1 ASP 28 N 0.0052 -0.0663 -0.0237 2 ASP 28 CA -0.0045 -0.0386 0.0422 3 ASP 28 C 0.0726 -0.0785 0.0872 4 ASP 28 O 0.1210 -0.1270 0.0419 5 ASP 28 CB -0.0525 -0.0187 -0.0016 6 ASP 28 CG -0.0658 0.0109 0.0624 7 ASP 28 OD1 -0.1051 0.0569 0.1200 8 ASP 28 OD2 -0.0409 -0.0095 0.0533 9 ASP 28 H -0.0469 -0.0402 -0.0566 10 ASP 28 HA -0.0333 -0.0030 0.0904 11 ASP 28 HB2 -0.1072 0.0097 -0.0329 12 ASP 28 HB3 -0.0240 -0.0546 -0.0511 13 PRO 29 N 0.0197 0.0206 -0.0195 14 PRO 29 CA 0.0058 0.0179 -0.0193 15 PRO 29 C -0.0067 0.0311 -0.0173 16 PRO 29 O -0.0111 0.0356 -0.0166 17 PRO 29 CB -0.0014 0.0019 -0.0209 18 PRO 29 CG 0.0115 -0.0059 -0.0222 19 PRO 29 CD 0.0216 0.0075 -0.0210 20 PRO 29 HA 0.0095 0.0169 -0.0195 21 PRO 29 HB2 -0.0121 0.0045 -0.0202 22 PRO 29 HB3 -0.0048 -0.0053 -0.0216 23 PRO 29 HG2 0.0061 -0.0129 -0.0229 24 PRO 29 HG3 0.0188 -0.0134 -0.0234 25 PRO 29 HD2 0.0171 0.0110 -0.0205 26 PRO 29 HD3 0.0340 0.0037 -0.0219 27 ASN 30 N 0.0117 -0.0039 0.0160 28 ASN 30 CA 0.0055 0.0039 0.0109 29 ASN 30 C 0.0116 0.0012 0.0206 30 ASN 30 O 0.0140 -0.0097 0.0154 31 ASN 30 CB -0.0013 -0.0014 -0.0072 32 ASN 30 CG -0.0079 0.0058 -0.0140 33 ASN 30 OD1 -0.0162 0.0189 -0.0184 34 ASN 30 ND2 -0.0047 -0.0028 -0.0152 35 ASN 30 H 0.0099 0.0027 0.0185 36 ASN 30 HA 0.0009 0.0168 0.0134 37 ASN 30 HB2 -0.0059 0.0024 -0.0130 38 ASN 30 HB3 0.0038 -0.0145 -0.0091 39 ASN 30 HD21 0.0020 -0.0134 -0.0117 40 ASN 30 HD22 -0.0088 0.0017 -0.0194 41 ALA 31 N -0.0003 -0.0281 0.0224 42 ALA 31 CA -0.0030 0.0189 -0.0100 43 ALA 31 C -0.0020 -0.0459 -0.0777 44 ALA 31 O -0.0041 -0.0473 -0.1651 45 ALA 31 CB -0.0082 0.1150 -0.0593 46 ALA 31 H 0.0013 -0.0865 -0.0113 47 ALA 31 HA -0.0020 0.0330 0.0529 48 ALA 31 HB1 -0.0101 0.1494 -0.0795 49 ALA 31 HB2 -0.0092 0.1023 -0.1228 50 ALA 31 HB3 -0.0089 0.1610 -0.0106 51 GLU 32 N -0.0128 -0.0926 0.0424 52 GLU 32 CA 0.0170 -0.0375 0.0586 53 GLU 32 C 0.0192 -0.0312 0.0590 54 GLU 32 O 0.0479 0.0039 0.0804 55 GLU 32 CB 0.0042 0.0162 0.0265 56 GLU 32 CG -0.0382 0.0254 -0.0250 57 GLU 32 CD -0.0481 0.0808 -0.0542 58 GLU 32 OE1 -0.0363 0.1307 -0.0569 59 GLU 32 OE2 -0.0672 0.0761 -0.0745 60 GLU 32 H -0.0408 -0.0885 0.0091 61 GLU 32 HA 0.0464 -0.0418 0.0936 62 GLU 32 HB2 0.0275 0.0560 0.0402 63 GLU 32 HB3 0.0033 0.0096 0.0276 64 GLU 32 HG2 -0.0623 -0.0134 -0.0398 65 GLU 32 HG3 -0.0380 0.0302 -0.0262 66 PHE 33 N -0.0240 -0.0528 -0.0002 67 PHE 33 CA -0.0201 -0.0494 0.0033 68 PHE 33 C -0.0246 -0.0143 -0.0155 69 PHE 33 O -0.0274 0.0088 -0.0274 70 PHE 33 CB 0.0066 -0.0496 0.0359 71 PHE 33 CG 0.0256 -0.0219 0.0487 72 PHE 33 CD1 0.0338 0.0136 0.0455 73 PHE 33 CD2 0.0350 -0.0316 0.0638 74 PHE 33 CE1 0.0509 0.0387 0.0569 75 PHE 33 CE2 0.0520 -0.0065 0.0752 76 PHE 33 CZ 0.0600 0.0287 0.0717 77 PHE 33 H -0.0119 -0.0384 0.0091 78 PHE 33 HA -0.0324 -0.0722 -0.0032 79 PHE 33 HB2 0.0102 -0.0435 0.0380 80 PHE 33 HB3 0.0089 -0.0761 0.0486 81 PHE 33 HD1 0.0268 0.0216 0.0338 82 PHE 33 HD2 0.0287 -0.0592 0.0665 83 PHE 33 HE1 0.0571 0.0663 0.0541 84 PHE 33 HE2 0.0592 -0.0144 0.0869 85 PHE 33 HZ 0.0733 0.0484 0.0806 86 ASP 34 N -0.0074 0.0501 -0.0189 87 ASP 34 CA -0.0107 0.0515 -0.0185 88 ASP 34 C -0.0018 0.0487 -0.0198 89 ASP 34 O 0.0037 0.0409 -0.0197 90 ASP 34 CB -0.0198 0.0447 -0.0158 91 ASP 34 CG -0.0244 0.0468 -0.0153 92 ASP 34 OD1 -0.0198 0.0435 -0.0157 93 ASP 34 OD2 -0.0326 0.0519 -0.0144 94 ASP 34 H -0.0068 0.0430 -0.0181 95 ASP 34 HA -0.0129 0.0595 -0.0192 96 ASP 34 HB2 -0.0257 0.0460 -0.0149 97 ASP 34 HB3 -0.0173 0.0367 -0.0152 98 PRO 35 N -0.0241 -0.0046 -0.0038 99 PRO 35 CA -0.0355 -0.0203 -0.0184 100 PRO 35 C -0.0393 -0.0345 -0.0154 101 PRO 35 O -0.0488 -0.0488 -0.0266 102 PRO 35 CB -0.0385 -0.0335 -0.0143 103 PRO 35 CG -0.0293 -0.0337 0.0087 104 PRO 35 CD -0.0197 -0.0123 0.0139 105 PRO 35 HA -0.0393 -0.0128 -0.0344 106 PRO 35 HB2 -0.0457 -0.0492 -0.0185 107 PRO 35 HB3 -0.0394 -0.0260 -0.0232 108 PRO 35 HG2 -0.0303 -0.0462 0.0172 109 PRO 35 HG3 -0.0287 -0.0361 0.0123 110 PRO 35 HD2 -0.0143 -0.0138 0.0286 111 PRO 35 HD3 -0.0157 -0.0017 0.0144 112 ASP 36 N -0.0129 -0.0107 -0.0408 113 ASP 36 CA 0.0180 -0.0021 -0.0242 114 ASP 36 C 0.0114 0.0285 0.0026 115 ASP 36 O 0.0231 0.0399 0.0165 116 ASP 36 CB 0.0529 -0.0119 -0.0237 117 ASP 36 CG 0.0857 -0.0026 -0.0060 118 ASP 36 OD1 0.0991 -0.0137 -0.0127 119 ASP 36 OD2 0.0988 0.0164 0.0153 120 ASP 36 H -0.0156 -0.0086 -0.0396 121 ASP 36 HA 0.0206 -0.0112 -0.0320 122 ASP 36 HB2 0.0577 -0.0340 -0.0431 123 ASP 36 HB3 0.0495 -0.0042 -0.0175 124 LEU 37 N -0.0081 -0.0158 0.0045 125 LEU 37 CA -0.0084 -0.0186 0.0050 126 LEU 37 C 0.0008 -0.0160 -0.0158 127 LEU 37 O 0.0056 -0.0006 -0.0270 128 LEU 37 CB -0.0151 -0.0031 0.0203 129 LEU 37 CG -0.0251 -0.0082 0.0431 130 LEU 37 CD1 -0.0272 -0.0309 0.0481 131 LEU 37 CD2 -0.0281 -0.0059 0.0500 132 LEU 37 H -0.0088 -0.0011 0.0059 133 LEU 37 HA -0.0105 -0.0353 0.0100 134 LEU 37 HB2 -0.0138 0.0131 0.0175 135 LEU 37 HB3 -0.0136 -0.0026 0.0169 136 LEU 37 HG -0.0287 0.0034 0.0515 137 LEU 37 HD11 -0.0342 -0.0340 0.0641 138 LEU 37 HD12 -0.0236 -0.0433 0.0398 139 LEU 37 HD13 -0.0255 -0.0318 0.0442 140 LEU 37 HD21 -0.0350 -0.0098 0.0659 141 LEU 37 HD22 -0.0269 0.0108 0.0474 142 LEU 37 HD23 -0.0243 -0.0172 0.0415 143 PRO 38 N 0.0051 -0.0060 -0.0111 144 PRO 38 CA 0.0071 -0.0052 -0.0179 145 PRO 38 C 0.0040 0.0039 -0.0181 146 PRO 38 O 0.0005 0.0069 -0.0110 147 PRO 38 CB 0.0087 -0.0128 -0.0145 148 PRO 38 CG 0.0090 -0.0193 -0.0085 149 PRO 38 CD 0.0056 -0.0137 -0.0042 150 PRO 38 HA 0.0097 -0.0061 -0.0245 151 PRO 38 HB2 0.0065 -0.0100 -0.0109 152 PRO 38 HB3 0.0117 -0.0159 -0.0203 153 PRO 38 HG2 0.0085 -0.0228 -0.0034 154 PRO 38 HG3 0.0120 -0.0240 -0.0125 155 PRO 38 HD2 0.0027 -0.0115 0.0021 156 PRO 38 HD3 0.0065 -0.0175 -0.0030 157 GLY 39 N 0.0037 -0.0020 -0.0148 158 GLY 39 CA 0.0028 0.0002 -0.0150 159 GLY 39 C 0.0010 0.0030 -0.0145 160 GLY 39 O -0.0005 0.0048 -0.0138 161 GLY 39 H 0.0051 -0.0024 -0.0164 162 GLY 39 HA2 0.0040 0.0008 -0.0170 163 GLY 39 HA3 0.0021 -0.0006 -0.0136 164 GLY 40 N -0.0020 0.0104 -0.0108 165 GLY 40 CA -0.0022 0.0133 -0.0075 166 GLY 40 C -0.0048 0.0125 -0.0076 167 GLY 40 O -0.0049 0.0147 -0.0052 168 GLY 40 H -0.0038 0.0099 -0.0108 169 GLY 40 HA2 -0.0040 0.0149 -0.0054 170 GLY 40 HA3 0.0012 0.0146 -0.0072 171 GLY 41 N -0.0024 0.0093 -0.0065 172 GLY 41 CA -0.0035 0.0087 -0.0067 173 GLY 41 C 0.0005 0.0096 -0.0080 174 GLY 41 O 0.0002 0.0096 -0.0079 175 GLY 41 H -0.0030 0.0079 -0.0086 176 GLY 41 HA2 -0.0056 0.0067 -0.0088 177 GLY 41 HA3 -0.0051 0.0097 -0.0037 178 LEU 42 N 0.0008 0.0044 -0.0137 179 LEU 42 CA 0.0052 -0.0108 -0.0135 180 LEU 42 C 0.0047 -0.0069 -0.0151 181 LEU 42 O 0.0089 -0.0182 -0.0174 182 LEU 42 CB 0.0021 -0.0218 0.0027 183 LEU 42 CG 0.0023 -0.0273 0.0064 184 LEU 42 CD1 -0.0011 -0.0378 0.0231 185 LEU 42 CD2 0.0105 -0.0372 -0.0072 186 LEU 42 H -0.0048 0.0090 -0.0030 187 LEU 42 HA 0.0112 -0.0180 -0.0235 188 LEU 42 HB2 -0.0039 -0.0147 0.0126 189 LEU 42 HB3 0.0055 -0.0331 0.0026 190 LEU 42 HG -0.0013 -0.0159 0.0070 191 LEU 42 HD11 -0.0009 -0.0416 0.0255 192 LEU 42 HD12 0.0022 -0.0490 0.0232 193 LEU 42 HD13 -0.0071 -0.0302 0.0328 194 LEU 42 HD21 0.0142 -0.0484 -0.0082 195 LEU 42 HD22 0.0104 -0.0410 -0.0041 196 LEU 42 HD23 0.0127 -0.0292 -0.0188 197 HIS 43 N 0.0025 -0.0012 -0.0214 198 HIS 43 CA 0.0021 0.0003 -0.0206 199 HIS 43 C 0.0033 0.0035 -0.0227 200 HIS 43 O 0.0030 0.0066 -0.0222 201 HIS 43 CB 0.0002 0.0015 -0.0169 202 HIS 43 CG -0.0011 -0.0014 -0.0145 203 HIS 43 ND1 -0.0017 -0.0040 -0.0133 204 HIS 43 CD2 -0.0019 -0.0020 -0.0129 205 HIS 43 CE1 -0.0029 -0.0061 -0.0112 206 HIS 43 NE2 -0.0030 -0.0050 -0.0109 207 HIS 43 H 0.0026 0.0004 -0.0215 208 HIS 43 HA 0.0023 -0.0018 -0.0210 209 HIS 43 HB2 0.0001 0.0040 -0.0166 210 HIS 43 HB3 -0.0000 0.0023 -0.0164 211 HIS 43 HD1 -0.0013 -0.0044 -0.0141 212 HIS 43 HD2 -0.0017 -0.0004 -0.0132 213 HIS 43 HE1 -0.0036 -0.0084 -0.0098 214 HIS 43 HE2 -0.0036 -0.0064 -0.0098 215 ARG 44 N 0.0006 0.0063 -0.0201 216 ARG 44 CA -0.0013 0.0032 -0.0181 217 ARG 44 C -0.0001 0.0053 -0.0203 218 ARG 44 O 0.0028 0.0100 -0.0212 219 ARG 44 CB -0.0011 0.0036 -0.0113 220 ARG 44 CG -0.0015 0.0030 -0.0078 221 ARG 44 CD -0.0009 0.0040 -0.0011 222 ARG 44 NE -0.0010 0.0039 0.0026 223 ARG 44 CZ -0.0009 0.0041 0.0086 224 ARG 44 NH1 -0.0006 0.0045 0.0116 225 ARG 44 NH2 -0.0011 0.0038 0.0116 226 ARG 44 H 0.0028 0.0100 -0.0195 227 ARG 44 HA -0.0038 -0.0008 -0.0192 228 ARG 44 HB2 0.0011 0.0072 -0.0102 229 ARG 44 HB3 -0.0030 0.0006 -0.0098 230 ARG 44 HG2 -0.0039 -0.0009 -0.0084 231 ARG 44 HG3 0.0002 0.0058 -0.0095 232 ARG 44 HD2 0.0014 0.0078 -0.0006 233 ARG 44 HD3 -0.0027 0.0011 0.0004 234 ARG 44 HE -0.0012 0.0036 0.0003 235 ARG 44 HH11 -0.0005 0.0048 0.0095 236 ARG 44 HH12 -0.0005 0.0047 0.0161 237 ARG 44 HH21 -0.0013 0.0034 0.0096 238 ARG 44 HH22 -0.0010 0.0039 0.0162 239 CYS 45 N -0.0041 0.0065 -0.0091 240 CYS 45 CA -0.0057 0.0067 -0.0038 241 CYS 45 C -0.0051 0.0064 -0.0027 242 CYS 45 O -0.0010 0.0050 -0.0029 243 CYS 45 CB -0.0027 0.0054 0.0001 244 CYS 45 SG -0.0040 0.0054 0.0071 245 CYS 45 H -0.0007 0.0054 -0.0103 246 CYS 45 HA -0.0096 0.0080 -0.0036 247 CYS 45 HB2 -0.0037 0.0058 -0.0006 248 CYS 45 HB3 0.0012 0.0042 -0.0008 249 LEU 46 N -0.0092 0.0115 0.0088 250 LEU 46 CA -0.0031 0.0106 0.0028 251 LEU 46 C 0.0060 0.0166 0.0088 252 LEU 46 O 0.0154 0.0174 0.0039 253 LEU 46 CB -0.0114 0.0065 0.0003 254 LEU 46 CG -0.0204 0.0001 -0.0064 255 LEU 46 CD1 -0.0288 -0.0033 -0.0077 256 LEU 46 CD2 -0.0149 -0.0035 -0.0174 257 LEU 46 H -0.0172 0.0101 0.0115 258 LEU 46 HA 0.0011 0.0083 -0.0047 259 LEU 46 HB2 -0.0157 0.0088 0.0078 260 LEU 46 HB3 -0.0067 0.0060 -0.0040 261 LEU 46 HG -0.0247 0.0008 -0.0022 262 LEU 46 HD11 -0.0332 -0.0009 0.0001 263 LEU 46 HD12 -0.0348 -0.0079 -0.0127 264 LEU 46 HD13 -0.0242 -0.0036 -0.0113 265 LEU 46 HD21 -0.0096 -0.0012 -0.0164 266 LEU 46 HD22 -0.0099 -0.0038 -0.0215 267 LEU 46 HD23 -0.0215 -0.0080 -0.0220 268 ALA 47 N -0.0059 0.0128 0.0156 269 ALA 47 CA -0.0059 0.0112 0.0169 270 ALA 47 C -0.0042 0.0104 0.0166 271 ALA 47 O -0.0042 0.0092 0.0176 272 ALA 47 CB -0.0058 0.0101 0.0177 273 ALA 47 H -0.0058 0.0130 0.0153 274 ALA 47 HA -0.0071 0.0113 0.0175 275 ALA 47 HB1 -0.0058 0.0090 0.0187 276 ALA 47 HB2 -0.0045 0.0100 0.0171 277 ALA 47 HB3 -0.0069 0.0107 0.0179 278 CYS 48 N 0.0050 0.0103 0.0036 279 CYS 48 CA 0.0075 0.0066 0.0024 280 CYS 48 C 0.0093 0.0028 -0.0000 281 CYS 48 O 0.0119 -0.0004 -0.0005 282 CYS 48 CB 0.0056 0.0067 0.0000 283 CYS 48 SG 0.0046 0.0105 0.0033 284 CYS 48 H 0.0025 0.0110 0.0013 285 CYS 48 HA 0.0100 0.0066 0.0055 286 CYS 48 HB2 0.0028 0.0074 -0.0028 287 CYS 48 HB3 0.0076 0.0040 -0.0007 288 ALA 49 N 0.0062 0.0058 -0.0016 289 ALA 49 CA 0.0073 -0.0015 -0.0007 290 ALA 49 C 0.0019 -0.0062 -0.0035 291 ALA 49 O 0.0025 -0.0126 -0.0030 292 ALA 49 CB 0.0132 -0.0040 0.0027 293 ALA 49 H 0.0063 0.0093 -0.0016 294 ALA 49 HA 0.0079 -0.0016 -0.0004 295 ALA 49 HB1 0.0127 -0.0039 0.0024 296 ALA 49 HB2 0.0169 -0.0006 0.0047 297 ALA 49 HB3 0.0141 -0.0092 0.0034 298 ARG 50 N 0.0034 -0.0026 -0.0042 299 ARG 50 CA -0.0000 -0.0046 -0.0056 300 ARG 50 C 0.0001 -0.0043 -0.0058 301 ARG 50 O 0.0022 -0.0015 -0.0067 302 ARG 50 CB -0.0025 -0.0036 -0.0093 303 ARG 50 CG -0.0031 -0.0042 -0.0093 304 ARG 50 CD -0.0056 -0.0032 -0.0130 305 ARG 50 NE -0.0061 -0.0036 -0.0131 306 ARG 50 CZ -0.0079 -0.0026 -0.0161 307 ARG 50 NH1 -0.0096 -0.0013 -0.0192 308 ARG 50 NH2 -0.0082 -0.0030 -0.0159 309 ARG 50 H 0.0046 -0.0001 -0.0057 310 ARG 50 HA -0.0010 -0.0072 -0.0038 311 ARG 50 HB2 -0.0015 -0.0010 -0.0111 312 ARG 50 HB3 -0.0050 -0.0052 -0.0102 313 ARG 50 HG2 -0.0042 -0.0068 -0.0076 314 ARG 50 HG3 -0.0006 -0.0027 -0.0084 315 ARG 50 HD2 -0.0045 -0.0005 -0.0148 316 ARG 50 HD3 -0.0080 -0.0047 -0.0139 317 ARG 50 HE -0.0050 -0.0046 -0.0108 318 ARG 50 HH11 -0.0094 -0.0010 -0.0194 319 ARG 50 HH12 -0.0110 -0.0006 -0.0215 320 ARG 50 HH21 -0.0071 -0.0040 -0.0136 321 ARG 50 HH22 -0.0095 -0.0023 -0.0181 322 TYR 51 N -0.0046 -0.0109 -0.0099 323 TYR 51 CA -0.0037 -0.0071 -0.0136 324 TYR 51 C -0.0039 -0.0090 -0.0217 325 TYR 51 O -0.0051 -0.0155 -0.0238 326 TYR 51 CB -0.0043 -0.0094 -0.0103 327 TYR 51 CG -0.0043 -0.0083 -0.0019 328 TYR 51 CD1 -0.0055 -0.0137 0.0029 329 TYR 51 CD2 -0.0031 -0.0018 0.0011 330 TYR 51 CE1 -0.0055 -0.0127 0.0105 331 TYR 51 CE2 -0.0031 -0.0008 0.0087 332 TYR 51 CZ -0.0043 -0.0063 0.0133 333 TYR 51 OH -0.0043 -0.0054 0.0209 334 TYR 51 H -0.0057 -0.0161 -0.0093 335 TYR 51 HA -0.0026 -0.0013 -0.0127 336 TYR 51 HB2 -0.0054 -0.0151 -0.0114 337 TYR 51 HB3 -0.0036 -0.0064 -0.0129 338 TYR 51 HD1 -0.0065 -0.0188 0.0007 339 TYR 51 HD2 -0.0021 0.0025 -0.0026 340 TYR 51 HE1 -0.0065 -0.0170 0.0142 341 TYR 51 HE2 -0.0021 0.0042 0.0109 342 TYR 51 HH -0.0053 -0.0099 0.0229 343 PHE 52 N 0.0070 0.0059 -0.0184 344 PHE 52 CA 0.0081 0.0059 -0.0164 345 PHE 52 C 0.0075 0.0061 -0.0184 346 PHE 52 O 0.0052 0.0057 -0.0204 347 PHE 52 CB 0.0063 0.0046 -0.0132 348 PHE 52 CG 0.0068 0.0044 -0.0111 349 PHE 52 CD1 0.0049 0.0038 -0.0117 350 PHE 52 CD2 0.0091 0.0046 -0.0084 351 PHE 52 CE1 0.0053 0.0036 -0.0098 352 PHE 52 CE2 0.0095 0.0044 -0.0064 353 PHE 52 CZ 0.0076 0.0038 -0.0071 354 PHE 52 H 0.0047 0.0053 -0.0190 355 PHE 52 HA 0.0106 0.0067 -0.0158 356 PHE 52 HB2 0.0038 0.0039 -0.0139 357 PHE 52 HB3 0.0072 0.0047 -0.0118 358 PHE 52 HD1 0.0031 0.0036 -0.0138 359 PHE 52 HD2 0.0105 0.0050 -0.0079 360 PHE 52 HE1 0.0038 0.0032 -0.0103 361 PHE 52 HE2 0.0112 0.0046 -0.0044 362 PHE 52 HZ 0.0079 0.0036 -0.0056 363 ILE 53 N 0.0205 0.0080 -0.0138 364 ILE 53 CA 0.0141 -0.0006 -0.0093 365 ILE 53 C 0.0054 -0.0133 -0.0038 366 ILE 53 O 0.0014 -0.0248 -0.0048 367 ILE 53 CB 0.0112 0.0090 0.0011 368 ILE 53 CG1 0.0066 0.0169 0.0129 369 ILE 53 CG2 0.0195 0.0197 -0.0051 370 ILE 53 CD1 0.0032 0.0262 0.0238 371 ILE 53 H 0.0218 0.0183 -0.0094 372 ILE 53 HA 0.0179 -0.0049 -0.0177 373 ILE 53 HB 0.0060 0.0017 0.0044 374 ILE 53 HG12 0.0117 0.0239 0.0096 375 ILE 53 HG13 0.0007 0.0088 0.0170 376 ILE 53 HG21 0.0250 0.0267 -0.0092 377 ILE 53 HG22 0.0222 0.0138 -0.0128 378 ILE 53 HG23 0.0173 0.0264 0.0024 379 ILE 53 HD11 -0.0021 0.0193 0.0278 380 ILE 53 HD12 0.0003 0.0315 0.0316 381 ILE 53 HD13 0.0090 0.0343 0.0200 382 ASP 54 N 0.0067 0.0064 0.0018 383 ASP 54 CA 0.0059 -0.0039 0.0070 384 ASP 54 C 0.0076 -0.0076 0.0015 385 ASP 54 O 0.0085 -0.0005 -0.0034 386 ASP 54 CB 0.0025 -0.0018 0.0193 387 ASP 54 CG 0.0014 -0.0123 0.0256 388 ASP 54 OD1 0.0009 -0.0191 0.0288 389 ASP 54 OD2 0.0010 -0.0138 0.0273 390 ASP 54 H 0.0072 0.0118 -0.0014 391 ASP 54 HA 0.0065 -0.0104 