1 ASP 28 N -0.1138 0.0139 -0.0012 2 ASP 28 CA -0.0426 0.0310 -0.0003 3 ASP 28 C -0.0144 0.0302 0.0031 4 ASP 28 O -0.0278 -0.0150 0.0196 5 ASP 28 CB -0.0059 -0.0141 0.0216 6 ASP 28 CG 0.0680 0.0008 0.0237 7 ASP 28 OD1 0.0875 0.0504 0.0061 8 ASP 28 OD2 0.1074 -0.0378 0.0433 9 ASP 28 H -0.1344 0.0133 -0.0032 10 ASP 28 HA -0.0372 0.0777 -0.0182 11 ASP 28 HB2 -0.0265 -0.0127 0.0188 12 ASP 28 HB3 -0.0130 -0.0608 0.0394 13 PRO 29 N 0.0558 0.0332 0.0276 14 PRO 29 CA -0.0060 0.0285 0.0209 15 PRO 29 C -0.0458 0.0716 0.0409 16 PRO 29 O -0.0427 0.0818 0.0465 17 PRO 29 CB -0.0238 -0.0252 -0.0089 18 PRO 29 CG 0.0331 -0.0543 -0.0203 19 PRO 29 CD 0.0775 -0.0136 0.0044 20 PRO 29 HA -0.0102 0.0294 0.0210 21 PRO 29 HB2 -0.0509 -0.0187 -0.0073 22 PRO 29 HB3 -0.0495 -0.0450 -0.0212 23 PRO 29 HG2 0.0272 -0.0803 -0.0345 24 PRO 29 HG3 0.0475 -0.0766 -0.0311 25 PRO 29 HD2 0.0779 -0.0061 0.0084 26 PRO 29 HD3 0.1209 -0.0268 0.0005 27 ASN 30 N 0.0115 0.0043 0.0430 28 ASN 30 CA 0.0147 0.0043 0.0219 29 ASN 30 C -0.0013 0.0029 -0.0001 30 ASN 30 O -0.0212 0.0014 -0.0043 31 ASN 30 CB 0.0109 0.0041 0.0295 32 ASN 30 CG 0.0133 0.0041 0.0086 33 ASN 30 OD1 0.0333 0.0056 0.0035 34 ASN 30 ND2 -0.0067 0.0025 -0.0030 35 ASN 30 H 0.0261 0.0054 0.0506 36 ASN 30 HA 0.0335 0.0057 0.0162 37 ASN 30 HB2 0.0244 0.0052 0.0435 38 ASN 30 HB3 -0.0071 0.0028 0.0376 39 ASN 30 HD21 -0.0223 0.0014 0.0022 40 ASN 30 HD22 -0.0054 0.0025 -0.0166 41 ALA 31 N 0.0052 -0.0047 -0.0220 42 ALA 31 CA 0.0035 -0.0000 -0.0277 43 ALA 31 C 0.0013 -0.0134 -0.0393 44 ALA 31 O -0.0024 -0.0131 -0.0543 45 ALA 31 CB 0.0006 0.0173 -0.0361 46 ALA 31 H 0.0042 -0.0141 -0.0278 47 ALA 31 HA 0.0061 0.0009 -0.0169 48 ALA 31 HB1 -0.0004 0.0207 -0.0396 49 ALA 31 HB2 -0.0020 0.0166 -0.0469 50 ALA 31 HB3 0.0022 0.0268 -0.0277 51 GLU 32 N 0.0009 -0.0678 -0.0472 52 GLU 32 CA 0.0119 -0.0360 -0.0303 53 GLU 32 C 0.0304 -0.0124 -0.0143 54 GLU 32 O 0.0495 0.0118 0.0022 55 GLU 32 CB -0.0223 -0.0137 -0.0331 56 GLU 32 CG -0.0532 0.0014 -0.0376 57 GLU 32 CD -0.0856 0.0244 -0.0394 58 GLU 32 OE1 -0.0842 0.0585 -0.0250 59 GLU 32 OE2 -0.1126 0.0090 -0.0551 60 GLU 32 H -0.0257 -0.0664 -0.0558 61 GLU 32 HA 0.0314 -0.0466 -0.0279 62 GLU 32 HB2 -0.0128 0.0094 -0.0203 63 GLU 32 HB3 -0.0342 -0.0315 -0.0445 64 GLU 32 HG2 -0.0640 -0.0215 -0.0507 65 GLU 32 HG3 -0.0412 0.0184 -0.0265 66 PHE 33 N 0.0134 0.0082 -0.0035 67 PHE 33 CA 0.0164 0.0055 -0.0000 68 PHE 33 C 0.0208 -0.0003 0.0014 69 PHE 33 O 0.0214 -0.0025 -0.0012 70 PHE 33 CB 0.0156 0.0045 -0.0044 71 PHE 33 CG 0.0154 0.0012 -0.0114 72 PHE 33 CD1 0.0190 -0.0048 -0.0128 73 PHE 33 CD2 0.0116 0.0042 -0.0166 74 PHE 33 CE1 0.0188 -0.0078 -0.0191 75 PHE 33 CE2 0.0114 0.0013 -0.0230 76 PHE 33 CZ 0.0150 -0.0048 -0.0243 77 PHE 33 H 0.0128 0.0067 -0.0082 78 PHE 33 HA 0.0161 0.0084 0.0046 79 PHE 33 HB2 0.0181 0.0020 -0.0021 80 PHE 33 HB3 0.0126 0.0087 -0.0048 81 PHE 33 HD1 0.0220 -0.0072 -0.0088 82 PHE 33 HD2 0.0087 0.0090 -0.0157 83 PHE 33 HE1 0.0217 -0.0125 -0.0201 84 PHE 33 HE2 0.0084 0.0036 -0.0270 85 PHE 33 HZ 0.0149 -0.0071 -0.0293 86 ASP 34 N 0.0204 -0.0563 0.0269 87 ASP 34 CA 0.0151 -0.0578 0.0295 88 ASP 34 C 0.0088 -0.0586 0.0278 89 ASP 34 O 0.0079 -0.0577 0.0224 90 ASP 34 CB 0.0148 -0.0573 0.0265 91 ASP 34 CG 0.0098 -0.0588 0.0296 92 ASP 34 OD1 0.0040 -0.0595 0.0281 93 ASP 34 OD2 0.0116 -0.0592 0.0335 94 ASP 34 H 0.0211 -0.0553 0.0223 95 ASP 34 HA 0.0158 -0.0586 0.0346 96 ASP 34 HB2 0.0195 -0.0565 0.0271 97 ASP 34 HB3 0.0136 -0.0565 0.0214 98 PRO 35 N 0.0183 -0.0078 0.0166 99 PRO 35 CA 0.0348 0.0114 0.0347 100 PRO 35 C 0.0267 0.0222 0.0259 101 PRO 35 O 0.0391 0.0394 0.0395 102 PRO 35 CB 0.0388 0.0420 0.0392 103 PRO 35 CG 0.0161 0.0483 0.0145 104 PRO 35 CD 0.0056 0.0141 0.0029 105 PRO 35 HA 0.0505 -0.0022 0.0517 106 PRO 35 HB2 0.0442 0.0628 0.0452 107 PRO 35 HB3 0.0515 0.0364 0.0530 108 PRO 35 HG2 0.0056 0.0630 0.0032 109 PRO 35 HG3 0.0182 0.0612 0.0169 110 PRO 35 HD2 -0.0123 0.0145 -0.0166 111 PRO 35 HD3 0.0083 0.0060 0.0058 112 ASP 36 N -0.0204 -0.0420 0.0934 113 ASP 36 CA -0.0504 -0.0017 0.0572 114 ASP 36 C -0.0433 -0.0192 0.0246 115 ASP 36 O -0.0637 0.0111 0.0143 116 ASP 36 CB -0.0656 0.0138 0.0124 117 ASP 36 CG -0.0961 0.0542 -0.0280 118 ASP 36 OD1 -0.1218 0.0988 -0.0071 119 ASP 36 OD2 -0.0948 0.0416 -0.0824 120 ASP 36 H -0.0043 -0.0712 0.0734 121 ASP 36 HA -0.0674 0.0310 0.0872 122 ASP 36 HB2 -0.0718 0.0284 0.0376 123 ASP 36 HB3 -0.0478 -0.0197 -0.0151 124 LEU 37 N -0.0058 -0.0240 -0.0010 125 LEU 37 CA -0.0033 -0.0251 -0.0095 126 LEU 37 C -0.0018 -0.0268 -0.0055 127 LEU 37 O 0.0020 -0.0310 0.0024 128 LEU 37 CB 0.0043 -0.0308 -0.0162 129 LEU 37 CG 0.0032 -0.0290 -0.0237 130 LEU 37 CD1 -0.0029 -0.0229 -0.0317 131 LEU 37 CD2 0.0008 -0.0276 -0.0177 132 LEU 37 H -0.0017 -0.0278 0.0029 133 LEU 37 HA -0.0083 -0.0203 -0.0146 