1 ASP 28 N -0.0856 0.1325 0.0662 2 ASP 28 CA -0.0380 0.0819 -0.0694 3 ASP 28 C -0.1086 0.1788 -0.1680 4 ASP 28 O -0.1692 0.2516 -0.1123 5 ASP 28 CB 0.0341 -0.0127 -0.0285 6 ASP 28 CG 0.0871 -0.0702 -0.1626 7 ASP 28 OD1 0.1406 -0.1325 -0.2412 8 ASP 28 OD2 0.0799 -0.0593 -0.1870 9 ASP 28 H -0.0387 0.0677 0.1373 10 ASP 28 HA -0.0033 0.0421 -0.1278 11 ASP 28 HB2 0.0839 -0.0810 0.0413 12 ASP 28 HB3 -0.0012 0.0277 0.0331 13 PRO 29 N 0.0286 -0.0372 0.0539 14 PRO 29 CA 0.0238 -0.0326 0.0482 15 PRO 29 C 0.0350 -0.0435 0.0617 16 PRO 29 O 0.0560 -0.0498 0.0653 17 PRO 29 CB 0.0355 -0.0204 0.0263 18 PRO 29 CG 0.0393 -0.0162 0.0189 19 PRO 29 CD 0.0424 -0.0288 0.0372 20 PRO 29 HA 0.0048 -0.0293 0.0486 21 PRO 29 HB2 0.0519 -0.0236 0.0266 22 PRO 29 HB3 0.0237 -0.0123 0.0173 23 PRO 29 HG2 0.0552 -0.0122 0.0083 24 PRO 29 HG3 0.0240 -0.0086 0.0117 25 PRO 29 HD2 0.0611 -0.0339 0.0397 26 PRO 29 HD3 0.0350 -0.0261 0.0352 27 ASN 30 N 0.0447 -0.0103 -0.0025 28 ASN 30 CA 0.0408 -0.0017 -0.0261 29 ASN 30 C 0.0073 0.0328 -0.0860 30 ASN 30 O -0.0455 0.0604 -0.0808 31 ASN 30 CB 0.0150 -0.0026 0.0295 32 ASN 30 CG 0.0075 0.0067 0.0101 33 ASN 30 OD1 0.0477 -0.0158 0.0120 34 ASN 30 ND2 -0.0437 0.0392 -0.0066 35 ASN 30 H 0.0835 -0.0334 0.0045 36 ASN 30 HA 0.0856 -0.0220 -0.0417 37 ASN 30 HB2 0.0443 -0.0288 0.0668 38 ASN 30 HB3 -0.0266 0.0152 0.0475 39 ASN 30 HD21 -0.0749 0.0561 -0.0059 40 ASN 30 HD22 -0.0491 0.0457 -0.0197 41 ALA 31 N 0.0000 0.0069 -0.0042 42 ALA 31 CA -0.0004 -0.0026 0.0006 43 ALA 31 C -0.0100 -0.0076 0.0047 44 ALA 31 O -0.0189 -0.0061 0.0054 45 ALA 31 CB -0.0006 -0.0019 0.0004 46 ALA 31 H -0.0063 0.0097 -0.0046 47 ALA 31 HA 0.0068 -0.0068 0.0016 48 ALA 31 HB1 -0.0005 -0.0091 0.0040 49 ALA 31 HB2 -0.0077 0.0022 -0.0006 50 ALA 31 HB3 0.0063 0.0016 -0.0025 51 GLU 32 N -0.0184 -0.0371 0.0397 52 GLU 32 CA -0.0056 -0.0208 0.0398 53 GLU 32 C -0.0139 -0.0276 0.0312 54 GLU 32 O -0.0059 -0.0189 0.0344 55 GLU 32 CB 0.0041 -0.0011 0.0228 56 GLU 32 CG -0.0062 -0.0026 -0.0045 57 GLU 32 CD 0.0044 0.0178 -0.0204 58 GLU 32 OE1 0.0110 0.0302 -0.0300 59 GLU 32 OE2 0.0065 0.0218 -0.0235 60 GLU 32 H -0.0220 -0.0355 0.0252 61 GLU 32 HA 0.0025 -0.0185 0.0587 62 GLU 32 HB2 0.0136 0.0107 0.0236 63 GLU 32 HB3 0.0097 0.0031 0.0297 64 GLU 32 HG2 -0.0156 -0.0139 -0.0059 65 GLU 32 HG3 -0.0123 -0.0074 -0.0114 66 PHE 33 N -0.0170 -0.0131 0.0104 67 PHE 33 CA -0.0174 -0.0100 0.0095 68 PHE 33 C -0.0174 -0.0078 0.0082 69 PHE 33 O -0.0173 -0.0087 0.0084 70 PHE 33 CB -0.0189 -0.0087 0.0124 71 PHE 33 CG -0.0199 -0.0087 0.0151 72 PHE 33 CD1 -0.0206 -0.0062 0.0153 73 PHE 33 CD2 -0.0202 -0.0112 0.0173 74 PHE 33 CE1 -0.0215 -0.0063 0.0177 75 PHE 33 CE2 -0.0212 -0.0113 0.0197 76 PHE 33 CZ -0.0218 -0.0088 0.0199 77 PHE 33 H -0.0177 -0.0135 0.0122 78 PHE 33 HA -0.0167 -0.0102 0.0079 79 PHE 33 HB2 -0.0192 -0.0062 0.0118 80 PHE 33 HB3 -0.0188 -0.0100 0.0131 81 PHE 33 HD1 -0.0203 -0.0043 0.0136 82 PHE 33 HD2 -0.0197 -0.0131 0.0172 83 PHE 33 HE1 -0.0220 -0.0044 0.0179 84 PHE 33 HE2 -0.0214 -0.0132 0.0215 85 PHE 33 HZ -0.0226 -0.0089 0.0218 86 ASP 34 N -0.0121 0.0275 0.0043 87 ASP 34 CA -0.0135 0.0225 0.0072 88 ASP 34 C -0.0138 0.0177 0.0028 89 ASP 34 O -0.0134 0.0169 -0.0010 90 ASP 34 CB -0.0145 0.0208 0.0117 91 ASP 34 CG -0.0159 0.0161 0.0153 92 ASP 34 OD1 -0.0165 0.0112 0.0133 93 ASP 34 OD2 -0.0164 0.0172 0.0203 94 ASP 34 H -0.0119 0.0275 0.0031 95 ASP 34 HA -0.0136 0.0236 0.0092 96 ASP 34 HB2 -0.0142 0.0244 0.0145 97 ASP 34 HB3 -0.0144 0.0194 0.0096 98 PRO 35 N -0.0061 0.0128 0.0061 99 PRO 35 CA -0.0164 0.0075 0.0008 100 PRO 35 C 0.0007 0.0136 0.0086 101 PRO 35 O -0.0060 0.0091 0.0048 102 PRO 35 CB -0.0187 -0.0210 -0.0105 103 PRO 35 CG 0.0040 -0.0309 -0.0069 104 PRO 35 CD 0.0075 -0.0105 0.0018 105 PRO 35 HA -0.0354 0.0175 -0.0015 106 PRO 35 HB2 -0.0176 -0.0289 -0.0131 107 PRO 35 HB3 -0.0367 -0.0244 -0.0175 108 PRO 35 HG2 0.0211 -0.0343 -0.0027 109 PRO 35 HG3 0.0001 -0.0483 -0.0147 110 PRO 35 HD2 0.0278 -0.0084 0.0091 111 PRO 35 HD3 -0.0015 -0.0147 -0.0027 112 ASP 36 N -0.0110 0.0119 -0.0029 113 ASP 36 CA 0.0033 0.0147 0.0053 114 ASP 36 C 0.0002 0.0287 0.0179 115 ASP 36 O 0.0059 0.0329 0.0242 116 ASP 36 CB 0.0191 0.0100 0.0067 117 ASP 36 CG 0.0343 0.0131 0.0155 118 ASP 36 OD1 0.0408 0.0070 0.0120 119 ASP 36 OD2 0.0400 0.0217 0.0263 120 ASP 36 H -0.0126 0.0136 -0.0019 121 ASP 36 HA 0.0049 0.0099 0.0011 122 ASP 36 HB2 0.0213 -0.0002 -0.0025 123 ASP 36 HB3 0.0172 0.0142 0.0101 124 LEU 37 N -0.0139 -0.0060 0.0182 125 LEU 37 CA -0.0125 -0.0079 0.0134 126 LEU 37 C -0.0042 -0.0058 -0.0048 127 LEU 37 O 0.0022 0.0061 -0.0109 128 LEU 37 CB -0.0132 0.0043 0.0244 129 LEU 37 CG -0.0220 0.0003 0.0424 130 LEU 37 CD1 -0.0276 -0.0172 0.0423 131 LEU 37 CD2 -0.0259 0.0018 0.0530 132 LEU 37 H -0.0119 0.0053 0.0221 133 LEU 37 HA -0.0174 -0.0208 0.0152 134 LEU 37 HB2 -0.0094 0.0168 0.0251 135 LEU 37 HB3 -0.0103 0.0049 0.0181 136 LEU 37 HG -0.0213 0.0094 0.0478 137 LEU 37 HD11 -0.0336 -0.0196 0.0549 138 LEU 37 HD12 -0.0283 -0.0269 0.0366 139 LEU 37 HD13 -0.0249 -0.0177 0.0355 140 LEU 37 HD21 -0.0321 -0.0013 0.0652 141 LEU 37 HD22 -0.0221 0.0146 0.0537 142 LEU 37 HD23 -0.0265 -0.0071 0.0474 143 PRO 38 N -0.0060 0.0098 -0.0043 144 PRO 38 CA -0.0030 0.0097 -0.0096 145 PRO 38 C -0.0019 0.0150 -0.0102 146 PRO 38 O -0.0037 0.0164 -0.0068 147 PRO 38 CB -0.0034 0.0037 -0.0101 148 PRO 38 CG -0.0063 -0.0001 -0.0061 149 PRO 38 CD -0.0083 0.0043 -0.0016 150 PRO 38 HA -0.0013 0.0097 -0.0126 151 PRO 38 HB2 -0.0038 0.0047 -0.0094 152 PRO 38 HB3 -0.0015 0.0016 -0.0141 153 PRO 38 HG2 -0.0075 -0.0031 -0.0047 154 PRO 38 HG3 -0.0057 -0.0026 -0.0077 155 PRO 38 HD2 -0.0098 0.0051 0.0012 156 PRO 38 HD3 -0.0096 0.0025 0.0003 157 GLY 39 N -0.0045 0.0151 -0.0185 158 GLY 39 CA -0.0054 0.0140 -0.0183 159 GLY 39 C -0.0086 0.0166 -0.0197 160 GLY 39 O -0.0108 0.0155 -0.0197 161 GLY 39 H -0.0019 0.0166 -0.0187 162 GLY 39 HA2 -0.0026 0.0142 -0.0179 163 GLY 39 HA3 -0.0067 0.0110 -0.0173 164 GLY 40 N -0.0117 0.0287 -0.0079 165 GLY 40 CA -0.0104 0.0291 -0.0053 166 GLY 40 C -0.0095 0.0295 -0.0045 167 GLY 40 O -0.0082 0.0300 -0.0024 168 GLY 40 H -0.0133 0.0277 -0.0080 169 GLY 40 HA2 -0.0115 0.0281 -0.0038 170 GLY 40 HA3 -0.0090 0.0300 -0.0053 171 GLY 41 N -0.0037 0.0078 -0.0030 172 GLY 41 CA -0.0044 0.0071 -0.0046 173 GLY 41 C -0.0005 0.0065 -0.0059 174 GLY 41 O -0.0004 0.0061 -0.0070 175 GLY 41 H -0.0046 0.0072 -0.0043 176 GLY 41 HA2 -0.0064 0.0061 -0.0069 177 GLY 41 HA3 -0.0057 0.0080 -0.0025 178 LEU 42 N -0.0082 0.0034 -0.0237 179 LEU 42 CA -0.0068 -0.0085 -0.0231 180 LEU 42 C -0.0075 -0.0060 -0.0221 181 LEU 42 O -0.0059 -0.0149 -0.0232 182 LEU 42 CB -0.0097 -0.0166 -0.0117 183 LEU 42 CG -0.0094 -0.0203 -0.0112 184 LEU 42 CD1 -0.0125 -0.0281 0.0007 185 LEU 42 CD2 -0.0045 -0.0278 -0.0224 186 LEU 42 H -0.0115 0.0070 -0.0157 187 LEU 42 HA -0.0033 -0.0139 -0.0312 188 LEU 42 HB2 -0.0133 -0.0112 -0.0036 189 LEU 42 HB3 -0.0086 -0.0254 -0.0115 190 LEU 42 HG -0.0106 -0.0114 -0.0110 191 LEU 42 HD11 -0.0123 -0.0307 0.0009 192 LEU 42 HD12 -0.0115 -0.0369 0.0011 193 LEU 42 HD13 -0.0161 -0.0224 0.0086 194 LEU 42 HD21 -0.0032 -0.0365 -0.0228 195 LEU 42 HD22 -0.0044 -0.0303 -0.0216 196 LEU 42 HD23 -0.0024 -0.0217 -0.0307 197 HIS 43 N -0.0093 -0.0011 -0.0277 198 HIS 43 CA -0.0097 -0.0009 -0.0243 199 HIS 43 C -0.0075 0.0004 -0.0238 200 HIS 43 O -0.0050 0.0020 -0.0234 201 HIS 43 CB -0.0092 -0.0004 -0.0218 202 HIS 43 CG -0.0110 -0.0015 -0.0222 203 HIS 43 ND1 -0.0137 -0.0031 -0.0209 204 HIS 43 CD2 -0.0104 -0.0013 -0.0238 205 HIS 43 CE1 -0.0147 -0.0038 -0.0217 206 HIS 43 NE2 -0.0128 -0.0027 -0.0235 207 HIS 43 H -0.0075 0.0000 -0.0286 208 HIS 43 HA -0.0118 -0.0022 -0.0238 209 HIS 43 HB2 -0.0070 0.0009 -0.0219 210 HIS 43 HB3 -0.0097 -0.0005 -0.0193 211 HIS 43 HD1 -0.0148 -0.0036 -0.0197 212 HIS 43 HD2 -0.0084 -0.0002 -0.0252 213 HIS 43 HE1 -0.0168 -0.0050 -0.0209 214 HIS 43 HE2 -0.0131 -0.0031 -0.0247 215 ARG 44 N -0.0036 -0.0009 -0.0157 216 ARG 44 CA -0.0015 -0.0013 -0.0134 217 ARG 44 C -0.0002 0.0046 -0.0140 218 ARG 44 O 0.0008 0.0091 -0.0145 219 ARG 44 CB 0.0027 -0.0031 -0.0085 220 ARG 44 CG 0.0025 -0.0081 -0.0071 221 ARG 44 CD 0.0070 -0.0089 -0.0022 222 ARG 44 NE 0.0071 -0.0135 -0.0006 223 ARG 44 CZ 0.0106 -0.0155 0.0037 224 ARG 44 NH1 0.0143 -0.0131 0.0067 225 ARG 44 NH2 0.0105 -0.0197 0.0049 226 ARG 44 H -0.0023 0.0019 -0.0153 227 ARG 44 HA -0.0034 -0.0044 -0.0143 228 ARG 44 HB2 0.0049 0.0007 -0.0075 229 ARG 44 HB3 0.0038 -0.0042 -0.0070 230 ARG 44 HG2 0.0005 -0.0120 -0.0078 231 ARG 44 HG3 0.0011 -0.0070 -0.0089 232 ARG 44 HD2 0.0089 -0.0049 -0.0015 233 ARG 44 HD3 0.0082 -0.0101 -0.0006 234 ARG 44 HE 0.0044 -0.0152 -0.0028 235 ARG 44 HH11 0.0145 -0.0099 0.0059 236 ARG 44 HH12 0.0170 -0.0145 0.0099 237 ARG 44 HH21 0.0078 -0.0216 0.0028 238 ARG 44 HH22 0.0131 -0.0213 0.0081 239 CYS 45 N -0.0045 0.0006 -0.0048 240 CYS 45 CA -0.0042 0.0045 0.0001 241 CYS 45 C 0.0005 0.0035 0.0017 242 CYS 45 O 0.0053 0.0013 0.0017 243 CYS 45 CB -0.0030 0.0065 0.0032 244 CYS 45 SG -0.0015 0.0112 0.0098 245 CYS 45 H -0.0020 -0.0016 -0.0059 246 CYS 45 HA -0.0080 0.0064 0.0002 247 CYS 45 HB2 -0.0068 0.0074 0.0022 248 CYS 45 HB3 0.0002 0.0043 0.0024 249 LEU 46 N 0.0090 0.0126 0.0084 250 LEU 46 CA 0.0241 0.0096 0.0040 251 LEU 46 C 0.0355 0.0221 0.0071 252 LEU 46 O 0.0483 0.0204 0.0037 253 LEU 46 CB 0.0238 0.0053 0.0021 254 LEU 46 CG 0.0136 -0.0078 -0.0016 255 LEU 46 CD1 0.0132 -0.0104 -0.0027 256 LEU 46 CD2 0.0184 -0.0207 -0.0083 257 LEU 46 H 0.0012 0.0132 0.0103 258 LEU 46 HA 0.0274 0.0009 -0.0006 259 LEU 46 HB2 0.0204 0.0140 0.0067 260 LEU 46 HB3 0.0351 0.0033 -0.0011 261 LEU 46 HG 0.0025 -0.0058 0.0016 262 LEU 46 HD11 