASP 28 CA -0.0031 -0.0059 -0.0003 3 ASP 28 C 0.0247 -0.0196 0.0152 4 ASP 28 O 0.0343 -0.0461 0.0074 5 ASP 28 CB -0.0067 -0.0095 -0.0056 6 ASP 28 CG 0.0084 0.0038 0.0154 7 ASP 28 OD1 0.0028 0.0306 0.0267 8 ASP 28 OD2 0.0251 -0.0118 0.0202 9 ASP 28 H -0.0377 -0.0105 -0.0326 10 ASP 28 HA -0.0095 0.0166 0.0079 11 ASP 28 HB2 -0.0266 0.0004 -0.0165 12 ASP 28 HB3 -0.0008 -0.0322 -0.0142 13 PRO 29 N 0.0697 0.0350 0.0050 14 PRO 29 CA 0.0386 0.0331 0.0011 15 PRO 29 C 0.0147 0.0585 0.0061 16 PRO 29 O 0.0108 0.0636 0.0071 17 PRO 29 CB 0.0261 0.0011 -0.0099 18 PRO 29 CG 0.0549 -0.0169 -0.0121 19 PRO 29 CD 0.0774 0.0065 -0.0027 20 PRO 29 HA 0.0414 0.0345 0.0018 21 PRO 29 HB2 0.0075 0.0044 -0.0109 22 PRO 29 HB3 0.0158 -0.0098 -0.0143 23 PRO 29 HG2 0.0476 -0.0330 -0.0177 24 PRO 29 HG3 0.0666 -0.0296 -0.0146 25 PRO 29 HD2 0.0726 0.0101 -0.0021 26 PRO 29 HD3 0.1021 -0.0015 -0.0024 27 ASN 30 N 0.0149 0.0175 0.0513 28 ASN 30 CA 0.0182 0.0183 0.0254 29 ASN 30 C 0.0005 0.0149 0.0018 30 ASN 30 O -0.0217 0.0105 -0.0043 31 ASN 30 CB 0.0136 0.0174 0.0301 32 ASN 30 CG 0.0159 0.0180 0.0041 33 ASN 30 OD1 0.0379 0.0225 -0.0028 34 ASN 30 ND2 -0.0064 0.0136 -0.0097 35 ASN 30 H 0.0313 0.0207 0.0607 36 ASN 30 HA 0.0391 0.0226 0.0193 37 ASN 30 HB2 0.0285 0.0203 0.0452 38 ASN 30 HB3 -0.0064 0.0133 0.0392 39 ASN 30 HD21 -0.0236 0.0101 -0.0028 40 ASN 30 HD22 -0.0052 0.0140 -0.0266 41 ALA 31 N -0.0019 -0.0278 -0.0022 42 ALA 31 CA -0.0034 -0.0236 -0.0073 43 ALA 31 C -0.0015 -0.0290 -0.0146 44 ALA 31 O -0.0015 -0.0291 -0.0216 45 ALA 31 CB -0.0062 -0.0155 -0.0109 46 ALA 31 H -0.0002 -0.0328 -0.0046 47 ALA 31 HA -0.0038 -0.0223 -0.0030 48 ALA 31 HB1 -0.0073 -0.0125 -0.0143 49 ALA 31 HB2 -0.0058 -0.0167 -0.0152 50 ALA 31 HB3 -0.0076 -0.0117 -0.0056 51 GLU 32 N -0.0162 -0.0520 -0.0276 52 GLU 32 CA -0.0074 -0.0280 -0.0156 53 GLU 32 C 0.0002 -0.0214 -0.0078 54 GLU 32 O 0.0120 -0.0053 0.0053 55 GLU 32 CB -0.0227 -0.0063 -0.0248 56 GLU 32 CG -0.0412 -0.0004 -0.0397 57 GLU 32 CD -0.0553 0.0220 -0.0479 58 GLU 32 OE1 -0.0529 0.0447 -0.0417 59 GLU 32 OE2 -0.0688 0.0174 -0.0603 60 GLU 32 H -0.0308 -0.0504 -0.0400 61 GLU 32 HA 0.0047 -0.0315 -0.0058 62 GLU 32 HB2 -0.0154 0.0110 -0.0154 63 GLU 32 HB3 -0.0275 -0.0120 -0.0300 64 GLU 32 HG2 -0.0490 -0.0174 -0.0497 65 GLU 32 HG3 -0.0364 0.0045 -0.0348 66 PHE 33 N -0.0062 0.0133 -0.0096 67 PHE 33 CA -0.0041 0.0156 -0.0078 68 PHE 33 C 0.0019 0.0072 -0.0055 69 PHE 33 O 0.0033 -0.0009 -0.0063 70 PHE 33 CB -0.0124 0.0172 -0.0129 71 PHE 33 CG -0.0178 0.0086 -0.0181 72 PHE 33 CD1 -0.0162 0.0002 -0.0187 73 PHE 33 CD2 -0.0245 0.0089 -0.0224 74 PHE 33 CE1 -0.0211 -0.0076 -0.0234 75 PHE 33 CE2 -0.0294 0.0010 -0.0271 76 PHE 33 CZ -0.0277 -0.0072 -0.0276 77 PHE 33 H -0.0103 0.0084 -0.0132 78 PHE 33 HA -0.0011 0.0225 -0.0045 79 PHE 33 HB2 -0.0107 0.0179 -0.0116 80 PHE 33 HB3 -0.0162 0.0239 -0.0140 81 PHE 33 HD1 -0.0110 -0.0001 -0.0154 82 PHE 33 HD2 -0.0258 0.0153 -0.0220 83 PHE 33 HE1 -0.0197 -0.0141 -0.0238 84 PHE 33 HE2 -0.0346 0.0013 -0.0304 85 PHE 33 HZ -0.0315 -0.0134 -0.0313 86 ASP 34 N 0.0017 0.0159 0.0003 87 ASP 34 CA 0.0034 0.0170 -0.0007 88 ASP 34 C 0.0012 0.0192 0.0009 89 ASP 34 O -0.0004 0.0216 0.0023 90 ASP 34 CB 0.0063 0.0194 -0.0026 91 ASP 34 CG 0.0083 0.0202 -0.0039 92 ASP 34 OD1 0.0075 0.0225 -0.0031 93 ASP 34 OD2 0.0107 0.0184 -0.0058 94 ASP 34 H 0.0014 0.0179 0.0007 95 ASP 34 HA 0.0040 0.0144 -0.0014 96 ASP 34 HB2 0.0076 0.0180 -0.0036 97 ASP 34 HB3 0.0056 0.0220 -0.0019 98 PRO 35 N -0.0178 0.0032 0.0069 99 PRO 35 CA -0.0366 0.0031 0.0059 100 PRO 35 C -0.0277 0.0160 0.0063 101 PRO 35 O -0.0419 0.0162 0.0055 102 PRO 35 CB -0.0411 -0.0253 0.0058 103 PRO 35 CG -0.0155 -0.0371 0.0073 104 PRO 35 CD -0.0035 -0.0213 0.0078 105 PRO 35 HA -0.0542 0.0120 0.0048 106 PRO 35 HB2 -0.0474 -0.0285 0.0054 107 PRO 35 HB3 -0.0553 -0.0323 0.0050 108 PRO 35 HG2 -0.0039 -0.0361 0.0079 109 PRO 35 HG3 -0.0178 -0.0567 0.0072 110 PRO 35 HD2 0.0166 -0.0183 0.0089 111 PRO 35 HD3 -0.0063 -0.0305 0.0077 112 ASP 36 N 0.0381 0.1431 -0.0408 113 ASP 36 CA 0.0204 0.0582 -0.0173 114 ASP 36 C 0.0223 -0.0072 -0.0111 115 ASP 36 O 0.0408 -0.0855 -0.0158 116 ASP 36 CB -0.0518 0.0645 0.0365 117 ASP 36 CG -0.0743 -0.0224 0.0637 118 ASP 36 OD1 -0.0467 -0.0545 0.0467 119 ASP 36 OD2 -0.1209 -0.0601 0.1034 120 ASP 36 H 0.0023 0.1796 -0.0180 121 ASP 36 HA 0.0592 0.0372 -0.0442 122 ASP 36 HB2 -0.0502 0.1090 0.0300 123 ASP 36 HB3 -0.0901 0.0909 0.0623 124 LEU 37 N 0.0011 0.0239 0.0126 125 LEU 37 CA 0.0013 0.0227 0.0119 126 LEU 37 C 0.0019 0.0218 0.0142 127 LEU 37 O 0.0025 0.0207 0.0158 128 LEU 37 CB 0.0014 0.0205 0.0100 129 LEU 37 CG 0.0007 0.0212 0.0073 130 LEU 37 CD1 0.0002 0.0227 0.0062 131 LEU 37 CD2 0.0004 0.0225 0.0071 132 LEU 37 H 0.0013 0.0229 0.0127 133 LEU 37 HA 0.0008 0.0240 0.0111 134 LEU 37 HB2 0.0018 0.0195 