134 LEU 37 HB2 0.0087 -0.0351 -0.0106 135 LEU 37 HB3 0.0069 -0.0324 -0.0208 136 LEU 37 HG 0.0090 -0.0333 -0.0281 137 LEU 37 HD11 -0.0035 -0.0218 -0.0369 138 LEU 37 HD12 -0.0088 -0.0184 -0.0276 139 LEU 37 HD13 -0.0008 -0.0241 -0.0363 140 LEU 37 HD21 0.0001 -0.0263 -0.0232 141 LEU 37 HD22 0.0055 -0.0322 -0.0124 142 LEU 37 HD23 -0.0049 -0.0234 -0.0130 143 PRO 38 N -0.0020 -0.0149 -0.0102 144 PRO 38 CA 0.0007 -0.0154 -0.0133 145 PRO 38 C 0.0053 -0.0143 -0.0141 146 PRO 38 O 0.0061 -0.0144 -0.0148 147 PRO 38 CB -0.0016 -0.0178 -0.0173 148 PRO 38 CG -0.0061 -0.0186 -0.0158 149 PRO 38 CD -0.0058 -0.0169 -0.0120 150 PRO 38 HA 0.0007 -0.0150 -0.0123 151 PRO 38 HB2 0.0001 -0.0182 -0.0194 152 PRO 38 HB3 -0.0016 -0.0185 -0.0189 153 PRO 38 HG2 -0.0074 -0.0200 -0.0182 154 PRO 38 HG3 -0.0082 -0.0189 -0.0150 155 PRO 38 HD2 -0.0052 -0.0171 -0.0128 156 PRO 38 HD3 -0.0087 -0.0168 -0.0098 157 GLY 39 N 0.0142 -0.0151 -0.0233 158 GLY 39 CA 0.0090 -0.0080 -0.0239 159 GLY 39 C 0.0083 -0.0067 -0.0234 160 GLY 39 O 0.0052 -0.0005 -0.0212 161 GLY 39 H 0.0144 -0.0188 -0.0281 162 GLY 39 HA2 0.0057 -0.0071 -0.0292 163 GLY 39 HA3 0.0088 -0.0042 -0.0190 164 GLY 40 N 0.0146 -0.0244 -0.0100 165 GLY 40 CA 0.0160 -0.0227 -0.0056 166 GLY 40 C 0.0177 -0.0209 0.0005 167 GLY 40 O 0.0191 -0.0188 0.0045 168 GLY 40 H 0.0135 -0.0288 -0.0111 169 GLY 40 HA2 0.0154 -0.0267 -0.0047 170 GLY 40 HA3 0.0163 -0.0188 -0.0075 171 GLY 41 N 0.0103 -0.0100 -0.0102 172 GLY 41 CA 0.0123 -0.0078 -0.0045 173 GLY 41 C 0.0127 -0.0005 -0.0043 174 GLY 41 O 0.0144 0.0023 0.0005 175 GLY 41 H 0.0092 -0.0120 -0.0133 176 GLY 41 HA2 0.0123 -0.0097 -0.0040 177 GLY 41 HA3 0.0133 -0.0097 -0.0008 178 LEU 42 N 0.0041 0.0057 0.0069 179 LEU 42 CA 0.0073 0.0281 0.0045 180 LEU 42 C 0.0087 0.0279 -0.0036 181 LEU 42 O 0.0109 0.0453 -0.0036 182 LEU 42 CB 0.0118 0.0404 -0.0123 183 LEU 42 CG 0.0111 0.0426 -0.0069 184 LEU 42 CD1 0.0159 0.0547 -0.0253 185 LEU 42 CD2 0.0087 0.0546 0.0155 186 LEU 42 H 0.0056 -0.0014 -0.0066 187 LEU 42 HA 0.0057 0.0371 0.0203 188 LEU 42 HB2 0.0135 0.0315 -0.0283 189 LEU 42 HB3 0.0141 0.0570 -0.0140 190 LEU 42 HG 0.0089 0.0259 -0.0060 191 LEU 42 HD11 0.0153 0.0563 -0.0211 192 LEU 42 HD12 0.0182 0.0713 -0.0272 193 LEU 42 HD13 0.0174 0.0452 -0.0409 194 LEU 42 HD21 0.0108 0.0712 0.0151 195 LEU 42 HD22 0.0083 0.0561 0.0187 196 LEU 42 HD23 0.0052 0.0450 0.0286 197 HIS 43 N -0.0011 0.0131 0.0002 198 HIS 43 CA -0.0011 0.0115 0.0039 199 HIS 43 C 0.0004 0.0099 0.0066 200 HIS 43 O 0.0040 0.0091 0.0065 201 HIS 43 CB 0.0017 0.0109 0.0038 202 HIS 43 CG 0.0009 0.0124 0.0008 203 HIS 43 ND1 -0.0020 0.0128 0.0014 204 HIS 43 CD2 0.0026 0.0136 -0.0028 205 HIS 43 CE1 -0.0020 0.0141 -0.0016 206 HIS 43 NE2 0.0008 0.0146 -0.0042 207 HIS 43 H 0.0013 0.0131 -0.0009 208 HIS 43 HA -0.0041 0.0117 0.0050 209 HIS 43 HB2 0.0049 0.0103 0.0033 210 HIS 43 HB3 0.0014 0.0097 0.0065 211 HIS 43 HD1 -0.0039 0.0122 0.0037 212 HIS 43 HD2 0.0051 0.0137 -0.0043 213 HIS 43 HE1 -0.0039 0.0147 -0.0018 214 HIS 43 HE2 0.0010 0.0158 -0.0069 215 ARG 44 N 0.0007 0.0085 -0.0039 216 ARG 44 CA 0.0005 0.0095 -0.0053 217 ARG 44 C 0.0010 0.0094 -0.0064 218 ARG 44 O 0.0016 0.0082 -0.0064 219 ARG 44 CB 0.0010 0.0092 -0.0063 220 ARG 44 CG 0.0009 0.0089 -0.0054 221 ARG 44 CD 0.0015 0.0085 -0.0065 222 ARG 44 NE 0.0015 0.0080 -0.0058 223 ARG 44 CZ 0.0019 0.0078 -0.0065 224 ARG 44 NH1 0.0024 0.0078 -0.0081 225 ARG 44 NH2 0.0019 0.0074 -0.0058 226 ARG 44 H 0.0013 0.0074 -0.0039 227 ARG 44 HA -0.0002 0.0106 -0.0050 228 ARG 44 HB2 0.0017 0.0083 -0.0069 229 ARG 44 HB3 0.0008 0.0102 -0.0072 230 ARG 44 HG2 0.0002 0.0099 -0.0049 231 ARG 44 HG3 0.0011 0.0080 -0.0044 232 ARG 44 HD2 0.0022 0.0075 -0.0071 233 ARG 44 HD3 0.0013 0.0094 -0.0075 234 ARG 44 HE 0.0012 0.0080 -0.0046 235 ARG 44 HH11 0.0024 0.0081 -0.0088 236 ARG 44 HH12 0.0027 0.0076 -0.0088 237 ARG 44 HH21 0.0015 0.0074 -0.0045 238 ARG 44 HH22 0.0022 0.0072 -0.0063 239 CYS 45 N -0.0021 0.0026 -0.0061 240 CYS 45 CA -0.0030 0.0009 -0.0055 241 CYS 45 C -0.0038 0.0015 -0.0084 242 CYS 45 O -0.0026 0.0037 -0.0094 243 CYS 45 CB -0.0016 0.0015 -0.0029 244 CYS 45 SG -0.0027 -0.0002 -0.0025 245 CYS 45 H -0.0007 0.0044 -0.0061 246 CYS 45 HA -0.0043 -0.0011 -0.0050 247 CYS 45 HB2 -0.0013 0.0008 -0.0009 248 CYS 45 HB3 -0.0002 0.0035 -0.0031 249 LEU 46 N 0.0026 0.0051 -0.0176 250 LEU 46 CA -0.0010 0.0054 -0.0107 251 LEU 46 C -0.0042 -0.0009 -0.0091 252 LEU 46 O -0.0078 -0.0037 -0.0045 253 LEU 46 CB -0.0002 0.0121 -0.0078 254 LEU 46 CG 0.0028 0.0187 -0.0087 255 LEU 46 CD1 0.0037 0.0250 -0.0061 256 LEU 46 CD2 0.0013 0.0193 -0.0055 257 LEU 46 H 0.0050 0.0085 -0.0197 258 LEU 46 HA -0.0021 0.0055 -0.0087 259 LEU 46 HB2 0.0010 0.0120 -0.0099 260 LEU 46 HB3 -0.0029 0.0121 -0.0027 261 LEU 46 HG 0.0055 0.0184 -0.0138 262 LEU 46 HD11 0.0051 0.0247 -0.0088 263 