0.0087 -0.0016 0.0022 263 LEU 46 HD12 0.0062 -0.0200 -0.0054 264 LEU 46 HD13 0.0245 -0.0115 -0.0055 265 LEU 46 HD21 0.0175 -0.0191 -0.0074 266 LEU 46 HD22 0.0299 -0.0224 -0.0114 267 LEU 46 HD23 0.0111 -0.0298 -0.0108 268 ALA 47 N 0.0147 0.0085 0.0017 269 ALA 47 CA 0.0187 0.0139 0.0036 270 ALA 47 C 0.0231 0.0188 0.0043 271 ALA 47 O 0.0275 0.0232 0.0044 272 ALA 47 CB 0.0155 0.0154 0.0099 273 ALA 47 H 0.0107 0.0067 0.0047 274 ALA 47 HA 0.0210 0.0134 -0.0000 275 ALA 47 HB1 0.0184 0.0193 0.0111 276 ALA 47 HB2 0.0132 0.0161 0.0137 277 ALA 47 HB3 0.0124 0.0120 0.0094 278 CYS 48 N 0.0235 0.0131 0.0053 279 CYS 48 CA 0.0219 0.0088 0.0045 280 CYS 48 C 0.0242 -0.0022 0.0044 281 CYS 48 O 0.0247 -0.0064 0.0043 282 CYS 48 CB 0.0120 0.0113 0.0015 283 CYS 48 SG 0.0103 0.0238 0.0018 284 CYS 48 H 0.0197 0.0112 0.0040 285 CYS 48 HA 0.0269 0.0122 0.0063 286 CYS 48 HB2 0.0059 0.0099 -0.0005 287 CYS 48 HB3 0.0111 0.0080 0.0010 288 ALA 49 N 0.0217 0.0022 0.0082 289 ALA 49 CA 0.0234 -0.0142 0.0139 290 ALA 49 C 0.0096 -0.0255 0.0077 291 ALA 49 O 0.0090 -0.0402 0.0114 292 ALA 49 CB 0.0344 -0.0205 0.0231 293 ALA 49 H 0.0243 0.0109 0.0075 294 ALA 49 HA 0.0268 -0.0132 0.0159 295 ALA 49 HB1 0.0310 -0.0214 0.0211 296 ALA 49 HB2 0.0440 -0.0124 0.0273 297 ALA 49 HB3 0.0359 -0.0322 0.0274 298 ARG 50 N 0.0081 -0.0131 0.0063 299 ARG 50 CA -0.0015 -0.0204 -0.0003 300 ARG 50 C -0.0090 -0.0215 -0.0054 301 ARG 50 O -0.0100 -0.0124 -0.0060 302 ARG 50 CB -0.0074 -0.0140 -0.0043 303 ARG 50 CG -0.0008 -0.0134 0.0002 304 ARG 50 CD -0.0073 -0.0070 -0.0041 305 ARG 50 NE -0.0010 -0.0060 0.0002 306 ARG 50 CZ -0.0044 0.0001 -0.0021 307 ARG 50 NH1 -0.0143 0.0053 -0.0087 308 ARG 50 NH2 0.0020 0.0008 0.0023 309 ARG 50 H 0.0076 -0.0036 0.0061 310 ARG 50 HA 0.0011 -0.0301 0.0014 311 ARG 50 HB2 -0.0098 -0.0041 -0.0058 312 ARG 50 HB3 -0.0147 -0.0196 -0.0093 313 ARG 50 HG2 0.0014 -0.0233 0.0017 314 ARG 50 HG3 0.0065 -0.0078 0.0053 315 ARG 50 HD2 -0.0097 0.0028 -0.0056 316 ARG 50 HD3 -0.0145 -0.0128 -0.0090 317 ARG 50 HE 0.0063 -0.0103 0.0051 318 ARG 50 HH11 -0.0195 0.0049 -0.0122 319 ARG 50 HH12 -0.0173 0.0099 -0.0107 320 ARG 50 HH21 0.0095 -0.0032 0.0073 321 ARG 50 HH22 -0.0004 0.0055 0.0007 322 TYR 51 N -0.0067 -0.0066 -0.0127 323 TYR 51 CA -0.0068 -0.0050 -0.0148 324 TYR 51 C -0.0090 -0.0059 -0.0209 325 TYR 51 O -0.0111 -0.0104 -0.0225 326 TYR 51 CB -0.0071 -0.0085 -0.0115 327 TYR 51 CG -0.0050 -0.0082 -0.0052 328 TYR 51 CD1 -0.0053 -0.0119 -0.0018 329 TYR 51 CD2 -0.0028 -0.0044 -0.0026 330 TYR 51 CE1 -0.0034 -0.0116 0.0039 331 TYR 51 CE2 -0.0009 -0.0041 0.0031 332 TYR 51 CZ -0.0013 -0.0078 0.0063 333 TYR 51 OH 0.0006 -0.0076 0.0121 334 TYR 51 H -0.0080 -0.0106 -0.0122 335 TYR 51 HA -0.0050 -0.0007 -0.0142 336 TYR 51 HB2 -0.0089 -0.0128 -0.0123 337 TYR 51 HB3 -0.0070 -0.0072 -0.0130 338 TYR 51 HD1 -0.0070 -0.0149 -0.0037 339 TYR 51 HD2 -0.0025 -0.0015 -0.0052 340 TYR 51 HE1 -0.0037 -0.0145 0.0065 341 TYR 51 HE2 0.0008 -0.0011 0.0051 342 TYR 51 HH -0.0003 -0.0113 0.0138 343 PHE 52 N -0.0017 0.0042 -0.0198 344 PHE 52 CA 0.0006 0.0037 -0.0186 345 PHE 52 C 0.0005 0.0052 -0.0219 346 PHE 52 O -0.0027 0.0060 -0.0240 347 PHE 52 CB -0.0013 0.0020 -0.0149 348 PHE 52 CG -0.0013 0.0005 -0.0114 349 PHE 52 CD1 -0.0045 0.0003 -0.0111 350 PHE 52 CD2 0.0019 -0.0006 -0.0085 351 PHE 52 CE1 -0.0045 -0.0011 -0.0079 352 PHE 52 CE2 0.0018 -0.0020 -0.0054 353 PHE 52 CZ -0.0014 -0.0022 -0.0051 354 PHE 52 H -0.0048 0.0043 -0.0203 355 PHE 52 HA 0.0039 0.0036 -0.0180 356 PHE 52 HB2 -0.0046 0.0022 -0.0156 357 PHE 52 HB3 0.0005 0.0018 -0.0140 358 PHE 52 HD1 -0.0070 0.0011 -0.0133 359 PHE 52 HD2 0.0044 -0.0004 -0.0088 360 PHE 52 HE1 -0.0071 -0.0013 -0.0077 361 PHE 52 HE2 0.0043 -0.0028 -0.0031 362 PHE 52 HZ -0.0014 -0.0033 -0.0026 363 ILE 53 N 0.0120 0.0170 -0.0193 364 ILE 53 CA 0.0107 0.0138 -0.0128 365 ILE 53 C 0.0052 -0.0022 -0.0059 366 ILE 53 O 0.0030 -0.0090 -0.0063 367 ILE 53 CB 0.0141 0.0257 0.0002 368 ILE 53 CG1 0.0137 0.0260 0.0138 369 ILE 53 CG2 0.0195 0.0413 -0.0072 370 ILE 53 CD1 0.0167 0.0370 0.0273 371 ILE 53 H 0.0145 0.0253 -0.0143 372 ILE 53 HA 0.0114 0.0149 -0.0224 373 ILE 53 HB 0.0127 0.0221 0.0051 374 ILE 53 HG12 0.0149 0.0292 0.0089 375 ILE 53 HG13 0.0098 0.0148 0.0187 376 ILE 53 HG21 0.0209 0.0448 -0.0129 377 ILE 53 HG22 0.0197 0.0409 -0.0159 378 ILE 53 HG23 0.0218 0.0495 0.0021 379 ILE 53 HD11 0.0155 0.0337 0.0329 380 ILE 53 HD12 0.0163 0.0367 0.0361 381 ILE 53 HD13 0.0207 0.0484 0.0226 382 ASP 54 N 0.0050 0.0116 -0.0015 383 ASP 54 CA 0.0051 -0.0007 0.0046 384 ASP 54 C 0.0038 -0.0096 -0.0004 385 ASP 54 O 0.0034 -0.0051 -0.0050 386 ASP 54 CB 0.0074 0.0009 0.0189 387 ASP 54 CG 0.0078 -0.0113 0.0262 388 ASP 54 OD1 0.0079 -0.0149 0.0288 389 ASP 54 OD2 0.0079 -0.0175 0.0295 390 ASP 54 H 0.0047 0.0146 -0.0043 391 ASP 54 HA 0.0046 -0.0046 0.0025 392 ASP 