0.0061 392 ASP 54 HB2 0.0013 0.0012 0.0229 393 ASP 54 HB3 0.0019 0.0046 0.0202 394 SER 55 N 0.0056 -0.0041 0.0046 395 SER 55 CA 0.0076 -0.0036 0.0026 396 SER 55 C 0.0056 0.0007 0.0034 397 SER 55 O 0.0074 0.0032 0.0011 398 SER 55 CB 0.0082 -0.0084 0.0034 399 SER 55 OG 0.0100 -0.0081 0.0015 400 SER 55 H 0.0047 -0.0072 0.0063 401 SER 55 HA 0.0103 -0.0028 -0.0001 402 SER 55 HB2 0.0099 -0.0112 0.0024 403 SER 55 HB3 0.0056 -0.0096 0.0061 404 SER 55 HG 0.0082 -0.0070 0.0030 405 THR 56 N 0.0122 0.0075 0.0084 406 THR 56 CA 0.0114 0.0064 0.0023 407 THR 56 C 0.0072 0.0026 0.0018 408 THR 56 O 0.0071 0.0023 -0.0018 409 THR 56 CB 0.0107 0.0056 -0.0010 410 THR 56 OG1 0.0144 0.0090 0.0001 411 THR 56 CG2 0.0104 0.0050 -0.0077 412 THR 56 H 0.0121 0.0074 0.0099 413 THR 56 HA 0.0142 0.0088 0.0002 414 THR 56 HB 0.0077 0.0029 0.0007 415 THR 56 HG1 0.0137 0.0086 0.0039 416 THR 56 HG21 0.0099 0.0044 -0.0099 417 THR 56 HG22 0.0135 0.0076 -0.0094 418 THR 56 HG23 0.0077 0.0024 -0.0085 419 ASN 57 N 0.0069 -0.0012 0.0104 420 ASN 57 CA 0.0067 0.0047 0.0072 421 ASN 57 C 0.0054 0.0025 0.0002 422 ASN 57 O 0.0052 0.0045 -0.0017 423 ASN 57 CB 0.0070 0.0114 0.0065 424 ASN 57 CG 0.0084 0.0158 0.0132 425 ASN 57 OD1 0.0089 0.0207 0.0143 426 ASN 57 ND2 0.0091 0.0143 0.0177 427 ASN 57 H 0.0070 -0.0005 0.0106 428 ASN 57 HA 0.0074 0.0059 0.0107 429 ASN 57 HB2 0.0067 0.0095 0.0052 430 ASN 57 HB3 0.0064 0.0146 0.0021 431 ASN 57 HD21 0.0087 0.0104 0.0168 432 ASN 57 HD22 0.0100 0.0172 0.0220 433 LEU 58 N 0.0069 0.0045 -0.0010 434 LEU 58 CA 0.0044 0.0040 -0.0004 435 LEU 58 C 0.0024 0.0023 0.0030 436 LEU 58 O 0.0024 0.0014 0.0052 437 LEU 58 CB 0.0017 0.0049 -0.0037 438 LEU 58 CG -0.0016 0.0044 -0.0035 439 LEU 58 CD1 -0.0049 0.0032 -0.0017 440 LEU 58 CD2 -0.0004 0.0038 -0.0018 441 LEU 58 H 0.0063 0.0053 -0.0030 442 LEU 58 HA 0.0061 0.0041 -0.0002 443 LEU 58 HB2 0.0033 0.0060 -0.0058 444 LEU 58 HB3 0.0005 0.0050 -0.0043 445 LEU 58 HG -0.0028 0.0052 -0.0061 446 LEU 58 HD11 -0.0071 0.0028 -0.0016 447 LEU 58 HD12 -0.0039 0.0023 0.0009 448 LEU 58 HD13 -0.0058 0.0036 -0.0031 449 LEU 58 HD21 0.0006 0.0029 0.0009 450 LEU 58 HD22 -0.0027 0.0035 -0.0018 451 LEU 58 HD23 0.0018 0.0047 -0.0032 452 LYS 59 N 0.0005 0.0048 0.0163 453 LYS 59 CA 0.0014 0.0063 0.0147 454 LYS 59 C 0.0029 -0.0038 0.0107 455 LYS 59 O 0.0016 -0.0060 0.0130 456 LYS 59 CB 0.0047 0.0160 0.0086 457 LYS 59 CG 0.0095 0.0154 -0.0015 458 LYS 59 CD 0.0124 0.0257 -0.0067 459 LYS 59 CE 0.0133 0.0280 -0.0083 460 LYS 59 NZ 0.0160 0.0201 -0.0146 461 LYS 59 H 0.0022 0.0089 0.0131 462 LYS 59 HA -0.0019 0.0076 0.0217 463 LYS 59 HB2 0.0050 0.0172 0.0081 464 LYS 59 HB3 0.0033 0.0228 0.0120 465 LYS 59 HG2 0.0093 0.0139 -0.0011 466 LYS 59 HG3 0.0110 0.0090 -0.0053 467 LYS 59 HD2 0.0107 0.0320 -0.0025 468 LYS 59 HD3 0.0157 0.0253 -0.0135 469 LYS 59 HE2 0.0100 0.0282 -0.0015 470 LYS 59 HE3 0.0151 0.0357 -0.0115 471 LYS 59 HZ1 0.0192 0.0201 -0.0214 472 LYS 59 HZ2 0.0164 0.0220 -0.0155 473 LYS 59 HZ3 0.0144 0.0124 -0.0120 474 THR 60 N 0.0043 0.0029 0.0051 475 THR 60 CA 0.0053 -0.0074 0.0006 476 THR 60 C 0.0060 -0.0166 0.0144 477 THR 60 O 0.0064 -0.0208 0.0158 478 THR 60 CB 0.0062 -0.0178 -0.0122 479 THR 60 OG1 0.0055 -0.0089 -0.0249 480 THR 60 CG2 0.0072 -0.0286 -0.0169 481 THR 60 H 0.0045 0.0017 0.0007 482 THR 60 HA 0.0047 -0.0008 -0.0032 483 THR 60 HB 0.0067 -0.0238 -0.0077 484 THR 60 HG1 0.0050 -0.0039 -0.0227 485 THR 60 HG21 0.0079 -0.0357 -0.0258 486 THR 60 HG22 0.0067 -0.0224 -0.0209 487 THR 60 HG23 0.0078 -0.0354 -0.0074 488 HIS 61 N 0.0037 -0.0071 0.0155 489 HIS 61 CA 0.0032 -0.0070 0.0150 490 HIS 61 C 0.0004 -0.0094 0.0163 491 HIS 61 O 0.0005 -0.0100 0.0172 492 HIS 61 CB 0.0025 -0.0047 0.0117 493 HIS 61 CG 0.0009 -0.0049 0.0108 494 HIS 61 ND1 0.0024 -0.0047 0.0115 495 HIS 61 CD2 -0.0024 -0.0054 0.0094 496 HIS 61 CE1 0.0002 -0.0051 0.0106 497 HIS 61 NE2 -0.0027 -0.0055 0.0093 498 HIS 61 H 0.0032 -0.0060 0.0138 499 HIS 61 HA 0.0055 -0.0068 0.0162 500 HIS 61 HB2 0.0049 -0.0032 0.0112 501 HIS 61 HB3 0.0010 -0.0045 0.0104 502 HIS 61 HD1 0.0048 -0.0043 0.0126 503 HIS 61 HD2 -0.0043 -0.0056 0.0084 504 HIS 61 HE1 0.0002 -0.0052 0.0108 505 PHE 62 N -0.0005 -0.0025 0.0163 506 PHE 62 CA -0.0022 -0.0034 0.0176 507 PHE 62 C -0.0013 -0.0052 0.0184 508 PHE 62 O -0.0025 -0.0060 0.0195 509 PHE 62 CB -0.0040 -0.0020 0.0175 510 PHE 62 CG -0.0049 -0.0001 0.0166 511 PHE 62 CD1 -0.0057 -0.0000 0.0169 512 PHE 62 CD2 -0.0049 0.0017 0.0154 513 PHE 62 CE1 -0.0065 0.0017 0.0161 514 PHE 62 CE2 -0.0057 0.0034 0.0146 515 PHE 62 CZ -0.0065 0.0035 0.0149 516 PHE 62 H -0.0001 -0.0014 0.0154 517 PHE 62 HA -0.0029 -0.0040 0.0183 518 PHE 62 HB2 -0.0035 -0.0017 0.0170 519 PHE 62 HB3 -0.0053 -0.0027 0.0186 520 PHE 62 HD1 -0.0058 -0.0014 0.0179 521 PHE 62 HD2 -0.0042 0.0017 0.0151 522 PHE 62 HE1 -0.0072 0.0017 0.0164 523 PHE 62 