LEU 46 HD12 0.0057 0.0296 -0.0067 264 LEU 46 HD13 0.0010 0.0250 -0.0011 265 LEU 46 HD21 0.0009 0.0151 -0.0078 266 LEU 46 HD22 -0.0015 0.0191 -0.0004 267 LEU 46 HD23 0.0034 0.0241 -0.0062 268 ALA 47 N 0.0011 0.0017 -0.0104 269 ALA 47 CA 0.0024 0.0031 -0.0096 270 ALA 47 C 0.0046 0.0055 -0.0093 271 ALA 47 O 0.0061 0.0070 -0.0093 272 ALA 47 CB 0.0014 0.0026 -0.0067 273 ALA 47 H -0.0001 0.0007 -0.0090 274 ALA 47 HA 0.0025 0.0029 -0.0113 275 ALA 47 HB1 0.0023 0.0037 -0.0062 276 ALA 47 HB2 0.0014 0.0029 -0.0050 277 ALA 47 HB3 -0.0001 0.0010 -0.0070 278 CYS 48 N -0.0008 -0.0001 -0.0087 279 CYS 48 CA 0.0001 0.0009 -0.0086 280 CYS 48 C 0.0003 0.0018 -0.0096 281 CYS 48 O 0.0010 0.0026 -0.0097 282 CYS 48 CB 0.0009 0.0009 -0.0074 283 CYS 48 SG 0.0008 0.0001 -0.0063 284 CYS 48 H -0.0010 -0.0004 -0.0087 285 CYS 48 HA 0.0002 0.0010 -0.0087 286 CYS 48 HB2 0.0009 0.0007 -0.0071 287 CYS 48 HB3 0.0015 0.0017 -0.0073 288 ALA 49 N 0.0022 0.0051 -0.0109 289 ALA 49 CA 0.0028 0.0056 -0.0140 290 ALA 49 C 0.0039 0.0075 -0.0121 291 ALA 49 O 0.0052 0.0090 -0.0141 292 ALA 49 CB 0.0045 0.0075 -0.0174 293 ALA 49 H 0.0005 0.0028 -0.0105 294 ALA 49 HA 0.0013 0.0032 -0.0151 295 ALA 49 HB1 0.0061 0.0099 -0.0163 296 ALA 49 HB2 0.0037 0.0061 -0.0187 297 ALA 49 HB3 0.0049 0.0077 -0.0197 298 ARG 50 N -0.0084 0.0097 -0.0083 299 ARG 50 CA -0.0008 0.0136 -0.0061 300 ARG 50 C 0.0089 0.0188 -0.0032 301 ARG 50 O 0.0129 0.0151 -0.0039 302 ARG 50 CB 0.0036 0.0047 -0.0084 303 ARG 50 CG -0.0055 -0.0005 -0.0112 304 ARG 50 CD -0.0006 -0.0092 -0.0134 305 ARG 50 NE -0.0092 -0.0145 -0.0162 306 ARG 50 CZ -0.0072 -0.0231 -0.0187 307 ARG 50 NH1 0.0032 -0.0270 -0.0186 308 ARG 50 NH2 -0.0156 -0.0275 -0.0211 309 ARG 50 H -0.0063 0.0033 -0.0101 310 ARG 50 HA -0.0052 0.0197 -0.0047 311 ARG 50 HB2 0.0079 -0.0015 -0.0098 312 ARG 50 HB3 0.0095 0.0081 -0.0065 313 ARG 50 HG2 -0.0097 0.0056 -0.0098 314 ARG 50 HG3 -0.0115 -0.0040 -0.0131 315 ARG 50 HD2 0.0038 -0.0152 -0.0147 316 ARG 50 HD3 0.0053 -0.0056 -0.0115 317 ARG 50 HE -0.0169 -0.0113 -0.0161 318 ARG 50 HH11 0.0098 -0.0238 -0.0167 319 ARG 50 HH12 0.0050 -0.0333 -0.0204 320 ARG 50 HH21 -0.0236 -0.0246 -0.0213 321 ARG 50 HH22 -0.0143 -0.0339 -0.0231 322 TYR 51 N 0.0054 0.0042 -0.0099 323 TYR 51 CA 0.0041 0.0016 -0.0084 324 TYR 51 C 0.0017 0.0027 -0.0060 325 TYR 51 O 0.0011 0.0050 -0.0054 326 TYR 51 CB 0.0046 0.0001 -0.0089 327 TYR 51 CG 0.0070 -0.0009 -0.0114 328 TYR 51 CD1 0.0085 0.0012 -0.0131 329 TYR 51 CD2 0.0077 -0.0040 -0.0121 330 TYR 51 CE1 0.0107 0.0003 -0.0153 331 TYR 51 CE2 0.0099 -0.0049 -0.0144 332 TYR 51 CZ 0.0114 -0.0027 -0.0160 333 TYR 51 OH 0.0136 -0.0036 -0.0182 334 TYR 51 H 0.0055 0.0055 -0.0100 335 TYR 51 HA 0.0044 -0.0002 -0.0087 336 TYR 51 HB2 0.0042 0.0018 -0.0085 337 TYR 51 HB3 0.0036 -0.0020 -0.0078 338 TYR 51 HD1 0.0080 0.0035 -0.0125 339 TYR 51 HD2 0.0066 -0.0056 -0.0109 340 TYR 51 HE1 0.0118 0.0019 -0.0166 341 TYR 51 HE2 0.0105 -0.0072 -0.0149 342 TYR 51 HH 0.0140 -0.0028 -0.0187 343 PHE 52 N -0.0009 0.0052 0.0057 344 PHE 52 CA 0.0002 0.0051 0.0074 345 PHE 52 C 0.0006 0.0055 0.0078 346 PHE 52 O -0.0001 0.0050 0.0070 347 PHE 52 CB -0.0000 0.0033 0.0084 348 PHE 52 CG -0.0004 0.0028 0.0081 349 PHE 52 CD1 -0.0016 0.0021 0.0068 350 PHE 52 CD2 0.0004 0.0031 0.0091 351 PHE 52 CE1 -0.0020 0.0016 0.0065 352 PHE 52 CE2 -0.0000 0.0026 0.0088 353 PHE 52 CZ -0.0012 0.0019 0.0075 354 PHE 52 H -0.0017 0.0042 0.0052 355 PHE 52 HA 0.0008 0.0061 0.0077 356 PHE 52 HB2 -0.0006 0.0023 0.0081 357 PHE 52 HB3 0.0008 0.0033 0.0097 358 PHE 52 HD1 -0.0023 0.0019 0.0060 359 PHE 52 HD2 0.0013 0.0036 0.0102 360 PHE 52 HE1 -0.0030 0.0011 0.0054 361 PHE 52 HE2 0.0006 0.0028 0.0097 362 PHE 52 HZ -0.0015 0.0016 0.0073 363 ILE 53 N 0.0079 -0.0034 0.0111 364 ILE 53 CA 0.0052 -0.0036 -0.0008 365 ILE 53 C -0.0079 -0.0003 -0.0020 366 ILE 53 O -0.0132 0.0002 -0.0122 367 ILE 53 CB 0.0137 -0.0061 -0.0033 368 ILE 53 CG1 0.0131 -0.0051 0.0071 369 ILE 53 CG2 0.0266 -0.0095 -0.0050 370 ILE 53 CD1 0.0209 -0.0073 0.0052 371 ILE 53 H 0.0142 -0.0047 0.0163 372 ILE 53 HA 0.0067 -0.0046 -0.0078 373 ILE 53 HB 0.0107 -0.0059 -0.0119 374 ILE 53 HG12 0.0158 -0.0051 0.0158 375 ILE 53 HG13 0.0038 -0.0026 0.0077 376 ILE 53 HG21 0.0296 -0.0097 0.0033 377 ILE 53 HG22 0.0269 -0.0102 -0.0128 378 ILE 53 HG23 0.0325 -0.0112 -0.0067 379 ILE 53 HD11 0.0180 -0.0072 -0.0033 380 ILE 53 HD12 0.0200 -0.0064 0.0129 381 ILE 53 HD13 0.0302 -0.0097 0.0044 382 ASP 54 N -0.0076 0.0095 0.0212 383 ASP 54 CA -0.0103 0.0062 0.0231 384 ASP 54 C -0.0102 0.0062 0.0229 385 ASP 54 O -0.0084 0.0096 0.0225 386 ASP 54 CB -0.0128 0.0071 0.0274 387 ASP 54 CG -0.0158 0.0037 0.0296 388 ASP 54 OD1 -0.0171 0.0003 0.0292 389 ASP 54 OD2 -0.0169 0.0044 0.0317 390 ASP 54 H -0.0064 0.0121 0.0212 391 ASP 54 HA -0.0107 0.0030 0.0216 392 ASP 54 HB2 -0.0128 0.0072 0.0275 393 ASP 54 HB3 -0.0125 0.0102 0.0290 394 SER 55 N -0.0000 0.0095 0.0316 395 SER 55 CA 0.0030 0.0130 0.0300 396 SER 55 C 0.0021 0.0115 0.0223 397 SER 55 O 0.0023 0.0116 0.0211 398 SER 55 CB 0.0085 0.0192 0.0308 399 SER 55 OG 0.0117 0.0228 0.0291 400 SER 55 H 0.0016 0.0115 0.0324 401 SER 55 HA 0.0021 0.0121 0.0340 402 SER 55 HB2 0.0089 0.0201 0.0366 403 SER 55 HB3 0.0094 0.0201 0.0275 404 SER 55 HG 0.0126 0.0235 0.0239 405 THR 56 N 0.0052 0.0160 0.0318 406 THR 56 CA 0.0032 0.0126 0.0159 407 THR 56 C -0.0092 0.0043 0.0130 408 THR 56 O -0.0096 0.0026 0.0023 409 THR 56 CB 0.0024 0.0113 0.0101 410 THR 56 OG1 0.0134 0.0189 0.0145 411 THR 56 CG2 0.0022 0.0089 -0.0069 412 THR 56 H 0.0050 0.0165 0.0370 413 THR 56 HA 0.0112 0.0169 0.0100 414 THR 56 HB -0.0063 0.0064 0.0152 415 THR 56 HG1 0.0111 0.0189 0.0249 416 THR 56 HG21 0.0016 0.0080 -0.0106 417 THR 56 HG22 0.0108 0.0137 -0.0120 418 THR 56 HG23 -0.0060 0.0032 -0.0103 419 ASN 57 N -0.0108 -0.0009 0.0305 420 ASN 57 CA -0.0158 0.0026 0.0265 421 ASN 57 C -0.0166 0.0007 0.0198 422 ASN 57 O -0.0190 0.0013 0.0148 423 ASN 57 CB -0.0195 0.0079 0.0299 424 ASN 57 CG -0.0206 0.0110 0.0350 425 ASN 57 OD1 -0.0238 0.0137 0.0333 426 ASN 57 ND2 -0.0179 0.0106 0.0410 427 ASN 57 H -0.0106 0.0003 0.0341 428 ASN 57 HA -0.0162 0.0028 0.0259 429 ASN 57 HB2 -0.0181 0.0074 0.0325 430 ASN 57 HB3 -0.0229 0.0099 0.0263 431 ASN 57 HD21 -0.0153 0.0085 0.0423 432 ASN 57 HD22 -0.0185 0.0126 0.0443 433 LEU 58 N -0.0071 0.0028 0.0228 434 LEU 58 CA -0.0076 0.0024 0.0222 435 LEU 58 C -0.0062 0.0012 0.0200 436 LEU 58 O -0.0074 0.0004 0.0185 437 LEU 58 CB -0.0069 0.0035 0.0241 438 LEU 58 CG -0.0069 0.0033 0.0237 439 LEU 58 CD1 -0.0045 0.0027 0.0226 440 LEU 58 CD2 -0.0092 0.0025 0.0224 441 LEU 58 H -0.0061 0.0035 0.0242 442 LEU 58 HA -0.0096 0.0022 0.0219 443 LEU 58 HB2 -0.0082 0.0042 0.0254 444 LEU 58 HB3 -0.0051 0.0038 0.0247 445 LEU 58 HG -0.0069 0.0041 0.0252 446 LEU 58 HD11 -0.0045 0.0025 0.0223 447 LEU 58 HD12 -0.0043 0.0018 0.0210 448 LEU 58 HD13 -0.0029 0.0032 0.0236 449 LEU 58 HD21 -0.0091 0.0017 0.0208 450 LEU 58 HD22 -0.0091 0.0024 0.0222 451 LEU 58 HD23 -0.0108 0.0030 0.0233 452 LYS 59 N -0.0110 0.0020 0.0251 453 LYS 59 CA -0.0042 0.0049 0.0141 454 LYS 59 C -0.0079 -0.0106 -0.0004 455 LYS 59 O -0.0081 -0.0136 -0.0046 456 LYS 59 CB 0.0093 0.0202 0.0060 457 LYS 59 CG 0.0145 0.0191 -0.0072 458 LYS 59 CD 0.0278 0.0353 -0.0133 459 LYS 59 CE 0.0354 0.0395 -0.0242 460 LYS 59 NZ 0.0351 0.0273 -0.0415 461 LYS 59 H -0.0073 0.0082 0.0259 462 LYS 59 HA -0.0069 0.0071 0.0234 463 LYS 59 HB2 0.0139 0.0225 -0.0008 464 LYS 59 HB3 0.0113 0.0307 0.0170 465 LYS 59 HG2 0.0097 0.0163 -0.0006 466 LYS 59 HG3 0.0132 0.0093 -0.0188 467 LYS 59 HD2 0.0289 0.0451 -0.0014 468 LYS 59 HD3 0.0308 0.0345 -0.0213 469 LYS 59 HE2 0.0322 0.0400 -0.0163 470 LYS 59 HE3 0.0445 0.0515 -0.0271 471 LYS 59 HZ1 0.0387 0.0273 -0.0497 472 LYS 59 HZ2 0.0403 0.0306 -0.0484 473 LYS 59 HZ3 0.0265 0.0153 -0.0399 474 THR 60 N -0.0076 -0.0041 -0.0120 475 THR 60 CA -0.0122 -0.0184 -0.0248 476 THR 60 C -0.0165 -0.0311 -0.0094 477 THR 60 O -0.0184 -0.0371 -0.0150 478 THR 60 CB -0.0169 -0.0328 -0.0390 479 THR 60 OG1 -0.0127 -0.0204 -0.0535 480 THR 60 CG2 -0.0218 -0.0479 -0.0524 481 THR 60 H -0.0081 -0.0057 -0.0121 482 THR 60 HA -0.0091 -0.0092 -0.0352 483 THR 60 HB -0.0197 -0.0411 -0.0277 484 THR 60 HG1 -0.0105 -0.0135 -0.0451 485 THR 60 HG21 -0.0249 -0.0577 -0.0619 486 THR 60 HG22 -0.0189 -0.0393 -0.0632 487 THR 60 HG23 -0.0249 -0.0573 -0.0417 488 HIS 61 N -0.0133 -0.0164 0.0075 489 HIS 61 CA -0.0128 -0.0163 0.0076 490 HIS 61 C -0.0111 -0.0149 0.0068 491 HIS 61 O -0.0110 -0.0143 0.0063 492 HIS 61 CB -0.0122 -0.0178 0.0092 493 HIS 61 CG -0.0110 -0.0176 0.0095 494 HIS 61 ND1 -0.0116 -0.0174 0.0091 495 HIS 61 CD2 -0.0090 -0.0175 0.0101 496 HIS 61 CE1 -0.0101 -0.0172 0.0094 497 HIS 61 NE2 -0.0086 -0.0172 0.0100 498 HIS 61 H -0.0131 -0.0173 0.0084 499 HIS 61 HA -0.0140 -0.0162 0.0070 500 HIS 61 HB2 -0.0135 -0.0186 0.0096 501 HIS 61 HB3 -0.0114 -0.0182 0.0099 502 HIS 61 HD1 -0.0130 -0.0174 0.0086 503 HIS 61 HD2 -0.0080 -0.0176 0.0106 504 HIS 61 HE1 -0.0100 -0.0169 0.0092 505 PHE 62 N -0.0071 -0.0123 0.0040 506 PHE 62 CA -0.0072 -0.0115 0.0050 507 PHE 62 C -0.0063 -0.0128 0.0018 508 PHE 62 O -0.0062 -0.0122 0.0020 509 PHE 62 CB -0.0062 -0.0074 0.0064 510 PHE 62 CG -0.0067 -0.0057 0.0093 511 PHE 62 CD1 -0.0087 -0.0072 0.0126 512 PHE 62 CD2 -0.0052 -0.0026 0.0088 513 PHE 62 CE1 -0.0092 -0.0055 0.0152 514 PHE 62 CE2 -0.0057 -0.0009 0.0114 515 PHE 62 CZ -0.0076 -0.0023 0.0146 516 PHE 62 H -0.0059 -0.0104 0.0031 517 PHE 62 HA -0.0088 -0.0132 0.0072 518 PHE 62 HB2 -0.0045 -0.0058 0.0042 519 PHE 62 HB3 -0.0067 -0.0075 0.0077 520 PHE 62 HD1 -0.0099 -0.0096 0.0130 521 PHE 62 HD2 -0.0036 -0.0014 