54 HB2 0.0083 0.0077 0.0222 393 ASP 54 HB3 0.0080 0.0046 0.0210 394 SER 55 N 0.0011 -0.0072 0.0019 395 SER 55 CA 0.0014 -0.0104 -0.0004 396 SER 55 C 0.0008 -0.0075 0.0035 397 SER 55 O 0.0014 -0.0067 0.0007 398 SER 55 CB 0.0007 -0.0181 0.0004 399 SER 55 OG 0.0009 -0.0215 -0.0015 400 SER 55 H 0.0005 -0.0102 0.0039 401 SER 55 HA 0.0027 -0.0092 -0.0055 402 SER 55 HB2 0.0013 -0.0199 -0.0029 403 SER 55 HB3 -0.0006 -0.0195 0.0053 404 SER 55 HG -0.0000 -0.0218 0.0023 405 THR 56 N 0.0120 -0.0008 0.0081 406 THR 56 CA 0.0118 -0.0033 0.0014 407 THR 56 C 0.0060 -0.0074 0.0001 408 THR 56 O 0.0057 -0.0092 -0.0044 409 THR 56 CB 0.0128 -0.0035 -0.0010 410 THR 56 OG1 0.0179 0.0003 0.0009 411 THR 56 CG2 0.0135 -0.0057 -0.0081 412 THR 56 H 0.0123 0.0002 0.0103 413 THR 56 HA 0.0151 -0.0022 -0.0011 414 THR 56 HB 0.0091 -0.0051 0.0012 415 THR 56 HG1 0.0167 0.0011 0.0053 416 THR 56 HG21 0.0141 -0.0058 -0.0096 417 THR 56 HG22 0.0171 -0.0042 -0.0103 418 THR 56 HG23 0.0096 -0.0086 -0.0096 419 ASN 57 N 0.0075 -0.0091 0.0081 420 ASN 57 CA 0.0064 -0.0047 0.0053 421 ASN 57 C 0.0009 -0.0085 -0.0013 422 ASN 57 O -0.0000 -0.0094 -0.0023 423 ASN 57 CB 0.0073 0.0051 0.0037 424 ASN 57 CG 0.0130 0.0100 0.0103 425 ASN 57 OD1 0.0147 0.0130 0.0119 426 ASN 57 ND2 0.0159 0.0109 0.0141 427 ASN 57 H 0.0078 -0.0057 0.0076 428 ASN 57 HA 0.0091 -0.0058 0.0095 429 ASN 57 HB2 0.0060 0.0059 0.0017 430 ASN 57 HB3 0.0048 0.0078 -0.0005 431 ASN 57 HD21 0.0144 0.0086 0.0128 432 ASN 57 HD22 0.0196 0.0141 0.0184 433 LEU 58 N 0.0003 -0.0014 -0.0026 434 LEU 58 CA -0.0025 -0.0017 -0.0008 435 LEU 58 C -0.0049 -0.0029 0.0033 436 LEU 58 O -0.0048 -0.0041 0.0065 437 LEU 58 CB -0.0057 -0.0001 -0.0043 438 LEU 58 CG -0.0095 -0.0001 -0.0030 439 LEU 58 CD1 -0.0134 -0.0003 -0.0009 440 LEU 58 CD2 -0.0078 -0.0013 -0.0001 441 LEU 58 H -0.0005 -0.0004 -0.0053 442 LEU 58 HA -0.0003 -0.0023 -0.0001 443 LEU 58 HB2 -0.0037 0.0005 -0.0067 444 LEU 58 HB3 -0.0072 0.0006 -0.0056 445 LEU 58 HG -0.0108 0.0010 -0.0056 446 LEU 58 HD11 -0.0160 -0.0003 -0.0001 447 LEU 58 HD12 -0.0124 -0.0015 0.0018 448 LEU 58 HD13 -0.0147 0.0006 -0.0032 449 LEU 58 HD21 -0.0067 -0.0025 0.0028 450 LEU 58 HD22 -0.0105 -0.0013 0.0007 451 LEU 58 HD23 -0.0051 -0.0011 -0.0017 452 LYS 59 N -0.0034 -0.0005 0.0146 453 LYS 59 CA -0.0016 0.0013 0.0115 454 LYS 59 C -0.0012 -0.0088 0.0060 455 LYS 59 O -0.0021 -0.0108 0.0071 456 LYS 59 CB 0.0031 0.0113 0.0055 457 LYS 59 CG 0.0074 0.0106 -0.0045 458 LYS 59 CD 0.0118 0.0211 -0.0095 459 LYS 59 CE 0.0137 0.0238 -0.0125 460 LYS 59 NZ 0.0156 0.0159 -0.0203 461 LYS 59 H -0.0015 0.0035 0.0123 462 LYS 59 HA -0.0044 0.0028 0.0184 463 LYS 59 HB2 0.0041 0.0127 0.0040 464 LYS 59 HB3 0.0025 0.0181 0.0100 465 LYS 59 HG2 0.0064 0.0088 -0.0031 466 LYS 59 HG3 0.0083 0.0042 -0.0093 467 LYS 59 HD2 0.0108 0.0275 -0.0042 468 LYS 59 HD3 0.0146 0.0206 -0.0160 469 LYS 59 HE2 0.0109 0.0241 -0.0060 470 LYS 59 HE3 0.0166 0.0316 -0.0155 471 LYS 59 HZ1 0.0185 0.0158 -0.0268 472 LYS 59 HZ2 0.0168 0.0180 -0.0221 473 LYS 59 HZ3 0.0130 0.0081 -0.0181 474 THR 60 N 0.0036 0.0006 -0.0001 475 THR 60 CA 0.0051 -0.0111 -0.0047 476 THR 60 C 0.0062 -0.0214 0.0110 477 THR 60 O 0.0068 -0.0263 0.0131 478 THR 60 CB 0.0067 -0.0227 -0.0193 479 THR 60 OG1 0.0056 -0.0126 -0.0338 480 THR 60 CG2 0.0083 -0.0350 -0.0241 481 THR 60 H 0.0038 -0.0007 -0.0055 482 THR 60 HA 0.0042 -0.0037 -0.0086 483 THR 60 HB 0.0075 -0.0293 -0.0146 484 THR 60 HG1 0.0049 -0.0070 -0.0316 485 THR 60 HG21 0.0094 -0.0429 -0.0343 486 THR 60 HG22 0.0075 -0.0281 -0.0283 487 THR 60 HG23 0.0091 -0.0426 -0.0133 488 HIS 61 N -0.0026 -0.0065 0.0154 489 HIS 61 CA -0.0024 -0.0063 0.0152 490 HIS 61 C -0.0043 -0.0076 0.0164 491 HIS 61 O -0.0038 -0.0078 0.0172 492 HIS 61 CB -0.0025 -0.0051 0.0125 493 HIS 61 CG -0.0031 -0.0051 0.0119 494 HIS 61 ND1 -0.0016 -0.0048 0.0126 495 HIS 61 CD2 -0.0053 -0.0055 0.0109 496 HIS 61 CE1 -0.0028 -0.0050 0.0120 497 HIS 61 NE2 -0.0050 -0.0055 0.0110 498 HIS 61 H -0.0031 -0.0060 0.0139 499 HIS 61 HA -0.0006 -0.0060 0.0161 500 HIS 61 HB2 -0.0007 -0.0042 0.0120 501 HIS 61 HB3 -0.0038 -0.0052 0.0114 502 HIS 61 HD1 0.0001 -0.0045 0.0134 503 HIS 61 HD2 -0.0069 -0.0058 0.0101 504 HIS 61 HE1 -0.0024 -0.0050 0.0123 505 PHE 62 N -0.0057 -0.0007 0.0165 506 PHE 62 CA -0.0068 -0.0007 0.0179 507 PHE 62 C -0.0063 -0.0018 0.0179 508 PHE 62 O -0.0070 -0.0019 0.0189 509 PHE 62 CB -0.0079 0.0012 0.0181 510 PHE 62 CG -0.0085 0.0025 0.0180 511 PHE 62 CD1 -0.0091 0.0020 0.0191 512 PHE 62 CD2 -0.0084 0.0042 0.0169 513 PHE 62 CE1 -0.0096 0.0032 0.0190 514 PHE 62 CE2 -0.0089 0.0054 0.0168 515 PHE 62 CZ -0.0095 0.0050 0.0178 516 PHE 62 H -0.0055 0.0004 0.0155 517 PHE 62 HA -0.0073 -0.0015 0.0190 518 PHE 62 HB2 -0.0076 0.0019 0.0172 519 PHE 62 HB3 -0.0088 0.0009 0.0194 520 PHE 62 HD1 -0.0091 0.0006 0.0200 521 PHE 62 HD2 -0.0080 0.0046 