HE2 -0.0056 0.0048 0.0136 524 PHE 62 HZ -0.0070 0.0049 0.0142 525 ARG 63 N 0.0067 0.0002 0.0229 526 ARG 63 CA 0.0035 0.0058 0.0196 527 ARG 63 C 0.0054 0.0083 0.0199 528 ARG 63 O 0.0029 0.0128 0.0173 529 ARG 63 CB -0.0034 0.0040 0.0165 530 ARG 63 CG -0.0056 0.0028 0.0157 531 ARG 63 CD -0.0125 0.0010 0.0126 532 ARG 63 NE -0.0158 0.0061 0.0094 533 ARG 63 CZ -0.0218 0.0063 0.0062 534 ARG 63 NH1 -0.0252 0.0019 0.0057 535 ARG 63 NH2 -0.0243 0.0110 0.0035 536 ARG 63 H 0.0046 -0.0044 0.0231 537 ARG 63 HA 0.0049 0.0098 0.0193 538 ARG 63 HB2 -0.0048 -0.0005 0.0171 539 ARG 63 HB3 -0.0056 0.0080 0.0142 540 ARG 63 HG2 -0.0043 0.0073 0.0151 541 ARG 63 HG3 -0.0034 -0.0012 0.0180 542 ARG 63 HD2 -0.0138 0.0004 0.0121 543 ARG 63 HD3 -0.0137 -0.0037 0.0133 544 ARG 63 HE -0.0133 0.0095 0.0098 545 ARG 63 HH11 -0.0234 -0.0017 0.0076 546 ARG 63 HH12 -0.0298 0.0019 0.0033 547 ARG 63 HH21 -0.0218 0.0145 0.0039 548 ARG 63 HH22 -0.0288 0.0114 0.0010 549 SER 64 N -0.0050 -0.0023 0.0089 550 SER 64 CA -0.0067 -0.0003 0.0042 551 SER 64 C -0.0016 -0.0009 0.0002 552 SER 64 O 0.0017 -0.0023 0.0013 553 SER 64 CB -0.0093 0.0000 0.0060 554 SER 64 OG -0.0132 -0.0000 0.0107 555 SER 64 H -0.0042 -0.0036 0.0121 556 SER 64 HA -0.0096 0.0013 0.0023 557 SER 64 HB2 -0.0062 -0.0014 0.0071 558 SER 64 HB3 -0.0113 0.0018 0.0027 559 SER 64 HG -0.0164 0.0014 0.0096 560 LYS 65 N -0.0058 -0.0155 -0.0401 561 LYS 65 CA -0.0089 0.0019 -0.0257 562 LYS 65 C 0.0045 -0.0000 -0.0075 563 LYS 65 O 0.0030 0.0107 0.0019 564 LYS 65 CB -0.0170 0.0160 -0.0226 565 LYS 65 CG -0.0100 0.0098 -0.0188 566 LYS 65 CD 0.0052 0.0053 -0.0006 567 LYS 65 CE 0.0115 -0.0008 0.0022 568 LYS 65 NZ 0.0266 -0.0062 0.0193 569 LYS 65 H -0.0073 -0.0180 -0.0451 570 LYS 65 HA -0.0165 0.0072 -0.0315 571 LYS 65 HB2 -0.0176 0.0277 -0.0107 572 LYS 65 HB3 -0.0282 0.0206 -0.0347 573 LYS 65 HG2 -0.0173 0.0204 -0.0182 574 LYS 65 HG3 -0.0090 -0.0022 -0.0304 575 LYS 65 HD2 0.0127 -0.0053 -0.0009 576 LYS 65 HD3 0.0040 0.0175 0.0108 577 LYS 65 HE2 0.0043 0.0103 0.0035 578 LYS 65 HE3 0.0117 -0.0122 -0.0099 579 LYS 65 HZ1 0.0269 0.0044 0.0313 580 LYS 65 HZ2 0.0340 -0.0172 0.0185 581 LYS 65 HZ3 0.0305 -0.0100 0.0210 582 ASP 66 N -0.0046 -0.0009 -0.0156 583 ASP 66 CA -0.0012 -0.0013 -0.0126 584 ASP 66 C 0.0007 -0.0035 -0.0113 585 ASP 66 O 0.0034 -0.0027 -0.0087 586 ASP 66 CB -0.0004 -0.0036 -0.0123 587 ASP 66 CG 0.0030 -0.0034 -0.0092 588 ASP 66 OD1 0.0036 -0.0004 -0.0082 589 ASP 66 OD2 0.0051 -0.0062 -0.0078 590 ASP 66 H -0.0060 -0.0026 -0.0172 591 ASP 66 HA -0.0005 0.0019 -0.0115 592 ASP 66 HB2 -0.0021 -0.0023 -0.0136 593 ASP 66 HB3 -0.0008 -0.0069 -0.0132 594 HIS 67 N -0.0012 -0.0022 -0.0046 595 HIS 67 CA -0.0004 -0.0021 -0.0007 596 HIS 67 C 0.0044 -0.0036 -0.0009 597 HIS 67 O 0.0050 -0.0038 -0.0011 598 HIS 67 CB -0.0010 -0.0015 0.0043 599 HIS 67 CG -0.0008 -0.0012 0.0086 600 HIS 67 ND1 -0.0024 -0.0008 0.0083 601 HIS 67 CD2 -0.0005 -0.0010 0.0132 602 HIS 67 CE1 -0.0032 -0.0002 0.0127 603 HIS 67 NE2 -0.0022 -0.0002 0.0158 604 HIS 67 H -0.0018 -0.0019 -0.0037 605 HIS 67 HA -0.0029 -0.0014 -0.0012 606 HIS 67 HB2 -0.0045 -0.0004 0.0049 607 HIS 67 HB3 0.0015 -0.0022 0.0051 608 HIS 67 HD1 -0.0029 -0.0009 0.0054 609 HIS 67 HD2 0.0015 -0.0015 0.0143 610 HIS 67 HE1 -0.0045 0.0003 0.0138 611 LYS 68 N 0.0037 -0.0010 -0.0001 612 LYS 68 CA 0.0063 -0.0022 -0.0001 613 LYS 68 C 0.0075 -0.0019 -0.0027 614 LYS 68 O 0.0095 -0.0028 -0.0031 615 LYS 68 CB 0.0068 -0.0027 0.0009 616 LYS 68 CG 0.0054 -0.0029 0.0034 617 LYS 68 CD 0.0059 -0.0034 0.0043 618 LYS 68 CE 0.0052 -0.0025 0.0024 619 LYS 68 NZ 0.0056 -0.0029 0.0033 620 LYS 68 H 0.0027 -0.0006 0.0001 621 LYS 68 HA 0.0068 -0.0028 0.0012 622 LYS 68 HB2 0.0064 -0.0021 -0.0005 623 LYS 68 HB3 0.0087 -0.0037 0.0011 624 LYS 68 HG2 0.0055 -0.0034 0.0048 625 LYS 68 HG3 0.0035 -0.0019 0.0033 626 LYS 68 HD2 0.0078 -0.0043 0.0044 627 LYS 68 HD3 0.0050 -0.0035 0.0061 628 LYS 68 HE2 0.0033 -0.0016 0.0023 629 LYS 68 HE3 0.0062 -0.0024 0.0006 630 LYS 68 HZ1 0.0074 -0.0038 0.0035 631 LYS 68 HZ2 0.0050 -0.0023 0.0021 632 LYS 68 HZ3 0.0046 -0.0030 0.0050 633 LYS 69 N 0.0011 -0.0025 -0.0096 634 LYS 69 CA 0.0022 -0.0011 -0.0079 635 LYS 69 C 0.0047 -0.0017 -0.0092 636 LYS 69 O 0.0047 -0.0015 -0.0090 637 LYS 69 CB 0.0036 0.0006 -0.0058 638 LYS 69 CG 0.0057 0.0021 -0.0042 639 LYS 69 CD 0.0070 0.0035 -0.0025 640 LYS 69 CE 0.0093 0.0051 -0.0008 641 LYS 69 NZ 0.0105 0.0063 0.0006 642 LYS 69 H 0.0012 -0.0022 -0.0092 643 LYS 69 HA 0.0004 -0.0008 -0.0070 644 LYS 69 HB2 0.0017 0.0012 -0.0046 645 LYS 69 HB3 0.0048 0.0001 -0.0068 646 LYS 69 HG2 0.0075 0.0014 -0.0055 647 LYS 69 HG3 0.0044 0.0027 -0.0030 648 LYS 69 HD2 0.0051 0.0040 -0.0014 649 LYS 69 HD3 0.0080 0.0027 -0.0038 650 LYS 69 HE2 0.0112 0.0045 -0.0020 651 LYS 69 HE3 0.0083 0.0059 0.0005 652 LYS 69 HZ1 0.0122 0.0074 0.0017 653 LYS 69 