0.0063 522 PHE 62 HE1 -0.0108 -0.0068 0.0177 523 PHE 62 HE2 -0.0044 0.0016 0.0109 524 PHE 62 HZ -0.0079 -0.0010 0.0166 525 ARG 63 N -0.0034 -0.0186 -0.0313 526 ARG 63 CA -0.0079 -0.0103 -0.0052 527 ARG 63 C 0.0107 0.0034 0.0062 528 ARG 63 O 0.0104 0.0120 0.0280 529 ARG 63 CB -0.0112 -0.0085 0.0029 530 ARG 63 CG -0.0327 -0.0218 -0.0039 531 ARG 63 CD -0.0352 -0.0197 0.0042 532 ARG 63 NE -0.0360 -0.0097 0.0301 533 ARG 63 CZ -0.0418 -0.0074 0.0426 534 ARG 63 NH1 -0.0487 -0.0151 0.0319 535 ARG 63 NH2 -0.0411 0.0023 0.0658 536 ARG 63 H 0.0025 -0.0197 -0.0412 537 ARG 63 HA -0.0240 -0.0158 0.0005 538 ARG 63 HB2 0.0038 -0.0045 -0.0051 539 ARG 63 HB3 -0.0126 -0.0015 0.0222 540 ARG 63 HG2 -0.0477 -0.0256 0.0045 541 ARG 63 HG3 -0.0316 -0.0290 -0.0232 542 ARG 63 HD2 -0.0510 -0.0293 -0.0006 543 ARG 63 HD3 -0.0205 -0.0162 -0.0049 544 ARG 63 HE -0.0316 -0.0042 0.0384 545 ARG 63 HH11 -0.0498 -0.0226 0.0144 546 ARG 63 HH12 -0.0530 -0.0136 0.0409 547 ARG 63 HH21 -0.0363 0.0081 0.0743 548 ARG 63 HH22 -0.0452 0.0044 0.0761 549 SER 64 N -0.0076 -0.0123 0.0021 550 SER 64 CA -0.0053 -0.0109 0.0033 551 SER 64 C -0.0012 -0.0056 0.0049 552 SER 64 O 0.0028 -0.0062 0.0080 553 SER 64 CB -0.0030 -0.0163 0.0066 554 SER 64 OG -0.0065 -0.0217 0.0056 555 SER 64 H -0.0065 -0.0154 0.0038 556 SER 64 HA -0.0081 -0.0099 0.0010 557 SER 64 HB2 0.0002 -0.0166 0.0090 558 SER 64 HB3 -0.0019 -0.0156 0.0072 559 SER 64 HG -0.0090 -0.0218 0.0037 560 LYS 65 N 0.0000 -0.0050 0.0109 561 LYS 65 CA 0.0058 -0.0034 0.0077 562 LYS 65 C 0.0091 -0.0028 0.0063 563 LYS 65 O 0.0148 -0.0033 0.0057 564 LYS 65 CB 0.0050 0.0003 0.0033 565 LYS 65 CG -0.0002 0.0037 0.0001 566 LYS 65 CD 0.0006 0.0057 -0.0025 567 LYS 65 CE -0.0047 0.0090 -0.0056 568 LYS 65 NZ -0.0041 0.0109 -0.0080 569 LYS 65 H -0.0039 -0.0035 0.0099 570 LYS 65 HA 0.0088 -0.0058 0.0100 571 LYS 65 HB2 0.0092 0.0015 0.0009 572 LYS 65 HB3 0.0043 -0.0007 0.0046 573 LYS 65 HG2 -0.0005 0.0059 -0.0026 574 LYS 65 HG3 -0.0045 0.0026 0.0024 575 LYS 65 HD2 0.0009 0.0036 0.0001 576 LYS 65 HD3 0.0049 0.0069 -0.0049 577 LYS 65 HE2 -0.0046 0.0113 -0.0083 578 LYS 65 HE3 -0.0089 0.0079 -0.0032 579 LYS 65 HZ1 -0.0001 0.0120 -0.0103 580 LYS 65 HZ2 -0.0043 0.0089 -0.0054 581 LYS 65 HZ3 -0.0077 0.0132 -0.0101 582 ASP 66 N 0.0134 -0.0002 0.0149 583 ASP 66 CA 0.0150 0.0008 0.0124 584 ASP 66 C 0.0160 -0.0013 0.0109 585 ASP 66 O 0.0174 -0.0016 0.0087 586 ASP 66 CB 0.0151 0.0038 0.0123 587 ASP 66 CG 0.0168 0.0052 0.0098 588 ASP 66 OD1 0.0171 0.0065 0.0093 589 ASP 66 OD2 0.0177 0.0050 0.0083 590 ASP 66 H 0.0126 0.0009 0.0162 591 ASP 66 HA 0.0155 0.0007 0.0117 592 ASP 66 HB2 0.0143 0.0051 0.0136 593 ASP 66 HB3 0.0148 0.0038 0.0127 594 HIS 67 N 0.0067 -0.0013 0.0078 595 HIS 67 CA 0.0072 -0.0029 0.0063 596 HIS 67 C 0.0065 -0.0040 0.0059 597 HIS 67 O 0.0075 -0.0046 0.0048 598 HIS 67 CB 0.0063 -0.0039 0.0061 599 HIS 67 CG 0.0068 -0.0055 0.0046 600 HIS 67 ND1 0.0084 -0.0055 0.0034 601 HIS 67 CD2 0.0060 -0.0067 0.0042 602 HIS 67 CE1 0.0087 -0.0067 0.0023 603 HIS 67 NE2 0.0073 -0.0074 0.0028 604 HIS 67 H 0.0059 -0.0011 0.0085 605 HIS 67 HA 0.0086 -0.0026 0.0055 606 HIS 67 HB2 0.0068 -0.0032 0.0063 607 HIS 67 HB3 0.0049 -0.0044 0.0068 608 HIS 67 HD1 0.0093 -0.0048 0.0033 609 HIS 67 HD2 0.0046 -0.0070 0.0049 610 HIS 67 HE1 0.0098 -0.0071 0.0012 611 LYS 68 N 0.0079 -0.0054 0.0052 612 LYS 68 CA 0.0076 -0.0045 0.0053 613 LYS 68 C 0.0092 -0.0021 0.0067 614 LYS 68 O 0.0102 -0.0017 0.0072 615 LYS 68 CB 0.0048 -0.0039 0.0043 616 LYS 68 CG 0.0032 -0.0062 0.0030 617 LYS 68 CD 0.0004 -0.0054 0.0020 618 LYS 68 CE -0.0007 -0.0030 0.0022 619 LYS 68 NZ -0.0034 -0.0023 0.0012 620 LYS 68 H 0.0064 -0.0051 0.0046 621 LYS 68 HA 0.0084 -0.0062 0.0052 622 LYS 68 HB2 0.0041 -0.0021 0.0045 623 LYS 68 HB3 0.0046 -0.0034 0.0044 624 LYS 68 HG2 0.0040 -0.0081 0.0028 625 LYS 68 HG3 0.0034 -0.0067 0.0029 626 LYS 68 HD2 0.0002 -0.0048 0.0021 627 LYS 68 HD3 -0.0007 -0.0071 0.0011 628 LYS 68 HE2 -0.0004 -0.0036 0.0022 629 LYS 68 HE3 0.0003 -0.0013 0.0031 630 LYS 68 HZ1 -0.0038 -0.0018 0.0012 631 LYS 68 HZ2 -0.0041 -0.0008 0.0013 632 LYS 68 HZ3 -0.0044 -0.0040 0.0003 633 LYS 69 N 0.0208 -0.0020 0.0064 634 LYS 69 CA 0.0189 -0.0046 0.0013 635 LYS 69 C 0.0142 -0.0031 0.0025 636 LYS 69 O 0.0149 -0.0043 0.0007 637 LYS 69 CB 0.0157 -0.0063 -0.0027 638 LYS 69 CG 0.0116 -0.0085 -0.0076 639 LYS 69 CD 0.0083 -0.0097 -0.0105 640 LYS 69 CE 0.0037 -0.0118 -0.0154 641 LYS 69 NZ 0.0006 -0.0125 -0.0176 642 LYS 69 H 0.0201 -0.0018 0.0064 643 LYS 69 HA 0.0231 -0.0063 -0.0006 644 LYS 69 HB2 0.0193 -0.0078 -0.0043 645 LYS 69 HB3 0.0127 -0.0045 -0.0002 646 LYS 69 HG2 0.0082 -0.0070 -0.0059 647 LYS 69 HG3 0.0145 -0.0106 -0.0105 648 LYS 69 HD2 0.0120 -0.0111 -0.0120 649 LYS 69 HD3 0.0059 -0.0075 -0.0074 650 LYS 69 HE2 0.0001 -0.0104 -0.0141 651 LYS 69 HE3 