1 ASP 28 N -0.0170 0.0123 0.0164 2 ASP 28 CA -0.0120 0.0093 0.0073 3 ASP 28 C 0.0349 0.0256 -0.0039 4 ASP 28 O 0.0599 0.0231 -0.0288 5 ASP 28 CB -0.0333 -0.0219 -0.0275 6 ASP 28 CG -0.0299 -0.0268 -0.0385 7 ASP 28 OD1 -0.0489 -0.0210 -0.0131 8 ASP 28 OD2 -0.0103 -0.0378 -0.0730 9 ASP 28 H -0.0489 0.0010 0.0237 10 ASP 28 HA -0.0272 0.0180 0.0344 11 ASP 28 HB2 -0.0667 -0.0331 -0.0188 12 ASP 28 HB3 -0.0185 -0.0305 -0.0542 13 PRO 29 N 0.0234 -0.0063 0.0040 14 PRO 29 CA 0.0203 -0.0063 0.0034 15 PRO 29 C 0.0217 -0.0075 0.0083 16 PRO 29 O 0.0268 -0.0076 0.0098 17 PRO 29 CB 0.0225 -0.0048 -0.0021 18 PRO 29 CG 0.0253 -0.0039 -0.0052 19 PRO 29 CD 0.0274 -0.0049 -0.0008 20 PRO 29 HA 0.0156 -0.0065 0.0031 21 PRO 29 HB2 0.0256 -0.0049 -0.0011 22 PRO 29 HB3 0.0189 -0.0044 -0.0045 23 PRO 29 HG2 0.0289 -0.0031 -0.0077 24 PRO 29 HG3 0.0221 -0.0034 -0.0079 25 PRO 29 HD2 0.0319 -0.0050 0.0004 26 PRO 29 HD3 0.0271 -0.0046 -0.0023 27 ASN 30 N 0.0075 0.0103 -0.0057 28 ASN 30 CA 0.0000 0.0188 -0.0064 29 ASN 30 C 0.0004 0.0308 -0.0103 30 ASN 30 O -0.0070 0.0346 -0.0096 31 ASN 30 CB -0.0122 0.0150 -0.0020 32 ASN 30 CG -0.0210 0.0234 -0.0024 33 ASN 30 OD1 -0.0224 0.0231 -0.0019 34 ASN 30 ND2 -0.0270 0.0307 -0.0031 35 ASN 30 H 0.0129 0.0055 -0.0055 36 ASN 30 HA 0.0034 0.0192 -0.0074 37 ASN 30 HB2 -0.0118 0.0070 0.0004 38 ASN 30 HB3 -0.0146 0.0135 -0.0009 39 ASN 30 HD21 -0.0257 0.0305 -0.0034 40 ASN 30 HD22 -0.0326 0.0362 -0.0034 41 ALA 31 N -0.0053 -0.0177 0.0210 42 ALA 31 CA -0.0069 -0.0017 0.0088 43 ALA 31 C -0.0053 -0.0231 -0.0147 44 ALA 31 O -0.0056 -0.0236 -0.0436 45 ALA 31 CB -0.0099 0.0302 -0.0073 46 ALA 31 H -0.0037 -0.0373 0.0100 47 ALA 31 HA -0.0070 0.0031 0.0291 48 ALA 31 HB1 -0.0111 0.0419 -0.0151 49 ALA 31 HB2 -0.0098 0.0258 -0.0278 50 ALA 31 HB3 -0.0111 0.0454 0.0096 51 GLU 32 N -0.0079 0.0059 0.0299 52 GLU 32 CA -0.0004 0.0001 0.0155 53 GLU 32 C -0.0138 -0.0035 -0.0016 54 GLU 32 O -0.0133 -0.0078 -0.0144 55 GLU 32 CB 0.0196 -0.0043 0.0112 56 GLU 32 CG 0.0209 -0.0067 0.0045 57 GLU 32 CD 0.0410 -0.0112 -0.0002 58 GLU 32 OE1 0.0463 -0.0173 -0.0162 59 GLU 32 OE2 0.0520 -0.0089 0.0120 60 GLU 32 H -0.0022 0.0056 0.0317 61 GLU 32 HA 0.0002 0.0017 0.0209 62 GLU 32 HB2 0.0247 -0.0085 0.0007 63 GLU 32 HB3 0.0285 -0.0016 0.0238 64 GLU 32 HG2 0.0163 -0.0025 0.0152 65 GLU 32 HG3 0.0115 -0.0093 -0.0077 66 PHE 33 N -0.0033 -0.0102 0.0058 67 PHE 33 CA -0.0060 -0.0045 0.0022 68 PHE 33 C -0.0064 -0.0073 0.0041 69 PHE 33 O -0.0057 -0.0138 0.0083 70 PHE 33 CB -0.0149 -0.0017 0.0007 71 PHE 33 CG -0.0214 -0.0075 0.0048 72 PHE 33 CD1 -0.0259 -0.0099 0.0065 73 PHE 33 CD2 -0.0229 -0.0106 0.0069 74 PHE 33 CE1 -0.0318 -0.0152 0.0102 75 PHE 33 CE2 -0.0288 -0.0159 0.0106 76 PHE 33 CZ -0.0332 -0.0182 0.0123 77 PHE 33 H -0.0072 -0.0139 0.0085 78 PHE 33 HA -0.0016 -0.0003 -0.0008 79 PHE 33 HB2 -0.0172 0.0020 -0.0016 80 PHE 33 HB3 -0.0143 0.0009 -0.0010 81 PHE 33 HD1 -0.0248 -0.0075 0.0049 82 PHE 33 HD2 -0.0195 -0.0088 0.0056 83 PHE 33 HE1 -0.0352 -0.0169 0.0115 84 PHE 33 HE2 -0.0299 -0.0183 0.0122 85 PHE 33 HZ -0.0378 -0.0224 0.0152 86 ASP 34 N -0.0056 0.0086 0.0031 87 ASP 34 CA -0.0049 0.0086 0.0028 88 ASP 34 C -0.0045 0.0087 0.0030 89 ASP 34 O -0.0046 0.0089 0.0035 90 ASP 34 CB -0.0045 0.0088 0.0032 91 ASP 34 CG -0.0039 0.0087 0.0029 92 ASP 34 OD1 -0.0034 0.0088 0.0030 93 ASP 34 OD2 -0.0038 0.0086 0.0026 94 ASP 34 H -0.0057 0.0088 0.0035 95 ASP 34 HA -0.0049 0.0084 0.0023 96 ASP 34 HB2 -0.0048 0.0087 0.0031 97 ASP 34 HB3 -0.0045 0.0089 0.0037 98 PRO 35 N -0.0109 0.0020 0.0011 99 PRO 35 CA -0.0075 0.0058 0.0047 100 PRO 35 C 0.0014 0.0122 0.0075 101 PRO 35 O 0.0050 0.0157 0.0103 102 PRO 35 CB -0.0064 0.0023 -0.0032 103 PRO 35 CG -0.0037 -0.0004 -0.0113 104 PRO 35 CD -0.0086 -0.0019 -0.0089 105 PRO 35 HA -0.0122 0.0060 0.0104 106 PRO 35 HB2 -0.0014 0.0054 -0.0027 107 PRO 35 HB3 -0.0126 -0.0011 -0.0031 108 PRO 35 HG2 0.0033 0.0029 -0.0127 109 PRO 35 HG3 -0.0056 -0.0044 -0.0170 110 PRO 35 HD2 -0.0044 -0.0008 -0.0114 111 PRO 35 HD3 -0.0145 -0.0065 -0.0115 112 ASP 36 N -0.0028 0.0092 -0.0091 113 ASP 36 CA 0.0073 0.0045 -0.0006 114 ASP 36 C 0.0052 0.0185 0.0069 115 ASP 36 O 0.0083 0.0167 0.0092 116 ASP 36 CB 0.0204 -0.0018 0.0103 117 ASP 36 CG 0.0313 -0.0063 0.0199 118 ASP 36 OD1 0.0345 -0.0187 0.0149 119 ASP 36 OD2 0.0368 0.0027 0.0327 120 ASP 36 H -0.0024 0.0155 -0.0043 121 ASP 36 HA 0.0069 -0.0049 -0.0077 122 ASP 36 HB2 0.0219 -0.0123 0.0045 123 ASP 36 HB3 0.0206 0.0072 0.0169 124 LEU 37 N -0.0030 0.0056 0.0116 125 LEU 37 CA -0.0024 0.0061 0.0098 126 LEU 37 C -0.0030 0.0059 0.0112 127 LEU 37 O -0.0027 0.0043 0.0132 128 LEU 37 CB -0.0002 0.0046 0.0080 129 LEU 37 CG 0.0006 0.0051 0.0057 130 LEU 37 CD1 -0.0005 0.0075 0.0039 131 LEU 37 CD2 0.0004 0.0047 0.0068 132 LEU 37 H -0.0020 0.0041 0.0123 133 LEU 37 HA -0.0032 0.0079 0.0086 134 LEU 37 HB2 0.0006 0.0029 0.0092 135 LEU 37 HB3 0.0002 0.0047 0.0071 136 LEU 37 HG 0.0022 0.0040 0.0046 137 LEU 37 HD11 0.0001 0.0078 0.0024 138 LEU 37 HD12 -0.0021 0.0087 0.0050 139 LEU 37 HD13 -0.0002 0.0078 0.0031 140 LEU 37 HD21 0.0009 0.0051 0.0052 141 LEU 37 HD22 0.0013 0.0029 0.0080 142 LEU 37 HD23 -0.0012 0.0058 0.0080 143 PRO 38 N 0.0053 -0.0093 0.0016 144 PRO 38 CA 0.0037 -0.0086 0.0017 145 PRO 38 C 0.0040 -0.0086 0.0017 146 PRO 38 O 0.0054 -0.0081 0.0013 147 PRO 38 CB 0.0036 -0.0066 0.0013 148 PRO 38 CG 0.0046 -0.0066 0.0011 149 PRO 38 CD 0.0061 -0.0080 0.0012 150 PRO 38 HA 0.0026 -0.0092 0.0021 151 PRO 38 HB2 0.0042 -0.0058 0.0010 152 PRO 38 HB3 0.0022 -0.0062 0.0015 153 PRO 38 HG2 0.0051 -0.0053 0.0007 154 PRO 38 HG3 0.0037 -0.0069 0.0014 155 PRO 38 HD2 0.0073 -0.0074 0.0008 156 PRO 38 HD3 0.0064 -0.0086 0.0012 157 GLY 39 N -0.0019 -0.0101 -0.0005 158 GLY 39 CA 0.0011 -0.0082 -0.0011 159 GLY 39 C 0.0028 -0.0073 0.0020 160 GLY 39 O 0.0053 -0.0057 0.0020 161 GLY 39 H -0.0031 -0.0109 -0.0005 162 GLY 39 HA2 0.0015 -0.0079 -0.0023 163 GLY 39 HA3 0.0017 -0.0077 -0.0028 164 GLY 40 N -0.0053 -0.0002 0.0025 165 GLY 40 CA -0.0041 -0.0009 0.0039 166 GLY 40 C -0.0024 -0.0002 0.0048 167 GLY 40 O -0.0012 -0.0004 0.0059 168 GLY 40 H -0.0062 -0.0011 0.0024 169 GLY 40 HA2 -0.0045 -0.0023 0.0045 170 GLY 40 HA3 -0.0040 -0.0004 0.0037 171 GLY 41 N 0.0021 -0.0055 0.0059 172 GLY 41 CA 0.0027 -0.0053 0.0057 173 GLY 41 C 0.0043 -0.0047 0.0052 174 GLY 41 O 0.0051 -0.0044 0.0051 175 GLY 41 H 0.0013 -0.0056 0.0052 176 GLY 41 HA2 0.0019 -0.0053 0.0048 177 GLY 41 HA3 0.0027 -0.0055 0.0068 178 LEU 42 N 0.0045 -0.0048 0.0004 179 LEU 42 CA 0.0064 0.0096 -0.0012 180 LEU 42 C 0.0077 0.0075 -0.0061 181 LEU 42 O 0.0088 0.0185 -0.0060 182 LEU 42 CB 0.0107 0.0188 -0.0125 183 LEU 42 CG 0.0101 0.0222 -0.0093 184 LEU 42 CD1 0.0146 0.0312 -0.0217 185 LEU 42 CD2 0.0066 0.0309 0.0054 186 LEU 42 H 0.0067 -0.0092 -0.0086 187 LEU 42 HA 0.0040 0.0159 0.0092 188 LEU 42 HB2 0.0131 0.0126 -0.0230 189 LEU 42 HB3 0.0121 0.0295 -0.0135 190 LEU 42 HG 0.0089 0.0115 -0.0088 191 LEU 42 HD11 0.0141 0.0336 -0.0192 192 LEU 42 HD12 0.0161 0.0418 -0.0228 193 LEU 42 HD13 0.0170 0.0245 -0.0319 194 LEU 42 HD21 0.0078 0.0415 0.0052 195 LEU 42 HD22 0.0063 0.0333 0.0073 196 LEU 42 HD23 0.0034 0.0239 0.0142 197 HIS 43 N 0.0070 0.0015 0.0025 198 HIS 43 CA 0.0072 0.0002 0.0035 199 HIS 43 C 0.0079 -0.0057 0.0098 200 HIS 43 O 0.0106 -0.0123 0.0086 201 HIS 43 CB 0.0099 -0.0021 -0.0039 202 HIS 43 CG 0.0098 0.0031 -0.0109 203 HIS 43 ND1 0.0079 0.0093 -0.0127 204 HIS 43 CD2 0.0113 0.0028 -0.0167 205 HIS 43 CE1 0.0083 0.0126 -0.0193 206 HIS 43 NE2 0.0104 0.0088 -0.0217 207 HIS 43 H 0.0088 -0.0028 0.0018 208 HIS 43 HA 0.0050 0.0052 0.0052 209 HIS 43 HB2 0.0122 -0.0076 -0.0049 210 HIS 43 HB3 0.0097 -0.0022 -0.0028 211 HIS 43 HD1 0.0064 0.0112 -0.0096 212 HIS 43 HD2 0.0130 -0.0015 -0.0171 213 HIS 43 HE1 0.0072 0.0176 -0.0221 214 HIS 43 HE2 0.0107 0.0106 -0.0259 215 ARG 44 N 0.0025 -0.0104 0.0157 216 ARG 44 CA 0.0054 -0.0046 0.0112 217 ARG 44 C 0.0043 -0.0069 0.0130 218 ARG 44 O 0.0011 -0.0145 0.0142 219 ARG 44 CB 0.0064 -0.0059 0.0008 220 ARG 44 CG 0.0068 -0.0062 -0.0030 221 ARG 44 CD 0.0074 -0.0084 -0.0133 222 ARG 44 NE 0.0076 -0.0095 -0.0175 223 ARG 44 CZ 0.0085 -0.0104 -0.0266 224 ARG 44 NH1 0.0093 -0.0107 -0.0325 225 ARG 44 NH2 0.0087 -0.0112 -0.0298 226 ARG 44 H 0.0001 -0.0168 0.0147 227 ARG 44 HA 0.0078 0.0021 0.0131 228 ARG 44 HB2 0.0044 -0.0117 -0.0013 229 ARG 44 HB3 0.0090 -0.0005 -0.0022 230 ARG 44 HG2 0.0091 0.0000 -0.0015 231 ARG 44 HG3 0.0043 -0.0113 0.0006 232 ARG 44 HD2 0.0052 -0.0144 -0.0146 233 ARG 44 HD3 0.0099 -0.0032 -0.0165 234 ARG 44 HE 0.0070 -0.0095 -0.0131 235 ARG 44 HH11 0.0092 -0.0101 -0.0304 236 ARG 44 HH12 0.0099 -0.0114 -0.0394 237 ARG 44 HH21 0.0081 -0.0110 -0.0257 238 ARG 44 HH22 0.0094 -0.0119 -0.0367 239 CYS 45 N 0.0024 -0.0118 0.0142 240 CYS 45 CA 0.0013 -0.0147 0.0133 241 CYS 45 C -0.0007 -0.0137 0.0091 242 CYS 45 O -0.0004 -0.0102 0.0078 243 CYS 45 CB 0.0026 -0.0142 0.0157 244 CYS 45 SG 0.0010 -0.0173 0.0142 245 CYS 45 H 0.0033 -0.0088 0.0145 246 CYS 45 HA 0.0008 -0.0179 0.0139 247 CYS 45 HB2 0.0038 -0.0154 0.0187 248 CYS 45 HB3 0.0034 -0.0109 0.0157 249 LEU 46 N 0.0042 -0.0320 -0.0209 250 LEU 46 CA -0.0137 -0.0292 -0.0058 251 LEU 46 C -0.0324 -0.0479 -0.0127 252 LEU 46 O -0.0526 -0.0504 -0.0015 253 LEU 46 CB -0.0035 -0.0166 0.0005 254 LEU 46 CG 0.0143 0.0031 0.0090 255 LEU 46 CD1 0.0246 0.0138 0.0132 256 LEU 46 CD2 0.0044 0.0143 0.0273 257 LEU 46 H 0.0192 -0.0279 -0.0267 258 LEU 46 HA -0.0209 -0.0221 0.0066 259 LEU 46 HB2 0.0040 -0.0237 -0.0120 260 LEU 46 HB3 -0.0170 -0.0149 0.0114 261 LEU 46 HG 0.0272 0.0011 -0.0019 262 LEU 46 HD11 0.0330 0.0064 -0.0003 263 LEU 46 