HZ2 0.0115 0.0055 -0.0007 654 LYS 69 HZ3 0.0087 0.0068 0.0016 655 ARG 70 N 0.0049 -0.0033 -0.0094 656 ARG 70 CA 0.0040 -0.0040 -0.0060 657 ARG 70 C 0.0046 -0.0011 -0.0041 658 ARG 70 O 0.0043 -0.0004 -0.0012 659 ARG 70 CB 0.0031 -0.0069 -0.0056 660 ARG 70 CG 0.0021 -0.0080 -0.0021 661 ARG 70 CD 0.0016 -0.0087 -0.0007 662 ARG 70 NE 0.0007 -0.0096 0.0028 663 ARG 70 CZ 0.0004 -0.0090 0.0050 664 ARG 70 NH1 0.0010 -0.0076 0.0042 665 ARG 70 NH2 -0.0004 -0.0099 0.0081 666 ARG 70 H 0.0048 -0.0045 -0.0111 667 ARG 70 HA 0.0037 -0.0044 -0.0049 668 ARG 70 HB2 0.0028 -0.0089 -0.0072 669 ARG 70 HB3 0.0034 -0.0063 -0.0065 670 ARG 70 HG2 0.0014 -0.0101 -0.0021 671 ARG 70 HG3 0.0024 -0.0060 -0.0006 672 ARG 70 HD2 0.0022 -0.0066 -0.0007 673 ARG 70 HD3 0.0012 -0.0107 -0.0021 674 ARG 70 HE 0.0002 -0.0106 0.0034 675 ARG 70 HH11 0.0017 -0.0069 0.0019 676 ARG 70 HH12 0.0008 -0.0072 0.0059 677 ARG 70 HH21 -0.0009 -0.0110 0.0087 678 ARG 70 HH22 -0.0007 -0.0096 0.0099 679 LEU 71 N 0.0033 -0.0022 -0.0021 680 LEU 71 CA 0.0042 -0.0023 -0.0013 681 LEU 71 C 0.0052 -0.0033 -0.0022 682 LEU 71 O 0.0054 -0.0034 -0.0022 683 LEU 71 CB 0.0051 -0.0022 0.0002 684 LEU 71 CG 0.0043 -0.0012 0.0013 685 LEU 71 CD1 0.0054 -0.0011 0.0028 686 LEU 71 CD2 0.0031 -0.0003 0.0018 687 LEU 71 H 0.0035 -0.0022 -0.0018 688 LEU 71 HA 0.0034 -0.0018 -0.0009 689 LEU 71 HB2 0.0059 -0.0027 -0.0002 690 LEU 71 HB3 0.0058 -0.0022 0.0008 691 LEU 71 HG 0.0038 -0.0011 0.0008 692 LEU 71 HD11 0.0060 -0.0012 0.0034 693 LEU 71 HD12 0.0062 -0.0017 0.0025 694 LEU 71 HD13 0.0048 -0.0004 0.0036 695 LEU 71 HD21 0.0023 -0.0003 0.0008 696 LEU 71 HD22 0.0036 -0.0004 0.0023 697 LEU 71 HD23 0.0026 0.0003 0.0026 698 LYS 72 N 0.0013 -0.0036 -0.0042 699 LYS 72 CA 0.0006 -0.0025 -0.0033 700 LYS 72 C 0.0012 -0.0025 -0.0019 701 LYS 72 O 0.0008 -0.0018 -0.0013 702 LYS 72 CB 0.0002 -0.0019 -0.0030 703 LYS 72 CG -0.0006 -0.0007 -0.0021 704 LYS 72 CD -0.0011 -0.0003 -0.0020 705 LYS 72 CE -0.0018 0.0009 -0.0010 706 LYS 72 NZ -0.0023 0.0014 -0.0010 707 LYS 72 H 0.0015 -0.0038 -0.0045 708 LYS 72 HA -0.0001 -0.0020 -0.0038 709 LYS 72 HB2 -0.0003 -0.0019 -0.0040 710 LYS 72 HB3 0.0009 -0.0024 -0.0025 711 LYS 72 HG2 -0.0002 -0.0007 -0.0010 712 LYS 72 HG3 -0.0013 -0.0003 -0.0025 713 LYS 72 HD2 -0.0015 -0.0003 -0.0030 714 LYS 72 HD3 -0.0004 -0.0007 -0.0015 715 LYS 72 HE2 -0.0014 0.0009 0.0000 716 LYS 72 HE3 -0.0025 0.0014 -0.0015 717 LYS 72 HZ1 -0.0017 0.0010 -0.0006 718 LYS 72 HZ2 -0.0028 0.0014 -0.0020 719 LYS 72 HZ3 -0.0029 0.0022 -0.0003 720 GLN 73 N 0.0065 -0.0003 -0.0041 721 GLN 73 CA 0.0063 -0.0004 -0.0038 722 GLN 73 C 0.0067 -0.0007 -0.0014 723 GLN 73 O 0.0077 -0.0004 -0.0008 724 GLN 73 CB 0.0043 -0.0012 -0.0047 725 GLN 73 CG 0.0039 -0.0009 -0.0072 726 GLN 73 CD 0.0018 -0.0018 -0.0080 727 GLN 73 OE1 0.0004 -0.0027 -0.0069 728 GLN 73 NE2 0.0016 -0.0015 -0.0101 729 GLN 73 H 0.0052 -0.0008 -0.0047 730 GLN 73 HA 0.0075 0.0003 -0.0047 731 GLN 73 HB2 0.0031 -0.0020 -0.0039 732 GLN 73 HB3 0.0042 -0.0013 -0.0044 733 GLN 73 HG2 0.0049 -0.0002 -0.0080 734 GLN 73 HG3 0.0040 -0.0008 -0.0075 735 GLN 73 HE21 0.0028 -0.0007 -0.0109 736 GLN 73 HE22 0.0003 -0.0020 -0.0107 737 LEU 74 N 0.0013 -0.0029 -0.0014 738 LEU 74 CA 0.0001 -0.0014 -0.0000 739 LEU 74 C 0.0008 0.0007 0.0005 740 LEU 74 O -0.0002 0.0020 0.0017 741 LEU 74 CB 0.0002 -0.0011 0.0001 742 LEU 74 CG -0.0011 0.0003 0.0015 743 LEU 74 CD1 -0.0032 -0.0006 0.0024 744 LEU 74 CD2 -0.0008 0.0005 0.0014 745 LEU 74 H 0.0023 -0.0032 -0.0022 746 LEU 74 HA -0.0013 -0.0021 0.0006 747 LEU 74 HB2 -0.0001 -0.0026 -0.0004 748 LEU 74 HB3 0.0017 -0.0003 -0.0005 749 LEU 74 HG -0.0007 0.0019 0.0019 750 LEU 74 HD11 -0.0041 0.0004 0.0034 751 LEU 74 HD12 -0.0037 -0.0021 0.0019 752 LEU 74 HD13 -0.0034 -0.0006 0.0025 753 LEU 74 HD21 -0.0012 -0.0010 0.0009 754 LEU 74 HD22 -0.0017 0.0015 0.0024 755 LEU 74 HD23 0.0007 0.0012 0.0008 756 SER 75 N 0.0021 -0.0001 -0.0005 757 SER 75 CA -0.0011 0.0004 -0.0019 758 SER 75 C -0.0005 0.0019 -0.0053 759 SER 75 O -0.0029 0.0027 -0.0072 760 SER 75 CB -0.0042 0.0003 -0.0019 761 SER 75 OG -0.0075 0.0007 -0.0030 762 SER 75 H 0.0035 -0.0008 0.0011 763 SER 75 HA -0.0017 -0.0003 -0.0003 764 SER 75 HB2 -0.0046 -0.0008 0.0005 765 SER 75 HB3 -0.0036 0.0010 -0.0034 766 SER 75 HG -0.0093 0.0000 -0.0015 767 VAL 76 N -0.0011 0.0001 -0.0021 768 VAL 76 CA -0.0015 -0.0005 -0.0020 769 VAL 76 C -0.0023 -0.0015 -0.0012 770 VAL 76 O -0.0025 -0.0026 -0.0016 771 VAL 76 CB -0.0015 0.0006 -0.0014 772 VAL 76 CG1 -0.0018 -0.0001 -0.0012 773 VAL 76 CG2 -0.0006 0.0016 -0.0021 774 VAL 76 H -0.0010 0.0010 -0.0018 775 VAL 76 HA -0.0011 -0.0009 -0.0028 776 VAL 76 HB -0.0018 0.0010 -0.0005 777 VAL 76 HG11 -0.0018 0.0007 -0.0008 778 VAL 76 HG12 -0.0015 -0.0005 -0.0020 779 VAL 76 HG13 -0.0024 -0.0008 -0.0006 780 VAL 76 HG21 -0.0006 0.0023 -0.0016 781 VAL 76 