0.0161 522 PHE 62 HE1 -0.0100 0.0028 0.0198 523 PHE 62 HE2 -0.0089 0.0068 0.0158 524 PHE 62 HZ -0.0099 0.0060 0.0176 525 ARG 63 N 0.0020 0.0017 0.0201 526 ARG 63 CA 0.0011 0.0033 0.0218 527 ARG 63 C 0.0047 0.0020 0.0270 528 ARG 63 O 0.0046 0.0029 0.0288 529 ARG 63 CB 0.0004 0.0019 0.0169 530 ARG 63 CG -0.0036 0.0039 0.0122 531 ARG 63 CD -0.0042 0.0024 0.0074 532 ARG 63 NE -0.0044 0.0033 0.0092 533 ARG 63 CZ -0.0056 0.0030 0.0057 534 ARG 63 NH1 -0.0069 0.0020 0.0002 535 ARG 63 NH2 -0.0055 0.0038 0.0079 536 ARG 63 H 0.0031 -0.0008 0.0168 537 ARG 63 HA -0.0019 0.0067 0.0230 538 ARG 63 HB2 0.0033 -0.0016 0.0152 539 ARG 63 HB3 0.0001 0.0028 0.0184 540 ARG 63 HG2 -0.0065 0.0073 0.0138 541 ARG 63 HG3 -0.0034 0.0030 0.0106 542 ARG 63 HD2 -0.0072 0.0040 0.0042 543 ARG 63 HD3 -0.0015 -0.0011 0.0056 544 ARG 63 HE -0.0035 0.0042 0.0133 545 ARG 63 HH11 -0.0071 0.0014 -0.0016 546 ARG 63 HH12 -0.0078 0.0017 -0.0025 547 ARG 63 HH21 -0.0045 0.0047 0.0121 548 ARG 63 HH22 -0.0063 0.0036 0.0055 549 SER 64 N -0.0067 0.0036 0.0119 550 SER 64 CA -0.0087 0.0060 0.0066 551 SER 64 C -0.0047 0.0036 0.0018 552 SER 64 O -0.0023 0.0017 0.0014 553 SER 64 CB -0.0114 0.0081 0.0068 554 SER 64 OG -0.0145 0.0097 0.0121 555 SER 64 H -0.0062 0.0028 0.0143 556 SER 64 HA -0.0109 0.0079 0.0059 557 SER 64 HB2 -0.0090 0.0063 0.0067 558 SER 64 HB3 -0.0134 0.0103 0.0032 559 SER 64 HG -0.0170 0.0117 0.0118 560 LYS 65 N -0.0061 -0.0080 -0.0316 561 LYS 65 CA -0.0113 0.0040 -0.0194 562 LYS 65 C -0.0035 0.0022 -0.0049 563 LYS 65 O -0.0076 0.0105 0.0024 564 LYS 65 CB -0.0166 0.0123 -0.0153 565 LYS 65 CG -0.0089 0.0054 -0.0112 566 LYS 65 CD 0.0013 0.0008 0.0037 567 LYS 65 CE 0.0085 -0.0059 0.0071 568 LYS 65 NZ 0.0189 -0.0111 0.0210 569 LYS 65 H -0.0051 -0.0108 -0.0349 570 LYS 65 HA -0.0182 0.0094 -0.0247 571 LYS 65 HB2 -0.0192 0.0202 -0.0053 572 LYS 65 HB3 -0.0241 0.0162 -0.0250 573 LYS 65 HG2 -0.0139 0.0120 -0.0096 574 LYS 65 HG3 -0.0060 -0.0028 -0.0208 575 LYS 65 HD2 0.0065 -0.0058 0.0025 576 LYS 65 HD3 -0.0017 0.0091 0.0134 577 LYS 65 HE2 0.0035 0.0010 0.0092 578 LYS 65 HE3 0.0109 -0.0137 -0.0030 579 LYS 65 HZ1 0.0170 -0.0039 0.0311 580 LYS 65 HZ2 0.0242 -0.0180 0.0194 581 LYS 65 HZ3 0.0235 -0.0154 0.0232 582 ASP 66 N -0.0107 0.0017 -0.0151 583 ASP 66 CA -0.0108 0.0011 -0.0130 584 ASP 66 C -0.0093 0.0007 -0.0078 585 ASP 66 O -0.0076 0.0013 -0.0057 586 ASP 66 CB -0.0149 -0.0016 -0.0138 587 ASP 66 CG -0.0151 -0.0020 -0.0125 588 ASP 66 OD1 -0.0148 -0.0010 -0.0155 589 ASP 66 OD2 -0.0157 -0.0035 -0.0086 590 ASP 66 H -0.0132 0.0003 -0.0161 591 ASP 66 HA -0.0089 0.0028 -0.0146 592 ASP 66 HB2 -0.0161 -0.0014 -0.0174 593 ASP 66 HB3 -0.0167 -0.0033 -0.0118 594 HIS 67 N -0.0025 0.0047 0.0008 595 HIS 67 CA -0.0019 0.0045 0.0029 596 HIS 67 C 0.0016 0.0020 0.0023 597 HIS 67 O 0.0020 0.0016 0.0010 598 HIS 67 CB -0.0023 0.0052 0.0075 599 HIS 67 CG -0.0021 0.0053 0.0101 600 HIS 67 ND1 -0.0033 0.0060 0.0086 601 HIS 67 CD2 -0.0019 0.0055 0.0141 602 HIS 67 CE1 -0.0039 0.0067 0.0117 603 HIS 67 NE2 -0.0032 0.0064 0.0151 604 HIS 67 H -0.0029 0.0051 0.0023 605 HIS 67 HA -0.0037 0.0057 0.0017 606 HIS 67 HB2 -0.0048 0.0070 0.0083 607 HIS 67 HB3 -0.0005 0.0040 0.0089 608 HIS 67 HD1 -0.0037 0.0060 0.0057 609 HIS 67 HD2 -0.0005 0.0046 0.0159 610 HIS 67 HE1 -0.0049 0.0073 0.0116 611 LYS 68 N -0.0030 0.0023 -0.0005 612 LYS 68 CA -0.0003 0.0014 -0.0004 613 LYS 68 C 0.0002 0.0008 -0.0032 614 LYS 68 O 0.0018 0.0002 -0.0034 615 LYS 68 CB 0.0014 0.0009 0.0004 616 LYS 68 CG 0.0007 0.0015 0.0032 617 LYS 68 CD 0.0025 0.0010 0.0038 618 LYS 68 CE 0.0022 0.0008 0.0016 619 LYS 68 NZ 0.0038 0.0003 0.0023 620 LYS 68 H -0.0034 0.0025 -0.0004 621 LYS 68 HA -0.0002 0.0015 0.0012 622 LYS 68 HB2 0.0013 0.0007 -0.0012 623 LYS 68 HB3 0.0034 0.0002 0.0007 624 LYS 68 HG2 0.0005 0.0018 0.0049 625 LYS 68 HG3 -0.0014 0.0022 0.0029 626 LYS 68 HD2 0.0045 0.0003 0.0040 627 LYS 68 HD3 0.0020 0.0014 0.0058 628 LYS 68 HE2 0.0002 0.0015 0.0014 629 LYS 68 HE3 0.0028 0.0003 -0.0004 630 LYS 68 HZ1 0.0058 -0.0004 0.0025 631 LYS 68 HZ2 0.0036 0.0002 0.0008 632 LYS 68 HZ3 0.0032 0.0008 0.0041 633 LYS 69 N -0.0102 -0.0006 -0.0070 634 LYS 69 CA -0.0085 0.0016 -0.0039 635 LYS 69 C -0.0046 0.0006 -0.0054 636 LYS 69 O -0.0047 0.0012 -0.0045 637 LYS 69 CB -0.0063 0.0038 -0.0008 638 LYS 69 CG -0.0030 0.0059 0.0022 639 LYS 69 CD -0.0009 0.0075 0.0046 640 LYS 69 CE 0.0027 0.0097 0.0077 641 LYS 69 NZ 0.0047 0.0110 0.0096 642 LYS 69 H -0.0099 -0.0003 -0.0067 643 LYS 69 HA -0.0114 0.0025 -0.0025 644 LYS 69 HB2 -0.0092 0.0048 0.0008 645 LYS 69 HB3 -0.0043 0.0027 -0.0024 646 LYS 69 HG2 -0.0003 0.0048 0.0006 647 LYS 69 HG3 -0.0051 0.0072 0.0042 648 LYS 69 HD2 -0.0039 0.0086 0.0061 649 LYS 69 HD3 0.0007 0.0061 0.0025 650 LYS 69 HE2 0.0056 0.0087 0.0063 651 LYS 69 HE3 0.0010 0.0112 0.0099 652 LYS 69 HZ1 0.0073 0.0125 