1 ASP 28 N 0.0010 -0.0066 -0.0169 2 ASP 28 CA 0.0115 -0.0066 -0.0224 3 ASP 28 C -0.0274 -0.0103 -0.0224 4 ASP 28 O -0.0542 -0.0079 0.0043 5 ASP 28 CB 0.0398 0.0024 0.0114 6 ASP 28 CG 0.0524 0.0029 0.0076 7 ASP 28 OD1 0.0748 -0.0005 -0.0217 8 ASP 28 OD2 0.0421 0.0070 0.0348 9 ASP 28 H 0.0272 -0.0040 -0.0162 10 ASP 28 HA 0.0273 -0.0106 -0.0513 11 ASP 28 HB2 0.0674 0.0049 0.0108 12 ASP 28 HB3 0.0241 0.0063 0.0402 13 PRO 29 N -0.0051 -0.0189 -0.0124 14 PRO 29 CA 0.0286 -0.0139 -0.0112 15 PRO 29 C 0.0462 -0.0335 -0.0297 16 PRO 29 O 0.0385 -0.0412 -0.0356 17 PRO 29 CB 0.0345 0.0093 0.0081 18 PRO 29 CG 0.0036 0.0199 0.0200 19 PRO 29 CD -0.0205 -0.0005 0.0047 20 PRO 29 HA 0.0362 -0.0115 -0.0098 21 PRO 29 HB2 0.0440 0.0050 0.0036 22 PRO 29 HB3 0.0514 0.0208 0.0165 23 PRO 29 HG2 0.0021 0.0296 0.0285 24 PRO 29 HG3 0.0005 0.0316 0.0304 25 PRO 29 HD2 -0.0261 -0.0066 0.0000 26 PRO 29 HD3 -0.0411 0.0050 0.0113 27 ASN 30 N -0.0274 0.0214 0.0204 28 ASN 30 CA -0.0315 0.0245 0.0286 29 ASN 30 C -0.0128 0.0117 0.0597 30 ASN 30 O 0.0101 -0.0049 0.0551 31 ASN 30 CB -0.0275 0.0209 -0.0044 32 ASN 30 CG -0.0307 0.0233 0.0012 33 ASN 30 OD1 -0.0540 0.0400 -0.0017 34 ASN 30 ND2 -0.0076 0.0068 0.0081 35 ASN 30 H -0.0443 0.0335 0.0183 36 ASN 30 HA -0.0534 0.0404 0.0367 37 ASN 30 HB2 -0.0433 0.0318 -0.0237 38 ASN 30 HB3 -0.0066 0.0056 -0.0133 39 ASN 30 HD21 0.0107 -0.0064 0.0093 40 ASN 30 HD22 -0.0092 0.0081 0.0120 41 ALA 31 N -0.0088 -0.0000 0.0152 42 ALA 31 CA -0.0089 0.0015 0.0141 43 ALA 31 C -0.0096 -0.0020 0.0112 44 ALA 31 O -0.0104 -0.0020 0.0070 45 ALA 31 CB -0.0090 0.0062 0.0117 46 ALA 31 H -0.0092 -0.0027 0.0135 47 ALA 31 HA -0.0082 0.0019 0.0173 48 ALA 31 HB1 -0.0090 0.0073 0.0111 49 ALA 31 HB2 -0.0096 0.0059 0.0085 50 ALA 31 HB3 -0.0084 0.0087 0.0138 51 GLU 32 N -0.0232 -0.0646 -0.0128 52 GLU 32 CA -0.0085 -0.0480 -0.0147 53 GLU 32 C -0.0237 -0.0645 -0.0290 54 GLU 32 O -0.0173 -0.0574 -0.0263 55 GLU 32 CB 0.0123 -0.0236 -0.0389 56 GLU 32 CG 0.0054 -0.0298 -0.0778 57 GLU 32 CD 0.0269 -0.0046 -0.1006 58 GLU 32 OE1 0.0355 0.0057 -0.1161 59 GLU 32 OE2 0.0359 0.0056 -0.1032 60 GLU 32 H -0.0221 -0.0625 -0.0327 61 GLU 32 HA -0.0019 -0.0417 0.0124 62 GLU 32 HB2 0.0230 -0.0116 -0.0392 63 GLU 32 HB3 0.0225 -0.0126 -0.0276 64 GLU 32 HG2 -0.0048 -0.0412 -0.0783 65 GLU 32 HG3 -0.0055 -0.0415 -0.0891 66 PHE 33 N 0.0090 0.0180 -0.0143 67 PHE 33 CA 0.0086 0.0231 -0.0154 68 PHE 33 C 0.0126 0.0142 -0.0120 69 PHE 33 O 0.0141 0.0037 -0.0094 70 PHE 33 CB -0.0037 0.0259 -0.0211 71 PHE 33 CG -0.0123 0.0154 -0.0225 72 PHE 33 CD1 -0.0143 0.0069 -0.0217 73 PHE 33 CD2 -0.0181 0.0139 -0.0246 74 PHE 33 CE1 -0.0221 -0.0028 -0.0229 75 PHE 33 CE2 -0.0258 0.0043 -0.0259 76 PHE 33 CZ -0.0278 -0.0041 -0.0250 77 PHE 33 H 0.0034 0.0118 -0.0154 78 PHE 33 HA 0.0139 0.0313 -0.0149 79 PHE 33 HB2 -0.0042 0.0286 -0.0218 80 PHE 33 HB3 -0.0060 0.0331 -0.0235 81 PHE 33 HD1 -0.0099 0.0079 -0.0200 82 PHE 33 HD2 -0.0166 0.0205 -0.0253 83 PHE 33 HE1 -0.0236 -0.0093 -0.0223 84 PHE 33 HE2 -0.0303 0.0033 -0.0276 85 PHE 33 HZ -0.0338 -0.0117 -0.0260 86 ASP 34 N 0.0097 0.0021 0.0130 87 ASP 34 CA 0.0100 -0.0047 0.0163 88 ASP 34 C 0.0063 -0.0096 0.0114 89 ASP 34 O 0.0045 -0.0074 0.0070 90 ASP 34 CB 0.0127 -0.0040 0.0212 91 ASP 34 CG 0.0133 -0.0108 0.0253 92 ASP 34 OD1 0.0110 -0.0156 0.0230 93 ASP 34 OD2 0.0161 -0.0116 0.0310 94 ASP 34 H 0.0097 0.0052 0.0115 95 ASP 34 HA 0.0107 -0.0068 0.0187 96 ASP 34 HB2 0.0152 -0.0000 0.0243 97 ASP 34 HB3 0.0117 -0.0024 0.0187 98 PRO 35 N 0.0088 0.0111 0.0201 99 PRO 35 CA 0.0063 0.0122 0.0210 100 PRO 35 C 0.0122 0.0173 0.0226 101 PRO 35 O 0.0107 0.0184 0.0233 102 PRO 35 CB 0.0058 0.0044 0.0174 103 PRO 35 CG 0.0125 0.0008 0.0148 104 PRO 35 CD 0.0129 0.0041 0.0162 105 PRO 35 HA 0.0004 0.0144 0.0229 106 PRO 35 HB2 0.0067 0.0046 0.0174 107 PRO 35 HB3 -0.0000 0.0017 0.0169 108 PRO 35 HG2 0.0181 0.0020 0.0145 109 PRO 35 HG3 0.0112 -0.0051 0.0122 110 PRO 35 HD2 0.0191 0.0051 0.0159 111 PRO 35 HD3 0.0097 0.0005 0.0150 112 ASP 36 N 0.0065 0.0148 0.0522 113 ASP 36 CA -0.0044 0.0209 0.0426 114 ASP 36 C -0.0018 0.0175 0.0298 115 ASP 36 O -0.0096 0.0220 0.0238 116 ASP 36 CB -0.0093 0.0235 0.0376 117 ASP 36 CG -0.0204 0.0295 0.0271 118 ASP 36 OD1 -0.0303 0.0366 0.0317 119 ASP 36 OD2 -0.0194 0.0272 0.0139 120 ASP 36 H 0.0129 0.0103 0.0497 121 ASP 36 HA -0.0112 0.0261 0.0485 122 ASP 36 HB2 -0.0116 0.0262 0.0471 123 ASP 36 HB3 -0.0022 0.0182 0.0325 124 LEU 37 N 0.0035 -0.0046 0.0168 125 LEU 37 CA 0.0057 -0.0037 0.0099 126 LEU 37 C 0.0095 -0.0018 -0.0018 127 LEU 37 O 0.0143 0.0038 -0.0030 128 LEU 37 CB 0.0103 0.0034 0.0152 129 LEU 37 CG 0.0065 0.0011 0.0252 130 LEU 37 CD1 0.0005 -0.0070 0.0220 131 LEU 37 CD2 0.0035 -0.0000 0.0354 132 LEU 37 H 0.0069 0.0007 0.0213 133 LEU 37 HA 0.0007 -0.0100 0.0091 134 LEU 37 HB2 0.0144 