HG22 -0.0004 0.0020 -0.0022 782 VAL 76 HG23 -0.0002 0.0012 -0.0029 783 GLU 77 N 0.0002 -0.0014 -0.0032 784 GLU 77 CA -0.0005 -0.0024 -0.0023 785 GLU 77 C -0.0008 -0.0026 -0.0014 786 GLU 77 O -0.0006 -0.0019 -0.0004 787 GLU 77 CB -0.0006 -0.0022 -0.0015 788 GLU 77 CG -0.0001 -0.0009 -0.0007 789 GLU 77 CD -0.0002 -0.0008 0.0002 790 GLU 77 OE1 -0.0000 -0.0007 -0.0004 791 GLU 77 OE2 -0.0005 -0.0008 0.0014 792 GLU 77 H 0.0004 -0.0007 -0.0028 793 GLU 77 HA -0.0008 -0.0033 -0.0030 794 GLU 77 HB2 -0.0010 -0.0029 -0.0007 795 GLU 77 HB3 -0.0005 -0.0024 -0.0021 796 GLU 77 HG2 0.0004 -0.0002 -0.0014 797 GLU 77 HG3 -0.0002 -0.0008 -0.0000 798 PRO 78 N -0.0051 0.0024 -0.0024 799 PRO 78 CA -0.0060 0.0007 0.0002 800 PRO 78 C -0.0048 0.0014 -0.0014 801 PRO 78 O -0.0059 0.0039 -0.0037 802 PRO 78 CB -0.0104 0.0016 0.0015 803 PRO 78 CG -0.0116 0.0030 0.0004 804 PRO 78 CD -0.0087 0.0043 -0.0028 805 PRO 78 HA -0.0046 -0.0015 0.0021 806 PRO 78 HB2 -0.0117 0.0029 0.0005 807 PRO 78 HB3 -0.0112 -0.0003 0.0041 808 PRO 78 HG2 -0.0145 0.0046 0.0000 809 PRO 78 HG3 -0.0115 0.0015 0.0021 810 PRO 78 HD2 -0.0095 0.0064 -0.0048 811 PRO 78 HD3 -0.0083 0.0045 -0.0032 812 TYR 79 N -0.0064 0.0016 0.0014 813 TYR 79 CA -0.0073 0.0019 0.0004 814 TYR 79 C -0.0094 0.0002 0.0017 815 TYR 79 O -0.0087 -0.0008 0.0036 816 TYR 79 CB -0.0050 0.0029 0.0003 817 TYR 79 CG -0.0032 0.0047 -0.0014 818 TYR 79 CD1 -0.0010 0.0050 -0.0005 819 TYR 79 CD2 -0.0037 0.0061 -0.0038 820 TYR 79 CE1 0.0007 0.0066 -0.0020 821 TYR 79 CE2 -0.0021 0.0077 -0.0053 822 TYR 79 CZ 0.0001 0.0080 -0.0044 823 TYR 79 OH 0.0018 0.0096 -0.0059 824 TYR 79 H -0.0069 0.0020 0.0004 825 TYR 79 HA -0.0084 0.0026 -0.0014 826 TYR 79 HB2 -0.0038 0.0022 0.0021 827 TYR 79 HB3 -0.0058 0.0030 -0.0004 828 TYR 79 HD1 -0.0005 0.0039 0.0014 829 TYR 79 HD2 -0.0054 0.0058 -0.0045 830 TYR 79 HE1 0.0024 0.0069 -0.0012 831 TYR 79 HE2 -0.0025 0.0088 -0.0072 832 TYR 79 HH 0.0005 0.0101 -0.0073 833 SER 80 N 0.0012 -0.0007 0.0023 834 SER 80 CA 0.0015 -0.0013 0.0015 835 SER 80 C 0.0010 -0.0012 0.0011 836 SER 80 O 0.0002 -0.0007 0.0013 837 SER 80 CB 0.0025 -0.0017 0.0019 838 SER 80 OG 0.0029 -0.0024 0.0011 839 SER 80 H 0.0014 -0.0005 0.0029 840 SER 80 HA 0.0014 -0.0016 0.0010 841 SER 80 HB2 0.0029 -0.0018 0.0022 842 SER 80 HB3 0.0026 -0.0015 0.0024 843 SER 80 HG 0.0031 -0.0026 0.0008 844 GLN 81 N 0.0005 -0.0018 0.0059 845 GLN 81 CA -0.0007 -0.0017 0.0069 846 GLN 81 C -0.0016 -0.0003 0.0047 847 GLN 81 O -0.0022 0.0007 0.0029 848 GLN 81 CB -0.0030 -0.0016 0.0090 849 GLN 81 CG -0.0040 -0.0018 0.0103 850 GLN 81 CD -0.0064 -0.0016 0.0122 851 GLN 81 OE1 -0.0080 -0.0009 0.0119 852 GLN 81 NE2 -0.0067 -0.0023 0.0141 853 GLN 81 H -0.0004 -0.0016 0.0063 854 GLN 81 HA 0.0007 -0.0026 0.0076 855 GLN 81 HB2 -0.0024 -0.0025 0.0104 856 GLN 81 HB3 -0.0045 -0.0006 0.0081 857 GLN 81 HG2 -0.0045 -0.0010 0.0088 858 GLN 81 HG3 -0.0025 -0.0028 0.0112 859 GLN 81 HE21 -0.0053 -0.0029 0.0142 860 GLN 81 HE22 -0.0082 -0.0023 0.0154 861 GLU 82 N 0.0027 -0.0004 -0.0003 862 GLU 82 CA 0.0026 -0.0003 -0.0010 863 GLU 82 C 0.0030 0.0006 -0.0009 864 GLU 82 O 0.0029 0.0010 -0.0014 865 GLU 82 CB 0.0022 -0.0012 -0.0011 866 GLU 82 CG 0.0020 -0.0011 -0.0019 867 GLU 82 CD 0.0016 -0.0020 -0.0020 868 GLU 82 OE1 0.0017 -0.0023 -0.0013 869 GLU 82 OE2 0.0012 -0.0025 -0.0027 870 GLU 82 H 0.0027 -0.0002 -0.0005 871 GLU 82 HA 0.0024 -0.0001 -0.0017 872 GLU 82 HB2 0.0019 -0.0017 -0.0013 873 GLU 82 HB3 0.0023 -0.0014 -0.0004 874 GLU 82 HG2 0.0022 -0.0005 -0.0017 875 GLU 82 HG3 0.0019 -0.0009 -0.0026 876 GLU 83 N 0.0010 0.0002 -0.0028 877 GLU 83 CA 0.0020 0.0002 -0.0034 878 GLU 83 C 0.0038 0.0015 -0.0024 879 GLU 83 O 0.0055 0.0017 -0.0034 880 GLU 83 CB 0.0004 -0.0002 -0.0030 881 GLU 83 CG 0.0012 -0.0002 -0.0036 882 GLU 83 CD -0.0004 -0.0007 -0.0034 883 GLU 83 OE1 -0.0012 -0.0002 -0.0017 884 GLU 83 OE2 -0.0011 -0.0018 -0.0049 885 GLU 83 H 0.0006 0.0007 -0.0014 886 GLU 83 HA 0.0025 -0.0004 -0.0049 887 GLU 83 HB2 -0.0009 -0.0011 -0.0038 888 GLU 83 HB3 -0.0002 0.0004 -0.0014 889 GLU 83 HG2 0.0023 0.0007 -0.0027 890 GLU 83 HG3 0.0020 -0.0007 -0.0051 891 ALA 84 N -0.0007 0.0018 -0.0011 892 ALA 84 CA 0.0017 0.0036 0.0005 893 ALA 84 C 0.0023 0.0043 0.0014 894 ALA 84 O 0.0037 0.0058 0.0033 895 ALA 84 CB 0.0011 0.0044 0.0031 896 ALA 84 H -0.0026 0.0013 0.0000 897 ALA 84 HA 0.0035 0.0039 -0.0010 898 ALA 84 HB1 0.0029 0.0057 0.0043 899 ALA 84 HB2 -0.0008 0.0040 0.0045 900 ALA 84 HB3 0.0009 0.0039 0.0024 901 GLU 85 N -0.0011 0.0018 -0.0019 902 GLU 85 CA 0.0012 0.0035 -0.0009 903 GLU 85 C 0.0017 0.0011 -0.0025 904 GLU 85 O -0.0009 0.0007 -0.0027 905 GLU 85 CB -0.0010 0.0065 0.0013 906 GLU 85 CG 0.0014 0.0088 0.0028 907 GLU 85 CD 0.0023 0.0078 0.0021 908 GLU 85 OE1 -0.0001 0.0084 0.0026 909 GLU 85 OE2 0.0054 0.0064 0.0010 910 GLU 85 H -0.0020 -0.0003 -0.0033 911 GLU 