0.0062 -0.0140 -0.0187 652 LYS 69 HZ1 -0.0029 -0.0139 -0.0210 653 LYS 69 HZ2 -0.0017 -0.0103 -0.0144 654 LYS 69 HZ3 0.0040 -0.0138 -0.0189 655 ARG 70 N 0.0166 -0.0042 0.0078 656 ARG 70 CA 0.0112 -0.0010 0.0045 657 ARG 70 C 0.0082 0.0013 0.0026 658 ARG 70 O 0.0026 0.0013 -0.0001 659 ARG 70 CB 0.0127 0.0050 0.0041 660 ARG 70 CG 0.0071 0.0082 0.0007 661 ARG 70 CD 0.0029 0.0032 -0.0004 662 ARG 70 NE -0.0027 0.0061 -0.0036 663 ARG 70 CZ -0.0081 0.0026 -0.0056 664 ARG 70 NH1 -0.0087 -0.0039 -0.0046 665 ARG 70 NH2 -0.0129 0.0057 -0.0085 666 ARG 70 H 0.0206 -0.0019 0.0093 667 ARG 70 HA 0.0081 -0.0046 0.0037 668 ARG 70 HB2 0.0155 0.0036 0.0057 669 ARG 70 HB3 0.0155 0.0087 0.0047 670 ARG 70 HG2 0.0086 0.0123 0.0006 671 ARG 70 HG3 0.0047 0.0101 -0.0008 672 ARG 70 HD2 0.0015 -0.0009 -0.0002 673 ARG 70 HD3 0.0052 0.0015 0.0011 674 ARG 70 HE -0.0022 0.0109 -0.0043 675 ARG 70 HH11 -0.0053 -0.0065 -0.0024 676 ARG 70 HH12 -0.0128 -0.0066 -0.0060 677 ARG 70 HH21 -0.0125 0.0106 -0.0092 678 ARG 70 HH22 -0.0170 0.0034 -0.0100 679 LEU 71 N 0.0068 0.0032 0.0043 680 LEU 71 CA 0.0057 0.0024 0.0031 681 LEU 71 C 0.0045 0.0022 0.0036 682 LEU 71 O 0.0041 0.0018 0.0027 683 LEU 71 CB 0.0048 0.0020 0.0027 684 LEU 71 CG 0.0059 0.0022 0.0021 685 LEU 71 CD1 0.0048 0.0017 0.0017 686 LEU 71 CD2 0.0071 0.0021 0.0006 687 LEU 71 H 0.0067 0.0033 0.0049 688 LEU 71 HA 0.0065 0.0023 0.0020 689 LEU 71 HB2 0.0041 0.0021 0.0038 690 LEU 71 HB3 0.0040 0.0015 0.0018 691 LEU 71 HG 0.0066 0.0027 0.0031 692 LEU 71 HD11 0.0041 0.0011 0.0007 693 LEU 71 HD12 0.0040 0.0018 0.0027 694 LEU 71 HD13 0.0056 0.0018 0.0013 695 LEU 71 HD21 0.0080 0.0025 0.0010 696 LEU 71 HD22 0.0065 0.0015 -0.0004 697 LEU 71 HD23 0.0078 0.0022 0.0002 698 LYS 72 N 0.0014 -0.0002 0.0043 699 LYS 72 CA 0.0032 0.0040 0.0047 700 LYS 72 C 0.0057 0.0043 0.0079 701 LYS 72 O 0.0079 0.0065 0.0100 702 LYS 72 CB 0.0017 0.0067 0.0014 703 LYS 72 CG 0.0033 0.0112 0.0016 704 LYS 72 CD 0.0016 0.0136 -0.0019 705 LYS 72 CE 0.0033 0.0182 -0.0018 706 LYS 72 NZ 0.0016 0.0206 -0.0051 707 LYS 72 H -0.0004 -0.0010 0.0021 708 LYS 72 HA 0.0039 0.0051 0.0051 709 LYS 72 HB2 -0.0000 0.0064 -0.0008 710 LYS 72 HB3 0.0010 0.0055 0.0010 711 LYS 72 HG2 0.0050 0.0115 0.0036 712 LYS 72 HG3 0.0041 0.0124 0.0021 713 LYS 72 HD2 -0.0000 0.0133 -0.0039 714 LYS 72 HD3 0.0009 0.0125 -0.0024 715 LYS 72 HE2 0.0049 0.0186 0.0003 716 LYS 72 HE3 0.0041 0.0193 -0.0011 717 LYS 72 HZ1 0.0008 0.0197 -0.0058 718 LYS 72 HZ2 0.0001 0.0204 -0.0071 719 LYS 72 HZ3 0.0028 0.0237 -0.0050 720 GLN 73 N 0.0032 -0.0007 0.0022 721 GLN 73 CA -0.0019 -0.0023 0.0023 722 GLN 73 C -0.0059 0.0024 0.0012 723 GLN 73 O -0.0108 0.0018 0.0011 724 GLN 73 CB -0.0008 -0.0047 0.0028 725 GLN 73 CG 0.0028 -0.0096 0.0040 726 GLN 73 CD 0.0041 -0.0116 0.0045 727 GLN 73 OE1 0.0043 -0.0085 0.0039 728 GLN 73 NE2 0.0048 -0.0168 0.0056 729 GLN 73 H 0.0066 -0.0006 0.0024 730 GLN 73 HA -0.0038 -0.0054 0.0029 731 GLN 73 HB2 0.0012 -0.0016 0.0023 732 GLN 73 HB3 -0.0047 -0.0057 0.0029 733 GLN 73 HG2 0.0008 -0.0128 0.0046 734 GLN 73 HG3 0.0067 -0.0086 0.0040 735 GLN 73 HE21 0.0046 -0.0190 0.0060 736 GLN 73 HE22 0.0057 -0.0183 0.0059 737 LEU 74 N -0.0049 -0.0002 -0.0042 738 LEU 74 CA -0.0082 0.0049 -0.0066 739 LEU 74 C -0.0096 0.0053 -0.0073 740 LEU 74 O -0.0132 0.0085 -0.0096 741 LEU 74 CB -0.0052 0.0108 -0.0062 742 LEU 74 CG -0.0083 0.0167 -0.0086 743 LEU 74 CD1 -0.0137 0.0160 -0.0110 744 LEU 74 CD2 -0.0047 0.0221 -0.0078 745 LEU 74 H -0.0008 0.0006 -0.0024 746 LEU 74 HA -0.0120 0.0042 -0.0083 747 LEU 74 HB2 -0.0038 0.0102 -0.0054 748 LEU 74 HB3 -0.0015 0.0113 -0.0045 749 LEU 74 HG -0.0093 0.0175 -0.0092 750 LEU 74 HD11 -0.0158 0.0202 -0.0127 751 LEU 74 HD12 -0.0129 0.0150 -0.0105 752 LEU 74 HD13 -0.0164 0.0123 -0.0117 753 LEU 74 HD21 -0.0036 0.0213 -0.0071 754 LEU 74 HD22 -0.0069 0.0261 -0.0095 755 LEU 74 HD23 -0.0009 0.0226 -0.0061 756 SER 75 N 0.0058 0.0080 -0.0032 757 SER 75 CA 0.0115 0.0076 -0.0008 758 SER 75 C 0.0070 -0.0026 0.0037 759 SER 75 O 0.0125 -0.0058 0.0077 760 SER 75 CB 0.0247 0.0096 0.0027 761 SER 75 OG 0.0305 0.0099 0.0046 762 SER 75 H -0.0001 0.0122 -0.0079 763 SER 75 HA 0.0091 0.0136 -0.0054 764 SER 75 HB2 0.0273 0.0169 -0.0008 765 SER 75 HB3 0.0270 0.0036 0.0072 766 SER 75 HG 0.0365 0.0158 0.0032 767 VAL 76 N -0.0017 0.0040 -0.0017 768 VAL 76 CA -0.0018 0.0038 -0.0022 769 VAL 76 C -0.0036 0.0018 -0.0009 770 VAL 76 O -0.0046 0.0002 -0.0023 771 VAL 76 CB -0.0004 0.0059 -0.0011 772 VAL 76 CG1 -0.0005 0.0056 -0.0016 773 VAL 76 CG2 0.0015 0.0078 -0.0024 774 VAL 76 H -0.0009 0.0054 -0.0006 775 VAL 76 HA -0.0016 0.0034 -0.0045 776 VAL 76 HB -0.0006 0.0062 0.0011 777 VAL 76 HG11 0.0005 0.0071 -0.0008 778 VAL 76 HG12 -0.0003 0.0052 -0.0038 779 VAL 76 HG13 -0.0018 0.0042 -0.0006 780 VAL 76 HG21 0.0025 0.0093 -0.0016 781 VAL 76 