0.0092 0.0180 135 LEU 37 HB3 0.0130 0.0051 0.0087 136 LEU 37 HG 0.0104 0.0066 0.0274 137 LEU 37 HD11 -0.0020 -0.0084 0.0290 138 LEU 37 HD12 -0.0035 -0.0127 0.0194 139 LEU 37 HD13 0.0028 -0.0059 0.0151 140 LEU 37 HD21 0.0009 -0.0016 0.0421 141 LEU 37 HD22 0.0079 0.0061 0.0381 142 LEU 37 HD23 -0.0003 -0.0053 0.0333 143 PRO 38 N 0.0093 0.0011 -0.0078 144 PRO 38 CA 0.0117 0.0015 -0.0139 145 PRO 38 C 0.0136 0.0075 -0.0146 146 PRO 38 O 0.0128 0.0094 -0.0113 147 PRO 38 CB 0.0108 -0.0037 -0.0152 148 PRO 38 CG 0.0080 -0.0080 -0.0107 149 PRO 38 CD 0.0070 -0.0042 -0.0054 150 PRO 38 HA 0.0127 0.0010 -0.0168 151 PRO 38 HB2 0.0111 -0.0021 -0.0148 152 PRO 38 HB3 0.0119 -0.0058 -0.0196 153 PRO 38 HG2 0.0070 -0.0105 -0.0098 154 PRO 38 HG3 0.0078 -0.0111 -0.0123 155 PRO 38 HD2 0.0064 -0.0028 -0.0026 156 PRO 38 HD3 0.0055 -0.0066 -0.0030 157 GLY 39 N 0.0076 0.0000 -0.0080 158 GLY 39 CA 0.0052 0.0015 -0.0080 159 GLY 39 C 0.0038 0.0024 -0.0089 160 GLY 39 O 0.0018 0.0037 -0.0082 161 GLY 39 H 0.0086 -0.0005 -0.0095 162 GLY 39 HA2 0.0049 0.0018 -0.0093 163 GLY 39 HA3 0.0047 0.0018 -0.0060 164 GLY 40 N 0.0107 0.0171 -0.0013 165 GLY 40 CA 0.0113 0.0172 -0.0001 166 GLY 40 C 0.0117 0.0173 -0.0001 167 GLY 40 O 0.0123 0.0175 0.0008 168 GLY 40 H 0.0098 0.0168 -0.0013 169 GLY 40 HA2 0.0107 0.0170 0.0007 170 GLY 40 HA3 0.0122 0.0175 0.0000 171 GLY 41 N 0.0142 0.0064 0.0012 172 GLY 41 CA 0.0158 0.0069 0.0002 173 GLY 41 C 0.0162 0.0065 0.0001 174 GLY 41 O 0.0175 0.0067 -0.0007 175 GLY 41 H 0.0133 0.0073 0.0015 176 GLY 41 HA2 0.0158 0.0083 -0.0001 177 GLY 41 HA3 0.0167 0.0061 -0.0001 178 LEU 42 N 0.0167 -0.0023 -0.0104 179 LEU 42 CA 0.0077 -0.0198 -0.0071 180 LEU 42 C 0.0039 -0.0118 0.0058 181 LEU 42 O -0.0023 -0.0243 0.0078 182 LEU 42 CB -0.0045 -0.0348 0.0039 183 LEU 42 CG -0.0026 -0.0448 -0.0070 184 LEU 42 CD1 -0.0155 -0.0589 0.0060 185 LEU 42 CD2 0.0037 -0.0577 -0.0282 186 LEU 42 H 0.0129 0.0026 0.0002 187 LEU 42 HA 0.0119 -0.0290 -0.0217 188 LEU 42 HB2 -0.0089 -0.0256 0.0188 189 LEU 42 HB3 -0.0111 -0.0477 0.0063 190 LEU 42 HG 0.0037 -0.0318 -0.0088 191 LEU 42 HD11 -0.0141 -0.0659 -0.0020 192 LEU 42 HD12 -0.0223 -0.0717 0.0087 193 LEU 42 HD13 -0.0195 -0.0492 0.0205 194 LEU 42 HD21 -0.0024 -0.0705 -0.0267 195 LEU 42 HD22 0.0047 -0.0647 -0.0353 196 LEU 42 HD23 0.0132 -0.0471 -0.0376 197 HIS 43 N 0.0046 -0.0062 -0.0100 198 HIS 43 CA 0.0030 -0.0004 -0.0065 199 HIS 43 C 0.0086 0.0044 -0.0064 200 HIS 43 O 0.0102 0.0067 -0.0060 201 HIS 43 CB -0.0025 0.0014 -0.0033 202 HIS 43 CG -0.0083 -0.0034 -0.0033 203 HIS 43 ND1 -0.0128 -0.0042 -0.0018 204 HIS 43 CD2 -0.0103 -0.0076 -0.0045 205 HIS 43 CE1 -0.0174 -0.0087 -0.0020 206 HIS 43 NE2 -0.0159 -0.0108 -0.0037 207 HIS 43 H 0.0065 -0.0063 -0.0109 208 HIS 43 HA 0.0017 -0.0008 -0.0061 209 HIS 43 HB2 -0.0009 0.0027 -0.0033 210 HIS 43 HB3 -0.0038 0.0054 -0.0008 211 HIS 43 HD1 -0.0127 -0.0019 -0.0007 212 HIS 43 HD2 -0.0079 -0.0084 -0.0059 213 HIS 43 HE1 -0.0216 -0.0101 -0.0010 214 HIS 43 HE2 -0.0181 -0.0147 -0.0047 215 ARG 44 N 0.0049 0.0092 0.0079 216 ARG 44 CA 0.0065 0.0099 0.0086 217 ARG 44 C 0.0072 0.0131 0.0083 218 ARG 44 O 0.0075 0.0147 0.0081 219 ARG 44 CB 0.0092 0.0086 0.0101 220 ARG 44 CG 0.0091 0.0055 0.0107 221 ARG 44 CD 0.0119 0.0047 0.0122 222 ARG 44 NE 0.0120 0.0017 0.0129 223 ARG 44 CZ 0.0143 0.0004 0.0142 224 ARG 44 NH1 0.0167 0.0018 0.0151 225 ARG 44 NH2 0.0142 -0.0023 0.0148 226 ARG 44 H 0.0055 0.0100 0.0081 227 ARG 44 HA 0.0055 0.0089 0.0083 228 ARG 44 HB2 0.0104 0.0100 0.0104 229 ARG 44 HB3 0.0101 0.0087 0.0105 230 ARG 44 HG2 0.0081 0.0041 0.0105 231 ARG 44 HG3 0.0080 0.0054 0.0102 232 ARG 44 HD2 0.0130 0.0062 0.0124 233 ARG 44 HD3 0.0129 0.0047 0.0127 234 ARG 44 HE 0.0103 0.0007 0.0123 235 ARG 44 HH11 0.0168 0.0038 0.0147 236 ARG 44 HH12 0.0184 0.0008 0.0161 237 ARG 44 HH21 0.0125 -0.0034 0.0142 238 ARG 44 HH22 0.0159 -0.0033 0.0158 239 CYS 45 N -0.0002 0.0054 0.0095 240 CYS 45 CA -0.0018 0.0014 0.0086 241 CYS 45 C -0.0065 0.0022 0.0083 242 CYS 45 O -0.0084 0.0031 0.0082 243 CYS 45 CB -0.0006 -0.0021 0.0082 244 CYS 45 SG -0.0034 -0.0071 0.0070 245 CYS 45 H -0.0001 0.0066 0.0097 246 CYS 45 HA -0.0007 0.0007 0.0086 247 CYS 45 HB2 0.0027 -0.0027 0.0084 248 CYS 45 HB3 -0.0010 -0.0010 0.0083 249 LEU 46 N -0.0096 -0.0061 0.0188 250 LEU 46 CA -0.0232 -0.0024 0.0080 251 LEU 46 C -0.0328 -0.0053 -0.0016 252 LEU 46 O -0.0439 0.0045 -0.0079 253 LEU 46 CB -0.0241 -0.0128 0.0035 254 LEU 46 CG -0.0155 -0.0099 0.0122 255 LEU 46 CD1 -0.0163 -0.0219 0.0072 256 LEU 46 CD2 -0.0194 0.0082 0.0152 257 LEU 46 H -0.0032 -0.0156 0.0211 258 LEU 46 HA -0.0258 0.0108 0.0104 259 LEU 46 HB2 -0.0214 -0.0259 0.0013 260 LEU 46 HB3 -0.0343 -0.0101 -0.0046 261 LEU 46 HG -0.0055 -0.0122 0.0203 262 LEU 46 HD11 -0.0126 -0.0346 0.0060 263 LEU 46 HD12 -0.0104 -0.0193 0.0134 