0.0107 135 LEU 37 HB3 0.0017 0.0194 0.0100 136 LEU 37 HG 0.0009 0.0195 0.0062 137 LEU 37 HD11 -0.0003 0.0231 0.0043 138 LEU 37 HD12 -0.0000 0.0244 0.0073 139 LEU 37 HD13 0.0004 0.0217 0.0063 140 LEU 37 HD21 -0.0001 0.0229 0.0052 141 LEU 37 HD22 0.0008 0.0213 0.0077 142 LEU 37 HD23 0.0002 0.0241 0.0082 143 PRO 38 N -0.0010 0.0061 0.0178 144 PRO 38 CA 0.0003 0.0058 0.0165 145 PRO 38 C 0.0018 0.0065 0.0162 146 PRO 38 O 0.0016 0.0065 0.0163 147 PRO 38 CB -0.0004 0.0043 0.0153 148 PRO 38 CG -0.0022 0.0038 0.0160 149 PRO 38 CD -0.0025 0.0049 0.0175 150 PRO 38 HA 0.0007 0.0061 0.0165 151 PRO 38 HB2 0.0000 0.0041 0.0147 152 PRO 38 HB3 0.0001 0.0039 0.0145 153 PRO 38 HG2 -0.0027 0.0029 0.0155 154 PRO 38 HG3 -0.0026 0.0036 0.0161 155 PRO 38 HD2 -0.0026 0.0048 0.0175 156 PRO 38 HD3 -0.0035 0.0050 0.0183 157 GLY 39 N -0.0051 0.0109 0.0203 158 GLY 39 CA -0.0035 0.0072 0.0206 159 GLY 39 C -0.0022 0.0047 0.0198 160 GLY 39 O -0.0006 0.0017 0.0187 161 GLY 39 H -0.0061 0.0121 0.0226 162 GLY 39 HA2 -0.0036 0.0065 0.0235 163 GLY 39 HA3 -0.0030 0.0068 0.0186 164 GLY 40 N -0.0020 0.0114 0.0176 165 GLY 40 CA -0.0016 0.0079 0.0139 166 GLY 40 C -0.0003 0.0071 0.0085 167 GLY 40 O 0.0000 0.0038 0.0050 168 GLY 40 H -0.0017 0.0152 0.0185 169 GLY 40 HA2 -0.0012 0.0097 0.0133 170 GLY 40 HA3 -0.0026 0.0039 0.0157 171 GLY 41 N 0.0039 -0.0026 0.0154 172 GLY 41 CA 0.0052 -0.0033 0.0099 173 GLY 41 C 0.0055 -0.0089 0.0095 174 GLY 41 O 0.0066 -0.0106 0.0049 175 GLY 41 H 0.0032 0.0003 0.0181 176 GLY 41 HA2 0.0053 0.0004 0.0090 177 GLY 41 HA3 0.0059 -0.0034 0.0067 178 LEU 42 N 0.0010 -0.0052 0.0073 179 LEU 42 CA -0.0046 -0.0167 0.0095 180 LEU 42 C -0.0067 -0.0127 0.0176 181 LEU 42 O -0.0107 -0.0211 0.0189 182 LEU 42 CB -0.0114 -0.0256 0.0165 183 LEU 42 CG -0.0104 -0.0308 0.0097 184 LEU 42 CD1 -0.0176 -0.0393 0.0180 185 LEU 42 CD2 -0.0073 -0.0387 -0.0039 186 LEU 42 H -0.0008 -0.0019 0.0142 187 LEU 42 HA -0.0025 -0.0223 0.0001 188 LEU 42 HB2 -0.0135 -0.0200 0.0260 189 LEU 42 HB3 -0.0156 -0.0341 0.0181 190 LEU 42 HG -0.0064 -0.0223 0.0085 191 LEU 42 HD11 -0.0168 -0.0429 0.0130 192 LEU 42 HD12 -0.0218 -0.0477 0.0197 193 LEU 42 HD13 -0.0195 -0.0333 0.0273 194 LEU 42 HD21 -0.0111 -0.0471 -0.0030 195 LEU 42 HD22 -0.0067 -0.0423 -0.0084 196 LEU 42 HD23 -0.0019 -0.0323 -0.0099 197 HIS 43 N -0.0014 0.0020 0.0124 198 HIS 43 CA -0.0024 0.0061 0.0116 199 HIS 43 C 0.0002 0.0052 0.0146 200 HIS 43 O -0.0001 0.0013 0.0139 201 HIS 43 CB -0.0062 0.0057 0.0069 202 HIS 43 CG -0.0090 0.0059 0.0034 203 HIS 43 ND1 -0.0105 0.0109 0.0020 204 HIS 43 CD2 -0.0106 0.0018 0.0011 205 HIS 43 CE1 -0.0129 0.0098 -0.0010 206 HIS 43 NE2 -0.0130 0.0043 -0.0017 207 HIS 43 H -0.0012 -0.0020 0.0123 208 HIS 43 HA -0.0021 0.0103 0.0123 209 HIS 43 HB2 -0.0063 0.0019 0.0064 210 HIS 43 HB3 -0.0067 0.0092 0.0065 211 HIS 43 HD1 -0.0098 0.0147 0.0032 212 HIS 43 HD2 -0.0101 -0.0027 0.0014 213 HIS 43 HE1 -0.0146 0.0129 -0.0028 214 HIS 43 HE2 -0.0143 0.0024 -0.0033 215 ARG 44 N 0.0021 -0.0012 0.0241 216 ARG 44 CA 0.0101 0.0063 0.0221 217 ARG 44 C 0.0092 0.0104 0.0263 218 ARG 44 O 0.0039 0.0054 0.0277 219 ARG 44 CB 0.0164 0.0024 0.0125 220 ARG 44 CG 0.0170 -0.0043 0.0065 221 ARG 44 CD 0.0228 -0.0083 -0.0027 222 ARG 44 NE 0.0234 -0.0154 -0.0089 223 ARG 44 CZ 0.0288 -0.0191 -0.0174 224 ARG 44 NH1 0.0341 -0.0166 -0.0208 225 ARG 44 NH2 0.0290 -0.0253 -0.0227 226 ARG 44 H -0.0012 -0.0065 0.0232 227 ARG 44 HA 0.0128 0.0117 0.0236 228 ARG 44 HB2 0.0148 -0.0010 0.0114 229 ARG 44 HB3 0.0226 0.0084 0.0110 230 ARG 44 HG2 0.0194 -0.0004 0.0071 231 ARG 44 HG3 0.0106 -0.0099 0.0085 232 ARG 44 HD2 0.0206 -0.0116 -0.0030 233 ARG 44 HD3 0.0292 -0.0025 -0.0044 234 ARG 44 HE 0.0193 -0.0174 -0.0064 235 ARG 44 HH11 0.0342 -0.0119 -0.0171 236 ARG 44 HH12 0.0383 -0.0193 -0.0272 237 ARG 44 HH21 0.0252 -0.0275 -0.0205 238 ARG 44 HH22 0.0331 -0.0281 -0.0291 239 CYS 45 N 0.0093 0.0076 0.0190 240 CYS 45 CA 0.0108 0.0105 0.0185 241 CYS 45 C 0.0127 0.0096 0.0224 242 CYS 45 O 0.0115 0.0065 0.0237 243 CYS 45 CB 0.0088 0.0104 0.0152 244 CYS 45 SG 0.0107 0.0136 0.0150 245 CYS 45 H 0.0075 0.0050 0.0190 246 CYS 45 HA 0.0123 0.0133 0.0179 247 CYS 45 HB2 0.0077 0.0115 0.0125 248 CYS 45 HB3 0.0070 0.0075 0.0155 249 LEU 46 N 0.0161 0.0120 0.0400 250 LEU 46 CA 0.0259 0.0112 0.0198 251 LEU 46 C 0.0360 0.0286 0.0170 252 LEU 46 O 0.0469 0.0367 0.0034 253 LEU 46 CB 0.0209 -0.0075 0.0114 254 LEU 46 CG 0.0113 -0.0259 0.0122 255 LEU 46 CD1 0.0062 -0.0436 0.0050 256 LEU 46 CD2 0.0166 -0.0268 0.0010 257 LEU 46 H 0.0080 0.0023 0.0463 258 LEU 46 HA 0.0298 0.0115 0.0125 259 LEU 46 HB2 0.0169 -0.0079 0.0189 260 LEU 46 HB3 0.0283 -0.0077 -0.0034 261 LEU 46 HG 0.0042 -0.0251 0.0271 262 LEU 46 HD11 0.0017 -0.0433 0.0140 263 LEU 46 HD12 -0.0003 -0.0564 0.0052 264 LEU 46 HD13 0.0136 -0.0436 -0.0095 265 LEU 46 HD21 