1 ASP 28 N 0.0329 0.0102 -0.0149 2 ASP 28 CA 0.0172 0.0079 -0.0119 3 ASP 28 C 0.0100 0.0052 -0.0100 4 ASP 28 O 0.0124 0.0130 -0.0129 5 ASP 28 CB 0.0097 0.0208 -0.0150 6 ASP 28 CG -0.0065 0.0192 -0.0121 7 ASP 28 OD1 -0.0104 0.0101 -0.0086 8 ASP 28 OD2 -0.0156 0.0275 -0.0135 9 ASP 28 H 0.0381 0.0123 -0.0164 10 ASP 28 HA 0.0164 -0.0013 -0.0088 11 ASP 28 HB2 0.0149 0.0226 -0.0164 12 ASP 28 HB3 0.0109 0.0300 -0.0182 13 PRO 29 N 0.0106 -0.0063 0.0337 14 PRO 29 CA -0.0003 0.0302 -0.0061 15 PRO 29 C -0.0100 0.0380 -0.0446 16 PRO 29 O -0.0132 -0.0001 -0.0629 17 PRO 29 CB -0.0058 0.0040 -0.0322 18 PRO 29 CG 0.0043 -0.0365 0.0040 19 PRO 29 CD 0.0122 -0.0532 0.0341 20 PRO 29 HA 0.0024 0.0675 0.0098 21 PRO 29 HB2 -0.0141 -0.0124 -0.0679 22 PRO 29 HB3 -0.0086 0.0331 -0.0396 23 PRO 29 HG2 0.0002 -0.0694 -0.0169 24 PRO 29 HG3 0.0099 -0.0199 0.0289 25 PRO 29 HD2 0.0088 -0.0863 0.0160 26 PRO 29 HD3 0.0218 -0.0627 0.0724 27 ASN 30 N -0.0102 0.0093 -0.0176 28 ASN 30 CA -0.0095 0.0060 -0.0030 29 ASN 30 C -0.0073 0.0148 -0.0032 30 ASN 30 O -0.0034 0.0274 0.0040 31 ASN 30 CB -0.0071 0.0092 0.0123 32 ASN 30 CG -0.0061 0.0064 0.0285 33 ASN 30 OD1 -0.0087 -0.0067 0.0354 34 ASN 30 ND2 -0.0024 0.0186 0.0349 35 ASN 30 H -0.0131 0.0003 -0.0235 36 ASN 30 HA -0.0127 -0.0066 -0.0031 37 ASN 30 HB2 -0.0091 0.0014 0.0121 38 ASN 30 HB3 -0.0042 0.0214 0.0107 39 ASN 30 HD21 -0.0004 0.0290 0.0291 40 ASN 30 HD22 -0.0017 0.0171 0.0452 41 ALA 31 N -0.0034 0.0261 -0.0091 42 ALA 31 CA -0.0033 0.0270 -0.0094 43 ALA 31 C -0.0067 0.0204 -0.0129 44 ALA 31 O -0.0096 0.0207 -0.0198 45 ALA 31 CB -0.0028 0.0348 -0.0136 46 ALA 31 H -0.0058 0.0223 -0.0121 47 ALA 31 HA -0.0009 0.0268 -0.0037 48 ALA 31 HB1 -0.0026 0.0354 -0.0134 49 ALA 31 HB2 -0.0052 0.0350 -0.0193 50 ALA 31 HB3 -0.0003 0.0395 -0.0110 51 GLU 32 N -0.0052 -0.0148 -0.0168 52 GLU 32 CA -0.0100 -0.0285 -0.0240 53 GLU 32 C -0.0054 -0.0146 -0.0233 54 GLU 32 O -0.0076 -0.0204 -0.0332 55 GLU 32 CB -0.0162 -0.0487 -0.0079 56 GLU 32 CG -0.0137 -0.0435 0.0179 57 GLU 32 CD -0.0201 -0.0643 0.0326 58 GLU 32 OE1 -0.0228 -0.0727 0.0348 59 GLU 32 OE2 -0.0226 -0.0729 0.0419 60 GLU 32 H -0.0053 -0.0165 -0.0004 61 GLU 32 HA -0.0123 -0.0337 -0.0416 62 