264 LEU 46 HD13 -0.0266 -0.0203 -0.0013 265 LEU 46 HD21 -0.0178 0.0166 0.0195 266 LEU 46 HD22 -0.0297 0.0111 0.0070 267 LEU 46 HD23 -0.0133 0.0097 0.0211 268 ALA 47 N -0.0214 -0.0036 0.0081 269 ALA 47 CA -0.0263 -0.0085 0.0045 270 ALA 47 C -0.0320 -0.0115 0.0043 271 ALA 47 O -0.0374 -0.0153 0.0028 272 ALA 47 CB -0.0223 -0.0112 -0.0024 273 ALA 47 H -0.0164 -0.0026 0.0059 274 ALA 47 HA -0.0288 -0.0082 0.0069 275 ALA 47 HB1 -0.0259 -0.0147 -0.0050 276 ALA 47 HB2 -0.0198 -0.0116 -0.0049 277 ALA 47 HB3 -0.0183 -0.0091 -0.0022 278 CYS 48 N -0.0274 -0.0042 0.0027 279 CYS 48 CA -0.0252 -0.0011 0.0031 280 CYS 48 C -0.0274 0.0102 0.0030 281 CYS 48 O -0.0276 0.0134 0.0031 282 CYS 48 CB -0.0142 -0.0041 0.0049 283 CYS 48 SG -0.0125 -0.0175 0.0049 284 CYS 48 H -0.0235 -0.0014 0.0034 285 CYS 48 HA -0.0304 -0.0054 0.0021 286 CYS 48 HB2 -0.0078 -0.0020 0.0061 287 CYS 48 HB3 -0.0130 -0.0018 0.0052 288 ALA 49 N -0.0189 0.0060 -0.0011 289 ALA 49 CA -0.0204 0.0201 -0.0059 290 ALA 49 C -0.0085 0.0297 -0.0006 291 ALA 49 O -0.0082 0.0423 -0.0037 292 ALA 49 CB -0.0300 0.0254 -0.0136 293 ALA 49 H -0.0210 -0.0014 -0.0006 294 ALA 49 HA -0.0233 0.0194 -0.0076 295 ALA 49 HB1 -0.0272 0.0260 -0.0119 296 ALA 49 HB2 -0.0382 0.0185 -0.0171 297 ALA 49 HB3 -0.0313 0.0355 -0.0171 298 ARG 50 N -0.0079 0.0173 -0.0019 299 ARG 50 CA -0.0005 0.0237 0.0045 300 ARG 50 C 0.0089 0.0254 0.0107 301 ARG 50 O 0.0129 0.0175 0.0104 302 ARG 50 CB 0.0037 0.0172 0.0049 303 ARG 50 CG -0.0052 0.0159 -0.0008 304 ARG 50 CD -0.0004 0.0094 -0.0000 305 ARG 50 NE -0.0088 0.0078 -0.0056 306 ARG 50 CZ -0.0069 0.0015 -0.0065 307 ARG 50 NH1 0.0032 -0.0033 -0.0021 308 ARG 50 NH2 -0.0151 0.0003 -0.0117 309 ARG 50 H -0.0058 0.0086 -0.0035 310 ARG 50 HA -0.0049 0.0325 0.0048 311 ARG 50 HB2 0.0079 0.0083 0.0045 312 ARG 50 HB3 0.0095 0.0222 0.0100 313 ARG 50 HG2 -0.0093 0.0248 -0.0003 314 ARG 50 HG3 -0.0110 0.0108 -0.0059 315 ARG 50 HD2 0.0039 0.0006 -0.0004 316 ARG 50 HD3 0.0053 0.0147 0.0050 317 ARG 50 HE -0.0163 0.0117 -0.0087 318 ARG 50 HH11 0.0097 -0.0024 0.0020 319 ARG 50 HH12 0.0050 -0.0079 -0.0025 320 ARG 50 HH21 -0.0229 0.0040 -0.0152 321 ARG 50 HH22 -0.0138 -0.0045 -0.0126 322 TYR 51 N 0.0052 0.0082 -0.0025 323 TYR 51 CA 0.0076 0.0102 -0.0018 324 TYR 51 C 0.0074 0.0092 -0.0059 325 TYR 51 O 0.0042 0.0067 -0.0070 326 TYR 51 CB 0.0061 0.0100 0.0029 327 TYR 51 CG 0.0058 0.0106 0.0072 328 TYR 51 CD1 0.0024 0.0084 0.0085 329 TYR 51 CD2 0.0090 0.0134 0.0098 330 TYR 51 CE1 0.0022 0.0089 0.0123 331 TYR 51 CE2 0.0087 0.0140 0.0137 332 TYR 51 CZ 0.0053 0.0117 0.0149 333 TYR 51 OH 0.0051 0.0123 0.0187 334 TYR 51 H 0.0024 0.0063 -0.0019 335 TYR 51 HA 0.0106 0.0124 -0.0016 336 TYR 51 HB2 0.0032 0.0078 0.0026 337 TYR 51 HB3 0.0080 0.0115 0.0036 338 TYR 51 HD1 -0.0000 0.0062 0.0065 339 TYR 51 HD2 0.0116 0.0152 0.0089 340 TYR 51 HE1 -0.0005 0.0072 0.0133 341 TYR 51 HE2 0.0112 0.0162 0.0157 342 TYR 51 HH 0.0025 0.0107 0.0205 343 PHE 52 N 0.0088 0.0069 -0.0089 344 PHE 52 CA 0.0090 0.0067 -0.0100 345 PHE 52 C 0.0083 0.0072 -0.0131 346 PHE 52 O 0.0067 0.0083 -0.0138 347 PHE 52 CB 0.0077 0.0079 -0.0084 348 PHE 52 CG 0.0083 0.0075 -0.0053 349 PHE 52 CD1 0.0075 0.0082 -0.0034 350 PHE 52 CD2 0.0097 0.0064 -0.0043 351 PHE 52 CE1 0.0081 0.0078 -0.0006 352 PHE 52 CE2 0.0103 0.0061 -0.0015 353 PHE 52 CZ 0.0095 0.0068 0.0004 354 PHE 52 H 0.0073 0.0081 -0.0086 355 PHE 52 HA 0.0108 0.0054 -0.0099 356 PHE 52 HB2 0.0059 0.0092 -0.0086 357 PHE 52 HB3 0.0079 0.0077 -0.0093 358 PHE 52 HD1 0.0064 0.0090 -0.0041 359 PHE 52 HD2 0.0104 0.0059 -0.0058 360 PHE 52 HE1 0.0075 0.0084 0.0009 361 PHE 52 HE2 0.0114 0.0053 -0.0008 362 PHE 52 HZ 0.0100 0.0065 0.0026 363 ILE 53 N 0.0168 0.0096 -0.0212 364 ILE 53 CA 0.0069 -0.0016 -0.0225 365 ILE 53 C -0.0064 -0.0085 -0.0194 366 ILE 53 O -0.0124 -0.0210 -0.0237 367 ILE 53 CB 0.0022 0.0038 -0.0168 368 ILE 53 CG1 -0.0048 0.0162 -0.0055 369 ILE 53 CG2 0.0149 0.0077 -0.0213 370 ILE 53 CD1 -0.0103 0.0218 0.0008 371 ILE 53 H 0.0186 0.0191 -0.0165 372 ILE 53 HA 0.0127 -0.0095 -0.0304 373 ILE 53 HB -0.0057 -0.0049 -0.0176 374 ILE 53 HG12 0.0029 0.0248 -0.0046 375 ILE 53 HG13 -0.0138 0.0127 -0.0027 376 ILE 53 HG21 0.0233 0.0159 -0.0210 377 ILE 53 HG22 0.0190 -0.0014 -0.0290 378 ILE 53 HG23 0.0114 0.0116 -0.0171 379 ILE 53 HD11 -0.0185 0.0135 0.0003 380 ILE 53 HD12 -0.0148 0.0305 0.0085 381 ILE 53 HD13 -0.0014 0.0252 -0.0020 382 ASP 54 N -0.0064 -0.0066 -0.0109 383 ASP 54 CA -0.0154 -0.0171 -0.0049 384 ASP 54 C -0.0116 -0.0132 -0.0076 385 ASP 54 O -0.0051 0.0011 -0.0103 386 ASP 54 CB -0.0291 -0.0134 0.0094 387 ASP 54 CG -0.0393 -0.0247 0.0165 388 ASP 54 OD1 -0.0437 -0.0397 0.0170 389 ASP 54 OD2 -0.0431 -0.0187 0.0216 390 ASP 54 H -0.0021 0.0050 -0.0122 391 ASP 54 HA -0.0152 -0.0307 -0.0085 392 ASP 54 HB2 -0.0314 -0.0157 0.0110 393 ASP 