HD12 0.0367 0.0279 0.0197 264 LEU 46 HD13 0.0113 0.0147 0.0231 265 LEU 46 HD21 -0.0013 0.0073 0.0239 266 LEU 46 HD22 -0.0096 0.0155 0.0381 267 LEU 46 HD23 0.0174 0.0283 0.0332 268 ALA 47 N -0.0084 -0.0230 -0.0069 269 ALA 47 CA -0.0088 -0.0209 -0.0091 270 ALA 47 C -0.0121 -0.0209 -0.0088 271 ALA 47 O -0.0126 -0.0197 -0.0102 272 ALA 47 CB -0.0087 -0.0187 -0.0115 273 ALA 47 H -0.0084 -0.0228 -0.0071 274 ALA 47 HA -0.0067 -0.0210 -0.0092 275 ALA 47 HB1 -0.0089 -0.0172 -0.0131 276 ALA 47 HB2 -0.0108 -0.0186 -0.0114 277 ALA 47 HB3 -0.0063 -0.0187 -0.0116 278 CYS 48 N -0.0175 -0.0255 -0.0045 279 CYS 48 CA -0.0144 -0.0172 -0.0029 280 CYS 48 C -0.0151 -0.0082 -0.0060 281 CYS 48 O -0.0137 -0.0007 -0.0062 282 CYS 48 CB -0.0077 -0.0175 0.0055 283 CYS 48 SG -0.0070 -0.0264 0.0086 284 CYS 48 H -0.0161 -0.0272 -0.0024 285 CYS 48 HA -0.0168 -0.0172 -0.0058 286 CYS 48 HB2 -0.0047 -0.0189 0.0095 287 CYS 48 HB3 -0.0056 -0.0112 0.0064 288 ALA 49 N -0.0117 -0.0093 -0.0103 289 ALA 49 CA -0.0097 0.0006 -0.0257 290 ALA 49 C -0.0011 0.0172 -0.0081 291 ALA 49 O 0.0039 0.0331 -0.0182 292 ALA 49 CB -0.0072 0.0153 -0.0513 293 ALA 49 H -0.0187 -0.0277 -0.0086 294 ALA 49 HA -0.0168 -0.0157 -0.0312 295 ALA 49 HB1 -0.0002 0.0314 -0.0459 296 ALA 49 HB2 -0.0134 0.0032 -0.0632 297 ALA 49 HB3 -0.0062 0.0215 -0.0628 298 ARG 50 N -0.0105 0.0001 -0.0033 299 ARG 50 CA -0.0006 0.0131 0.0127 300 ARG 50 C 0.0151 0.0115 0.0274 301 ARG 50 O 0.0230 -0.0061 0.0271 302 ARG 50 CB 0.0047 0.0063 0.0147 303 ARG 50 CG -0.0104 0.0092 0.0011 304 ARG 50 CD -0.0041 0.0021 0.0040 305 ARG 50 NE -0.0185 0.0043 -0.0092 306 ARG 50 CZ -0.0165 -0.0025 -0.0105 307 ARG 50 NH1 -0.0009 -0.0110 0.0011 308 ARG 50 NH2 -0.0303 -0.0003 -0.0231 309 ARG 50 H -0.0062 -0.0160 -0.0066 310 ARG 50 HA -0.0085 0.0301 0.0128 311 ARG 50 HB2 0.0124 -0.0109 0.0143 312 ARG 50 HB3 0.0126 0.0161 0.0272 313 ARG 50 HG2 -0.0179 0.0263 0.0016 314 ARG 50 HG3 -0.0184 -0.0006 -0.0114 315 ARG 50 HD2 0.0037 -0.0150 0.0038 316 ARG 50 HD3 0.0037 0.0122 0.0165 317 ARG 50 HE -0.0301 0.0112 -0.0176 318 ARG 50 HH11 0.0099 -0.0127 0.0110 319 ARG 50 HH12 0.0012 -0.0160 0.0007 320 ARG 50 HH21 -0.0424 0.0063 -0.0321 321 ARG 50 HH22 -0.0291 -0.0056 -0.0244 322 TYR 51 N 0.0084 0.0078 0.0003 323 TYR 51 CA 0.0083 0.0037 0.0053 324 TYR 51 C 0.0091 0.0058 0.0146 325 TYR 51 O 0.0098 0.0134 0.0169 326 TYR 51 CB 0.0085 0.0073 0.0024 327 TYR 51 CG 0.0078 0.0062 -0.0071 328 TYR 51 CD1 0.0080 0.0125 -0.0130 329 TYR 51 CD2 0.0070 -0.0011 -0.0101 330 TYR 51 CE1 0.0074 0.0115 -0.0216 331 TYR 51 CE2 0.0064 -0.0020 -0.0188 332 TYR 51 CZ 0.0066 0.0043 -0.0245 333 TYR 51 OH 0.0060 0.0034 -0.0332 334 TYR 51 H 0.0088 0.0140 -0.0003 335 TYR 51 HA 0.0077 -0.0031 0.0042 336 TYR 51 HB2 0.0091 0.0141 0.0039 337 TYR 51 HB3 0.0084 0.0041 0.0061 338 TYR 51 HD1 0.0086 0.0182 -0.0107 339 TYR 51 HD2 0.0069 -0.0060 -0.0057 340 TYR 51 HE1 0.0075 0.0164 -0.0261 341 TYR 51 HE2 0.0058 -0.0077 -0.0211 342 TYR 51 HH 0.0063 0.0089 -0.0352 343 PHE 52 N 0.0093 -0.0073 0.0040 344 PHE 52 CA 0.0102 -0.0082 -0.0005 345 PHE 52 C 0.0097 -0.0061 -0.0064 346 PHE 52 O 0.0075 -0.0022 -0.0067 347 PHE 52 CB 0.0086 -0.0055 0.0009 348 PHE 52 CG 0.0090 -0.0074 0.0067 349 PHE 52 CD1 0.0074 -0.0054 0.0120 350 PHE 52 CD2 0.0111 -0.0112 0.0069 351 PHE 52 CE1 0.0078 -0.0071 0.0174 352 PHE 52 CE2 0.0115 -0.0129 0.0123 353 PHE 52 CZ 0.0099 -0.0108 0.0175 354 PHE 52 H 0.0071 -0.0037 0.0051 355 PHE 52 HA 0.0126 -0.0123 -0.0006 356 PHE 52 HB2 0.0062 -0.0014 0.0010 357 PHE 52 HB3 0.0094 -0.0062 -0.0026 358 PHE 52 HD1 0.0057 -0.0025 0.0119 359 PHE 52 HD2 0.0124 -0.0127 0.0029 360 PHE 52 HE1 0.0065 -0.0055 0.0215 361 PHE 52 HE2 0.0132 -0.0158 0.0124 362 PHE 52 HZ 0.0102 -0.0121 0.0218 363 ILE 53 N 0.0034 -0.0019 -0.0203 364 ILE 53 CA -0.0044 -0.0160 -0.0000 365 ILE 53 C 0.0092 -0.0223 0.0025 366 ILE 53 O 0.0137 -0.0376 0.0195 367 ILE 53 CB -0.0335 -0.0111 0.0050 368 ILE 53 CG1 -0.0422 0.0051 -0.0115 369 ILE 53 CG2 -0.0475 -0.0086 0.0073 370 ILE 53 CD1 -0.0705 0.0106 -0.0074 371 ILE 53 H -0.0099 0.0091 -0.0287 372 ILE 53 HA 0.0003 -0.0266 0.0111 373 ILE 53 HB -0.0375 -0.0218 0.0197 374 ILE 53 HG12 -0.0376 0.0159 -0.0265 375 ILE 53 HG13 -0.0320 0.0026 -0.0123 376 ILE 53 HG21 -0.0426 0.0015 -0.0069 377 ILE 53 HG22 -0.0420 -0.0205 0.0198 378 ILE 53 HG23 -0.0679 -0.0050 0.0107 379 ILE 53 HD11 -0.0755 0.0004 0.0071 380 ILE 53 HD12 -0.0750 0.0222 -0.0199 381 ILE 53 HD13 -0.0811 0.0132 -0.0065 382 ASP 54 N 0.0207 -0.0114 -0.0303 383 ASP 54 CA 0.0167 0.0010 -0.0361 384 ASP 54 C 0.0118 0.0056 -0.0251 385 ASP 54 O 0.0131 -0.0029 -0.0157 386 ASP 54 CB 0.0215 -0.0015 -0.0502 387 ASP 54 CG 0.0179 0.0111 -0.0575 388 ASP 54 OD1 0.0164 0.0193 -0.0655 389 ASP 54 OD2 0.0165 0.0131 -0.0555 390 ASP 54 H 0.0217 -0.0178 -0.0234 391 ASP 54 HA 0.0139 0.0088 -0.0385 392 ASP 54 HB2 0.0251 -0.0052 -0.0576 393 ASP 54 HB3 0.0242 -0.0091 -0.0477 394 SER 55 N 0.0102 -0.0028 -0.0144 395 SER 55 CA 0.0075 -0.0021 -0.0107 396 SER 55 C 0.0080 -0.0009 -0.0058 397 SER 55 O 0.0082 -0.0000 -0.0020 398 SER 55 CB 0.0020 -0.0027 -0.0123 399 SER 55 OG -0.0010 -0.0020 -0.0087 400 SER 55 H 0.0083 -0.0035 -0.0171 401 SER 55 HA 0.0091 -0.0020 -0.0105 402 SER 55 HB2 0.0019 -0.0034 -0.0156 403 SER 55 HB3 0.0003 -0.0029 -0.0131 404 SER 55 HG -0.0024 -0.0015 -0.0065 405 THR 56 N -0.0062 -0.0353 -0.0048 406 THR 56 CA -0.0119 -0.0173 0.0164 407 THR 56 C -0.0032 0.0186 0.0032 408 THR 56 O -0.0019 0.0299 0.0027 409 THR 56 CB -0.0240 -0.0135 0.0513 410 THR 56 OG1 -0.0313 -0.0468 0.0619 411 THR 56 CG2 -0.0309 0.0008 0.0750 412 THR 56 H -0.0102 -0.0408 0.0046 413 THR 56 HA -0.0136 -0.0323 0.0167 414 THR 56 HB -0.0217 0.0043 0.0503 415 THR 56 HG1 -0.0283 -0.0500 0.0525 416 THR 56 HG21 -0.0393 0.0035 0.0993 417 THR 56 HG22 -0.0328 -0.0166 0.0753 418 THR 56 HG23 -0.0254 0.0259 0.0672 419 ASN 57 N 0.0029 0.0086 -0.0186 420 ASN 57 CA 0.0034 -0.0009 -0.0133 421 ASN 57 C 0.0042 0.0019 -0.0019 422 ASN 57 O 0.0045 -0.0020 0.0016 423 ASN 57 CB 0.0036 -0.0105 -0.0128 424 ASN 57 CG 0.0030 -0.0173 -0.0233 425 ASN 57 OD1 0.0031 -0.0254 -0.0246 426 ASN 57 ND2 0.0024 -0.0142 -0.0309 427 ASN 57 H 0.0028 0.0084 -0.0196 428 ASN 57 HA 0.0031 -0.0035 -0.0182 429 ASN 57 HB2 0.0037 -0.0068 -0.0114 430 ASN 57 HB3 0.0042 -0.0157 -0.0058 431 ASN 57 HD21 0.0024 -0.0077 -0.0298 432 ASN 57 HD22 0.0020 -0.0186 -0.0377 433 LEU 58 N 0.0075 -0.0059 0.0027 434 LEU 58 CA 0.0080 -0.0041 0.0074 435 LEU 58 C 0.0078 -0.0007 0.0075 436 LEU 58 O 0.0083 -0.0012 0.0104 437 LEU 58 CB 0.0082 -0.0019 0.0095 438 LEU 58 CG 0.0087 0.0008 0.0143 439 LEU 58 CD1 0.0082 0.0059 0.0137 440 LEU 58 CD2 0.0094 -0.0019 0.0179 441 LEU 58 H 0.0072 -0.0049 0.0010 442 LEU 58 HA 0.0086 -0.0073 0.0095 443 LEU 58 HB2 0.0085 -0.0049 0.0099 444 LEU 58 HB3 0.0076 0.0005 0.0068 445 LEU 58 HG 0.0088 0.0012 0.0158 446 LEU 58 HD11 0.0086 0.0078 0.0171 447 LEU 58 HD12 0.0080 0.0059 0.0122 448 LEU 58 HD13 0.0077 0.0078 0.0113 449 LEU 58 HD21 0.0092 -0.0021 0.0167 450 LEU 58 HD22 0.0097 0.0001 0.0213 451 LEU 58 HD23 0.0097 -0.0055 0.0184 452 LYS 59 N 0.0098 0.0129 0.0030 453 LYS 59 CA 0.0138 0.0128 -0.0031 454 LYS 59 C 0.0089 0.0154 -0.0084 455 LYS 59 O 0.0105 0.0161 -0.0150 456 LYS 59 CB 0.0195 0.0103 -0.0004 457 LYS 59 CG 0.0166 0.0104 0.0042 458 LYS 59 CD 0.0226 0.0079 0.0072 459 LYS 59 CE 0.0272 0.0075 0.0011 460 LYS 59 NZ 0.0232 0.0096 -0.0029 461 LYS 59 H 0.0102 0.0118 0.0082 462 LYS 59 HA 0.0165 0.0125 -0.0063 463 LYS 59 HB2 0.0226 0.0102 -0.0050 464 LYS 59 HB3 0.0229 0.0085 0.0030 465 LYS 59 HG2 0.0133 0.0107 0.0087 466 LYS 59 HG3 0.0134 0.0121 0.0009 467 LYS 59 HD2 0.0260 0.0062 0.0101 468 LYS 59 HD3 0.0203 0.0079 0.0110 469 LYS 59 HE2 0.0293 0.0075 -0.0027 470 LYS 59 HE3 0.0315 0.0056 0.0036 471 LYS 59 HZ1 0.0214 0.0095 0.0006 472 LYS 59 HZ2 0.0265 0.0092 -0.0069 473 LYS 59 HZ3 0.0188 0.0115 -0.0054 474 THR 60 N 0.0010 0.0097 -0.0084 475 THR 60 CA -0.0049 0.0143 -0.0126 476 THR 60 C -0.0069 0.0176 -0.0188 477 THR 60 O -0.0089 0.0209 -0.0252 478 THR 60 CB -0.0121 0.0156 -0.0067 479 THR 60 OG1 -0.0100 0.0125 -0.0012 480 THR 60 CG2 -0.0184 0.0203 -0.0110 481 THR 60 H -0.0002 0.0082 -0.0025 482 THR 60 HA -0.0025 0.0143 -0.0158 483 THR 60 HB -0.0141 0.0154 -0.0036 484 THR 60 HG1 -0.0071 0.0097 0.0025 485 THR 60 HG21 -0.0234 0.0211 -0.0067 486 THR 60 HG22 -0.0162 0.0205 -0.0143 487 THR 60 HG23 -0.0200 0.0226 -0.0152 488 HIS 61 N 0.0014 -0.0067 -0.0011 489 HIS 61 CA -0.0013 -0.0102 0.0037 490 HIS 61 C 0.0002 -0.0073 0.0047 491 HIS 61 O -0.0019 -0.0107 0.0059 492 HIS 61 CB -0.0028 -0.0109 0.0113 493 HIS 61 CG -0.0046 -0.0124 0.0175 494 HIS 61 ND1 -0.0080 -0.0183 0.0181 495 HIS 61 CD2 -0.0031 -0.0085 0.0232 496 HIS 61 CE1 -0.0086 -0.0178 0.0238 497 HIS 61 NE2 -0.0057 -0.0120 0.0269 498 HIS 61 H 0.0023 -0.0045 0.0010 499 HIS 61 HA -0.0037 -0.0150 0.0010 500 HIS 61 HB2 -0.0050 -0.0148 0.0106 501 HIS 61 HB3 -0.0005 -0.0065 0.0129 502 HIS 61 HD1 -0.0098 -0.0222 0.0147 503 HIS 61 HD2 -0.0004 -0.0035 0.0245 504 HIS 61 HE1 -0.0108 -0.0210 0.0261 505 PHE 62 N -0.0030 0.0025 -0.0001 506 PHE 62 CA -0.0003 0.0061 0.0002 507 PHE 62 C -0.0009 0.0077 -0.0057 508 PHE 62 O 0.0012 0.0109 -0.0065 509 PHE 62 CB 0.0037 0.0107 0.0027 510 PHE 62 CG 0.0045 0.0096 0.0083 511 PHE 62 CD1 0.0038 0.0066 0.0132 512 PHE 62 CD2 0.0061 0.0116 0.0086 513 PHE 62 CE1 0.0046 0.0057 0.0183 514 PHE 62 CE2 0.0069 0.0107 0.0137 515 PHE 62 CZ 0.0061 0.0077 0.0186 516 PHE 62 H -0.0024 0.0036 -0.0007 517 PHE 62 HA -0.0009 0.0042 0.0031 518 PHE 62 HB2 0.0046 0.0132 -0.0005 519 PHE 62 HB3 0.0052 0.0124 0.0037 520 PHE 62 HD1 0.0026 0.0050 0.0130 521 PHE 62 HD2 