HG22 0.0016 0.0081 -0.0020 782 VAL 76 HG23 0.0017 0.0075 -0.0046 783 GLU 77 N -0.0037 -0.0009 -0.0006 784 GLU 77 CA -0.0066 -0.0015 -0.0001 785 GLU 77 C -0.0078 -0.0005 0.0028 786 GLU 77 O -0.0073 0.0006 0.0046 787 GLU 77 CB -0.0070 -0.0020 -0.0007 788 GLU 77 CG -0.0052 -0.0008 0.0005 789 GLU 77 CD -0.0058 -0.0013 -0.0002 790 GLU 77 OE1 -0.0051 -0.0022 -0.0024 791 GLU 77 OE2 -0.0071 -0.0009 0.0016 792 GLU 77 H -0.0026 0.0002 0.0008 793 GLU 77 HA -0.0076 -0.0025 -0.0013 794 GLU 77 HB2 -0.0091 -0.0023 0.0000 795 GLU 77 HB3 -0.0067 -0.0029 -0.0029 796 GLU 77 HG2 -0.0030 -0.0005 -0.0003 797 GLU 77 HG3 -0.0054 0.0002 0.0026 798 PRO 78 N -0.0104 0.0043 0.0030 799 PRO 78 CA -0.0121 0.0065 0.0055 800 PRO 78 C -0.0155 0.0065 0.0050 801 PRO 78 O -0.0175 0.0051 0.0032 802 PRO 78 CB -0.0125 0.0069 0.0059 803 PRO 78 CG -0.0101 0.0052 0.0042 804 PRO 78 CD -0.0098 0.0033 0.0019 805 PRO 78 HA -0.0107 0.0077 0.0071 806 PRO 78 HB2 -0.0151 0.0067 0.0054 807 PRO 78 HB3 -0.0120 0.0085 0.0079 808 PRO 78 HG2 -0.0110 0.0048 0.0036 809 PRO 78 HG3 -0.0077 0.0059 0.0053 810 PRO 78 HD2 -0.0118 0.0022 0.0004 811 PRO 78 HD3 -0.0074 0.0024 0.0012 812 TYR 79 N -0.0160 0.0017 0.0079 813 TYR 79 CA -0.0162 0.0019 0.0075 814 TYR 79 C -0.0216 -0.0001 0.0136 815 TYR 79 O -0.0191 -0.0019 0.0202 816 TYR 79 CB -0.0079 0.0021 0.0076 817 TYR 79 CG -0.0029 0.0042 0.0009 818 TYR 79 CD1 0.0019 0.0043 0.0011 819 TYR 79 CD2 -0.0031 0.0061 -0.0058 820 TYR 79 CE1 0.0063 0.0063 -0.0051 821 TYR 79 CE2 0.0013 0.0081 -0.0120 822 TYR 79 CZ 0.0060 0.0082 -0.0116 823 TYR 79 OH 0.0105 0.0101 -0.0178 824 TYR 79 H -0.0186 0.0028 0.0038 825 TYR 79 HA -0.0191 0.0033 0.0021 826 TYR 79 HB2 -0.0048 0.0007 0.0128 827 TYR 79 HB3 -0.0086 0.0021 0.0076 828 TYR 79 HD1 0.0021 0.0029 0.0062 829 TYR 79 HD2 -0.0068 0.0061 -0.0060 830 TYR 79 HE1 0.0100 0.0063 -0.0047 831 TYR 79 HE2 0.0011 0.0096 -0.0171 832 TYR 79 HH 0.0068 0.0112 -0.0222 833 SER 80 N -0.0138 -0.0014 0.0053 834 SER 80 CA -0.0118 -0.0012 0.0034 835 SER 80 C -0.0104 -0.0013 0.0024 836 SER 80 O -0.0113 -0.0012 0.0031 837 SER 80 CB -0.0100 -0.0026 0.0042 838 SER 80 OG -0.0080 -0.0025 0.0023 839 SER 80 H -0.0134 -0.0026 0.0068 840 SER 80 HA -0.0125 0.0001 0.0020 841 SER 80 HB2 -0.0111 -0.0026 0.0050 842 SER 80 HB3 -0.0093 -0.0039 0.0055 843 SER 80 HG -0.0088 -0.0016 0.0015 844 GLN 81 N -0.0034 -0.0032 0.0019 845 GLN 81 CA -0.0015 -0.0034 -0.0005 846 GLN 81 C -0.0014 -0.0059 -0.0029 847 GLN 81 O -0.0031 -0.0080 -0.0025 848 GLN 81 CB -0.0020 -0.0038 -0.0003 849 GLN 81 CG 0.0001 -0.0036 -0.0027 850 GLN 81 CD -0.0003 -0.0042 -0.0027 851 GLN 81 OE1 -0.0023 -0.0059 -0.0018 852 GLN 81 NE2 0.0015 -0.0028 -0.0037 853 GLN 81 H -0.0050 -0.0038 0.0033 854 GLN 81 HA 0.0001 -0.0014 -0.0008 855 GLN 81 HB2 -0.0024 -0.0023 0.0015 856 GLN 81 HB3 -0.0035 -0.0059 -0.0003 857 GLN 81 HG2 0.0006 -0.0050 -0.0045 858 GLN 81 HG3 0.0016 -0.0014 -0.0026 859 GLN 81 HE21 0.0031 -0.0015 -0.0044 860 GLN 81 HE22 0.0013 -0.0032 -0.0038 861 GLU 82 N 0.0052 -0.0081 -0.0019 862 GLU 82 CA 0.0050 -0.0078 -0.0028 863 GLU 82 C 0.0062 -0.0087 -0.0044 864 GLU 82 O 0.0062 -0.0086 -0.0053 865 GLU 82 CB 0.0035 -0.0064 -0.0034 866 GLU 82 CG 0.0031 -0.0060 -0.0043 867 GLU 82 CD 0.0016 -0.0046 -0.0047 868 GLU 82 OE1 0.0013 -0.0041 -0.0061 869 GLU 82 OE2 0.0008 -0.0039 -0.0037 870 GLU 82 H 0.0057 -0.0087 -0.0007 871 GLU 82 HA 0.0052 -0.0081 -0.0017 872 GLU 82 HB2 0.0028 -0.0059 -0.0022 873 GLU 82 HB3 0.0033 -0.0061 -0.0044 874 GLU 82 HG2 0.0038 -0.0064 -0.0055 875 GLU 82 HG3 0.0033 -0.0062 -0.0033 876 GLU 83 N 0.0008 -0.0064 -0.0085 877 GLU 83 CA 0.0030 -0.0069 -0.0103 878 GLU 83 C 0.0083 -0.0029 -0.0075 879 GLU 83 O 0.0136 -0.0028 -0.0102 880 GLU 83 CB -0.0025 -0.0083 -0.0094 881 GLU 83 CG -0.0007 -0.0088 -0.0111 882 GLU 83 CD -0.0064 -0.0106 -0.0106 883 GLU 83 OE1 -0.0091 -0.0084 -0.0061 884 GLU 83 OE2 -0.0082 -0.0144 -0.0149 885 GLU 83 H -0.0005 -0.0041 -0.0046 886 GLU 83 HA 0.0049 -0.0092 -0.0147 887 GLU 83 HB2 -0.0060 -0.0111 -0.0116 888 GLU 83 HB3 -0.0046 -0.0060 -0.0050 889 GLU 83 HG2 0.0023 -0.0059 -0.0086 890 GLU 83 HG3 0.0018 -0.0109 -0.0153 891 ALA 84 N 0.0028 -0.0035 -0.0053 892 ALA 84 CA 0.0086 0.0020 -0.0015 893 ALA 84 C 0.0115 0.0048 0.0005 894 ALA 84 O 0.0147 0.0097 0.0052 895 ALA 84 CB 0.0054 0.0046 0.0047 896 ALA 84 H -0.0023 -0.0042 -0.0026 897 ALA 84 HA 0.0131 0.0019 -0.0050 898 ALA 84 HB1 0.0097 0.0086 0.0074 899 ALA 84 HB2 0.0007 0.0045 0.0081 900 ALA 84 HB3 0.0039 0.0026 0.0029 901 GLU 85 N 0.0007 -0.0029 -0.0045 902 GLU 85 CA 0.0041 -0.0017 -0.0078 903 GLU 85 C 0.0074 -0.0058 -0.0080 904 GLU 85 O 0.0085 -0.0084 -0.0073 905 GLU 85 CB 0.0043 0.0001 -0.0090 906 GLU 85 CG 0.0073 0.0022 -0.0126 907 GLU 85 CD 0.0115 -0.0007 -0.0141 908 GLU 85 OE1 0.0128 -0.0023 -0.0142 909 GLU 85 OE2 0.0135 -0.0014 -0.0152 