54 HB3 -0.0294 0.0001 0.0130 394 SER 55 N -0.0107 -0.0143 -0.0018 395 SER 55 CA -0.0072 -0.0115 -0.0044 396 SER 55 C -0.0108 -0.0041 -0.0040 397 SER 55 O -0.0076 0.0009 -0.0068 398 SER 55 CB -0.0064 -0.0177 -0.0034 399 SER 55 OG -0.0032 -0.0153 -0.0057 400 SER 55 H -0.0126 -0.0192 0.0003 401 SER 55 HA -0.0021 -0.0104 -0.0074 402 SER 55 HB2 -0.0033 -0.0225 -0.0041 403 SER 55 HB3 -0.0113 -0.0195 -0.0003 404 SER 55 HG -0.0066 -0.0129 -0.0044 405 THR 56 N -0.0093 -0.0138 -0.0010 406 THR 56 CA -0.0147 -0.0070 -0.0061 407 THR 56 C -0.0133 -0.0067 -0.0054 408 THR 56 O -0.0124 0.0011 -0.0074 409 THR 56 CB -0.0248 -0.0101 -0.0104 410 THR 56 OG1 -0.0259 -0.0116 -0.0105 411 THR 56 CG2 -0.0305 -0.0024 -0.0159 412 THR 56 H -0.0126 -0.0196 -0.0008 413 THR 56 HA -0.0126 0.0002 -0.0072 414 THR 56 HB -0.0269 -0.0169 -0.0093 415 THR 56 HG1 -0.0245 -0.0181 -0.0076 416 THR 56 HG21 -0.0376 -0.0048 -0.0189 417 THR 56 HG22 -0.0283 0.0044 -0.0169 418 THR 56 HG23 -0.0297 -0.0013 -0.0158 419 ASN 57 N -0.0083 -0.0031 0.0004 420 ASN 57 CA -0.0051 0.0048 -0.0024 421 ASN 57 C -0.0011 0.0050 -0.0089 422 ASN 57 O 0.0008 0.0111 -0.0100 423 ASN 57 CB -0.0037 0.0070 -0.0040 424 ASN 57 CG -0.0069 0.0107 0.0025 425 ASN 57 OD1 -0.0064 0.0181 0.0041 426 ASN 57 ND2 -0.0102 0.0057 0.0063 427 ASN 57 H -0.0087 -0.0063 -0.0001 428 ASN 57 HA -0.0066 0.0093 0.0016 429 ASN 57 HB2 -0.0037 0.0014 -0.0059 430 ASN 57 HB3 -0.0004 0.0110 -0.0081 431 ASN 57 HD21 -0.0106 -0.0002 0.0051 432 ASN 57 HD22 -0.0122 0.0082 0.0106 433 LEU 58 N 0.0021 0.0006 -0.0064 434 LEU 58 CA 0.0023 0.0013 -0.0045 435 LEU 58 C 0.0016 0.0028 -0.0034 436 LEU 58 O 0.0022 0.0029 -0.0018 437 LEU 58 CB 0.0020 0.0017 -0.0047 438 LEU 58 CG 0.0019 0.0027 -0.0029 439 LEU 58 CD1 0.0007 0.0045 -0.0026 440 LEU 58 CD2 0.0031 0.0020 -0.0012 441 LEU 58 H 0.0016 0.0007 -0.0075 442 LEU 58 HA 0.0034 0.0003 -0.0037 443 LEU 58 HB2 0.0026 0.0005 -0.0052 444 LEU 58 HB3 0.0010 0.0024 -0.0058 445 LEU 58 HG 0.0019 0.0026 -0.0032 446 LEU 58 HD11 0.0007 0.0051 -0.0014 447 LEU 58 HD12 0.0006 0.0047 -0.0024 448 LEU 58 HD13 -0.0001 0.0050 -0.0039 449 LEU 58 HD21 0.0031 0.0022 -0.0008 450 LEU 58 HD22 0.0030 0.0027 0.0000 451 LEU 58 HD23 0.0039 0.0007 -0.0014 452 LYS 59 N -0.0020 0.0002 -0.0043 453 LYS 59 CA -0.0031 -0.0005 -0.0025 454 LYS 59 C 0.0003 -0.0079 -0.0022 455 LYS 59 O -0.0014 -0.0107 0.0017 456 LYS 59 CB -0.0028 0.0055 -0.0066 457 LYS 59 CG 0.0025 0.0056 -0.0134 458 LYS 59 CD 0.0023 0.0120 -0.0171 459 LYS 59 CE 0.0010 0.0119 -0.0153 460 LYS 59 NZ 0.0050 0.0058 -0.0167 461 LYS 59 H -0.0008 0.0037 -0.0080 462 LYS 59 HA -0.0070 -0.0001 0.0022 463 LYS 59 HB2 -0.0039 0.0050 -0.0048 464 LYS 59 HB3 -0.0054 0.0105 -0.0063 465 LYS 59 HG2 0.0038 0.0059 -0.0151 466 LYS 59 HG3 0.0052 0.0008 -0.0138 467 LYS 59 HD2 -0.0006 0.0167 -0.0163 468 LYS 59 HD3 0.0060 0.0123 -0.0220 469 LYS 59 HE2 -0.0026 0.0114 -0.0105 470 LYS 59 HE3 0.0007 0.0167 -0.0179 471 LYS 59 HZ1 0.0085 0.0063 -0.0214 472 LYS 59 HZ2 0.0040 0.0059 -0.0154 473 LYS 59 HZ3 0.0056 0.0009 -0.0144 474 THR 60 N -0.0009 -0.0030 -0.0006 475 THR 60 CA 0.0024 -0.0080 0.0005 476 THR 60 C 0.0043 -0.0121 0.0078 477 THR 60 O 0.0055 -0.0146 0.0118 478 THR 60 CB 0.0062 -0.0119 -0.0064 479 THR 60 OG1 0.0043 -0.0079 -0.0130 480 THR 60 CG2 0.0097 -0.0171 -0.0053 481 THR 60 H -0.0003 -0.0030 -0.0050 482 THR 60 HA 0.0008 -0.0057 0.0012 483 THR 60 HB 0.0076 -0.0139 -0.0068 484 THR 60 HG1 0.0027 -0.0053 -0.0144 485 THR 60 HG21 0.0122 -0.0197 -0.0103 486 THR 60 HG22 0.0081 -0.0150 -0.0047 487 THR 60 HG23 0.0111 -0.0201 -0.0004 488 HIS 61 N 0.0078 -0.0084 0.0018 489 HIS 61 CA 0.0078 -0.0094 0.0036 490 HIS 61 C 0.0056 -0.0098 0.0062 491 HIS 61 O 0.0060 -0.0112 0.0083 492 HIS 61 CB 0.0076 -0.0084 0.0020 493 HIS 61 CG 0.0066 -0.0090 0.0039 494 HIS 61 ND1 0.0081 -0.0106 0.0054 495 HIS 61 CD2 0.0040 -0.0080 0.0045 496 HIS 61 CE1 0.0066 -0.0107 0.0069 497 HIS 61 NE2 0.0041 -0.0092 0.0064 498 HIS 61 H 0.0074 -0.0072 0.0000 499 HIS 61 HA 0.0098 -0.0108 0.0041 500 HIS 61 HB2 0.0096 -0.0088 0.0008 501 HIS 61 HB3 0.0061 -0.0070 0.0007 502 HIS 61 HD1 0.0101 -0.0116 0.0054 503 HIS 61 HD2 0.0022 -0.0067 0.0037 504 HIS 61 HE1 0.0069 -0.0117 0.0085 505 PHE 62 N 0.0053 -0.0072 0.0068 506 PHE 62 CA 0.0041 -0.0081 0.0076 507 PHE 62 C 0.0046 -0.0093 0.0087 508 PHE 62 O 0.0037 -0.0101 0.0095 509 PHE 62 CB 0.0026 -0.0078 0.0072 510 PHE 62 CG 0.0020 -0.0066 0.0061 511 PHE 62 CD1 0.0016 -0.0063 0.0058 512 PHE 62 CD2 0.0018 -0.0058 0.0053 513 PHE 62 CE1 0.0011 -0.0052 0.0047 514 PHE 62 CE2 0.0013 -0.0047 0.0043 515 PHE 62 CZ 0.0009 -0.0044 0.0039 516 PHE 62 H 0.0055 -0.0067 0.0063 517 PHE 62 HA 0.0038 -0.0082 0.0077 518 PHE 62 HB2 0.0027 -0.0079 0.0073 519 PHE 62 HB3 0.0017 -0.0084 0.0078 520 PHE 62 HD1 0.0018 -0.0069 0.0063 521 PHE 62 HD2 0.0021 -0.0061 