0.0067 0.0140 0.0048 522 PHE 62 HE1 0.0040 0.0033 0.0221 523 PHE 62 HE2 0.0081 0.0123 0.0138 524 PHE 62 HZ 0.0067 0.0070 0.0225 525 ARG 63 N 0.0035 0.0121 -0.0408 526 ARG 63 CA 0.0024 0.0144 -0.0208 527 ARG 63 C 0.0146 0.0212 -0.0116 528 ARG 63 O 0.0161 0.0242 0.0052 529 ARG 63 CB 0.0046 0.0163 -0.0152 530 ARG 63 CG -0.0096 0.0091 -0.0209 531 ARG 63 CD -0.0068 0.0111 -0.0152 532 ARG 63 NE -0.0052 0.0146 0.0046 533 ARG 63 CZ -0.0053 0.0158 0.0138 534 ARG 63 NH1 -0.0080 0.0134 0.0050 535 ARG 63 NH2 -0.0031 0.0193 0.0316 536 ARG 63 H 0.0092 0.0136 -0.0487 537 ARG 63 HA -0.0103 0.0094 -0.0164 538 ARG 63 HB2 0.0165 0.0207 -0.0214 539 ARG 63 HB3 0.0051 0.0185 -0.0004 540 ARG 63 HG2 -0.0213 0.0047 -0.0143 541 ARG 63 HG3 -0.0103 0.0067 -0.0357 542 ARG 63 HD2 -0.0174 0.0058 -0.0192 543 ARG 63 HD3 0.0047 0.0153 -0.0223 544 ARG 63 HE -0.0036 0.0163 0.0114 545 ARG 63 HH11 -0.0100 0.0106 -0.0084 546 ARG 63 HH12 -0.0081 0.0143 0.0116 547 ARG 63 HH21 -0.0013 0.0211 0.0385 548 ARG 63 HH22 -0.0030 0.0204 0.0392 549 SER 64 N -0.0119 -0.0078 -0.0098 550 SER 64 CA -0.0176 -0.0166 -0.0066 551 SER 64 C -0.0154 -0.0097 -0.0024 552 SER 64 O -0.0156 -0.0030 0.0085 553 SER 64 CB -0.0245 -0.0225 0.0049 554 SER 64 OG -0.0259 -0.0265 0.0028 555 SER 64 H -0.0123 -0.0042 -0.0031 556 SER 64 HA -0.0183 -0.0236 -0.0150 557 SER 64 HB2 -0.0241 -0.0159 0.0137 558 SER 64 HB3 -0.0290 -0.0303 0.0061 559 SER 64 HG -0.0274 -0.0337 -0.0039 560 LYS 65 N -0.0190 -0.0003 0.0321 561 LYS 65 CA -0.0257 -0.0198 0.0235 562 LYS 65 C -0.0358 -0.0172 0.0032 563 LYS 65 O -0.0429 -0.0301 -0.0079 564 LYS 65 CB -0.0213 -0.0342 0.0354 565 LYS 65 CG -0.0170 -0.0246 0.0418 566 LYS 65 CD -0.0243 -0.0181 0.0259 567 LYS 65 CE -0.0196 -0.0088 0.0330 568 LYS 65 NZ -0.0265 -0.0013 0.0178 569 LYS 65 H -0.0130 0.0036 0.0430 570 LYS 65 HA -0.0268 -0.0275 0.0233 571 LYS 65 HB2 -0.0270 -0.0471 0.0274 572 LYS 65 HB3 -0.0158 -0.0401 0.0476 573 LYS 65 HG2 -0.0137 -0.0358 0.0508 574 LYS 65 HG3 -0.0115 -0.0112 0.0495 575 LYS 65 HD2 -0.0277 -0.0069 0.0167 576 LYS 65 HD3 -0.0297 -0.0317 0.0185 577 LYS 65 HE2 -0.0167 -0.0205 0.0414 578 LYS 65 HE3 -0.0138 0.0039 0.0414 579 LYS 65 HZ1 -0.0322 -0.0131 0.0093 580 LYS 65 HZ2 -0.0292 0.0104 0.0096 581 LYS 65 HZ3 -0.0230 0.0046 0.0231 582 ASP 66 N -0.0282 -0.0155 -0.0204 583 ASP 66 CA -0.0277 -0.0161 -0.0181 584 ASP 66 C -0.0208 -0.0197 -0.0005 585 ASP 66 O -0.0130 -0.0184 0.0026 586 ASP 66 CB -0.0449 -0.0199 -0.0220 587 ASP 66 CG -0.0449 -0.0196 -0.0229 588 ASP 66 OD1 -0.0431 -0.0147 -0.0365 589 ASP 66 OD2 -0.0468 -0.0242 -0.0104 590 ASP 66 H -0.0391 -0.0183 -0.0215 591 ASP 66 HA -0.0194 -0.0109 -0.0267 592 ASP 66 HB2 -0.0503 -0.0177 -0.0335 593 ASP 66 HB3 -0.0525 -0.0252 -0.0123 594 HIS 67 N -0.0136 -0.0099 0.0033 595 HIS 67 CA -0.0120 -0.0110 0.0085 596 HIS 67 C -0.0062 -0.0104 0.0090 597 HIS 67 O -0.0041 -0.0106 0.0107 598 HIS 67 CB -0.0138 -0.0122 0.0123 599 HIS 67 CG -0.0129 -0.0134 0.0177 600 HIS 67 ND1 -0.0130 -0.0139 0.0195 601 HIS 67 CD2 -0.0135 -0.0145 0.0216 602 HIS 67 CE1 -0.0138 -0.0152 0.0243 603 HIS 67 NE2 -0.0142 -0.0156 0.0257 604 HIS 67 H -0.0154 -0.0099 0.0027 605 HIS 67 HA -0.0135 -0.0114 0.0094 606 HIS 67 HB2 -0.0181 -0.0127 0.0124 607 HIS 67 HB3 -0.0122 -0.0118 0.0118 608 HIS 67 HD1 -0.0126 -0.0133 0.0175 609 HIS 67 HD2 -0.0126 -0.0143 0.0211 610 HIS 67 HE1 -0.0141 -0.0159 0.0268 611 LYS 68 N 0.0010 -0.0007 0.0102 612 LYS 68 CA 0.0043 0.0024 0.0111 613 LYS 68 C 0.0073 0.0059 0.0113 614 LYS 68 O 0.0108 0.0078 0.0135 615 LYS 68 CB 0.0029 0.0043 0.0078 616 LYS 68 CG -0.0004 0.0007 0.0074 617 LYS 68 CD -0.0018 0.0028 0.0040 618 LYS 68 CE -0.0037 0.0052 -0.0002 619 LYS 68 NZ -0.0053 0.0070 -0.0036 620 LYS 68 H -0.0015 -0.0008 0.0075 621 LYS 68 HA 0.0057 0.0007 0.0141 622 LYS 68 HB2 0.0017 0.0061 0.0049 623 LYS 68 HB3 0.0053 0.0064 0.0086 624 LYS 68 HG2 0.0004 -0.0016 0.0103 625 LYS 68 HG3 -0.0028 -0.0015 0.0066 626 LYS 68 HD2 0.0006 0.0050 0.0047 627 LYS 68 HD3 -0.0040 0.0002 0.0038 628 LYS 68 HE2 -0.0060 0.0030 -0.0008 629 LYS 68 HE3 -0.0015 0.0079 -0.0002 630 LYS 68 HZ1 -0.0032 0.0092 -0.0032 631 LYS 68 HZ2 -0.0067 0.0086 -0.0065 632 LYS 68 HZ3 -0.0075 0.0044 -0.0037 633 LYS 69 N 0.0025 -0.0127 0.0093 634 LYS 69 CA 0.0076 -0.0069 0.0108 635 LYS 69 C 0.0154 -0.0098 0.0111 636 LYS 69 O 0.0199 -0.0078 0.0119 637 LYS 69 CB 0.0062 -0.0020 0.0115 638 LYS 69 CG 0.0119 0.0034 0.0129 639 LYS 69 CD 0.0096 0.0069 0.0133 640 LYS 69 CE 0.0149 0.0122 0.0147 641 LYS 69 NZ 0.0122 0.0150 0.0149 642 LYS 69 H -0.0010 -0.0125 0.0090 643 LYS 69 HA 0.0066 -0.0039 0.0112 644 LYS 69 HB2 0.0012 0.0010 0.0115 645 LYS 69 HB3 0.0053 -0.0054 0.0108 646 LYS 69 HG2 0.0169 0.0002 0.0129 647 LYS 69 HG3 0.0124 0.0073 0.0136 648 LYS 69 HD2 0.0046 0.0098 0.0133 649 LYS 69 HD3 0.0087 0.0027 0.0125 650 LYS 69 HE2 