0.0117 653 LYS 69 HZ2 0.0062 0.0095 0.0074 654 LYS 69 HZ3 0.0019 0.0119 0.0109 655 ARG 70 N -0.0013 -0.0010 -0.0049 656 ARG 70 CA -0.0007 -0.0020 -0.0023 657 ARG 70 C -0.0008 -0.0002 -0.0017 658 ARG 70 O -0.0004 0.0004 0.0008 659 ARG 70 CB -0.0003 -0.0052 -0.0027 660 ARG 70 CG 0.0004 -0.0065 0.0001 661 ARG 70 CD 0.0008 -0.0063 0.0025 662 ARG 70 NE 0.0014 -0.0074 0.0052 663 ARG 70 CZ 0.0017 -0.0064 0.0078 664 ARG 70 NH1 0.0015 -0.0043 0.0080 665 ARG 70 NH2 0.0023 -0.0076 0.0101 666 ARG 70 H -0.0014 -0.0022 -0.0067 667 ARG 70 HA -0.0004 -0.0018 -0.0006 668 ARG 70 HB2 -0.0003 -0.0064 -0.0035 669 ARG 70 HB3 -0.0006 -0.0053 -0.0043 670 ARG 70 HG2 0.0006 -0.0087 -0.0003 671 ARG 70 HG3 0.0003 -0.0053 0.0007 672 ARG 70 HD2 0.0005 -0.0040 0.0028 673 ARG 70 HD3 0.0008 -0.0075 0.0018 674 ARG 70 HE 0.0016 -0.0089 0.0050 675 ARG 70 HH11 0.0010 -0.0034 0.0064 676 ARG 70 HH12 0.0017 -0.0036 0.0100 677 ARG 70 HH21 0.0025 -0.0092 0.0099 678 ARG 70 HH22 0.0026 -0.0070 0.0121 679 LEU 71 N 0.0024 -0.0020 0.0014 680 LEU 71 CA 0.0026 -0.0024 0.0015 681 LEU 71 C 0.0027 -0.0043 0.0006 682 LEU 71 O 0.0023 -0.0046 -0.0002 683 LEU 71 CB 0.0038 -0.0022 0.0033 684 LEU 71 CG 0.0039 -0.0003 0.0044 685 LEU 71 CD1 0.0050 -0.0003 0.0062 686 LEU 71 CD2 0.0028 0.0013 0.0038 687 LEU 71 H 0.0030 -0.0019 0.0024 688 LEU 71 HA 0.0019 -0.0014 0.0010 689 LEU 71 HB2 0.0045 -0.0032 0.0038 690 LEU 71 HB3 0.0039 -0.0025 0.0033 691 LEU 71 HG 0.0038 -0.0001 0.0045 692 LEU 71 HD11 0.0051 -0.0005 0.0061 693 LEU 71 HD12 0.0058 -0.0014 0.0066 694 LEU 71 HD13 0.0051 0.0010 0.0069 695 LEU 71 HD21 0.0020 0.0013 0.0026 696 LEU 71 HD22 0.0028 0.0011 0.0037 697 LEU 71 HD23 0.0029 0.0025 0.0047 698 LYS 72 N -0.0017 -0.0088 -0.0016 699 LYS 72 CA -0.0002 -0.0053 -0.0013 700 LYS 72 C 0.0016 -0.0052 0.0015 701 LYS 72 O 0.0035 -0.0032 0.0033 702 LYS 72 CB -0.0013 -0.0033 -0.0043 703 LYS 72 CG 0.0002 0.0005 -0.0043 704 LYS 72 CD -0.0010 0.0024 -0.0074 705 LYS 72 CE 0.0004 0.0061 -0.0074 706 LYS 72 NZ -0.0007 0.0080 -0.0104 707 LYS 72 H -0.0032 -0.0095 -0.0035 708 LYS 72 HA 0.0005 -0.0042 -0.0009 709 LYS 72 HB2 -0.0025 -0.0034 -0.0062 710 LYS 72 HB3 -0.0020 -0.0044 -0.0047 711 LYS 72 HG2 0.0014 0.0007 -0.0025 712 LYS 72 HG3 0.0010 0.0017 -0.0037 713 LYS 72 HD2 -0.0022 0.0021 -0.0092 714 LYS 72 HD3 -0.0018 0.0012 -0.0079 715 LYS 72 HE2 0.0016 0.0064 -0.0057 716 LYS 72 HE3 0.0012 0.0072 -0.0068 717 LYS 72 HZ1 -0.0015 0.0070 -0.0111 718 LYS 72 HZ2 -0.0019 0.0079 -0.0121 719 LYS 72 HZ3 0.0003 0.0106 -0.0104 720 GLN 73 N -0.0022 -0.0043 -0.0004 721 GLN 73 CA -0.0007 -0.0035 -0.0017 722 GLN 73 C 0.0005 -0.0049 -0.0023 723 GLN 73 O 0.0019 -0.0051 -0.0033 724 GLN 73 CB -0.0010 -0.0015 -0.0018 725 GLN 73 CG -0.0020 0.0000 -0.0013 726 GLN 73 CD -0.0023 0.0019 -0.0014 727 GLN 73 OE1 -0.0024 0.0019 -0.0014 728 GLN 73 NE2 -0.0026 0.0035 -0.0016 729 GLN 73 H -0.0032 -0.0037 0.0002 730 GLN 73 HA -0.0001 -0.0032 -0.0021 731 GLN 73 HB2 -0.0015 -0.0018 -0.0014 732 GLN 73 HB3 0.0002 -0.0010 -0.0027 733 GLN 73 HG2 -0.0014 0.0004 -0.0018 734 GLN 73 HG3 -0.0031 -0.0005 -0.0004 735 GLN 73 HE21 -0.0025 0.0034 -0.0016 736 GLN 73 HE22 -0.0028 0.0048 -0.0016 737 LEU 74 N -0.0050 -0.0099 -0.0009 738 LEU 74 CA -0.0072 -0.0064 -0.0022 739 LEU 74 C -0.0080 -0.0060 -0.0026 740 LEU 74 O -0.0104 -0.0037 -0.0039 741 LEU 74 CB -0.0053 -0.0026 -0.0019 742 LEU 74 CG -0.0075 0.0013 -0.0033 743 LEU 74 CD1 -0.0113 0.0007 -0.0047 744 LEU 74 CD2 -0.0052 0.0047 -0.0027 745 LEU 74 H -0.0023 -0.0095 0.0001 746 LEU 74 HA -0.0099 -0.0070 -0.0033 747 LEU 74 HB2 -0.0045 -0.0032 -0.0015 748 LEU 74 HB3 -0.0028 -0.0022 -0.0009 749 LEU 74 HG -0.0081 0.0020 -0.0036 750 LEU 74 HD11 -0.0127 0.0035 -0.0056 751 LEU 74 HD12 -0.0108 -0.0001 -0.0044 752 LEU 74 HD13 -0.0130 -0.0016 -0.0051 753 LEU 74 HD21 -0.0046 0.0041 -0.0024 754 LEU 74 HD22 -0.0067 0.0075 -0.0037 755 LEU 74 HD23 -0.0026 0.0052 -0.0017 756 SER 75 N -0.0012 -0.0059 0.0011 757 SER 75 CA -0.0020 -0.0049 0.0008 758 SER 75 C -0.0013 -0.0033 -0.0002 759 SER 75 O -0.0020 -0.0022 -0.0006 760 SER 75 CB -0.0039 -0.0047 0.0013 761 SER 75 OG -0.0046 -0.0038 0.0010 762 SER 75 H -0.0004 -0.0067 0.0013 763 SER 75 HA -0.0016 -0.0054 0.0010 764 SER 75 HB2 -0.0043 -0.0058 0.0020 765 SER 75 HB3 -0.0043 -0.0042 0.0011 766 SER 75 HG -0.0055 -0.0043 0.0015 767 VAL 76 N 0.0014 -0.0067 0.0019 768 VAL 76 CA 0.0020 -0.0055 0.0022 769 VAL 76 C 0.0022 -0.0070 0.0035 770 VAL 76 O 0.0018 -0.0073 0.0028 771 VAL 76 CB 0.0033 -0.0036 0.0032 772 VAL 76 CG1 0.0040 -0.0024 0.0036 773 VAL 76 CG2 0.0032 -0.0020 0.0020 774 VAL 76 H 0.0019 -0.0063 0.0024 775 VAL 76 HA 0.0014 -0.0049 0.0008 776 VAL 76 HB 0.0039 -0.0042 0.0046 777 VAL 76 HG11 0.0049 -0.0010 0.0043 778 VAL 76 HG12 0.0034 -0.0018 0.0022 779 VAL 76 HG13 0.0041 -0.0035 0.0046 780 VAL 76 HG21 0.0041 -0.0007 0.0028 781 