85 HA 0.0040 0.0041 -0.0005 912 GLU 85 HB2 -0.0020 0.0077 0.0022 913 GLU 85 HB3 -0.0034 0.0057 0.0009 914 GLU 85 HG2 0.0041 0.0087 0.0026 915 GLU 85 HG3 0.0002 0.0111 0.0045 916 ARG 86 N 0.0016 -0.0014 -0.0107 917 ARG 86 CA 0.0017 0.0024 -0.0066 918 ARG 86 C -0.0003 0.0020 -0.0013 919 ARG 86 O -0.0024 -0.0022 -0.0000 920 ARG 86 CB 0.0017 0.0026 -0.0063 921 ARG 86 CG -0.0003 -0.0026 -0.0067 922 ARG 86 CD -0.0030 -0.0057 -0.0021 923 ARG 86 NE -0.0047 -0.0107 -0.0029 924 ARG 86 CZ -0.0072 -0.0147 -0.0002 925 ARG 86 NH1 -0.0084 -0.0141 0.0038 926 ARG 86 NH2 -0.0086 -0.0192 -0.0015 927 ARG 86 H -0.0000 -0.0050 -0.0103 928 ARG 86 HA 0.0035 0.0060 -0.0077 929 ARG 86 HB2 0.0013 0.0048 -0.0027 930 ARG 86 HB3 0.0036 0.0047 -0.0095 931 ARG 86 HG2 0.0000 -0.0019 -0.0068 932 ARG 86 HG3 0.0001 -0.0048 -0.0103 933 ARG 86 HD2 -0.0033 -0.0061 -0.0017 934 ARG 86 HD3 -0.0034 -0.0036 0.0014 935 ARG 86 HE -0.0040 -0.0112 -0.0058 936 ARG 86 HH11 -0.0075 -0.0109 0.0050 937 ARG 86 HH12 -0.0102 -0.0171 0.0059 938 ARG 86 HH21 -0.0078 -0.0197 -0.0045 939 ARG 86 HH22 -0.0104 -0.0222 0.0003 940 ALA 87 N -0.0021 0.0031 -0.0076 941 ALA 87 CA 0.0060 0.0031 -0.0076 942 ALA 87 C 0.0117 -0.0059 -0.0218 943 ALA 87 O 0.0115 -0.0090 -0.0267 944 ALA 87 CB -0.0057 0.0059 -0.0031 945 ALA 87 H -0.0129 0.0007 -0.0114 946 ALA 87 HA 0.0159 0.0075 -0.0007 947 ALA 87 HB1 -0.0158 0.0016 -0.0098 948 ALA 87 HB2 -0.0097 0.0123 0.0070 949 ALA 87 HB3 0.0001 0.0058 -0.0033 950 ALA 88 N -0.0194 0.0029 0.0037 951 ALA 88 CA -0.0220 0.0052 0.0120 952 ALA 88 C -0.0303 -0.0024 0.0137 953 ALA 88 O -0.0315 -0.0058 0.0102 954 ALA 88 CB -0.0162 0.0103 0.0106 955 ALA 88 H -0.0202 -0.0015 -0.0022 956 ALA 88 HA -0.0221 0.0089 0.0183 957 ALA 88 HB1 -0.0160 0.0067 0.0043 958 ALA 88 HB2 -0.0103 0.0157 0.0093 959 ALA 88 HB3 -0.0183 0.0121 0.0171 960 GLY 89 N 0.1070 -0.0347 0.0060 961 GLY 89 CA 0.0178 0.0015 -0.0011 962 GLY 89 C -0.1152 -0.0018 -0.0362 963 GLY 89 O -0.1513 0.0580 -0.0198 964 GLY 89 H 0.0822 -0.0795 -0.0194 965 GLY 89 HA2 0.0318 0.0917 0.0410 966 GLY 89 HA3 0.0324 -0.0581 -0.0229 967 MET 90 N 0.0120 0.0006 -0.0027 968 MET 90 CA 0.0097 0.0001 -0.0021 969 MET 90 C 0.0087 0.0017 -0.0020 970 MET 90 O 0.0080 0.0036 -0.0020 971 MET 90 CB 0.0083 0.0001 -0.0017 972 MET 90 CG 0.0060 -0.0008 -0.0010 973 MET 90 SD 0.0042 0.0007 -0.0007 974 MET 90 CE 0.0017 -0.0007 0.0001 975 MET 90 H 0.0130 -0.0006 -0.0029 976 MET 90 HA 0.0096 -0.0015 -0.0019 977 MET 90 HB2 0.0092 -0.0009 -0.0019 978 MET 90 HB3 0.0082 0.0018 -0.0019 979 MET 90 HG2 0.0061 -0.0025 -0.0009 980 MET 90 HG3 0.0053 -0.0008 -0.0009 981 MET 90 HE1 0.0019 -0.0024 0.0002 982 MET 90 HE2 0.0004 0.0001 0.0003 983 MET 90 HE3 0.0013 -0.0006 0.0002 984 GLY 91 N 0.0055 -0.0054 0.0048 985 GLY 91 CA 0.0059 -0.0056 0.0045 986 GLY 91 C 0.0078 -0.0007 -0.0010 987 GLY 91 O 0.0052 0.0044 -0.0009 988 GLY 91 H 0.0035 -0.0012 0.0046 989 GLY 91 HA2 0.0083 -0.0106 0.0046 990 GLY 91 HA3 0.0022 -0.0043 0.0081 991 SER 92 N 0.0000 0.0021 -0.0001 992 SER 92 CA -0.0009 0.0021 -0.0009 993 SER 92 C -0.0017 0.0025 -0.0014 994 SER 92 O -0.0017 0.0021 -0.0016 995 SER 92 CB -0.0009 0.0008 -0.0015 996 SER 92 OG -0.0001 0.0004 -0.0010 997 SER 92 H 0.0003 0.0016 -0.0000 998 SER 92 HA -0.0011 0.0026 -0.0008 999 SER 92 HB2 -0.0007 0.0002 -0.0016 1000 SER 92 HB3 -0.0016 0.0007 -0.0021 1001 SER 92 HG 0.0003 0.0009 -0.0004 1002 TYR 93 N -0.0002 -0.0003 0.0000 1003 TYR 93 CA -0.0001 -0.0003 0.0000 1004 TYR 93 C -0.0001 -0.0003 0.0001 1005 TYR 93 O -0.0000 -0.0003 0.0001 1006 TYR 93 CB -0.0001 -0.0003 -0.0001 1007 TYR 93 CG -0.0001 -0.0004 -0.0000 1008 TYR 93 CD1 -0.0001 -0.0003 -0.0001 1009 TYR 93 CD2 -0.0000 -0.0004 0.0000 1010 TYR 93 CE1 -0.0001 -0.0003 -0.0001 1011 TYR 93 CE2 0.0000 -0.0004 0.0000 1012 TYR 93 CZ -0.0000 -0.0004 -0.0000 1013 TYR 93 OH -0.0000 -0.0004 -0.0000 1014 TYR 93 H -0.0001 -0.0003 -0.0000 1015 TYR 93 HA -0.0002 -0.0002 0.0000 1016 TYR 93 HB2 -0.0001 -0.0003 -0.0001 1017 TYR 93 HB3 -0.0001 -0.0004 -0.0001 1018 TYR 93 HD1 -0.0002 -0.0003 -0.0001 1019 TYR 93 HD2 0.0000 -0.0004 0.0000 1020 TYR 93 HE1 -0.0001 -0.0003 -0.0001 1021 TYR 93 HE2 0.0001 -0.0005 0.0000 1022 TYR 93 HH -0.0000 -0.0004 0.0000 1023 VAL 94 N -0.0001 -0.0000 -0.0000 1024 VAL 94 CA -0.0001 -0.0000 -0.0000 1025 VAL 94 C -0.0001 0.0000 -0.0000 1026 VAL 94 O -0.0001 0.0000 -0.0000 1027 VAL 94 CB -0.0002 -0.0000 -0.0000 1028 VAL 94 CG1 -0.0002 0.0000 -0.0001 1029 VAL 94 CG2 -0.0002 -0.0000 -0.0001 1030 VAL 94 H -0.0001 -0.0000 -0.0000 1031 VAL 94 HA -0.0001 -0.0000 -0.0000 1032 VAL 94 HB -0.0002 -0.0000 -0.0000 1033 VAL 94 HG11 -0.0002 0.0000 -0.0001 1034 VAL 94 HG12 -0.0002 0.0000 -0.0001 1035 VAL 94 HG13 -0.0002 0.0000 -0.0001 1036 VAL 94 HG21 -0.0002 0.0000 -0.0001 1037 VAL 94 HG22 -0.0002 -0.0000 -0.0001 1038 VAL 94 HG23 -0.0002 -0.0000 -0.0001