0.0201 0.0095 0.0148 651 LYS 69 HE3 0.0155 0.0167 0.0155 652 LYS 69 HZ1 0.0157 0.0185 0.0159 653 LYS 69 HZ2 0.0114 0.0106 0.0141 654 LYS 69 HZ3 0.0071 0.0175 0.0148 655 ARG 70 N 0.0294 -0.0118 0.0025 656 ARG 70 CA 0.0194 -0.0085 0.0054 657 ARG 70 C 0.0194 -0.0005 0.0089 658 ARG 70 O 0.0120 0.0007 0.0104 659 ARG 70 CB 0.0157 -0.0052 0.0073 660 ARG 70 CG 0.0048 -0.0025 0.0101 661 ARG 70 CD -0.0023 -0.0106 0.0075 662 ARG 70 NE -0.0128 -0.0081 0.0100 663 ARG 70 CZ -0.0196 -0.0120 0.0093 664 ARG 70 NH1 -0.0171 -0.0186 0.0060 665 ARG 70 NH2 -0.0290 -0.0093 0.0118 666 ARG 70 H 0.0332 -0.0106 0.0025 667 ARG 70 HA 0.0145 -0.0142 0.0035 668 ARG 70 HB2 0.0168 -0.0105 0.0049 669 ARG 70 HB3 0.0204 0.0009 0.0094 670 ARG 70 HG2 0.0027 -0.0004 0.0112 671 ARG 70 HG3 0.0040 0.0033 0.0127 672 ARG 70 HD2 -0.0001 -0.0128 0.0062 673 ARG 70 HD3 -0.0017 -0.0163 0.0049 674 ARG 70 HE -0.0147 -0.0033 0.0124 675 ARG 70 HH11 -0.0101 -0.0210 0.0040 676 ARG 70 HH12 -0.0221 -0.0215 0.0054 677 ARG 70 HH21 -0.0311 -0.0044 0.0142 678 ARG 70 HH22 -0.0345 -0.0119 0.0114 679 LEU 71 N 0.0153 0.0082 0.0041 680 LEU 71 CA 0.0156 0.0075 0.0043 681 LEU 71 C 0.0165 0.0095 0.0048 682 LEU 71 O 0.0178 0.0092 0.0055 683 LEU 71 CB 0.0136 0.0066 0.0032 684 LEU 71 CG 0.0126 0.0046 0.0025 685 LEU 71 CD1 0.0106 0.0038 0.0015 686 LEU 71 CD2 0.0140 0.0025 0.0032 687 LEU 71 H 0.0139 0.0083 0.0033 688 LEU 71 HA 0.0168 0.0060 0.0048 689 LEU 71 HB2 0.0126 0.0081 0.0026 690 LEU 71 HB3 0.0140 0.0062 0.0033 691 LEU 71 HG 0.0121 0.0051 0.0023 692 LEU 71 HD11 0.0111 0.0033 0.0017 693 LEU 71 HD12 0.0096 0.0053 0.0009 694 LEU 71 HD13 0.0099 0.0024 0.0010 695 LEU 71 HD21 0.0153 0.0030 0.0040 696 LEU 71 HD22 0.0146 0.0019 0.0035 697 LEU 71 HD23 0.0132 0.0011 0.0028 698 LYS 72 N 0.0244 0.0026 0.0063 699 LYS 72 CA 0.0225 0.0023 0.0075 700 LYS 72 C 0.0235 0.0026 0.0075 701 LYS 72 O 0.0221 0.0020 0.0070 702 LYS 72 CB 0.0218 0.0027 0.0103 703 LYS 72 CG 0.0197 0.0024 0.0118 704 LYS 72 CD 0.0190 0.0027 0.0145 705 LYS 72 CE 0.0170 0.0024 0.0159 706 LYS 72 NZ 0.0162 0.0027 0.0185 707 LYS 72 H 0.0251 0.0030 0.0073 708 LYS 72 HA 0.0208 0.0015 0.0064 709 LYS 72 HB2 0.0211 0.0025 0.0103 710 LYS 72 HB3 0.0235 0.0034 0.0114 711 LYS 72 HG2 0.0204 0.0026 0.0120 712 LYS 72 HG3 0.0180 0.0016 0.0107 713 LYS 72 HD2 0.0183 0.0025 0.0142 714 LYS 72 HD3 0.0207 0.0035 0.0156 715 LYS 72 HE2 0.0177 0.0027 0.0162 716 LYS 72 HE3 0.0153 0.0017 0.0147 717 LYS 72 HZ1 0.0177 0.0035 0.0197 718 LYS 72 HZ2 0.0154 0.0025 0.0183 719 LYS 72 HZ3 0.0148 0.0025 0.0195 720 GLN 73 N 0.0325 -0.0001 0.0040 721 GLN 73 CA 0.0238 -0.0017 -0.0004 722 GLN 73 C 0.0196 0.0036 0.0072 723 GLN 73 O 0.0179 0.0026 0.0052 724 GLN 73 CB 0.0136 -0.0032 -0.0051 725 GLN 73 CG 0.0167 -0.0087 -0.0132 726 GLN 73 CD 0.0066 -0.0099 -0.0174 727 GLN 73 OE1 -0.0013 -0.0057 -0.0122 728 GLN 73 NE2 0.0066 -0.0157 -0.0266 729 GLN 73 H 0.0308 0.0006 0.0047 730 GLN 73 HA 0.0276 -0.0057 -0.0061 731 GLN 73 HB2 0.0100 0.0007 0.0006 732 GLN 73 HB3 0.0073 -0.0043 -0.0081 733 GLN 73 HG2 0.0199 -0.0128 -0.0191 734 GLN 73 HG3 0.0233 -0.0078 -0.0104 735 GLN 73 HE21 0.0130 -0.0188 -0.0303 736 GLN 73 HE22 0.0002 -0.0167 -0.0297 737 LEU 74 N 0.0026 -0.0048 -0.0078 738 LEU 74 CA -0.0059 0.0075 -0.0068 739 LEU 74 C -0.0053 0.0141 -0.0059 740 LEU 74 O -0.0138 0.0229 -0.0053 741 LEU 74 CB -0.0016 0.0176 -0.0052 742 LEU 74 CG -0.0105 0.0306 -0.0041 743 LEU 74 CD1 -0.0254 0.0270 -0.0055 744 LEU 74 CD2 -0.0047 0.0396 -0.0026 745 LEU 74 H 0.0117 -0.0043 -0.0072 746 LEU 74 HA -0.0163 0.0045 -0.0078 747 LEU 74 HB2 -0.0010 0.0123 -0.0059 748 LEU 74 HB3 0.0086 0.0205 -0.0042 749 LEU 74 HG -0.0104 0.0364 -0.0034 750 LEU 74 HD11 -0.0313 0.0363 -0.0046 751 LEU 74 HD12 -0.0258 0.0210 -0.0063 752 LEU 74 HD13 -0.0296 0.0212 -0.0065 753 LEU 74 HD21 -0.0047 0.0340 -0.0033 754 LEU 74 HD22 -0.0110 0.0487 -0.0018 755 LEU 74 HD23 0.0057 0.0424 -0.0016 756 SER 75 N 0.0223 0.0205 -0.0133 757 SER 75 CA 0.0184 0.0095 -0.0146 758 SER 75 C 0.0202 0.0136 -0.0131 759 SER 75 O 0.0168 0.0073 -0.0171 760 SER 75 CB 0.0122 0.0033 -0.0274 761 SER 75 OG 0.0083 -0.0077 -0.0285 762 SER 75 H 0.0250 0.0207 -0.0053 763 SER 75 HA 0.0187 0.0026 -0.0066 764 SER 75 HB2 0.0112 0.0005 -0.0278 765 SER 75 HB3 0.0120 0.0103 -0.0354 766 SER 75 HG 0.0052 -0.0143 -0.0315 767 VAL 76 N 0.0096 0.0193 -0.0064 768 VAL 76 CA 0.0100 0.0198 -0.0081 769 VAL 76 C 0.0085 0.0193 -0.0080 770 VAL 76 O 0.0072 0.0192 -0.0096 771 VAL 76 CB 0.0124 0.0205 -0.0079 772 VAL 76 CG1 0.0128 0.0209 -0.0097 773 VAL 76 CG2 0.0140 0.0210 -0.0081 774 VAL 76 H 0.0108 0.0194 -0.0052 775 VAL 76 HA 0.0098 0.0200 -0.0097 776 VAL 76 HB 0.0127 0.0202 -0.0063 777 VAL 76 HG11 0.0145 0.0214 -0.0095 778 VAL 76 HG12 0.0125 0.0211 -0.0113 779 VAL 76 HG13 0.0117 0.0206 -0.0095 780 VAL 76 HG21 0.0157 0.0214 -0.0079 