0.0056 522 PHE 62 HE1 0.0008 -0.0050 0.0045 523 PHE 62 HE2 0.0011 -0.0042 0.0037 524 PHE 62 HZ 0.0005 -0.0035 0.0031 525 ARG 63 N -0.0065 -0.0182 0.0013 526 ARG 63 CA -0.0038 -0.0229 0.0029 527 ARG 63 C -0.0052 -0.0266 0.0041 528 ARG 63 O -0.0031 -0.0307 0.0055 529 ARG 63 CB 0.0021 -0.0221 0.0029 530 ARG 63 CG 0.0037 -0.0193 0.0020 531 ARG 63 CD 0.0095 -0.0185 0.0020 532 ARG 63 NE 0.0123 -0.0232 0.0037 533 ARG 63 CZ 0.0174 -0.0236 0.0041 534 ARG 63 NH1 0.0203 -0.0198 0.0029 535 ARG 63 NH2 0.0196 -0.0280 0.0056 536 ARG 63 H -0.0046 -0.0153 0.0004 537 ARG 63 HA -0.0051 -0.0244 0.0034 538 ARG 63 HB2 0.0034 -0.0200 0.0023 539 ARG 63 HB3 0.0039 -0.0256 0.0042 540 ARG 63 HG2 0.0025 -0.0214 0.0027 541 ARG 63 HG3 0.0018 -0.0157 0.0008 542 ARG 63 HD2 0.0105 -0.0166 0.0015 543 ARG 63 HD3 0.0107 -0.0162 0.0013 544 ARG 63 HE 0.0103 -0.0261 0.0046 545 ARG 63 HH11 0.0187 -0.0164 0.0017 546 ARG 63 HH12 0.0241 -0.0200 0.0032 547 ARG 63 HH21 0.0175 -0.0310 0.0065 548 ARG 63 HH22 0.0234 -0.0286 0.0060 549 SER 64 N 0.0189 0.0026 0.0075 550 SER 64 CA 0.0223 0.0064 0.0073 551 SER 64 C 0.0225 0.0059 0.0066 552 SER 64 O 0.0239 0.0031 0.0034 553 SER 64 CB 0.0262 0.0066 0.0038 554 SER 64 OG 0.0258 0.0059 0.0037 555 SER 64 H 0.0194 0.0000 0.0052 556 SER 64 HA 0.0218 0.0094 0.0099 557 SER 64 HB2 0.0270 0.0039 0.0012 558 SER 64 HB3 0.0287 0.0098 0.0039 559 SER 64 HG 0.0257 0.0086 0.0057 560 LYS 65 N 0.0359 0.0172 0.0046 561 LYS 65 CA 0.0379 0.0147 0.0014 562 LYS 65 C 0.0283 0.0134 0.0030 563 LYS 65 O 0.0292 0.0148 0.0041 564 LYS 65 CB 0.0437 0.0079 -0.0074 565 LYS 65 CG 0.0389 0.0010 -0.0134 566 LYS 65 CD 0.0281 -0.0031 -0.0145 567 LYS 65 CE 0.0238 -0.0099 -0.0203 568 LYS 65 NZ 0.0130 -0.0137 -0.0212 569 LYS 65 H 0.0370 0.0141 0.0011 570 LYS 65 HA 0.0432 0.0195 0.0049 571 LYS 65 HB2 0.0439 0.0060 -0.0095 572 LYS 65 HB3 0.0517 0.0100 -0.0076 573 LYS 65 HG2 0.0440 -0.0030 -0.0191 574 LYS 65 HG3 0.0383 0.0028 -0.0113 575 LYS 65 HD2 0.0227 0.0007 -0.0089 576 LYS 65 HD3 0.0288 -0.0050 -0.0167 577 LYS 65 HE2 0.0289 -0.0138 -0.0260 578 LYS 65 HE3 0.0237 -0.0080 -0.0183 579 LYS 65 HZ1 0.0127 -0.0156 -0.0231 580 LYS 65 HZ2 0.0078 -0.0101 -0.0159 581 LYS 65 HZ3 0.0104 -0.0184 -0.0253 582 ASP 66 N 0.0225 0.0063 -0.0033 583 ASP 66 CA 0.0131 0.0056 -0.0059 584 ASP 66 C 0.0081 0.0129 -0.0056 585 ASP 66 O 0.0008 0.0119 -0.0077 586 ASP 66 CB 0.0106 0.0058 -0.0065 587 ASP 66 CG 0.0012 0.0034 -0.0094 588 ASP 66 OD1 -0.0004 -0.0045 -0.0115 589 ASP 66 OD2 -0.0047 0.0093 -0.0096 590 ASP 66 H 0.0260 0.0081 -0.0020 591 ASP 66 HA 0.0115 -0.0007 -0.0076 592 ASP 66 HB2 0.0150 0.0013 -0.0063 593 ASP 66 HB3 0.0114 0.0124 -0.0048 594 HIS 67 N 0.0027 0.0056 -0.0063 595 HIS 67 CA 0.0028 0.0055 -0.0059 596 HIS 67 C 0.0034 0.0053 -0.0059 597 HIS 67 O 0.0036 0.0052 -0.0060 598 HIS 67 CB 0.0027 0.0055 -0.0052 599 HIS 67 CG 0.0027 0.0055 -0.0047 600 HIS 67 ND1 0.0026 0.0055 -0.0048 601 HIS 67 CD2 0.0027 0.0055 -0.0041 602 HIS 67 CE1 0.0025 0.0056 -0.0042 603 HIS 67 NE2 0.0026 0.0055 -0.0038 604 HIS 67 H 0.0025 0.0056 -0.0062 605 HIS 67 HA 0.0025 0.0056 -0.0060 606 HIS 67 HB2 0.0022 0.0057 -0.0051 607 HIS 67 HB3 0.0029 0.0054 -0.0051 608 HIS 67 HD1 0.0026 0.0056 -0.0052 609 HIS 67 HD2 0.0029 0.0054 -0.0039 610 HIS 67 HE1 0.0024 0.0056 -0.0041 611 LYS 68 N 0.0088 0.0077 -0.0055 612 LYS 68 CA 0.0082 0.0054 -0.0060 613 LYS 68 C 0.0060 0.0022 -0.0076 614 LYS 68 O 0.0043 0.0009 -0.0091 615 LYS 68 CB 0.0110 0.0040 -0.0036 616 LYS 68 CG 0.0132 0.0072 -0.0018 617 LYS 68 CD 0.0161 0.0056 0.0006 618 LYS 68 CE 0.0175 0.0030 0.0019 619 LYS 68 NZ 0.0204 0.0016 0.0043 620 LYS 68 H 0.0108 0.0076 -0.0038 621 LYS 68 HA 0.0071 0.0072 -0.0069 622 LYS 68 HB2 0.0119 0.0020 -0.0028 623 LYS 68 HB3 0.0106 0.0025 -0.0039 624 LYS 68 HG2 0.0124 0.0095 -0.0026 625 LYS 68 HG3 0.0137 0.0088 -0.0014 626 LYS 68 HD2 0.0156 0.0040 0.0003 627 LYS 68 HD3 0.0176 0.0079 0.0018 628 LYS 68 HE2 0.0178 0.0046 0.0021 629 LYS 68 HE3 0.0161 0.0006 0.0007 630 LYS 68 HZ1 0.0201 0.0001 0.0041 631 LYS 68 HZ2 0.0213 -0.0001 0.0051 632 LYS 68 HZ3 0.0218 0.0039 0.0054 633 LYS 69 N -0.0019 0.0164 -0.0103 634 LYS 69 CA -0.0036 0.0148 -0.0064 635 LYS 69 C -0.0051 0.0152 -0.0056 636 LYS 69 O -0.0083 0.0157 -0.0036 637 LYS 69 CB -0.0005 0.0117 -0.0046 638 LYS 69 CG -0.0011 0.0095 -0.0007 639 LYS 69 CD 0.0026 0.0066 0.0003 640 LYS 69 CE 0.0026 0.0041 0.0040 641 LYS 69 NZ 0.0064 0.0015 0.0045 642 LYS 69 H 0.0008 0.0154 -0.0111 643 LYS 69 HA -0.0059 0.0154 -0.0053 644 LYS 69 HB2 -0.0000 0.0114 -0.0045 645 LYS 69 HB3 0.0021 0.0113 -0.0063 646 LYS 69 HG2 -0.0018 0.0099 -0.0008 647 LYS 69 HG3 -0.0035 0.0096 0.0012 648 LYS 69 HD2 0.0030 0.0064 0.0002 649 LYS 69 HD3 0.0049 0.0067 -0.0018 650 LYS 69 HE2 0.0019 0.0044 0.0042 651 LYS 69 HE3 0.0005 0.0039 0.0061 652 LYS 69 HZ1 0.0066 -0.0004 0.0070 653 LYS 69 HZ2 0.0085 0.0017 0.0024 654 LYS 69 HZ3 0.0071 0.0012 0.0043 655 ARG 70 N -0.0151 0.0172 -0.0139 656 ARG 70 CA -0.0140 0.0144 -0.0059 657 ARG 70 C -0.0126 0.0194 -0.0024 658 ARG 70 O -0.0110 0.0209 0.0048 659 ARG 70 CB -0.0152 0.0056 -0.0057 660 ARG 70 CG -0.0142 0.0019 0.0026 661 ARG 70 CD -0.0132 0.0026 0.0074 662 ARG 70 NE -0.0121 -0.0004 0.0155 663 ARG 70 CZ -0.0106 0.0022 0.0217 664 ARG 70 NH1 -0.0099 0.0081 0.0207 665 ARG 70 NH2 -0.0097 -0.0010 0.0289 666 ARG 70 H -0.0164 0.0138 -0.0184 667 ARG 70 HA -0.0132 0.0151 -0.0025 668 ARG 70 HB2 -0.0164 0.0021 -0.0091 669 ARG 70 HB3 -0.0158 0.0052 -0.0087 670 ARG 70 HG2 -0.0152 -0.0043 0.0022 671 ARG 70 HG3 -0.0132 0.0051 0.0056 672 ARG 70 HD2 -0.0123 0.0089 0.0076 673 ARG 70 HD3 -0.0142 -0.0006 0.0044 674 ARG 70 HE -0.0126 -0.0048 0.0163 675 ARG 70 HH11 -0.0105 0.0108 0.0154 676 ARG 70 HH12 -0.0087 0.0102 0.0253 677 ARG 70 HH21 -0.0102 -0.0055 0.0298 678 ARG 70 HH22 -0.0085 0.0007 0.0338 679 LEU 71 N -0.0131 0.0034 -0.0069 680 LEU 71 CA -0.0129 0.0036 -0.0067 681 LEU 71 C -0.0128 0.0033 -0.0069 682 LEU 71 O -0.0129 0.0034 -0.0068 683 LEU 71 CB -0.0125 0.0038 -0.0064 684 LEU 71 CG -0.0125 0.0041 -0.0061 685 LEU 71 CD1 -0.0121 0.0042 -0.0058 686 LEU 71 CD2 -0.0130 0.0044 -0.0060 687 LEU 71 H -0.0129 0.0034 -0.0068 688 LEU 71 HA -0.0132 0.0038 -0.0066 689 LEU 71 HB2 -0.0122 0.0035 -0.0065 690 LEU 71 HB3 -0.0124 0.0039 -0.0062 691 LEU 71 HG -0.0126 0.0039 -0.0063 692 LEU 71 HD11 -0.0120 0.0044 -0.0057 693 LEU 71 HD12 -0.0118 0.0040 -0.0059 694 LEU 71 HD13 -0.0121 0.0044 -0.0057 695 LEU 71 HD21 -0.0133 0.0043 -0.0062 696 LEU 71 HD22 -0.0129 0.0045 -0.0059 697 LEU 71 HD23 -0.0130 0.0046 -0.0058 698 LYS 72 N -0.0099 0.0111 -0.0026 699 LYS 72 CA -0.0121 0.0087 -0.0021 700 LYS 72 C -0.0126 0.0088 -0.0039 701 LYS 72 O -0.0147 0.0072 -0.0054 702 LYS 72 CB -0.0119 0.0076 0.0017 703 LYS 72 CG -0.0141 0.0050 0.0025 704 LYS 72 CD -0.0138 0.0040 0.0063 705 LYS 72 CE -0.0160 0.0014 0.0072 706 LYS 72 NZ -0.0158 0.0004 0.0108 707 LYS 72 H -0.0086 0.0119 -0.0007 708 LYS 72 HA -0.0136 0.0075 -0.0030 709 LYS 72 HB2 -0.0115 0.0076 0.0029 710 LYS 72 HB3 -0.0104 0.0088 0.0026 711 LYS 72 HG2 -0.0144 0.0051 0.0015 712 LYS 72 HG3 -0.0157 0.0037 0.0015 713 LYS 72 HD2 -0.0135 0.0040 0.0073 714 LYS 72 HD3 -0.0123 0.0053 0.0073 715 LYS 72 HE2 -0.0163 0.0015 0.0062 716 LYS 72 HE3 -0.0176 0.0002 0.0060 717 LYS 72 HZ1 -0.0143 0.0016 0.0119 718 LYS 72 HZ2 -0.0156 0.0004 0.0117 719 LYS 72 HZ3 -0.0174 -0.0014 0.0113 720 GLN 73 N -0.0097 0.0281 -0.0008 721 GLN 73 CA -0.0021 0.0291 0.0044 722 GLN 73 C 0.0034 0.0227 0.0081 723 GLN 73 O 0.0096 0.0252 0.0124 724 GLN 73 CB -0.0021 0.0274 0.0044 725 GLN 73 CG -0.0070 0.0338 0.0011 726 GLN 73 CD -0.0071 0.0316 0.0010 727 GLN 73 OE1 -0.0062 0.0237 0.0015 728 GLN 73 NE2 -0.0080 0.0384 0.0004 729 GLN 73 H -0.0136 0.0255 -0.0035 730 GLN 73 HA -0.0004 0.0360 0.0056 731 GLN 73 HB2 -0.0040 0.0206 0.0031 732 GLN 73 HB3 0.0036 0.0280 0.0083 733 GLN 73 HG2 -0.0049 0.0406 0.0025 734 GLN 73 HG3 -0.0126 0.0334 -0.0028 735 GLN 73 HE21 -0.0086 0.0444 0.0001 736 GLN 73 HE22 -0.0082 0.0374 0.0003 737 LEU 74 N -0.0034 0.0200 -0.0019 738 LEU 74 CA 0.0021 0.0110 0.0059 739 LEU 74 C 0.0084 0.0110 0.0093 740 LEU 74 O 0.0152 0.0054 0.0160 741 LEU 74 CB -0.0061 0.0003 0.0075 742 LEU 74 CG -0.0016 -0.0100 0.0156 743 LEU 74 CD1 0.0066 -0.0090 0.0193 744 LEU 74 CD2 -0.0109 -0.0199 0.0161 745 LEU 74 H -0.0113 0.0186 -0.0053 746 LEU 74 HA 0.0080 0.0122 0.0084 747 LEU 74 HB2 -0.0110 0.0011 0.0045 748 LEU 74 HB3 -0.0114 -0.0004 0.0051 749 LEU 74 HG 0.0026 -0.0111 0.0184 750 LEU 74 HD11 0.0095 -0.0165 0.0250 751 LEU 74 HD12 0.0026 -0.0077 0.0165 752 LEU 74 HD13 0.0134 -0.0023 0.0193 753 LEU 74 HD21 -0.0153 -0.0190 0.0133 754 LEU 74 HD22 -0.0076 -0.0271 0.0218 755 LEU 74 HD23 -0.0165 -0.0208 0.0136 756 SER 75 N -0.0012 0.0067 -0.0076 757 SER 75 CA -0.0004 -0.0094 -0.0068 758 SER 75 C -0.0086 -0.0279 -0.0014 759 SER 75 O -0.0053 -0.0442 -0.0019 760 SER 75 CB 0.0187 -0.0132 -0.0159 761 SER 75 OG 0.0196 -0.0277 -0.0154 762 SER 75 H -0.0102 0.0170 -0.0040 763 SER 75 HA -0.0087 -0.0047 -0.0031 764 SER 75 HB2 0.0235 0.0002 -0.0193 765 SER 75 HB3 0.0268 -0.0178 -0.0197 766 SER 75 HG 0.0269 -0.0230 -0.0193 767 VAL 76 N -0.0141 -0.0066 -0.0086 768 VAL 76 CA -0.0153 -0.0089 -0.0086 769 VAL 76 C -0.0184 -0.0114 -0.0069 770 VAL 76 O -0.0189 -0.0147 -0.0081 771 VAL 76 CB -0.0155 -0.0066 -0.0072 772 VAL 76 CG1 -0.0168 -0.0089 -0.0071 773 VAL 76 CG2 -0.0125 -0.0040 -0.0088 774 VAL 76 H -0.0137 -0.0040 -0.0077 775 VAL 76 HA -0.0139 -0.0105 -0.0108 776 VAL 76 HB -0.0168 -0.0050 -0.0051 777 VAL 76 HG11 -0.0169 -0.0072 -0.0062 778 VAL 76 HG12 -0.0155 -0.0106 -0.0093 779 VAL 76 HG13 -0.0190 -0.0106 -0.0059 780 VAL 76 HG21 -0.0127 -0.0024 -0.0078 781 VAL 76 HG22 -0.0116 -0.0023 -0.0088 782 VAL 76 HG23 -0.0111 -0.0056 -0.0110 783 GLU 77 N -0.0118 -0.0097 -0.0069 784 GLU 77 CA -0.0102 -0.0118 -0.0050 785 GLU 77 C -0.0100 -0.0185 -0.0014 786 GLU 77 O -0.0056 -0.0202 0.0017 787 GLU 77 CB -0.0043 -0.0079 -0.0040 788 GLU 77 CG 0.0011 -0.0070 -0.0018 789 GLU 77 CD 0.0069 -0.0035 -0.0008 790 GLU 77 OE1 0.0075 0.0020 -0.0034 791 GLU 77 OE2 0.0109 -0.0062 0.0027 792 GLU 77 H -0.0101 -0.0113 -0.0052 793 GLU 77 HA -0.0138 -0.0114 -0.0070 794 GLU 77 HB2 -0.0030 -0.0102 -0.0022 795 GLU 77 HB3 -0.0050 -0.0036 -0.0067 796 GLU 77 HG2 0.0000 -0.0046 -0.0036 797 GLU 77 HG3 0.0018 -0.0114 0.0008 798 PRO 78 N -0.0087 -0.0176 0.0026 799 PRO 78 CA -0.0098 -0.0330 0.0123 800 PRO 78 C 0.0015 -0.0333 0.0143 801 PRO 78 O -0.0008 -0.0244 0.0083 802 PRO 78 CB -0.0295 -0.0365 0.0112 803 PRO 78 CG -0.0388 -0.0249 0.0022 804 PRO 78 CD -0.0258 -0.0112 -0.0044 805 PRO 78 HA -0.0055 -0.0409 0.0181 806 PRO 78 HB2 -0.0313 -0.0356 0.0103 807 PRO 78 HB3 -0.0340 -0.0478 0.0177 808 PRO 78 HG2 -0.0505 -0.0225 -0.0013 809 PRO 78 HG3 -0.0422 -0.0290 0.0042 810 PRO 78 HD2 -0.0267 -0.0042 -0.0090 811 PRO 78 HD3 -0.0280 -0.0048 -0.0089 812 TYR 79 N 0.0430 -0.0212 -0.0030 813 TYR 79 CA 0.0147 -0.0227 0.0044 814 TYR 79 C 0.0040 -0.0396 0.0031 815 TYR 79 O 0.0003 -0.0637 -0.0020 816 TYR 79 CB 0.0031 -0.0311 0.0055 817 TYR 79 CG 0.0104 -0.0122 0.0083 818 TYR 79 CD1 0.0327 -0.0145 0.0016 819 TYR 79 CD2 -0.0048 0.0082 0.0177 820 TYR 79 CE1 0.0395 0.0029 0.0041 821 TYR 79 CE2 0.0018 0.0257 0.0203 822 TYR 79 CZ 0.0241 0.0230 0.0135 823 TYR 79 OH 0.0309 0.0407 0.0161 824 TYR 79 H 0.0519 -0.0046 -0.0012 825 TYR 79 HA 0.0094 -0.0032 0.0109 826 TYR 79 HB2 0.0098 -0.0499 -0.0011 827 TYR 79 HB3 -0.0177 -0.0326 0.0108 828 TYR 79 HD1 0.0447 -0.0303 -0.0058 829 TYR 79 HD2 -0.0223 0.0102 0.0230 830 TYR 79 HE1 0.0569 0.0006 -0.0013 831 TYR 79 HE2 -0.0103 0.0415 0.0277 832 TYR 79 HH 0.0291 0.0576 0.0209 833 SER 80 N 0.0402 -0.0175 -0.0069 834 SER 80 CA 0.0370 -0.0170 -0.0031 835 SER 80 C 0.0360 -0.0170 -0.0016 836 SER 80 O 0.0384 -0.0177 -0.0029 837 SER 80 CB 0.0330 -0.0147 -0.0047 838 SER 80 OG 0.0297 -0.0141 -0.0011 839 SER 80 H 0.0394 -0.0163 -0.0098 840 SER 80 HA 0.0380 -0.0182 -0.0004 841 SER 80 HB2 0.0339 -0.0147 -0.0061 842 SER 80 HB3 0.0318 -0.0134 -0.0074 843 SER 80 HG 0.0305 -0.0150 0.0005 844 GLN 81 N 0.0215 -0.0195 -0.0006 845 GLN 81 CA 0.0044 -0.0185 0.0062 846 GLN 81 C -0.0013 0.0000 0.0053 847 GLN 81 O 0.0061 0.0119 0.0003 848 GLN 81 CB -0.0045 -0.0248 0.0109 849 GLN 81 CG -0.0222 -0.0265 0.0184 850 GLN 81 CD -0.0317 -0.0312 0.0230 851 GLN 81 OE1 -0.0279 -0.0267 0.0207 852 GLN 81 NE2 -0.0439 -0.0403 0.0295 853 GLN 81 H 0.0263 -0.0214 -0.0022 854 GLN 81 HA 0.0019 -0.0264 0.0086 855 GLN 81 HB2 0.0009 -0.0371 0.0108 856 GLN 81 HB3 -0.0033 -0.0158 0.0089 857 GLN 81 HG2 -0.0273 -0.0144 0.0184 858 GLN 81 HG3 -0.0234 -0.0361 0.0205 859 GLN 81 HE21 -0.0462 -0.0434 0.0310 860 GLN 81 HE22 -0.0505 -0.0434 0.0327 861 GLU 82 N -0.0069 -0.0112 0.0085 862 GLU 82 CA -0.0199 0.0174 -0.0015 863 GLU 82 C 0.0062 0.0222 -0.0223 864 GLU 82 O 0.0008 0.0438 -0.0329 865 GLU 82 CB -0.0374 0.0473 -0.0094 866 GLU 82 CG -0.0526 0.0778 -0.0192 867 GLU 82 CD -0.0701 0.1046 -0.0250 868 GLU 82 OE1 -0.0549 0.1187 -0.0446 869 GLU 82 OE2 -0.0997 0.1124 -0.0101 870 GLU 82 H -0.0112 -0.0307 0.0243 871 GLU 82 HA -0.0366 0.0114 0.0137 872 GLU 82 HB2 -0.0559 0.0420 0.0066 873 GLU 82 HB3 -0.0205 0.0516 -0.0237 874 GLU 82 HG2 -0.0343 0.0846 -0.0360 875 GLU 82 HG3 -0.0691 0.0735 -0.0052 876 GLU 83 N 0.0065 0.0041 0.0013 877 GLU 83 CA 0.0003 0.0067 0.0073 878 GLU 83 C -0.0124 0.0011 0.0002 879 GLU 83 O -0.0244 0.0025 0.0054 880 GLU 83 CB 0.0116 0.0087 0.0083 881 GLU 83 CG 0.0063 0.0115 0.0144 882 GLU 83 CD 0.0182 0.0142 0.0163 883 GLU 83 OE1 0.0235 0.0098 0.0074 884 GLU 83 OE2 0.0224 0.0209 0.0270 885 GLU 83 H 0.0091 -0.0006 -0.0076 886 GLU 83 HA -0.0037 0.0115 0.0165 887 GLU 83 HB2 0.0200 0.0129 0.0136 888 GLU 83 HB3 0.0160 0.0040 -0.0010 889 GLU 83 HG2 -0.0012 0.0072 0.0085 890 GLU 83 HG3 0.0009 0.0159 0.0233 891 ALA 84 N -0.0071 -0.0145 0.0197 892 ALA 84 CA -0.0439 -0.0281 -0.0054 893 ALA 84 C -0.0446 -0.0310 -0.0265 894 ALA 84 O -0.0652 -0.0409 -0.0577 895 ALA 84 CB -0.0454 -0.0327 -0.0372 896 ALA 84 H 0.0188 -0.0091 0.0051 897 ALA 84 HA -0.0699 -0.0326 0.0162 898 ALA 84 HB1 -0.0722 -0.0426 -0.0556 899 ALA 84 HB2 -0.0183 -0.0277 -0.0577 900 ALA 84 HB3 -0.0476 -0.0311 -0.0206 901 GLU 85 N 0.0187 -0.0064 0.0043 902 GLU 85 CA 0.0159 -0.0065 0.0104 903 GLU 85 C 0.0108 -0.0035 0.0076 904 GLU 85 O 0.0054 -0.0007 0.0064 905 GLU 85 CB 0.0127 -0.0062 0.0157 906 GLU 85 CG 0.0106 -0.0070 0.0230 907 GLU 85 CD 0.0045 -0.0043 0.0235 908 GLU 85 OE1 -0.0011 -0.0019 0.0245 909 GLU 85 OE2 0.0053 -0.0045 0.0229 910 GLU 85 H 0.0167 -0.0044 -0.0000 911 GLU 85 HA 0.0196 -0.0088 0.0127 912 GLU 85 HB2 0.0161 -0.0080 0.0163 913 GLU 85 HB3 0.0083 -0.0037 0.0136 914 GLU 85 HG2 0.0148 -0.0091 0.0236 915 GLU 85 HG3 0.0102 -0.0077 0.0268 916 ARG 86 N 0.0272 -0.0009 -0.0165 917 ARG 86 CA 0.0329 -0.0041 -0.0115 918 ARG 86 C 0.0344 -0.0037 -0.0165 919 ARG 86 O 0.0286 -0.0004 -0.0212 920 ARG 86 CB 0.0294 -0.0049 -0.0007 921 ARG 86 CG 0.0191 -0.0012 0.0013 922 ARG 86 CD 0.0154 0.0011 -0.0027 923 ARG 86 NE 0.0054 0.0048 -0.0012 924 ARG 86 CZ 0.0000 0.0078 -0.0055 925 ARG 86 NH1 0.0035 0.0076 -0.0112 926 ARG 86 NH2 -0.0089 0.0111 -0.0039 927 ARG 86 H 0.0211 0.0019 -0.0180 928 ARG 86 HA 0.0395 -0.0068 -0.0117 929 ARG 86 HB2 0.0327 -0.0069 0.0022 930 ARG 86 HB3 0.0314 -0.0065 0.0031 931 ARG 86 HG2 0.0175 -0.0021 0.0090 932 ARG 86 HG3 0.0156 0.0008 -0.0017 933 ARG 86 HD2 0.0174 0.0018 -0.0103 934 ARG 86 HD3 0.0182 -0.0008 0.0009 935 ARG 86 HE 0.0027 0.0050 0.0032 936 ARG 86 HH11 0.0102 0.0052 -0.0127 937 ARG 86 HH12 -0.0004 0.0098 -0.0144 938 ARG 86 HH21 -0.0118 0.0114 0.0005 939 ARG 86 HH22 -0.0132 0.0135 -0.0069 940 ALA 87 N -0.0134 0.0207 0.0142 941 ALA 87 CA -0.0062 0.0196 0.0003 942 ALA 87 C -0.0093 0.0172 0.0218 943 ALA 87 O 0.0055 0.0096 0.0218 944 ALA 87 CB 0.0211 0.0078 -0.0115 945 ALA 87 H -0.0013 0.0123 0.0259 946 ALA 87 HA -0.0181 0.0289 -0.0163 947 ALA 87 HB1 0.0329 -0.0014 0.0051 948 ALA 87 HB2 0.0231 0.0097 -0.0267 949 ALA 87 HB3 0.0268 0.0067 -0.0213 950 ALA 88 N 0.0165 0.0106 -0.0104 951 ALA 88 CA 0.0065 0.0369 0.0090 952 ALA 88 C -0.0189 0.0346 0.0110 953 ALA 88 O -0.0115 0.0375 0.0119 954 ALA 88 CB 0.0355 0.0564 0.0183 955 ALA 88 H 0.0219 -0.0010 -0.0191 956 ALA 88 HA -0.0046 0.0446 0.0158 957 ALA 88 HB1 0.0465 0.0491 0.0118 958 ALA 88 HB2 0.0533 0.0577 0.0167 959 ALA 88 HB3 0.0269 0.0763 0.0331 960 GLY 89 N 0.0146 0.0023 -0.0020 961 GLY 89 CA -0.0098 0.0158 -0.0051 962 GLY 89 C -0.0472 0.0150 -0.0185 963 GLY 89 O -0.0578 0.0304 -0.0160 964 GLY 89 H 0.0071 -0.0120 -0.0103 965 GLY 89 HA2 -0.0056 0.0422 0.0070 966 GLY 89 HA3 -0.0053 0.0003 -0.0098 967 MET 90 N 0.0213 -0.0104 0.0329 968 MET 90 CA 0.0119 -0.0098 0.0157 969 MET 90 C 0.0040 0.0049 0.0156 970 MET 90 O 0.0055 0.0039 0.0173 971 MET 90 CB 0.0158 -0.0266 0.0059 972 MET 90 CG 0.0069 -0.0287 -0.0133 973 MET 90 SD -0.0044 -0.0141 -0.0200 974 MET 90 CE -0.0119 -0.0218 -0.0422 975 MET 90 H 0.0222 -0.0090 0.0360 976 MET 90 HA 0.0075 -0.0074 0.0097 977 MET 90 HB2 0.0223 -0.0366 0.0080 978 MET 90 HB3 0.0193 -0.0280 0.0111 979 MET 90 HG2 0.0034 -0.0273 -0.0185 980 MET 90 HG3 0.0110 -0.0412 -0.0185 981 MET 90 HE1 -0.0145 -0.0214 -0.0468 982 MET 90 HE2 -0.0190 -0.0142 -0.0480 983 MET 90 HE3 -0.0066 -0.0345 -0.0451 984 GLY 91 N -0.0270 0.0381 -0.0434 985 GLY 91 CA -0.0251 0.0130 -0.0268 986 GLY 91 C -0.0257 -0.0192 0.0183 987 GLY 91 O -0.0183 -0.0652 0.0161 988 GLY 91 H -0.0227 0.0180 -0.0528 989 GLY 91 HA2 -0.0305 0.0405 -0.0173 990 GLY 91 HA3 -0.0179 -0.0105 -0.0565 991 SER 92 N 0.0138 -0.0169 0.0060 992 SER 92 CA 0.0067 -0.0230 0.0100 993 SER 92 C 0.0039 -0.0192 0.0237 994 SER 92 O 0.0093 -0.0108 0.0282 995 SER 92 CB 0.0095 -0.0232 0.0031 996 SER 92 OG 0.0121 -0.0267 -0.0097 997 SER 92 H 0.0195 -0.0098 0.0068 998 SER 92 HA 0.0010 -0.0305 0.0080 999 SER 92 HB2 0.0151 -0.0157 0.0051 1000 SER 92 HB3 0.0040 -0.0281 0.0058 1001 SER 92 HG 0.0125 -0.0267 -0.0107 1002 TYR 93 N 0.0046 -0.0123 0.0061 1003 TYR 93 CA -0.0009 -0.0086 0.0042 1004 TYR 93 C -0.0060 -0.0109 0.0018 1005 TYR 93 O -0.0047 -0.0139 0.0020 1006 TYR 93 CB 0.0000 -0.0012 0.0055 1007 TYR 93 CG -0.0050 0.0033 0.0039 1008 TYR 93 CD1 -0.0047 0.0054 0.0043 1009 TYR 93 CD2 -0.0099 0.0055 0.0021 1010 TYR 93 CE1 -0.0092 0.0095 0.0029 1011 TYR 93 CE2 -0.0144 0.0096 0.0007 1012 TYR 93 CZ -0.0141 0.0116 0.0011 1013 TYR 93 OH -0.0186 0.0156 -0.0004 1014 TYR 93 H 0.0062 -0.0114 0.0068 1015 TYR 93 HA -0.0018 -0.0096 0.0037 1016 TYR 93 HB2 0.0042 0.0000 0.0074 1017 TYR 93 HB3 0.0004 -0.0002 0.0058 1018 TYR 93 HD1 -0.0009 0.0038 0.0057 1019 TYR 93 HD2 -0.0101 0.0039 0.0018 1020 TYR 93 HE1 -0.0090 0.0111 0.0032 1021 TYR 93 HE2 -0.0182 0.0112 -0.0007 1022 TYR 93 HH -0.0224 0.0137 -0.0022 1023 VAL 94 N 0.0272 0.0083 -0.0000 1024 VAL 94 CA 0.0210 0.0042 -0.0001 1025 VAL 94 C 0.0199 0.0039 0.0000 1026 VAL 94 O 0.0183 0.0092 0.0014 1027 VAL 94 CB 0.0143 0.0065 0.0013 1028 VAL 94 CG1 0.0128 0.0140 0.0032 1029 VAL 94 CG2 0.0080 0.0020 0.0012 1030 VAL 94 H 0.0267 0.0124 0.0010 1031 VAL 94 HA 0.0221 -0.0010 -0.0014 1032 VAL 94 HB 0.0152 0.0059 0.0011 1033 VAL 94 HG11 0.0081 0.0154 0.0041 1034 VAL 94 HG12 0.0120 0.0149 0.0035 1035 VAL 94 HG13 0.0171 0.0172 0.0033 1036 VAL 94 HG21 0.0071 0.0023 0.0014 1037 VAL 94 HG22 0.0035 0.0037 0.0022 1038 VAL 94 HG23 0.0090 -0.0033 -0.0001