910 GLU 85 H 0.0012 -0.0059 -0.0031 911 GLU 85 HA 0.0042 0.0007 -0.0092 912 GLU 85 HB2 0.0015 0.0023 -0.0081 913 GLU 85 HB3 0.0048 -0.0026 -0.0079 914 GLU 85 HG2 0.0070 0.0039 -0.0133 915 GLU 85 HG3 0.0066 0.0044 -0.0132 916 ARG 86 N 0.0127 -0.0144 -0.0011 917 ARG 86 CA 0.0118 -0.0118 0.0001 918 ARG 86 C 0.0080 -0.0122 0.0000 919 ARG 86 O 0.0056 -0.0134 -0.0005 920 ARG 86 CB 0.0125 -0.0084 0.0017 921 ARG 86 CG 0.0112 -0.0079 0.0020 922 ARG 86 CD 0.0071 -0.0082 0.0019 923 ARG 86 NE 0.0061 -0.0080 0.0020 924 ARG 86 CZ 0.0029 -0.0088 0.0018 925 ARG 86 NH1 0.0002 -0.0096 0.0014 926 ARG 86 NH2 0.0024 -0.0086 0.0018 927 ARG 86 H 0.0112 -0.0148 -0.0013 928 ARG 86 HA 0.0136 -0.0121 -0.0001 929 ARG 86 HB2 0.0112 -0.0067 0.0026 930 ARG 86 HB3 0.0153 -0.0080 0.0019 931 ARG 86 HG2 0.0120 -0.0056 0.0031 932 ARG 86 HG3 0.0125 -0.0097 0.0011 933 ARG 86 HD2 0.0062 -0.0105 0.0009 934 ARG 86 HD3 0.0059 -0.0062 0.0029 935 ARG 86 HE 0.0081 -0.0073 0.0023 936 ARG 86 HH11 0.0004 -0.0098 0.0013 937 ARG 86 HH12 -0.0022 -0.0102 0.0012 938 ARG 86 HH21 0.0044 -0.0080 0.0021 939 ARG 86 HH22 0.0001 -0.0092 0.0016 940 ALA 87 N -0.0028 -0.0084 -0.0011 941 ALA 87 CA -0.0303 -0.0084 -0.0010 942 ALA 87 C -0.0462 0.0209 0.0303 943 ALA 87 O -0.0521 0.0311 0.0412 944 ALA 87 CB -0.0072 -0.0174 -0.0107 945 ALA 87 H 0.0244 -0.0004 0.0070 946 ALA 87 HA -0.0549 -0.0228 -0.0160 947 ALA 87 HB1 0.0179 -0.0033 0.0040 948 ALA 87 HB2 0.0040 -0.0382 -0.0329 949 ALA 87 HB3 -0.0272 -0.0169 -0.0100 950 ALA 88 N -0.0184 -0.0042 -0.0232 951 ALA 88 CA -0.0271 0.0035 0.0047 952 ALA 88 C -0.0624 0.0264 0.0032 953 ALA 88 O -0.0796 0.0390 0.0232 954 ALA 88 CB -0.0150 -0.0015 0.0434 955 ALA 88 H -0.0301 0.0032 -0.0251 956 ALA 88 HA -0.0166 -0.0038 -0.0018 957 ALA 88 HB1 -0.0256 0.0060 0.0505 958 ALA 88 HB2 0.0103 -0.0179 0.0437 959 ALA 88 HB3 -0.0214 0.0042 0.0636 960 GLY 89 N 0.0400 0.0023 -0.0146 961 GLY 89 CA 0.0277 0.0081 -0.0158 962 GLY 89 C 0.0318 0.0086 -0.0231 963 GLY 89 O 0.0400 0.0032 -0.0176 964 GLY 89 H 0.0490 0.0002 -0.0206 965 GLY 89 HA2 0.0223 0.0071 -0.0049 966 GLY 89 HA3 0.0208 0.0133 -0.0224 967 MET 90 N 0.0021 0.0008 0.0014 968 MET 90 CA 0.0014 0.0007 0.0011 969 MET 90 C 0.0008 0.0013 0.0016 970 MET 90 O 0.0009 0.0016 0.0021 971 MET 90 CB 0.0017 0.0004 0.0009 972 MET 90 CG 0.0011 0.0002 0.0005 973 MET 90 SD 0.0002 0.0007 0.0009 974 MET 90 CE -0.0004 0.0003 0.0003 975 MET 90 H 0.0022 0.0005 0.0012 976 MET 90 HA 0.0011 0.0004 0.0007 977 MET 90 HB2 0.0022 0.0000 0.0006 978 MET 90 HB3 0.0020 0.0007 0.0013 979 MET 90 HG2 0.0008 -0.0002 0.0001 980 MET 90 HG3 0.0014 -0.0000 0.0003 981 MET 90 HE1 -0.0006 -0.0000 -0.0001 982 MET 90 HE2 -0.0009 0.0006 0.0005 983 MET 90 HE3 0.0001 0.0001 0.0002 984 GLY 91 N -0.0043 -0.0008 0.0021 985 GLY 91 CA -0.0031 0.0010 -0.0008 986 GLY 91 C -0.0035 -0.0015 0.0026 987 GLY 91 O 0.0010 -0.0033 0.0029 988 GLY 91 H -0.0017 -0.0035 0.0044 989 GLY 91 HA2 -0.0064 0.0040 -0.0030 990 GLY 91 HA3 0.0013 0.0013 -0.0031 991 SER 92 N 0.0009 0.0007 -0.0001 992 SER 92 CA -0.0004 0.0000 -0.0002 993 SER 92 C -0.0011 0.0007 0.0011 994 SER 92 O -0.0004 0.0013 0.0016 995 SER 92 CB -0.0001 -0.0007 -0.0013 996 SER 92 OG 0.0006 -0.0013 -0.0025 997 SER 92 H 0.0018 0.0012 0.0001 998 SER 92 HA -0.0013 -0.0005 -0.0003 999 SER 92 HB2 0.0008 -0.0002 -0.0012 1000 SER 92 HB3 -0.0011 -0.0012 -0.0014 1001 SER 92 HG 0.0008 -0.0010 -0.0022 1002 TYR 93 N 0.0006 -0.0001 -0.0004 1003 TYR 93 CA 0.0005 -0.0000 -0.0004 1004 TYR 93 C 0.0002 -0.0001 -0.0006 1005 TYR 93 O 0.0002 -0.0001 -0.0007 1006 TYR 93 CB 0.0004 0.0001 -0.0002 1007 TYR 93 CG 0.0003 0.0002 -0.0001 1008 TYR 93 CD1 0.0004 0.0002 0.0000 1009 TYR 93 CD2 0.0000 0.0003 -0.0002 1010 TYR 93 CE1 0.0003 0.0003 0.0001 1011 TYR 93 CE2 -0.0000 0.0004 -0.0001 1012 TYR 93 CZ 0.0001 0.0004 0.0000 1013 TYR 93 OH 0.0000 0.0005 0.0001 1014 TYR 93 H 0.0005 -0.0001 -0.0004 1015 TYR 93 HA 0.0006 -0.0001 -0.0004 1016 TYR 93 HB2 0.0005 0.0001 -0.0001 1017 TYR 93 HB3 0.0002 0.0002 -0.0002 1018 TYR 93 HD1 0.0006 0.0002 0.0000 1019 TYR 93 HD2 -0.0001 0.0003 -0.0003 1020 TYR 93 HE1 0.0004 0.0003 0.0002 1021 TYR 93 HE2 -0.0002 0.0004 -0.0001 1022 TYR 93 HH -0.0001 0.0004 -0.0000 1023 VAL 94 N -0.0004 -0.0002 0.0001 1024 VAL 94 CA -0.0002 -0.0000 0.0001 1025 VAL 94 C -0.0002 -0.0000 0.0001 1026 VAL 94 O -0.0001 -0.0002 0.0000 1027 VAL 94 CB 0.0001 -0.0001 0.0000 1028 VAL 94 CG1 0.0001 -0.0004 -0.0001 1029 VAL 94 CG2 0.0003 0.0000 -0.0000 1030 VAL 94 H -0.0004 -0.0004 0.0000 1031 VAL 94 HA -0.0002 0.0002 0.0001 1032 VAL 94 HB 0.0000 -0.0001 0.0000 1033 VAL 94 HG11 0.0003 -0.0005 -0.0001 1034 VAL 94 HG12 0.0001 -0.0005 -0.0001 1035 VAL 94 HG13 -0.0000 -0.0006 -0.0001 1036 VAL 94 HG21 0.0003 0.0000 -0.0000 1037 VAL 94 HG22 0.0005 -0.0000 -0.0000 1038 VAL 94 HG23 0.0003 0.0003 0.0000