VAL 76 HG22 0.0027 -0.0029 0.0018 782 VAL 76 HG23 0.0026 -0.0014 0.0006 783 GLU 77 N -0.0033 -0.0011 -0.0033 784 GLU 77 CA -0.0026 -0.0017 -0.0027 785 GLU 77 C -0.0023 -0.0029 -0.0027 786 GLU 77 O -0.0019 -0.0029 -0.0023 787 GLU 77 CB -0.0018 -0.0010 -0.0018 788 GLU 77 CG -0.0016 -0.0005 -0.0014 789 GLU 77 CD -0.0009 0.0002 -0.0005 790 GLU 77 OE1 -0.0010 0.0011 -0.0004 791 GLU 77 OE2 -0.0002 -0.0003 0.0001 792 GLU 77 H -0.0033 -0.0011 -0.0033 793 GLU 77 HA -0.0027 -0.0019 -0.0029 794 GLU 77 HB2 -0.0013 -0.0016 -0.0013 795 GLU 77 HB3 -0.0020 -0.0003 -0.0017 796 GLU 77 HG2 -0.0022 0.0002 -0.0018 797 GLU 77 HG3 -0.0015 -0.0011 -0.0014 798 PRO 78 N -0.0037 0.0028 -0.0082 799 PRO 78 CA -0.0045 0.0026 -0.0065 800 PRO 78 C -0.0023 0.0057 -0.0135 801 PRO 78 O -0.0034 0.0119 -0.0172 802 PRO 78 CB -0.0101 0.0076 -0.0010 803 PRO 78 CG -0.0120 0.0084 0.0017 804 PRO 78 CD -0.0083 0.0079 -0.0045 805 PRO 78 HA -0.0029 -0.0030 -0.0041 806 PRO 78 HB2 -0.0113 0.0129 -0.0038 807 PRO 78 HB3 -0.0111 0.0051 0.0034 808 PRO 78 HG2 -0.0155 0.0138 0.0031 809 PRO 78 HG3 -0.0123 0.0040 0.0064 810 PRO 78 HD2 -0.0091 0.0132 -0.0082 811 PRO 78 HD3 -0.0082 0.0055 -0.0025 812 TYR 79 N 0.0034 0.0026 -0.0182 813 TYR 79 CA 0.0012 0.0036 -0.0220 814 TYR 79 C 0.0041 0.0012 -0.0288 815 TYR 79 O 0.0020 0.0020 -0.0340 816 TYR 79 CB -0.0054 0.0078 -0.0227 817 TYR 79 CG -0.0082 0.0102 -0.0159 818 TYR 79 CD1 -0.0097 0.0115 -0.0123 819 TYR 79 CD2 -0.0093 0.0112 -0.0132 820 TYR 79 CE1 -0.0122 0.0137 -0.0062 821 TYR 79 CE2 -0.0119 0.0134 -0.0070 822 TYR 79 CZ -0.0133 0.0146 -0.0035 823 TYR 79 OH -0.0158 0.0168 0.0028 824 TYR 79 H 0.0059 0.0013 -0.0141 825 TYR 79 HA 0.0028 0.0029 -0.0190 826 TYR 79 HB2 -0.0070 0.0086 -0.0252 827 TYR 79 HB3 -0.0066 0.0083 -0.0258 828 TYR 79 HD1 -0.0089 0.0108 -0.0144 829 TYR 79 HD2 -0.0082 0.0102 -0.0159 830 TYR 79 HE1 -0.0133 0.0147 -0.0034 831 TYR 79 HE2 -0.0127 0.0141 -0.0049 832 TYR 79 HH -0.0134 0.0155 0.0053 833 SER 80 N 0.0065 0.0011 -0.0091 834 SER 80 CA 0.0048 0.0013 -0.0073 835 SER 80 C 0.0053 0.0013 -0.0077 836 SER 80 O 0.0074 0.0011 -0.0091 837 SER 80 CB 0.0017 0.0012 -0.0078 838 SER 80 OG -0.0001 0.0014 -0.0059 839 SER 80 H 0.0058 0.0009 -0.0111 840 SER 80 HA 0.0053 0.0015 -0.0052 841 SER 80 HB2 0.0014 0.0012 -0.0077 842 SER 80 HB3 0.0011 0.0009 -0.0099 843 SER 80 HG -0.0000 0.0016 -0.0042 844 GLN 81 N 0.0044 0.0041 -0.0023 845 GLN 81 CA 0.0036 0.0042 0.0003 846 GLN 81 C 0.0029 0.0056 -0.0007 847 GLN 81 O 0.0025 0.0073 -0.0029 848 GLN 81 CB 0.0019 0.0056 0.0025 849 GLN 81 CG 0.0012 0.0054 0.0054 850 GLN 81 CD -0.0005 0.0069 0.0076 851 GLN 81 OE1 -0.0016 0.0089 0.0067 852 GLN 81 NE2 -0.0007 0.0060 0.0104 853 GLN 81 H 0.0039 0.0051 -0.0027 854 GLN 81 HA 0.0045 0.0022 0.0013 855 GLN 81 HB2 0.0024 0.0048 0.0029 856 GLN 81 HB3 0.0009 0.0076 0.0016 857 GLN 81 HG2 0.0008 0.0061 0.0050 858 GLN 81 HG3 0.0022 0.0034 0.0064 859 GLN 81 HE21 0.0002 0.0043 0.0109 860 GLN 81 HE22 -0.0018 0.0069 0.0118 861 GLU 82 N 0.0058 0.0039 -0.0023 862 GLU 82 CA 0.0085 -0.0018 0.0003 863 GLU 82 C 0.0029 -0.0031 0.0046 864 GLU 82 O 0.0039 -0.0074 0.0073 865 GLU 82 CB 0.0125 -0.0073 0.0021 866 GLU 82 CG 0.0156 -0.0133 0.0047 867 GLU 82 CD 0.0196 -0.0182 0.0060 868 GLU 82 OE1 0.0168 -0.0209 0.0097 869 GLU 82 OE2 0.0258 -0.0196 0.0033 870 GLU 82 H 0.0065 0.0076 -0.0055 871 GLU 82 HA 0.0117 -0.0007 -0.0024 872 GLU 82 HB2 0.0164 -0.0061 -0.0012 873 GLU 82 HB3 0.0092 -0.0081 0.0046 874 GLU 82 HG2 0.0118 -0.0149 0.0082 875 GLU 82 HG3 0.0188 -0.0126 0.0022 876 GLU 83 N 0.0055 0.0037 -0.0022 877 GLU 83 CA 0.0056 0.0017 -0.0035 878 GLU 83 C 0.0048 -0.0027 -0.0037 879 GLU 83 O 0.0037 -0.0047 -0.0019 880 GLU 83 CB 0.0074 0.0031 -0.0072 881 GLU 83 CG 0.0078 0.0012 -0.0089 882 GLU 83 CD 0.0095 0.0029 -0.0123 883 GLU 83 OE1 0.0106 0.0022 -0.0151 884 GLU 83 OE2 0.0099 0.0052 -0.0122 885 GLU 83 H 0.0058 0.0030 -0.0033 886 GLU 83 HA 0.0050 0.0024 -0.0016 887 GLU 83 HB2 0.0079 0.0061 -0.0069 888 GLU 83 HB3 0.0081 0.0025 -0.0090 889 GLU 83 HG2 0.0074 -0.0019 -0.0096 890 GLU 83 HG3 0.0070 0.0014 -0.0070 891 ALA 84 N -0.0006 -0.0005 -0.0018 892 ALA 84 CA -0.0072 -0.0066 -0.0062 893 ALA 84 C -0.0073 -0.0067 -0.0066 894 ALA 84 O -0.0110 -0.0105 -0.0121 895 ALA 84 CB -0.0076 -0.0081 -0.0159 896 ALA 84 H 0.0041 0.0029 -0.0058 897 ALA 84 HA -0.0119 -0.0099 -0.0016 898 ALA 84 HB1 -0.0124 -0.0125 -0.0191 899 ALA 84 HB2 -0.0027 -0.0046 -0.0204 900 ALA 84 HB3 -0.0080 -0.0083 -0.0152 901 GLU 85 N 0.0019 -0.0091 0.0001 902 GLU 85 CA -0.0035 -0.0112 0.0048 903 GLU 85 C -0.0078 -0.0039 0.0067 904 GLU 85 O -0.0078 0.0008 0.0057 905 GLU 85 CB -0.0025 -0.0142 0.0047 906 GLU 85 CG -0.0076 -0.0180 0.0095 907 GLU 85 CD -0.0132 -0.0128 0.0128 908 GLU 85 OE1 -0.0136 -0.0098 0.0125 909 GLU 85 OE2 -0.0174 -0.0115 0.0158 910 GLU 85 H 0.0019 -0.0038 -0.0010 