0.0193 -0.0149 0.0072 266 LEU 46 HD22 0.0243 -0.0263 -0.0138 267 LEU 46 HD23 0.0096 -0.0402 0.0016 268 ALA 47 N 0.0111 0.0141 0.0211 269 ALA 47 CA 0.0104 0.0133 0.0208 270 ALA 47 C 0.0110 0.0147 0.0210 271 ALA 47 O 0.0103 0.0146 0.0205 272 ALA 47 CB 0.0110 0.0112 0.0214 273 ALA 47 H 0.0118 0.0133 0.0217 274 ALA 47 HA 0.0091 0.0132 0.0198 275 ALA 47 HB1 0.0105 0.0106 0.0211 276 ALA 47 HB2 0.0124 0.0113 0.0223 277 ALA 47 HB3 0.0106 0.0102 0.0212 278 CYS 48 N 0.0250 0.0186 0.0186 279 CYS 48 CA 0.0232 0.0137 0.0177 280 CYS 48 C 0.0236 0.0085 0.0195 281 CYS 48 O 0.0228 0.0041 0.0196 282 CYS 48 CB 0.0194 0.0138 0.0127 283 CYS 48 SG 0.0191 0.0189 0.0109 284 CYS 48 H 0.0242 0.0196 0.0174 285 CYS 48 HA 0.0246 0.0136 0.0194 286 CYS 48 HB2 0.0178 0.0147 0.0103 287 CYS 48 HB3 0.0183 0.0100 0.0122 288 ALA 49 N 0.0343 0.0198 0.0232 289 ALA 49 CA 0.0376 0.0085 0.0187 290 ALA 49 C 0.0299 0.0053 0.0196 291 ALA 49 O 0.0332 -0.0016 0.0165 292 ALA 49 CB 0.0511 0.0092 0.0154 293 ALA 49 H 0.0316 0.0197 0.0239 294 ALA 49 HA 0.0357 0.0019 0.0170 295 ALA 49 HB1 0.0530 0.0159 0.0171 296 ALA 49 HB2 0.0563 0.0115 0.0148 297 ALA 49 HB3 0.0534 0.0008 0.0120 298 ARG 50 N 0.0202 0.0061 0.0235 299 ARG 50 CA 0.0132 0.0003 0.0178 300 ARG 50 C 0.0120 0.0023 0.0147 301 ARG 50 O 0.0150 0.0106 0.0131 302 ARG 50 CB 0.0083 0.0017 0.0100 303 ARG 50 CG 0.0086 -0.0010 0.0124 304 ARG 50 CD 0.0036 0.0006 0.0043 305 ARG 50 NE 0.0039 -0.0017 0.0065 306 ARG 50 CZ 0.0005 -0.0002 0.0006 307 ARG 50 NH1 -0.0038 0.0032 -0.0078 308 ARG 50 NH2 0.0012 -0.0024 0.0032 309 ARG 50 H 0.0220 0.0130 0.0211 310 ARG 50 HA 0.0121 -0.0071 0.0215 311 ARG 50 HB2 0.0094 0.0092 0.0064 312 ARG 50 HB3 0.0031 -0.0025 0.0058 313 ARG 50 HG2 0.0073 -0.0085 0.0158 314 ARG 50 HG3 0.0137 0.0033 0.0165 315 ARG 50 HD2 0.0048 0.0081 0.0008 316 ARG 50 HD3 -0.0015 -0.0038 0.0003 317 ARG 50 HE 0.0070 -0.0046 0.0127 318 ARG 50 HH11 -0.0046 0.0049 -0.0100 319 ARG 50 HH12 -0.0066 0.0044 -0.0123 320 ARG 50 HH21 0.0044 -0.0052 0.0095 321 ARG 50 HH22 -0.0012 -0.0012 -0.0011 322 TYR 51 N 0.0111 0.0124 0.0122 323 TYR 51 CA 0.0084 0.0085 0.0137 324 TYR 51 C 0.0053 0.0103 0.0179 325 TYR 51 O 0.0055 0.0138 0.0190 326 TYR 51 CB 0.0097 0.0063 0.0116 327 TYR 51 CG 0.0130 0.0048 0.0073 328 TYR 51 CD1 0.0162 0.0081 0.0049 329 TYR 51 CD2 0.0130 0.0001 0.0055 330 TYR 51 CE1 0.0193 0.0067 0.0010 331 TYR 51 CE2 0.0160 -0.0012 0.0016 332 TYR 51 CZ 0.0192 0.0021 -0.0006 333 TYR 51 OH 0.0222 0.0008 -0.0045 334 TYR 51 H 0.0122 0.0146 0.0118 335 TYR 51 HA 0.0079 0.0057 0.0133 336 TYR 51 HB2 0.0101 0.0090 0.0121 337 TYR 51 HB3 0.0076 0.0032 0.0126 338 TYR 51 HD1 0.0163 0.0117 0.0062 339 TYR 51 HD2 0.0105 -0.0024 0.0073 340 TYR 51 HE1 0.0217 0.0093 -0.0008 341 TYR 51 HE2 0.0160 -0.0049 0.0003 342 TYR 51 HH 0.0237 0.0021 -0.0057 343 PHE 52 N -0.0037 0.0022 0.0103 344 PHE 52 CA -0.0058 0.0022 0.0055 345 PHE 52 C -0.0053 0.0020 0.0074 346 PHE 52 O -0.0016 0.0036 0.0108 347 PHE 52 CB -0.0033 0.0056 0.0002 348 PHE 52 CG -0.0037 0.0060 -0.0020 349 PHE 52 CD1 -0.0004 0.0075 0.0006 350 PHE 52 CD2 -0.0073 0.0048 -0.0067 351 PHE 52 CE1 -0.0007 0.0079 -0.0014 352 PHE 52 CE2 -0.0077 0.0052 -0.0087 353 PHE 52 CZ -0.0044 0.0067 -0.0061 354 PHE 52 H -0.0000 0.0044 0.0117 355 PHE 52 HA -0.0098 -0.0002 0.0044 356 PHE 52 HB2 0.0006 0.0080 0.0014 357 PHE 52 HB3 -0.0050 0.0054 -0.0033 358 PHE 52 HD1 0.0025 0.0084 0.0042 359 PHE 52 HD2 -0.0099 0.0036 -0.0088 360 PHE 52 HE1 0.0019 0.0091 0.0007 361 PHE 52 HE2 -0.0105 0.0043 -0.0124 362 PHE 52 HZ -0.0046 0.0070 -0.0076 363 ILE 53 N -0.0076 0.0030 0.0014 364 ILE 53 CA -0.0046 0.0088 -0.0079 365 ILE 53 C -0.0039 0.0212 -0.0131 366 ILE 53 O -0.0034 0.0298 -0.0169 367 ILE 53 CB 0.0004 -0.0004 -0.0179 368 ILE 53 CG1 0.0030 -0.0050 -0.0231 369 ILE 53 CG2 -0.0001 -0.0115 -0.0134 370 ILE 53 CD1 0.0080 -0.0137 -0.0333 371 ILE 53 H -0.0061 -0.0056 0.0000 372 ILE 53 HA -0.0064 0.0109 -0.0040 373 ILE 53 HB 0.0025 0.0048 -0.0247 374 ILE 53 HG12 0.0008 -0.0100 -0.0163 375 ILE 53 HG13 0.0033 0.0032 -0.0263 376 ILE 53 HG21 -0.0025 -0.0166 -0.0061 377 ILE 53 HG22 -0.0017 -0.0080 -0.0105 378 ILE 53 HG23 0.0034 -0.0179 -0.0205 379 ILE 53 HD11 0.0103 -0.0088 -0.0405 380 ILE 53 HD12 0.0095 -0.0166 -0.0363 381 ILE 53 HD13 0.0078 -0.0220 -0.0303 382 ASP 54 N -0.0055 0.0099 -0.0126 383 ASP 54 CA -0.0055 0.0151 -0.0151 384 ASP 54 C -0.0082 0.0151 -0.0110 385 ASP 54 O -0.0089 0.0099 -0.0074 386 ASP 54 CB -0.0010 0.0136 -0.0213 387 ASP 54 CG -0.0006 0.0190 -0.0245 388 ASP 54 OD1 -0.0005 0.0243 -0.0274 389 ASP 54 OD2 -0.0005 0.0180 -0.0242 390 ASP 54 H -0.0059 0.0058 -0.0100 391 ASP 54 HA -0.0067 0.0200 -0.0157 392 ASP 54 HB2 0.0009 0.0134 -0.0241 393 ASP 54 HB3 0.0001 0.0088 -0.0207 394 SER 55 N -0.0071 0.0098 -0.0150 395 SER 55 CA -0.0095 0.0052 -0.0149 396 SER 55 C -0.0074 0.0023 -0.0119 397 SER 55 O -0.0091 -0.0006 -0.0121 398 SER 55 CB -0.0108 0.0030 -0.0150 399 SER 55 OG -0.0130 -0.0015 -0.0149 400 SER 55 H -0.0064 0.0108 -0.0148 401 SER 55 HA -0.0120 0.0053 -0.0171 402 SER 55 HB2 -0.0125 0.0050 -0.0174 403 SER 55 HB3 -0.0083 0.0032 -0.0131 404 SER 55 HG -0.0113 -0.0035 -0.0126 405 THR 56 N -0.0084 -0.0093 -0.0119 406 THR 56 CA -0.0055 -0.0083 0.0021 407 THR 56 C -0.0046 0.0082 -0.0058 408 THR 56 O -0.0050 0.0049 -0.0053 409 THR 56 CB -0.0004 -0.0031 0.0236 410 THR 56 OG1 -0.0013 -0.0172 0.0297 411 THR 56 CG2 0.0024 -0.0049 0.0392 412 THR 56 H -0.0068 -0.0055 -0.0066 413 THR 56 HA -0.0076 -0.0232 0.0027 414 THR 56 HB 0.0017 0.0126 0.0227 415 THR 56 HG1 -0.0017 -0.0114 0.0233 416 THR 56 HG21 0.0059 -0.0010 0.0542 417 THR 56 HG22 0.0002 -0.0205 0.0397 418 THR 56 HG23 0.0031 0.0057 0.0347 419 ASN 57 N -0.0052 0.0083 -0.0088 420 ASN 57 CA -0.0066 0.0123 -0.0116 421 ASN 57 C -0.0065 0.0111 -0.0169 422 ASN 57 O -0.0072 0.0129 -0.0194 423 ASN 57 CB -0.0077 0.0162 -0.0107 424 ASN 57 CG -0.0084 0.0191 -0.0061 425 ASN 57 OD1 -0.0095 0.0225 -0.0062 426 ASN 57 ND2 -0.0078 0.0178 -0.0020 427 ASN 57 H -0.0051 0.0083 -0.0074 428 ASN 57 HA -0.0069 0.0134 -0.0103 429 ASN 57 HB2 -0.0072 0.0147 -0.0103 430 ASN 57 HB3 -0.0086 0.0185 -0.0138 431 ASN 57 HD21 -0.0069 0.0150 -0.0020 432 ASN 57 HD22 -0.0082 0.0196 0.0009 433 LEU 58 N -0.0046 0.0047 -0.0174 434 LEU 58 CA -0.0030 0.0055 -0.0163 435 LEU 58 C -0.0014 0.0074 -0.0193 436 LEU 58 O -0.0017 0.0074 -0.0202 437 LEU 58 CB -0.0010 0.0062 -0.0127 438 LEU 58 CG 0.0012 0.0074 -0.0112 439 LEU 58 CD1 0.0040 0.0098 -0.0130 440 LEU 58 CD2 -0.0002 0.0065 -0.0115 441 LEU 58 H -0.0040 0.0049 -0.0162 442 LEU 58 HA -0.0047 0.0042 -0.0158 443 LEU 58 HB2 -0.0025 0.0047 -0.0107 444 LEU 58 HB3 0.0002 0.0071 -0.0131 445 LEU 58 HG 0.0020 0.0074 -0.0085 446 LEU 58 HD11 0.0055 0.0106 -0.0119 447 LEU 58 HD12 0.0034 0.0100 -0.0158 448 LEU 58 HD13 0.0051 0.0105 -0.0126 449 LEU 58 HD21 -0.0009 0.0066 -0.0143 450 LEU 58 HD22 0.0014 0.0073 -0.0103 451 LEU 58 HD23 -0.0021 0.0048 -0.0101 452 LYS 59 N -0.0001 -0.0068 -0.0317 453 LYS 59 CA -0.0006 -0.0137 -0.0295 454 LYS 59 C -0.0008 -0.0041 -0.0238 455 LYS 59 O -0.0005 -0.0055 -0.0272 456 LYS 59 CB -0.0019 -0.0264 -0.0208 457 LYS 59 CG -0.0031 -0.0240 -0.0067 458 LYS 59 CD -0.0043 -0.0372 0.0007 459 LYS 59 CE -0.0048 -0.0453 0.0029 460 LYS 59 NZ -0.0054 -0.0382 0.0117 461 LYS 59 H -0.0007 -0.0093 -0.0272 462 LYS 59 HA 0.0002 -0.0166 -0.0393 463 LYS 59 HB2 -0.0022 -0.0316 -0.0203 464 LYS 59 HB3 -0.0017 -0.0329 -0.0257 465 LYS 59 HG2 -0.0029 -0.0185 -0.0072 466 LYS 59 HG3 -0.0034 -0.0181 -0.0013 467 LYS 59 HD2 -0.0040 -0.0433 -0.0053 468 LYS 59 HD3 -0.0051 -0.0351 0.0102 469 LYS 59 HE2 -0.0040 -0.0471 -0.0067 470 LYS 59 HE3 -0.0056 -0.0548 0.0074 471 LYS 59 HZ1 -0.0062 -0.0369 0.0212 472 LYS 59 HZ2 -0.0057 -0.0440 0.0129 473 LYS 59 HZ3 -0.0047 -0.0288 0.0081 474 THR 60 N -0.0041 -0.0057 -0.0223 475 THR 60 CA -0.0071 -0.0017 -0.0236 476 THR 60 C -0.0100 0.0018 -0.0307 477 THR 60 O -0.0113 0.0033 -0.0348 478 THR 60 CB -0.0101 0.0025 -0.0169 479 THR 60 OG1 -0.0073 -0.0010 -0.0104 480 THR 60 CG2 -0.0132 0.0066 -0.0181 481 THR 60 H -0.0045 -0.0050 -0.0179 482 THR 60 HA -0.0051 -0.0045 -0.0244 483 THR 60 HB -0.0119 0.0050 -0.0163 484 THR 60 HG1 -0.0058 -0.0028 -0.0089 485 THR 60 HG21 -0.0152 0.0095 -0.0133 486 THR 60 HG22 -0.0113 0.0040 -0.0189 487 THR 60 HG23 -0.0153 0.0092 -0.0229 488 HIS 61 N -0.0010 0.0066 -0.0308 489 HIS 61 CA -0.0000 0.0050 -0.0274 490 HIS 61 C 0.0018 0.0087 -0.0259 491 HIS 61 O 0.0021 0.0079 -0.0245 492 HIS 61 CB 0.0008 0.0023 -0.0236 493 HIS 61 CG 0.0024 0.0018 -0.0193 494 HIS 61 ND1 0.0019 -0.0009 -0.0185 495 HIS 61 CD2 0.0046 0.0040 -0.0158 496 HIS 61 CE1 0.0038 -0.0003 -0.0146 497 HIS 61 NE2 0.0054 0.0026 -0.0130 498 HIS 61 H -0.0008 0.0064 -0.0302 499 HIS 61 HA -0.0013 0.0027 -0.0288 500 HIS 61 HB2 -0.0006 -0.0011 -0.0244 501 HIS 61 HB3 0.0015 0.0040 -0.0231 502 HIS 61 HD1 0.0005 -0.0030 -0.0204 503 HIS 61 HD2 0.0056 0.0064 -0.0153 504 HIS 61 HE1 0.0042 -0.0016 -0.0127 505 PHE 62 N 0.0075 -0.0053 -0.0182 506 PHE 62 CA 0.0076 -0.0049 -0.0179 507 PHE 62 C 0.0083 -0.0059 -0.0206 508 PHE 62 O 0.0086 -0.0056 -0.0208 509 PHE 62 CB 0.0088 -0.0020 -0.0167 510 PHE 62 CG 0.0084 -0.0006 -0.0142 511 PHE 62 CD1 0.0066 -0.0016 -0.0118 512 PHE 62 CD2 0.0098 0.0017 -0.0142 513 PHE 62 CE1 0.0062 -0.0003 -0.0095 514 PHE 62 CE2 0.0094 0.0030 -0.0119 515 PHE 62 CZ 0.0077 0.0020 -0.0096 516 PHE 62 H 0.0086 -0.0039 -0.0186 517 PHE 62 HA 0.0061 -0.0060 -0.0164 518 PHE 62 HB2 0.0103 -0.0009 -0.0183 519 PHE 62 HB3 0.0084 -0.0021 -0.0161 520 PHE 62 HD1 0.0054 -0.0034 -0.0118 521 PHE 62 HD2 0.0112 0.0025 -0.0160 522 PHE 62 HE1 0.0048 -0.0011 -0.0077 523 PHE 62 HE2 0.0106 0.0048 -0.0120 524 PHE 62 