GLU 32 HB2 -0.0196 -0.0586 -0.0142 63 GLU 32 HB3 -0.0192 -0.0579 -0.0092 64 GLU 32 HG2 -0.0104 -0.0341 0.0246 65 GLU 32 HG3 -0.0104 -0.0336 0.0191 66 PHE 33 N 0.0053 0.0149 -0.0003 67 PHE 33 CA 0.0059 0.0177 -0.0000 68 PHE 33 C 0.0078 0.0175 -0.0008 69 PHE 33 O 0.0083 0.0150 -0.0013 70 PHE 33 CB 0.0032 0.0191 0.0012 71 PHE 33 CG 0.0014 0.0171 0.0016 72 PHE 33 CD1 0.0018 0.0171 0.0014 73 PHE 33 CD2 -0.0007 0.0153 0.0021 74 PHE 33 CE1 0.0002 0.0153 0.0017 75 PHE 33 CE2 -0.0024 0.0135 0.0024 76 PHE 33 CZ -0.0019 0.0135 0.0022 77 PHE 33 H 0.0040 0.0135 0.0000 78 PHE 33 HA 0.0069 0.0191 -0.0002 79 PHE 33 HB2 0.0037 0.0211 0.0014 80 PHE 33 HB3 0.0020 0.0195 0.0017 81 PHE 33 HD1 0.0035 0.0185 0.0010 82 PHE 33 HD2 -0.0011 0.0153 0.0022 83 PHE 33 HE1 0.0006 0.0153 0.0016 84 PHE 33 HE2 -0.0040 0.0121 0.0028 85 PHE 33 HZ -0.0032 0.0121 0.0024 86 ASP 34 N 0.0083 0.0243 0.0050 87 ASP 34 CA 0.0062 0.0092 0.0131 88 ASP 34 C -0.0003 -0.0029 0.0012 89 ASP 34 O -0.0025 -0.0005 -0.0099 90 ASP 34 CB 0.0089 0.0084 0.0243 91 ASP 34 CG 0.0074 -0.0064 0.0344 92 ASP 34 OD1 0.0026 -0.0183 0.0288 93 ASP 34 OD2 0.0111 -0.0062 0.0482 94 ASP 34 H 0.0085 0.0289 0.0008 95 ASP 34 HA 0.0073 0.0072 0.0195 96 ASP 34 HB2 0.0135 0.0179 0.0316 97 ASP 34 HB3 0.0074 0.0093 0.0176 98 PRO 35 N -0.0010 -0.0166 0.0080 99 PRO 35 CA -0.0069 -0.0312 -0.0054 100 PRO 35 C -0.0096 -0.0465 -0.0013 101 PRO 35 O -0.0146 -0.0598 -0.0115 102 PRO 35 CB -0.0085 -0.0392 -0.0040 103 PRO 35 CG -0.0043 -0.0376 0.0161 104 PRO 35 CD 0.0009 -0.0200 0.0222 105 PRO 35 HA -0.0083 -0.0257 -0.0193 106 PRO 35 HB2 -0.0125 -0.0534 -0.0081 107 PRO 35 HB3 -0.0083 -0.0311 -0.0129 108 PRO 35 HG2 -0.0054 -0.0494 0.0241 109 PRO 35 HG3 -0.0038 -0.0369 0.0177 110 PRO 35 HD2 0.0031 -0.0220 0.0359 111 PRO 35 HD3 0.0035 -0.0088 0.0218 112 ASP 36 N -0.0144 -0.0594 0.0083 113 ASP 36 CA -0.0219 -0.0891 0.0157 114 ASP 36 C -0.0198 -0.0713 0.0004 115 ASP 36 O -0.0295 -0.0929 -0.0145 116 ASP 36 CB -0.0161 -0.1023 0.0618 117 ASP 36 CG -0.0230 -0.1319 0.0716 118 ASP 36 OD1 -0.0359 -0.1676 0.0621 119 ASP 36 OD2 -0.0154 -0.1195 0.0894 120 ASP 36 H -0.0035 -0.0367 0.0271 121 ASP 36 HA -0.0335 -0.1154 -0.0015 122 ASP 36 HB2 -0.0184 -0.1166 