911 GLU 85 HA -0.0050 -0.0154 0.0069 912 GLU 85 HB2 0.0015 -0.0182 0.0023 913 GLU 85 HB3 -0.0019 -0.0095 0.0032 914 GLU 85 HG2 -0.0087 -0.0210 0.0110 915 GLU 85 HG3 -0.0060 -0.0217 0.0090 916 ARG 86 N -0.0072 -0.0007 0.0014 917 ARG 86 CA -0.0076 -0.0027 -0.0013 918 ARG 86 C -0.0060 -0.0025 -0.0032 919 ARG 86 O -0.0039 -0.0006 -0.0032 920 ARG 86 CB -0.0075 -0.0036 -0.0028 921 ARG 86 CG -0.0053 -0.0016 -0.0029 922 ARG 86 CD -0.0027 -0.0004 -0.0046 923 ARG 86 NE -0.0008 0.0015 -0.0043 924 ARG 86 CZ 0.0016 0.0032 -0.0051 925 ARG 86 NH1 0.0025 0.0032 -0.0063 926 ARG 86 NH2 0.0032 0.0049 -0.0047 927 ARG 86 H -0.0056 0.0008 0.0014 928 ARG 86 HA -0.0095 -0.0041 -0.0007 929 ARG 86 HB2 -0.0073 -0.0048 -0.0049 930 ARG 86 HB3 -0.0092 -0.0044 -0.0017 931 ARG 86 HG2 -0.0055 -0.0024 -0.0038 932 ARG 86 HG3 -0.0054 -0.0004 -0.0007 933 ARG 86 HD2 -0.0026 0.0002 -0.0038 934 ARG 86 HD3 -0.0025 -0.0016 -0.0067 935 ARG 86 HE -0.0013 0.0015 -0.0035 936 ARG 86 HH11 0.0014 0.0019 -0.0067 937 ARG 86 HH12 0.0042 0.0044 -0.0069 938 ARG 86 HH21 0.0027 0.0050 -0.0038 939 ARG 86 HH22 0.0050 0.0062 -0.0052 940 ALA 87 N 0.0020 -0.0083 0.0004 941 ALA 87 CA -0.0006 -0.0083 -0.0004 942 ALA 87 C -0.0011 -0.0058 -0.0021 943 ALA 87 O -0.0033 -0.0054 -0.0031 944 ALA 87 CB -0.0026 -0.0098 -0.0002 945 ALA 87 H 0.0021 -0.0081 0.0003 946 ALA 87 HA -0.0005 -0.0091 0.0000 947 ALA 87 HB1 -0.0026 -0.0091 -0.0006 948 ALA 87 HB2 -0.0022 -0.0116 0.0010 949 ALA 87 HB3 -0.0045 -0.0099 -0.0008 950 ALA 88 N 0.0122 -0.0037 -0.0184 951 ALA 88 CA 0.0137 -0.0091 -0.0201 952 ALA 88 C 0.0152 -0.0002 -0.0217 953 ALA 88 O 0.0102 0.0034 -0.0159 954 ALA 88 CB 0.0073 -0.0169 -0.0130 955 ALA 88 H 0.0087 0.0026 -0.0143 956 ALA 88 HA 0.0188 -0.0141 -0.0259 957 ALA 88 HB1 0.0022 -0.0120 -0.0072 958 ALA 88 HB2 0.0063 -0.0232 -0.0120 959 ALA 88 HB3 0.0087 -0.0210 -0.0147 960 GLY 89 N -0.0265 0.0051 0.0068 961 GLY 89 CA 0.0019 -0.0132 0.0113 962 GLY 89 C 0.0393 -0.0127 0.0302 963 GLY 89 O 0.0478 -0.0257 0.0275 964 GLY 89 H -0.0214 0.0218 0.0183 965 GLY 89 HA2 -0.0009 -0.0409 -0.0050 966 GLY 89 HA3 -0.0007 0.0001 0.0171 967 MET 90 N -0.0086 0.0050 -0.0055 968 MET 90 CA -0.0046 0.0051 -0.0009 969 MET 90 C -0.0016 0.0000 -0.0014 970 MET 90 O -0.0018 -0.0008 -0.0023 971 MET 90 CB -0.0054 0.0097 0.0017 972 MET 90 CG -0.0015 0.0108 0.0069 973 MET 90 SD 0.0029 0.0059 0.0081 974 MET 90 CE 0.0064 0.0088 0.0142 975 MET 90 H -0.0093 0.0053 -0.0060 976 MET 90 HA -0.0031 0.0053 0.0009 977 MET 90 HB2 -0.0079 0.0131 0.0015 978 MET 90 HB3 -0.0065 0.0091 0.0000 979 MET 90 HG2 -0.0004 0.0114 0.0086 980 MET 90 HG3 -0.0026 0.0143 0.0083 981 MET 90 HE1 0.0072 0.0097 0.0158 982 MET 90 HE2 0.0092 0.0063 0.0154 983 MET 90 HE3 0.0047 0.0123 0.0150 984 GLY 91 N 0.0010 0.0140 -0.0009 985 GLY 91 CA 0.0018 0.0100 0.0011 986 GLY 91 C 0.0038 0.0097 0.0031 987 GLY 91 O 0.0028 0.0074 0.0028 988 GLY 91 H -0.0001 0.0149 -0.0022 989 GLY 91 HA2 0.0031 0.0096 0.0024 990 GLY 91 HA3 -0.0003 0.0077 -0.0002 991 SER 92 N -0.0019 0.0057 0.0090 992 SER 92 CA 0.0065 0.0150 0.0005 993 SER 92 C 0.0101 0.0098 -0.0190 994 SER 92 O 0.0044 -0.0036 -0.0255 995 SER 92 CB 0.0034 0.0139 0.0074 996 SER 92 OG 0.0000 0.0188 0.0257 997 SER 92 H -0.0082 -0.0055 0.0080 998 SER 92 HA 0.0126 0.0271 0.0035 999 SER 92 HB2 -0.0026 0.0019 0.0044 1000 SER 92 HB3 0.0099 0.0214 0.0015 1001 SER 92 HG -0.0008 0.0194 0.0292 1002 TYR 93 N -0.0056 0.0101 -0.0040 1003 TYR 93 CA -0.0011 0.0071 -0.0026 1004 TYR 93 C 0.0032 0.0089 -0.0003 1005 TYR 93 O 0.0024 0.0112 -0.0002 1006 TYR 93 CB -0.0017 0.0011 -0.0041 1007 TYR 93 CG 0.0024 -0.0026 -0.0030 1008 TYR 93 CD1 0.0019 -0.0042 -0.0036 1009 TYR 93 CD2 0.0066 -0.0044 -0.0015 1010 TYR 93 CE1 0.0055 -0.0075 -0.0026 1011 TYR 93 CE2 0.0103 -0.0077 -0.0005 1012 TYR 93 CZ 0.0097 -0.0093 -0.0011 1013 TYR 93 OH 0.0134 -0.0126 -0.0001 1014 TYR 93 H -0.0066 0.0093 -0.0046 1015 TYR 93 HA -0.0007 0.0080 -0.0022 1016 TYR 93 HB2 -0.0052 0.0001 -0.0058 1017 TYR 93 HB3 -0.0016 0.0002 -0.0042 1018 TYR 93 HD1 -0.0014 -0.0028 -0.0048 1019 TYR 93 HD2 0.0071 -0.0032 -0.0010 1020 TYR 93 HE1 0.0051 -0.0087 -0.0031 1021 TYR 93 HE2 0.0136 -0.0091 0.0006 1022 TYR 93 HH 0.0165 -0.0110 0.0016 1023 VAL 94 N -0.0208 -0.0073 -0.0004 1024 VAL 94 CA -0.0159 -0.0042 -0.0002 1025 VAL 94 C -0.0151 -0.0042 -0.0003 1026 VAL 94 O -0.0139 -0.0084 -0.0013 1027 VAL 94 CB -0.0106 -0.0060 -0.0011 1028 VAL 94 CG1 -0.0094 -0.0119 -0.0025 1029 VAL 94 CG2 -0.0057 -0.0025 -0.0008 1030 VAL 94 H -0.0204 -0.0104 -0.0011 1031 VAL 94 HA -0.0168 -0.0001 0.0008 1032 VAL 94 HB -0.0114 -0.0053 -0.0009 1033 VAL 94 HG11 -0.0058 -0.0129 -0.0030 1034 VAL 94 HG12 -0.0089 -0.0127 -0.0027 1035 VAL 94 HG13 -0.0128 -0.0143 -0.0026 1036 VAL 94 HG21 -0.0050 -0.0028 -0.0010 1037 VAL 94 HG22 -0.0021 -0.0037 -0.0014 1038 VAL 94 HG23 -0.0065 0.0017 0.0001