HZ 0.0075 0.0031 -0.0078 525 ARG 63 N 0.0024 -0.0121 -0.0282 526 ARG 63 CA -0.0005 -0.0069 -0.0202 527 ARG 63 C 0.0057 0.0010 -0.0190 528 ARG 63 O 0.0044 0.0062 -0.0125 529 ARG 63 CB -0.0048 -0.0061 -0.0148 530 ARG 63 CG -0.0119 -0.0137 -0.0146 531 ARG 63 CD -0.0160 -0.0126 -0.0093 532 ARG 63 NE -0.0179 -0.0066 -0.0014 533 ARG 63 CZ -0.0225 -0.0053 0.0048 534 ARG 63 NH1 -0.0261 -0.0100 0.0041 535 ARG 63 NH2 -0.0235 0.0005 0.0116 536 ARG 63 H 0.0030 -0.0130 -0.0299 537 ARG 63 HA -0.0043 -0.0098 -0.0189 538 ARG 63 HB2 -0.0012 -0.0041 -0.0166 539 ARG 63 HB3 -0.0063 -0.0018 -0.0090 540 ARG 63 HG2 -0.0155 -0.0155 -0.0126 541 ARG 63 HG3 -0.0105 -0.0181 -0.0204 542 ARG 63 HD2 -0.0211 -0.0181 -0.0092 543 ARG 63 HD3 -0.0125 -0.0110 -0.0115 544 ARG 63 HE -0.0154 -0.0032 -0.0007 545 ARG 63 HH11 -0.0255 -0.0145 -0.0010 546 ARG 63 HH12 -0.0296 -0.0091 0.0086 547 ARG 63 HH21 -0.0209 0.0041 0.0123 548 ARG 63 HH22 -0.0269 0.0018 0.0164 549 SER 64 N -0.0071 -0.0128 -0.0191 550 SER 64 CA -0.0056 -0.0151 -0.0145 551 SER 64 C -0.0075 -0.0114 -0.0102 552 SER 64 O -0.0085 -0.0096 -0.0082 553 SER 64 CB -0.0036 -0.0183 -0.0130 554 SER 64 OG -0.0022 -0.0211 -0.0173 555 SER 64 H -0.0073 -0.0126 -0.0199 556 SER 64 HA -0.0046 -0.0168 -0.0151 557 SER 64 HB2 -0.0046 -0.0165 -0.0116 558 SER 64 HB3 -0.0022 -0.0205 -0.0100 559 SER 64 HG -0.0009 -0.0233 -0.0181 560 LYS 65 N -0.0186 0.0005 0.0224 561 LYS 65 CA -0.0138 -0.0099 0.0116 562 LYS 65 C -0.0085 -0.0058 -0.0081 563 LYS 65 O -0.0035 -0.0177 -0.0185 564 LYS 65 CB -0.0159 -0.0091 0.0181 565 LYS 65 CG -0.0195 0.0098 0.0208 566 LYS 65 CD -0.0162 0.0215 0.0040 567 LYS 65 CE -0.0200 0.0399 0.0076 568 LYS 65 NZ -0.0170 0.0519 -0.0084 569 LYS 65 H -0.0225 0.0085 0.0311 570 LYS 65 HA -0.0123 -0.0237 0.0135 571 LYS 65 HB2 -0.0121 -0.0155 0.0086 572 LYS 65 HB3 -0.0184 -0.0169 0.0303 573 LYS 65 HG2 -0.0210 0.0081 0.0264 574 LYS 65 HG3 -0.0233 0.0167 0.0300 575 LYS 65 HD2 -0.0147 0.0234 -0.0018 576 LYS 65 HD3 -0.0125 0.0147 -0.0049 577 LYS 65 HE2 -0.0212 0.0379 0.0125 578 LYS 65 HE3 -0.0239 0.0461 0.0173 579 LYS 65 HZ1 -0.0132 0.0464 -0.0182 580 LYS 65 HZ2 -0.0159 0.0546 -0.0133 581 LYS 65 HZ3 -0.0197 0.0642 -0.0056 582 ASP 66 N -0.0082 -0.0024 0.0015 583 ASP 66 CA -0.0011 -0.0004 -0.0018 584 ASP 66 C 0.0012 -0.0062 -0.0089 585 ASP 66 O 0.0050 -0.0067 -0.0120 586 ASP 66 CB 0.0046 0.0054 -0.0007 587 ASP 66 CG 0.0118 0.0086 -0.0030 588 ASP 66 OD1 0.0126 0.0133 0.0008 589 ASP 66 OD2 0.0167 0.0065 -0.0084 590 ASP 66 H -0.0084 -0.0008 0.0031 591 ASP 66 HA -0.0018 0.0013 0.0002 592 ASP 66 HB2 0.0025 0.0090 0.0042 593 ASP 66 HB3 0.0057 0.0034 -0.0033 594 HIS 67 N 0.0024 -0.0142 -0.0057 595 HIS 67 CA 0.0018 -0.0126 -0.0046 596 HIS 67 C 0.0018 -0.0112 -0.0041 597 HIS 67 O 0.0007 -0.0106 -0.0029 598 HIS 67 CB 0.0027 -0.0117 -0.0052 599 HIS 67 CG 0.0023 -0.0102 -0.0043 600 HIS 67 ND1 0.0008 -0.0103 -0.0029 601 HIS 67 CD2 0.0030 -0.0091 -0.0046 602 HIS 67 CE1 0.0007 -0.0092 -0.0025 603 HIS 67 NE2 0.0019 -0.0085 -0.0035 604 HIS 67 H 0.0033 -0.0145 -0.0066 605 HIS 67 HA 0.0007 -0.0131 -0.0037 606 HIS 67 HB2 0.0028 -0.0127 -0.0056 607 HIS 67 HB3 0.0038 -0.0111 -0.0061 608 HIS 67 HD1 0.0000 -0.0110 -0.0024 609 HIS 67 HD2 0.0041 -0.0086 -0.0056 610 HIS 67 HE1 -0.0003 -0.0089 -0.0014 611 LYS 68 N -0.0050 -0.0118 -0.0022 612 LYS 68 CA -0.0054 -0.0122 -0.0024 613 LYS 68 C -0.0069 -0.0141 -0.0027 614 LYS 68 O -0.0082 -0.0142 -0.0031 615 LYS 68 CB -0.0035 -0.0126 -0.0018 616 LYS 68 CG -0.0019 -0.0107 -0.0014 617 LYS 68 CD 0.0001 -0.0112 -0.0008 618 LYS 68 CE 0.0011 -0.0132 -0.0005 619 LYS 68 NZ 0.0031 -0.0137 0.0001 620 LYS 68 H -0.0036 -0.0121 -0.0018 621 LYS 68 HA -0.0062 -0.0108 -0.0026 622 LYS 68 HB2 -0.0028 -0.0140 -0.0016 623 LYS 68 HB3 -0.0037 -0.0127 -0.0019 624 LYS 68 HG2 -0.0025 -0.0092 -0.0016 625 LYS 68 HG3 -0.0016 -0.0106 -0.0013 626 LYS 68 HD2 -0.0002 -0.0115 -0.0009 627 LYS 68 HD3 0.0012 -0.0099 -0.0005 628 LYS 68 HE2 0.0013 -0.0130 -0.0004 629 LYS 68 HE3 0.0001 -0.0146 -0.0007 630 LYS 68 HZ1 0.0030 -0.0139 0.0001 631 LYS 68 HZ2 0.0038 -0.0150 0.0003 632 LYS 68 HZ3 0.0041 -0.0124 0.0004 633 LYS 69 N -0.0114 -0.0195 -0.0090 634 LYS 69 CA -0.0083 -0.0162 -0.0119 635 LYS 69 C -0.0032 -0.0166 -0.0183 636 LYS 69 O -0.0006 -0.0186 -0.0220 637 LYS 69 CB -0.0087 -0.0085 -0.0091 638 LYS 69 CG -0.0049 -0.0033 -0.0122 639 LYS 69 CD -0.0059 0.0041 -0.0089 640 LYS 69 CE -0.0022 0.0103 -0.0115 641 LYS 69 NZ -0.0035 0.0172 -0.0079 642 LYS 69 H -0.0133 -0.0166 -0.0057 643 LYS 69 HA -0.0093 -0.0188 -0.0113 644 LYS 69 HB2 -0.0120 -0.0083 -0.0049 645 LYS 69 HB3 -0.0089 -0.0066 -0.0083 646 LYS 69 HG2 -0.0016 -0.0038 -0.0165 647 LYS 69 HG3 -0.0049 -0.0046 -0.0126 648 LYS 69 HD2 -0.0092 0.0042 -0.0047 649 LYS 69 HD3 -0.0061 0.0050 -0.0083 650 LYS 69 HE2 0.0012 0.0101 -0.0158 651 LYS 69 