781 VAL 76 HG22 0.0138 0.0206 -0.0068 782 VAL 76 HG23 0.0138 0.0212 -0.0097 783 GLU 77 N 0.0026 0.0131 -0.0177 784 GLU 77 CA -0.0020 0.0103 -0.0152 785 GLU 77 C -0.0041 0.0091 -0.0083 786 GLU 77 O -0.0016 0.0109 -0.0031 787 GLU 77 CB -0.0005 0.0112 -0.0150 788 GLU 77 CG 0.0049 0.0148 -0.0114 789 GLU 77 CD 0.0060 0.0155 -0.0111 790 GLU 77 OE1 0.0076 0.0164 -0.0162 791 GLU 77 OE2 0.0052 0.0151 -0.0056 792 GLU 77 H 0.0054 0.0150 -0.0144 793 GLU 77 HA -0.0054 0.0080 -0.0187 794 GLU 77 HB2 -0.0039 0.0091 -0.0123 795 GLU 77 HB3 -0.0003 0.0112 -0.0201 796 GLU 77 HG2 0.0085 0.0170 -0.0141 797 GLU 77 HG3 0.0047 0.0148 -0.0063 798 PRO 78 N -0.0071 0.0022 -0.0164 799 PRO 78 CA -0.0119 -0.0068 -0.0023 800 PRO 78 C -0.0090 -0.0066 -0.0024 801 PRO 78 O -0.0155 -0.0009 -0.0122 802 PRO 78 CB -0.0311 -0.0083 -0.0016 803 PRO 78 CG -0.0343 -0.0015 -0.0128 804 PRO 78 CD -0.0218 0.0064 -0.0245 805 PRO 78 HA -0.0048 -0.0119 0.0066 806 PRO 78 HB2 -0.0384 -0.0072 -0.0039 807 PRO 78 HB3 -0.0340 -0.0151 0.0091 808 PRO 78 HG2 -0.0472 0.0005 -0.0171 809 PRO 78 HG3 -0.0322 -0.0043 -0.0081 810 PRO 78 HD2 -0.0268 0.0110 -0.0323 811 PRO 78 HD3 -0.0183 0.0099 -0.0298 812 TYR 79 N 0.0132 0.0072 -0.0250 813 TYR 79 CA -0.0275 0.0003 0.0036 814 TYR 79 C -0.0496 -0.0169 0.0193 815 TYR 79 O -0.0517 -0.0596 0.0215 816 TYR 79 CB -0.0333 -0.0313 0.0082 817 TYR 79 CG -0.0165 -0.0108 -0.0039 818 TYR 79 CD1 0.0213 -0.0200 -0.0302 819 TYR 79 CD2 -0.0386 0.0183 0.0111 820 TYR 79 CE1 0.0368 -0.0009 -0.0413 821 TYR 79 CE2 -0.0234 0.0375 0.0001 822 TYR 79 CZ 0.0144 0.0279 -0.0261 823 TYR 79 OH 0.0299 0.0475 -0.0373 824 TYR 79 H 0.0227 0.0396 -0.0321 825 TYR 79 HA -0.0387 0.0352 0.0109 826 TYR 79 HB2 -0.0198 -0.0653 -0.0007 827 TYR 79 HB3 -0.0640 -0.0359 0.0296 828 TYR 79 HD1 0.0388 -0.0427 -0.0421 829 TYR 79 HD2 -0.0682 0.0258 0.0316 830 TYR 79 HE1 0.0664 -0.0088 -0.0619 831 TYR 79 HE2 -0.0411 0.0601 0.0121 832 TYR 79 HH 0.0226 0.0804 -0.0327 833 SER 80 N -0.0058 0.0017 0.0004 834 SER 80 CA -0.0019 0.0046 -0.0014 835 SER 80 C 0.0005 0.0041 0.0014 836 SER 80 O -0.0014 0.0015 0.0042 837 SER 80 CB 0.0015 0.0062 -0.0013 838 SER 80 OG 0.0052 0.0093 -0.0034 839 SER 80 H -0.0050 0.0004 0.0031 840 SER 80 HA -0.0032 0.0060 -0.0048 841 SER 80 HB2 -0.0005 0.0063 -0.0031 842 SER 80 HB3 0.0029 0.0048 0.0021 843 SER 80 HG 0.0038 0.0105 -0.0066 844 GLN 81 N 0.0003 0.0147 -0.0068 845 GLN 81 CA 0.0094 0.0143 -0.0057 846 GLN 81 C 0.0129 0.0055 -0.0019 847 GLN 81 O 0.0100 0.0014 -0.0005 848 GLN 81 CB 0.0156 0.0209 -0.0078 849 GLN 81 CG 0.0249 0.0216 -0.0071 850 GLN 81 CD 0.0315 0.0275 -0.0088 851 GLN 81 OE1 0.0311 0.0287 -0.0093 852 GLN 81 NE2 0.0375 0.0313 -0.0098 853 GLN 81 H -0.0012 0.0179 -0.0082 854 GLN 81 HA 0.0094 0.0154 -0.0062 855 GLN 81 HB2 0.0126 0.0270 -0.0105 856 GLN 81 HB3 0.0164 0.0193 -0.0070 857 GLN 81 HG2 0.0277 0.0154 -0.0044 858 GLN 81 HG3 0.0242 0.0237 -0.0080 859 GLN 81 HE21 0.0374 0.0301 -0.0093 860 GLN 81 HE22 0.0420 0.0352 -0.0108 861 GLU 82 N 0.0110 0.0045 0.0002 862 GLU 82 CA 0.0118 0.0027 0.0006 863 GLU 82 C 0.0106 0.0014 0.0009 864 GLU 82 O 0.0110 -0.0001 0.0013 865 GLU 82 CB 0.0121 0.0021 0.0008 866 GLU 82 CG 0.0130 0.0003 0.0012 867 GLU 82 CD 0.0133 -0.0002 0.0013 868 GLU 82 OE1 0.0120 -0.0007 0.0014 869 GLU 82 OE2 0.0149 -0.0001 0.0013 870 GLU 82 H 0.0115 0.0053 0.0000 871 GLU 82 HA 0.0130 0.0028 0.0006 872 GLU 82 HB2 0.0130 0.0030 0.0006 873 GLU 82 HB3 0.0108 0.0020 0.0008 874 GLU 82 HG2 0.0121 -0.0007 0.0014 875 GLU 82 HG3 0.0142 0.0003 0.0012 876 GLU 83 N -0.0016 -0.0016 0.0014 877 GLU 83 CA -0.0074 -0.0031 0.0045 878 GLU 83 C -0.0125 -0.0010 0.0014 879 GLU 83 O -0.0151 -0.0020 0.0032 880 GLU 83 CB -0.0092 -0.0039 0.0060 881 GLU 83 CG -0.0154 -0.0055 0.0092 882 GLU 83 CD -0.0165 -0.0065 0.0111 883 GLU 83 OE1 -0.0184 -0.0045 0.0078 884 GLU 83 OE2 -0.0156 -0.0094 0.0159 885 GLU 83 H -0.0015 0.0007 -0.0023 886 GLU 83 HA -0.0066 -0.0053 0.0082 887 GLU 83 HB2 -0.0055 -0.0054 0.0083 888 GLU 83 HB3 -0.0097 -0.0017 0.0023 889 GLU 83 HG2 -0.0192 -0.0038 0.0067 890 GLU 83 HG3 -0.0152 -0.0076 0.0128 891 ALA 84 N -0.0094 -0.0144 0.0039 892 ALA 84 CA -0.0078 -0.0173 0.0052 893 ALA 84 C -0.0036 -0.0127 0.0121 894 ALA 84 O -0.0027 -0.0121 0.0135 895 ALA 84 CB -0.0127 -0.0158 -0.0007 896 ALA 84 H -0.0122 -0.0090 0.0020 897 ALA 84 HA -0.0059 -0.0240 0.0056 898 ALA 84 HB1 -0.0114 -0.0178 0.0003 899 ALA 84 HB2 -0.0147 -0.0091 -0.0013 900 ALA 84 HB3 -0.0154 -0.0196 -0.0054 901 GLU 85 N 0.0302 -0.0272 -0.0001 902 GLU 85 CA 0.0055 -0.0371 0.0196 903 GLU 85 C -0.0174 -0.0092 0.0201 904 GLU 85 O -0.0233 0.0067 0.0161 905 GLU 85 CB 0.0059 -0.0526 0.0268 906 GLU 85 CG -0.0167 -0.0693 0.0484 907 GLU 85 CD -0.0457 -0.0506 0.0570 908 GLU 85 OE1 -0.0533 -0.0423 0.0577 909 GLU 85 OE2 -0.0614 -0.0438 0.0633 910 GLU 85 H 