HE3 -0.0022 0.0097 -0.0117 652 LYS 69 HZ1 -0.0010 0.0217 -0.0097 653 LYS 69 HZ2 -0.0037 0.0176 -0.0076 654 LYS 69 HZ3 -0.0068 0.0173 -0.0038 655 ARG 70 N -0.0090 -0.0116 -0.0031 656 ARG 70 CA -0.0035 -0.0125 -0.0079 657 ARG 70 C -0.0073 -0.0171 -0.0136 658 ARG 70 O -0.0052 -0.0180 -0.0163 659 ARG 70 CB 0.0030 -0.0120 -0.0110 660 ARG 70 CG 0.0094 -0.0124 -0.0156 661 ARG 70 CD 0.0127 -0.0090 -0.0116 662 ARG 70 NE 0.0186 -0.0094 -0.0160 663 ARG 70 CZ 0.0202 -0.0082 -0.0150 664 ARG 70 NH1 0.0162 -0.0066 -0.0097 665 ARG 70 NH2 0.0257 -0.0087 -0.0192 666 ARG 70 H -0.0086 -0.0114 -0.0029 667 ARG 70 HA -0.0014 -0.0101 -0.0051 668 ARG 70 HB2 0.0051 -0.0089 -0.0070 669 ARG 70 HB3 0.0007 -0.0146 -0.0142 670 ARG 70 HG2 0.0138 -0.0120 -0.0175 671 ARG 70 HG3 0.0073 -0.0157 -0.0199 672 ARG 70 HD2 0.0082 -0.0093 -0.0096 673 ARG 70 HD3 0.0149 -0.0057 -0.0074 674 ARG 70 HE 0.0215 -0.0106 -0.0198 675 ARG 70 HH11 0.0120 -0.0061 -0.0064 676 ARG 70 HH12 0.0173 -0.0057 -0.0090 677 ARG 70 HH21 0.0288 -0.0100 -0.0231 678 ARG 70 HH22 0.0272 -0.0080 -0.0187 679 LEU 71 N -0.0052 -0.0149 0.0015 680 LEU 71 CA -0.0050 -0.0133 0.0021 681 LEU 71 C -0.0054 -0.0164 0.0009 682 LEU 71 O -0.0073 -0.0156 0.0005 683 LEU 71 CB -0.0013 -0.0117 0.0041 684 LEU 71 CG -0.0004 -0.0086 0.0055 685 LEU 71 CD1 0.0033 -0.0072 0.0074 686 LEU 71 CD2 -0.0035 -0.0053 0.0054 687 LEU 71 H -0.0029 -0.0152 0.0023 688 LEU 71 HA -0.0072 -0.0110 0.0020 689 LEU 71 HB2 0.0009 -0.0141 0.0042 690 LEU 71 HB3 -0.0013 -0.0107 0.0045 691 LEU 71 HG -0.0001 -0.0099 0.0052 692 LEU 71 HD11 0.0031 -0.0060 0.0077 693 LEU 71 HD12 0.0055 -0.0095 0.0075 694 LEU 71 HD13 0.0039 -0.0050 0.0084 695 LEU 71 HD21 -0.0060 -0.0064 0.0040 696 LEU 71 HD22 -0.0039 -0.0041 0.0056 697 LEU 71 HD23 -0.0027 -0.0032 0.0064 698 LYS 72 N -0.0238 -0.0206 -0.0007 699 LYS 72 CA -0.0213 -0.0110 0.0014 700 LYS 72 C -0.0145 -0.0100 0.0088 701 LYS 72 O -0.0103 -0.0054 0.0130 702 LYS 72 CB -0.0255 -0.0043 -0.0038 703 LYS 72 CG -0.0234 0.0061 -0.0022 704 LYS 72 CD -0.0281 0.0122 -0.0078 705 LYS 72 CE -0.0261 0.0225 -0.0063 706 LYS 72 NZ -0.0307 0.0286 -0.0119 707 LYS 72 H -0.0276 -0.0218 -0.0047 708 LYS 72 HA -0.0212 -0.0093 0.0014 709 LYS 72 HB2 -0.0303 -0.0052 -0.0090 710 LYS 72 HB3 -0.0256 -0.0061 -0.0038 711 LYS 72 HG2 -0.0188 0.0072 0.0027 712 LYS 72 HG3 -0.0230 0.0080 -0.0020 713 LYS 72 HD2 -0.0327 0.0110 -0.0128 714 LYS 72 HD3 -0.0284 0.0103 -0.0080 715 LYS 72 HE2 -0.0216 0.0237 -0.0015 716 LYS 72 HE3 -0.0255 0.0242 -0.0059 717 LYS 72 HZ1 -0.0313 0.0272 -0.0124 718 LYS 72 HZ2 -0.0351 0.0277 -0.0166 719 LYS 72 HZ3 -0.0292 0.0357 -0.0107 720 GLN 73 N -0.0219 -0.0190 -0.0084 721 GLN 73 CA -0.0179 -0.0170 -0.0111 722 GLN 73 C -0.0172 -0.0183 -0.0240 723 GLN 73 O -0.0196 -0.0202 -0.0279 724 GLN 73 CB -0.0077 -0.0104 -0.0064 725 GLN 73 CG -0.0076 -0.0087 0.0065 726 GLN 73 CD 0.0027 -0.0020 0.0108 727 GLN 73 OE1 0.0102 0.0016 0.0048 728 GLN 73 NE2 0.0034 -0.0003 0.0211 729 GLN 73 H -0.0176 -0.0161 -0.0053 730 GLN 73 HA -0.0230 -0.0194 -0.0070 731 GLN 73 HB2 -0.0027 -0.0080 -0.0103 732 GLN 73 HB3 -0.0049 -0.0090 -0.0087 733 GLN 73 HG2 -0.0122 -0.0108 0.0105 734 GLN 73 HG3 -0.0107 -0.0101 0.0090 735 GLN 73 HE21 -0.0029 -0.0034 0.0253 736 GLN 73 HE22 0.0098 0.0039 0.0243 737 LEU 74 N -0.0186 -0.0230 -0.0176 738 LEU 74 CA -0.0217 -0.0175 -0.0272 739 LEU 74 C -0.0264 -0.0244 -0.0304 740 LEU 74 O -0.0304 -0.0221 -0.0392 741 LEU 74 CB -0.0160 -0.0060 -0.0261 742 LEU 74 CG -0.0183 0.0016 -0.0360 743 LEU 74 CD1 -0.0225 0.0034 -0.0448 744 LEU 74 CD2 -0.0121 0.0126 -0.0334 745 LEU 74 H -0.0139 -0.0206 -0.0111 746 LEU 74 HA -0.0247 -0.0167 -0.0333 747 LEU 74 HB2 -0.0125 -0.0019 -0.0230 748 LEU 74 HB3 -0.0134 -0.0076 -0.0203 749 LEU 74 HG -0.0214 -0.0022 -0.0386 750 LEU 74 HD11 -0.0239 0.0088 -0.0515 751 LEU 74 HD12 -0.0195 0.0070 -0.0423 752 LEU 74 HD13 -0.0270 -0.0044 -0.0469 753 LEU 74 HD21 -0.0088 0.0165 -0.0307 754 LEU 74 HD22 -0.0137 0.0178 -0.0404 755 LEU 74 HD23 -0.0092 0.0112 -0.0274 756 SER 75 N -0.0047 -0.0095 -0.0067 757 SER 75 CA 0.0116 -0.0051 -0.0003 758 SER 75 C 0.0016 -0.0279 0.0111 759 SER 75 O 0.0163 -0.0314 0.0227 760 SER 75 CB 0.0428 0.0021 0.0131 761 SER 75 OG 0.0591 0.0080 0.0184 762 SER 75 H -0.0185 -0.0010 -0.0215 763 SER 75 HA 0.0076 0.0106 -0.0147 764 SER 75 HB2 0.0486 0.0183 0.0042 765 SER 75 HB3 0.0466 -0.0136 0.0274 766 SER 75 HG 0.0741 0.0232 0.0158 767 VAL 76 N 0.0003 -0.0209 0.0073 768 VAL 76 CA 0.0004 -0.0202 0.0106 769 VAL 76 C 0.0024 -0.0226 0.0129 770 VAL 76 O 0.0035 -0.0239 0.0141 771 VAL 76 CB -0.0012 -0.0173 0.0124 772 VAL 76 CG1 -0.0011 -0.0166 0.0159 773 VAL 76 CG2 -0.0033 -0.0149 0.0102 774 VAL 76 H -0.0006 -0.0198 0.0065 775 VAL 76 HA 0.0002 -0.0200 0.0101 776 VAL 76 HB -0.0010 -0.0176 0.0127 777 VAL 76 HG11 -0.0022 -0.0146 0.0171 778 VAL 76 HG12 -0.0013 -0.0164 0.0156 779 VAL 76 HG13 0.0004 -0.0183 0.0175 780 VAL 76 HG21 -0.0044 -0.0129 0.0115 781 VAL 76 HG22 -0.0034 -0.0154 0.0078 782 VAL 76 HG23 -0.0035 -0.0146 0.0097 783 GLU 77 N -0.0091 0.0020 0.0079 784 GLU 77 CA -0.0081 0.0031 0.0069 785 GLU 77 C -0.0080 -0.0007 0.0091 786 GLU 77 O -0.0046 -0.0035 0.0095 787 GLU 77 CB -0.0036 0.0050 0.0044 788 GLU 77 CG 0.0005 0.0024 0.0045 789 GLU 77 CD 0.0048 0.0043 0.0019 790 GLU 77 OE1 0.0054 0.0074 -0.0000 791 GLU 77 OE2 0.0078 0.0027 0.0019 792 GLU 77 H -0.0078 -0.0008 0.0091 793 GLU 77 HA -0.0109 0.0054 0.0065 794 GLU 77 HB2 -0.0028 0.0052 0.0040 795 GLU 77 HB3 -0.0042 0.0081 0.0028 796 GLU 77 HG2 -0.0001 0.0022 0.0048 797 GLU 77 HG3 0.0011 -0.0007 0.0061 798 PRO 78 N -0.0298 0.0278 0.0117 799 PRO 78 CA -0.0324 0.0192 0.0211 800 PRO 78 C -0.0241 0.0236 0.0121 801 PRO 78 O -0.0281 0.0372 0.0022 802 PRO 78 CB -0.0526 0.0246 0.0285 803 PRO 78 CG -0.0597 0.0320 0.0262 804 PRO 78 CD -0.0465 0.0385 0.0122 805 PRO 78 HA -0.0269 0.0071 0.0288 806 PRO 78 HB2 -0.0566 0.0327 0.0237 807 PRO 78 HB3 -0.0565 0.0149 0.0398 808 PRO 78 HG2 -0.0723 0.0409 0.0258 809 PRO 78 HG3 -0.0610 0.0235 0.0347 810 PRO 78 HD2 -0.0490 0.0499 0.0035 811 PRO 78 HD3 -0.0465 0.0386 0.0121 812 TYR 79 N -0.0052 0.0122 0.0247 813 TYR 79 CA 0.0038 0.0120 0.0252 814 TYR 79 C -0.0002 0.0166 0.0361 815 TYR 79 O 0.0045 0.0208 0.0471 816 TYR 79 CB 0.0193 0.0113 0.0256 817 TYR 79 CG 0.0238 0.0063 0.0138 818 TYR 79 CD1 0.0232 0.0061 0.0131 819 TYR 79 CD2 0.0286 0.0018 0.0033 820 TYR 79 CE1 0.0272 0.0015 0.0023 821 TYR 79 CE2 0.0326 -0.0028 -0.0076 822 TYR 79 CZ 0.0319 -0.0029 -0.0080 823 TYR 79 OH 0.0359 -0.0075 -0.0190 824 TYR 79 H -0.0118 0.0097 0.0175 825 TYR 79 HA 0.0015 0.0086 0.0165 826 TYR 79 HB2 0.0215 0.0145 0.0338 827 TYR 79 HB3 0.0252 0.0113 0.0264 828 TYR 79 HD1 0.0196 0.0095 0.0212 829 TYR 79 HD2 0.0291 0.0020 0.0037 830 TYR 79 HE1 0.0267 0.0014 0.0020 831 TYR 79 HE2 0.0363 -0.0062 -0.0157 832 TYR 79 HH 0.0314 -0.0101 -0.0260 833 SER 80 N 0.0155 0.0017 0.0109 834 SER 80 CA 0.0171 0.0013 0.0090 835 SER 80 C 0.0196 0.0012 0.0057 836 SER 80 O 0.0199 0.0021 0.0050 837 SER 80 CB 0.0170 -0.0022 0.0102 838 SER 80 OG 0.0184 -0.0027 0.0086 839 SER 80 H 0.0156 -0.0005 0.0115 840 SER 80 HA 0.0165 0.0036 0.0090 841 SER 80 HB2 0.0152 -0.0021 0.0125 842 SER 80 HB3 0.0177 -0.0046 0.0101 843 SER 80 HG 0.0174 -0.0011 0.0094 844 GLN 81 N 0.0220 -0.0078 0.0012 845 GLN 81 CA 0.0186 -0.0078 -0.0036 846 GLN 81 C 0.0182 -0.0055 -0.0022 847 GLN 81 O 0.0213 -0.0061 0.0017 848 GLN 81 CB 0.0193 -0.0137 -0.0073 849 GLN 81 CG 0.0155 -0.0137 -0.0127 850 GLN 81 CD 0.0161 -0.0194 -0.0163 851 GLN 81 OE1 0.0195 -0.0233 -0.0148 852 GLN 81 NE2 0.0129 -0.0198 -0.0212 853 GLN 81 H 0.0246 -0.0113 0.0021 854 GLN 81 HA 0.0158 -0.0052 -0.0054 855 GLN 81 HB2 0.0200 -0.0155 -0.0078 856 GLN 81 HB3 0.0218 -0.0161 -0.0057 857 GLN 81 HG2 0.0147 -0.0116 -0.0122 858 GLN 81 HG3 0.0131 -0.0115 -0.0144 859 GLN 81 HE21 0.0103 -0.0165 -0.0222 860 GLN 81 HE22 0.0132 -0.0234 -0.0238 861 GLU 82 N 0.0093 -0.0064 0.0076 862 GLU 82 CA 0.0085 -0.0049 0.0060 863 GLU 82 C 0.0090 0.0005 0.0088 864 GLU 82 O 0.0084 0.0027 0.0080 865 GLU 82 CB 0.0093 -0.0099 0.0065 866 GLU 82 CG 0.0085 -0.0089 0.0047 867 GLU 82 CD 0.0092 -0.0140 0.0052 868 GLU 82 OE1 0.0110 -0.0153 0.0096 869 GLU 82 OE2 0.0080 -0.0169 0.0011 870 GLU 82 H 0.0083 -0.0054 0.0052 871 GLU 82 HA 0.0069 -0.0039 0.0018 872 GLU 82 HB2 0.0088 -0.0134 0.0042 873 GLU 82 HB3 0.0109 -0.0110 0.0106 874 GLU 82 HG2 0.0090 -0.0056 0.0072 875 GLU 82 HG3 0.0069 -0.0077 0.0007 876 GLU 83 N 0.0091 0.0105 0.0192 877 GLU 83 CA 0.0036 0.0152 0.0260 878 GLU 83 C -0.0057 0.0167 0.0204 879 GLU 83 O -0.0138 0.0205 0.0222 880 GLU 83 CB 0.0102 0.0149 0.0318 881 GLU 83 CG 0.0052 0.0197 0.0392 882 GLU 83 CD 0.0122 0.0193 0.0455 883 GLU 83 OE1 0.0151 0.0169 0.0420 884 GLU 83 OE2 0.0152 0.0215 0.0541 885 GLU 83 H 0.0108 0.0076 0.0134 886 GLU 83 HA 0.0014 0.0180 0.0310 887 GLU 83 HB2 0.0164 0.0140 0.0358 888 GLU 83 HB3 0.0128 0.0119 0.0267 889 GLU 83 HG2 -0.0005 0.0204 0.0353 890 GLU 83 HG3 0.0019 0.0227 0.0439 891 ALA 84 N 0.0081 0.0156 0.0191 892 ALA 84 CA 0.0067 0.0187 0.0180 893 ALA 84 C 0.0006 0.0124 0.0097 894 ALA 84 O -0.0002 0.0111 0.0085 895 ALA 84 CB 0.0137 0.0165 0.0259 896 ALA 84 H 0.0114 0.0085 0.0218 897 ALA 84 HA 0.0046 0.0277 0.0171 898 ALA 84 HB1 0.0125 0.0187 0.0249 899 ALA 84 HB2 0.0160 0.0076 0.0270 900 ALA 84 HB3 0.0177 0.0217 0.0315 901 GLU 85 N -0.0049 0.0104 0.0060 902 GLU 85 CA -0.0064 0.0063 -0.0056 903 GLU 85 C -0.0024 0.0050 -0.0025 904 GLU 85 O 0.0075 -0.0009 -0.0002 905 GLU 85 CB 0.0007 -0.0020 -0.0134 906 GLU 85 CG -0.0018 -0.0062 -0.0269 907 GLU 85 CD 0.0024 -0.0102 -0.0296 908 GLU 85 OE1 0.0123 -0.0177 -0.0309 909 GLU 85 OE2 -0.0041 -0.0062 -0.0304 