0.0279 -0.0060 -0.0088 911 GLU 85 HA 0.0035 -0.0518 0.0278 912 GLU 85 HB2 0.0258 -0.0678 0.0220 913 GLU 85 HB3 0.0037 -0.0361 0.0203 914 GLU 85 HG2 -0.0161 -0.0789 0.0527 915 GLU 85 HG3 -0.0106 -0.0858 0.0526 916 ARG 86 N 0.0013 -0.0026 -0.0362 917 ARG 86 CA -0.0050 0.0100 -0.0325 918 ARG 86 C -0.0167 0.0084 -0.0228 919 ARG 86 O -0.0201 -0.0017 -0.0189 920 ARG 86 CB -0.0007 0.0184 -0.0369 921 ARG 86 CG 0.0021 0.0106 -0.0383 922 ARG 86 CD -0.0072 0.0047 -0.0301 923 ARG 86 NE -0.0038 -0.0035 -0.0319 924 ARG 86 CZ -0.0096 -0.0120 -0.0262 925 ARG 86 NH1 -0.0196 -0.0132 -0.0179 926 ARG 86 NH2 -0.0054 -0.0194 -0.0288 927 ARG 86 H 0.0008 -0.0098 -0.0349 928 ARG 86 HA -0.0040 0.0156 -0.0340 929 ARG 86 HB2 -0.0067 0.0263 -0.0331 930 ARG 86 HB3 0.0062 0.0230 -0.0431 931 ARG 86 HG2 0.0055 0.0174 -0.0419 932 ARG 86 HG3 0.0080 0.0025 -0.0421 933 ARG 86 HD2 -0.0112 -0.0013 -0.0261 934 ARG 86 HD3 -0.0126 0.0129 -0.0267 935 ARG 86 HE 0.0036 -0.0026 -0.0380 936 ARG 86 HH11 -0.0233 -0.0079 -0.0156 937 ARG 86 HH12 -0.0241 -0.0195 -0.0135 938 ARG 86 HH21 0.0022 -0.0188 -0.0349 939 ARG 86 HH22 -0.0094 -0.0260 -0.0247 940 ALA 87 N 0.0443 -0.0114 -0.0230 941 ALA 87 CA 0.0260 -0.0098 -0.0025 942 ALA 87 C 0.0221 0.0035 -0.0059 943 ALA 87 O 0.0062 0.0182 0.0039 944 ALA 87 CB 0.0112 0.0047 0.0062 945 ALA 87 H 0.0450 0.0037 -0.0330 946 ALA 87 HA 0.0263 -0.0283 0.0084 947 ALA 87 HB1 0.0112 0.0230 -0.0050 948 ALA 87 HB2 0.0142 -0.0049 0.0084 949 ALA 87 HB3 -0.0025 0.0065 0.0212 950 ALA 88 N 0.0136 0.0185 0.0638 951 ALA 88 CA 0.0093 0.0203 0.0790 952 ALA 88 C 0.0033 -0.0526 0.0913 953 ALA 88 O 0.0150 -0.0889 0.0459 954 ALA 88 CB 0.0265 0.0549 0.0235 955 ALA 88 H 0.0219 -0.0159 0.0310 956 ALA 88 HA -0.0027 0.0505 0.1246 957 ALA 88 HB1 0.0385 0.0248 -0.0222 958 ALA 88 HB2 0.0305 0.1070 0.0158 959 ALA 88 HB3 0.0224 0.0568 0.0378 960 GLY 89 N 0.0027 0.0258 -0.0287 961 GLY 89 CA 0.0071 0.0293 -0.0301 962 GLY 89 C 0.0205 0.0300 -0.0348 963 GLY 89 O 0.0263 0.0207 -0.0371 964 GLY 89 H 0.0077 0.0266 -0.0304 965 GLY 89 HA2 0.0041 0.0224 -0.0293 966 GLY 89 HA3 0.0036 0.0384 -0.0286 967 MET 90 N 0.0075 0.0036 0.0145 968 MET 90 CA 0.0042 0.0037 0.0090 969 MET 90 C 0.0018 0.0088 0.0084 970 MET 90 O 0.0019 0.0087 0.0084 971 MET 90 CB 0.0047 -0.0019 0.0059 972 MET 90 CG 0.0015 -0.0027 -0.0001 973 MET 90 SD -0.0021 0.0024 -0.0029 974 MET 90 CE -0.0050 -0.0004 -0.0097 975 MET 90 H 0.0081 0.0039 0.0158 976 MET 90 HA 0.0031 0.0043 0.0074 977 MET 90 HB2 0.0067 -0.0053 0.0070 978 MET 90 HB3 0.0055 -0.0021 0.0072 979 MET 90 HG2 0.0007 -0.0024 -0.0014 980 MET 90 HG3 0.0023 -0.0068 -0.0017 981 MET 90 HE1 -0.0056 -0.0004 -0.0108 982 MET 90 HE2 -0.0073 0.0023 -0.0119 983 MET 90 HE3 -0.0038 -0.0046 -0.0106 984 GLY 91 N -0.0158 0.0159 -0.0143 985 GLY 91 CA -0.0069 -0.0102 -0.0060 986 GLY 91 C 0.0050 -0.0264 0.0257 987 GLY 91 O 0.0125 -0.0562 0.0245 988 GLY 91 H -0.0151 0.0096 -0.0185 989 GLY 91 HA2 -0.0089 0.0011 -0.0018 990 GLY 91 HA3 -0.0068 -0.0295 -0.0270 991 SER 92 N 0.0109 0.0061 0.0020 992 SER 92 CA -0.0049 -0.0007 -0.0011 993 SER 92 C -0.0145 0.0074 0.0093 994 SER 92 O -0.0083 0.0121 0.0126 995 SER 92 CB -0.0014 -0.0120 -0.0134 996 SER 92 OG 0.0077 -0.0194 -0.0230 997 SER 92 H 0.0197 0.0093 0.0031 998 SER 92 HA -0.0125 -0.0039 -0.0025 999 SER 92 HB2 0.0062 -0.0090 -0.0121 1000 SER 92 HB3 -0.0134 -0.0175 -0.0161 1001 SER 92 HG 0.0114 -0.0144 -0.0188 1002 TYR 93 N 0.0037 -0.0106 -0.0019 1003 TYR 93 CA -0.0004 -0.0079 -0.0022 1004 TYR 93 C -0.0050 -0.0098 -0.0045 1005 TYR 93 O -0.0047 -0.0122 -0.0054 1006 TYR 93 CB -0.0005 -0.0026 0.0001 1007 TYR 93 CG -0.0042 0.0008 0.0002 1008 TYR 93 CD1 -0.0030 0.0027 0.0014 1009 TYR 93 CD2 -0.0088 0.0022 -0.0008 1010 TYR 93 CE1 -0.0063 0.0058 0.0016 1011 TYR 93 CE2 -0.0121 0.0052 -0.0006 1012 TYR 93 CZ -0.0108 0.0070 0.0006 1013 TYR 93 OH -0.0142 0.0101 0.0008 1014 TYR 93 H 0.0040 -0.0102 -0.0016 1015 TYR 93 HA -0.0001 -0.0083 -0.0022 1016 TYR 93 HB2 0.0031 -0.0015 0.0017 1017 TYR 93 HB3 -0.0012 -0.0021 -0.0000 1018 TYR 93 HD1 0.0007 0.0017 0.0022 1019 TYR 93 HD2 -0.0098 0.0007 -0.0017 1020 TYR 93 HE1 -0.0052 0.0072 0.0026 1021 TYR 93 HE2 -0.0158 0.0062 -0.0014 1022 TYR 93 HH -0.0172 0.0086 -0.0008 1023 VAL 94 N 0.0171 0.0042 0.0003 1024 VAL 94 CA 0.0134 0.0020 0.0000 1025 VAL 94 C 0.0127 0.0021 0.0001 1026 VAL 94 O 0.0118 0.0054 0.0009 1027 VAL 94 CB 0.0094 0.0032 0.0006 1028 VAL 94 CG1 0.0085 0.0077 0.0016 1029 VAL 94 CG2 0.0057 0.0007 0.0002 1030 VAL 94 H 0.0168 0.0065 0.0008 1031 VAL 94 HA 0.0140 -0.0012 -0.0007 1032 VAL 94 HB 0.0100 0.0027 0.0004 1033 VAL 94 HG11 0.0058 0.0084 0.0020 1034 VAL 94 HG12 0.0080 0.0084 0.0018 1035 VAL 94 HG13 0.0111 0.0095 0.0019 1036 VAL 94 HG21 0.0051 0.0011 0.0004 1037 VAL 94 HG22 0.0030 0.0016 0.0006 1038 VAL 94 HG23 0.0063 -0.0025 -0.0005