910 GLU 85 H -0.0012 0.0110 0.0131 911 GLU 85 HA -0.0152 0.0103 -0.0102 912 GLU 85 HB2 -0.0006 -0.0009 -0.0130 913 GLU 85 HB3 0.0095 -0.0063 -0.0094 914 GLU 85 HG2 -0.0108 -0.0008 -0.0286 915 GLU 85 HG3 0.0009 -0.0105 -0.0323 916 ARG 86 N -0.0110 0.0083 0.0168 917 ARG 86 CA -0.0148 0.0102 0.0133 918 ARG 86 C -0.0165 0.0100 0.0149 919 ARG 86 O -0.0134 0.0086 0.0173 920 ARG 86 CB -0.0124 0.0119 0.0073 921 ARG 86 CG -0.0062 0.0111 0.0063 922 ARG 86 CD -0.0048 0.0103 0.0076 923 ARG 86 NE 0.0013 0.0094 0.0069 924 ARG 86 CZ 0.0040 0.0083 0.0087 925 ARG 86 NH1 0.0012 0.0080 0.0110 926 ARG 86 NH2 0.0095 0.0075 0.0081 927 ARG 86 H -0.0075 0.0074 0.0176 928 ARG 86 HA -0.0185 0.0108 0.0136 929 ARG 86 HB2 -0.0148 0.0131 0.0050 930 ARG 86 HB3 -0.0131 0.0125 0.0059 931 ARG 86 HG2 -0.0051 0.0123 0.0021 932 ARG 86 HG3 -0.0038 0.0098 0.0086 933 ARG 86 HD2 -0.0062 0.0092 0.0116 934 ARG 86 HD3 -0.0068 0.0117 0.0049 935 ARG 86 HE 0.0034 0.0097 0.0051 936 ARG 86 HH11 -0.0029 0.0086 0.0116 937 ARG 86 HH12 0.0032 0.0072 0.0124 938 ARG 86 HH21 0.0117 0.0077 0.0063 939 ARG 86 HH22 0.0117 0.0067 0.0094 940 ALA 87 N 0.0038 -0.0034 0.0060 941 ALA 87 CA 0.0121 -0.0032 0.0075 942 ALA 87 C 0.0183 -0.0129 -0.0082 943 ALA 87 O 0.0175 -0.0155 -0.0128 944 ALA 87 CB -0.0015 0.0012 0.0130 945 ALA 87 H -0.0082 -0.0051 0.0011 946 ALA 87 HA 0.0231 0.0006 0.0158 947 ALA 87 HB1 -0.0127 -0.0025 0.0049 948 ALA 87 HB2 -0.0059 0.0081 0.0241 949 ALA 87 HB3 0.0044 0.0012 0.0139 950 ALA 88 N 0.0152 -0.0062 0.0303 951 ALA 88 CA 0.0239 -0.0118 0.0006 952 ALA 88 C 0.0599 -0.0286 0.0011 953 ALA 88 O 0.0781 -0.0379 -0.0154 954 ALA 88 CB 0.0122 -0.0080 -0.0340 955 ALA 88 H 0.0275 -0.0118 0.0350 956 ALA 88 HA 0.0126 -0.0063 0.0034 957 ALA 88 HB1 0.0237 -0.0135 -0.0373 958 ALA 88 HB2 -0.0136 0.0042 -0.0336 959 ALA 88 HB3 0.0187 -0.0120 -0.0558 960 GLY 89 N -0.0354 -0.0064 0.0088 961 GLY 89 CA -0.0302 -0.0043 0.0079 962 GLY 89 C -0.0330 -0.0043 0.0060 963 GLY 89 O -0.0371 -0.0034 0.0012 964 GLY 89 H -0.0399 -0.0081 0.0095 965 GLY 89 HA2 -0.0275 -0.0018 0.0041 966 GLY 89 HA3 -0.0268 -0.0052 0.0122 967 MET 90 N 0.0018 -0.0064 -0.0003 968 MET 90 CA 0.0006 -0.0065 -0.0013 969 MET 90 C -0.0007 -0.0053 -0.0002 970 MET 90 O -0.0002 -0.0049 0.0008 971 MET 90 CB 0.0018 -0.0074 -0.0021 972 MET 90 CG 0.0007 -0.0077 -0.0035 973 MET 90 SD -0.0010 -0.0065 -0.0027 974 MET 90 CE -0.0018 -0.0073 -0.0046 975 MET 90 H 0.0017 -0.0066 -0.0007 976 MET 90 HA -0.0002 -0.0067 -0.0024 977 MET 90 HB2 0.0028 -0.0081 -0.0027 978 MET 90 HB3 0.0025 -0.0071 -0.0010 979 MET 90 HG2 -0.0001 -0.0080 -0.0045 980 MET 90 HG3 0.0016 -0.0084 -0.0039 981 MET 90 HE1 -0.0024 -0.0077 -0.0057 982 MET 90 HE2 -0.0029 -0.0067 -0.0044 983 MET 90 HE3 -0.0007 -0.0080 -0.0049 984 GLY 91 N -0.0031 0.0023 -0.0088 985 GLY 91 CA -0.0016 -0.0039 -0.0060 986 GLY 91 C 0.0032 0.0001 -0.0081 987 GLY 91 O -0.0008 0.0012 -0.0084 988 GLY 91 H -0.0068 0.0075 -0.0109 989 GLY 91 HA2 0.0026 -0.0091 -0.0039 990 GLY 91 HA3 -0.0082 -0.0062 -0.0046 991 SER 92 N -0.0025 -0.0029 0.0004 992 SER 92 CA -0.0031 -0.0042 0.0022 993 SER 92 C -0.0032 -0.0038 0.0054 994 SER 92 O -0.0023 -0.0014 0.0065 995 SER 92 CB -0.0027 -0.0033 0.0015 996 SER 92 OG -0.0026 -0.0037 -0.0015 997 SER 92 H -0.0017 -0.0009 0.0005 998 SER 92 HA -0.0039 -0.0064 0.0017 999 SER 92 HB2 -0.0019 -0.0011 0.0020 1000 SER 92 HB3 -0.0032 -0.0044 0.0028 1001 SER 92 HG -0.0028 -0.0042 -0.0024 1002 TYR 93 N 0.0020 -0.0023 0.0046 1003 TYR 93 CA 0.0008 -0.0015 0.0036 1004 TYR 93 C -0.0000 -0.0019 0.0033 1005 TYR 93 O 0.0006 -0.0025 0.0038 1006 TYR 93 CB 0.0013 0.0003 0.0034 1007 TYR 93 CG 0.0002 0.0013 0.0024 1008 TYR 93 CD1 -0.0002 0.0016 0.0021 1009 TYR 93 CD2 -0.0005 0.0019 0.0019 1010 TYR 93 CE1 -0.0013 0.0025 0.0012 1011 TYR 93 CE2 -0.0015 0.0029 0.0010 1012 TYR 93 CZ -0.0019 0.0032 0.0007 1013 TYR 93 OH -0.0030 0.0041 -0.0002 1014 TYR 93 H 0.0027 -0.0020 0.0049 1015 TYR 93 HA 0.0002 -0.0019 0.0034 1016 TYR 93 HB2 0.0021 0.0005 0.0037 1017 TYR 93 HB3 0.0019 0.0007 0.0036 1018 TYR 93 HD1 0.0003 0.0011 0.0025 1019 TYR 93 HD2 -0.0002 0.0017 0.0021 1020 TYR 93 HE1 -0.0016 0.0028 0.0010 1021 TYR 93 HE2 -0.0021 0.0033 0.0005 1022 TYR 93 HH -0.0038 0.0037 -0.0005 1023 VAL 94 N 0.0097 0.0046 -0.0008 1024 VAL 94 CA 0.0066 0.0025 -0.0005 1025 VAL 94 C 0.0063 0.0020 -0.0005 1026 VAL 94 O 0.0055 0.0045 0.0001 1027 VAL 94 CB 0.0033 0.0037 0.0004 1028 VAL 94 CG1 0.0025 0.0074 0.0013 1029 VAL 94 CG2 0.0002 0.0013 0.0007 1030 VAL 94 H 0.0094 0.0068 -0.0003 1031 VAL 94 HA 0.0072 -0.0000 -0.0011 1032 VAL 94 HB 0.0037 0.0037 0.0003 1033 VAL 94 HG11 0.0002 0.0081 0.0019 1034 VAL 94 HG12 0.0023 0.0076 0.0014 1035 VAL 94 HG13 0.0046 0.0091 0.0011 1036 VAL 94 HG21 -0.0001 0.0012 0.0007 1037 VAL 94 HG22 -0.0020 0.0022 0.0013 1038 VAL 94 HG23 0.0007 -0.0012 0.0001