0.0713 123 ASP 36 HB3 -0.0042 -0.0756 0.0794 124 LEU 37 N -0.0078 -0.0012 0.0049 125 LEU 37 CA -0.0050 0.0073 -0.0034 126 LEU 37 C -0.0089 0.0117 -0.0139 127 LEU 37 O -0.0078 0.0124 -0.0136 128 LEU 37 CB 0.0066 0.0144 0.0005 129 LEU 37 CG 0.0113 0.0123 0.0088 130 LEU 37 CD1 0.0063 0.0115 0.0042 131 LEU 37 CD2 0.0106 0.0037 0.0198 132 LEU 37 H -0.0032 -0.0010 0.0099 133 LEU 37 HA -0.0089 0.0052 -0.0050 134 LEU 37 HB2 0.0103 0.0149 0.0042 135 LEU 37 HB3 0.0083 0.0211 -0.0066 136 LEU 37 HG 0.0193 0.0183 0.0101 137 LEU 37 HD11 0.0098 0.0102 0.0100 138 LEU 37 HD12 -0.0018 0.0057 0.0025 139 LEU 37 HD13 0.0074 0.0179 -0.0033 140 LEU 37 HD21 0.0138 0.0025 0.0252 141 LEU 37 HD22 0.0147 0.0046 0.0233 142 LEU 37 HD23 0.0026 -0.0023 0.0186 143 PRO 38 N -0.0085 0.0234 -0.0050 144 PRO 38 CA -0.0078 0.0233 -0.0056 145 PRO 38 C -0.0024 0.0214 -0.0063 146 PRO 38 O 0.0005 0.0208 -0.0094 147 PRO 38 CB -0.0105 0.0249 -0.0106 148 PRO 38 CG -0.0140 0.0262 -0.0113 149 PRO 38 CD -0.0115 0.0251 -0.0091 150 PRO 38 HA -0.0095 0.0234 -0.0023 151 PRO 38 HB2 -0.0078 0.0244 -0.0139 152 PRO 38 HB3 -0.0125 0.0256 -0.0102 153 PRO 38 HG2 -0.0147 0.0270 -0.0154 154 PRO 38 HG3 -0.0175 0.0272 -0.0091 155 PRO 38 HD2 -0.0092 0.0246 -0.0120 156 PRO 38 HD3 -0.0143 0.0258 -0.0073 157 GLY 39 N 0.0051 0.0192 -0.0064 158 GLY 39 CA 0.0082 0.0187 -0.0066 159 GLY 39 C 0.0077 0.0209 -0.0049 160 GLY 39 O 0.0091 0.0202 -0.0054 161 GLY 39 H 0.0058 0.0204 -0.0055 162 GLY 39 HA2 0.0111 0.0189 -0.0063 163 GLY 39 HA3 0.0080 0.0163 -0.0084 164 GLY 40 N 0.0011 0.0249 -0.0127 165 GLY 40 CA 0.0031 0.0252 -0.0088 166 GLY 40 C 0.0058 0.0268 -0.0049 167 GLY 40 O 0.0079 0.0276 -0.0015 168 GLY 40 H -0.0006 0.0218 -0.0133 169 GLY 40 HA2 0.0023 0.0217 -0.0075 170 GLY 40 HA3 0.0037 0.0277 -0.0099 171 GLY 41 N 0.0062 0.0234 -0.0069 172 GLY 41 CA 0.0066 0.0235 -0.0072 173 GLY 41 C 0.0084 0.0240 -0.0078 174 GLY 41 O 0.0091 0.0241 -0.0079 175 GLY 41 H 0.0055 0.0232 -0.0077 176 GLY 41 HA2 0.0057 0.0233 -0.0082 177 GLY 41 HA3 0.0064 0.0235 -0.0060 178 LEU 42 N 0.0038 0.0204 -0.0086 179 LEU 42 CA 0.0053 0.0178 -0.0087 180 LEU 42 C 0.0059 0.0152 -0.0096 181 LEU 42 O 0.0069 0.0128 -0.0101 182 LEU 42 CB 0.0075 0.0181 -0.0062 183 LEU 42 CG 0.0071 0.0205 -0.0051 184 LEU 42 CD1 0.0094 0.0206 -0.0026 185 LEU 42 CD2 0.0058 0.0202 -0.0066 186 LEU 42 H 0.0046 0.0214 -0.0071 187 LEU 42 HA 0.0044 0.0174 -0.0099 188 LEU 42 HB2 0.0084 0.0184 -0.0051 189 LEU 42 HB3 0.0085 0.0161 -0.0064 190 LEU 42 HG 0.0061 0.0225 -0.0049 191 LEU 42 HD11 0.0092 0.0223 -0.0018 192 LEU 42 HD12 0.0105 0.0186 -0.0027 193 LEU 42 HD13 0.0103 0.0209 -0.0015 194 LEU 42 HD21 0.0068 0.0182 -0.0069 195 LEU 42 HD22 0.0057 0.0219 -0.0057 196 LEU 42 HD23 0.0042 0.0203 -0.0083 197 HIS 43 N 0.0065 0.0030 -0.0160 198 HIS 43 CA 0.0076 -0.0020 -0.0155 199 HIS 43 C 0.0041 0.0001 -0.0205 200 HIS 43 O 0.0038 0.0060 -0.0194 201 HIS 43 CB 0.0119 -0.0011 -0.0084 202 HIS 43 CG 0.0157 -0.0023 -0.0027 203 HIS 43 ND1 0.0182 -0.0095 -0.0007 204 HIS 43 CD2 0.0174 0.0030 0.0014 205 HIS 43 CE1 0.0213 -0.0086 0.0044 206 HIS 43 NE2 0.0209 -0.0011 0.0058 207 HIS 43 H 0.0057 0.0087 -0.0157 208 HIS 43 HA 0.0079 -0.0081 -0.0167 209 HIS 43 HB2 0.0115 0.0045 -0.0076 210 HIS 43 HB3 0.0127 -0.0055 -0.0083 211 HIS 43 HD1 0.0177 -0.0146 -0.0029 212 HIS 43 HD2 0.0163 0.0094 0.0013 213 HIS 43 HE1 0.0238 -0.0134 0.0071 214 HIS 43 HE2 0.0224 0.0010 0.0088 215 ARG 44 N 0.0048 0.0013 -0.0186 216 ARG 44 CA 0.0002 -0.0003 -0.0207 217 ARG 44 C 0.0005 -0.0049 -0.0237 218 ARG 44 O 0.0033 -0.0065 -0.0242 219 ARG 44 CB -0.0038 0.0017 -0.0202 220 ARG 44 CG -0.0040 0.0064 -0.0171 221 ARG 44 CD -0.0078 0.0080 -0.0169 222 ARG 44 NE -0.0081 0.0125 -0.0139 223 ARG 44 CZ -0.0115 0.0146 -0.0132 224 ARG 44 NH1 -0.0148 0.0126 -0.0153 225 ARG 44 NH2 -0.0116 0.0187 -0.0105 226 ARG 44 H 0.0065 0.0008 -0.0186 227 ARG 44 HA -0.0011 0.0003 -0.0206 228 ARG 44 HB2 -0.0031 0.0003 -0.0210 229 ARG 44 HB3 -0.0073 0.0010 -0.0215 230 ARG 44 HG2 -0.0051 0.0079 -0.0164 231 ARG 44 HG3 -0.0004 0.0072 -0.0158 232 ARG 44 HD2 -0.0068 0.0063 -0.0178 233 ARG 44 HD3 -0.0114 0.0072 -0.0181 234 ARG 44 HE -0.0055 0.0140 -0.0123 235 ARG 44 HH11 -0.0149 0.0094 -0.0174 236 ARG 44 HH12 -0.0174 0.0141 -0.0149 237 ARG 44 HH21 -0.0091 0.0204 -0.0088 238 ARG 44 HH22 -0.0141 0.0204 -0.0099 239 CYS 45 N -0.0046 -0.0077 -0.0208 240 CYS 45 CA -0.0065 -0.0101 -0.0188 241 CYS 45 C -0.0094 -0.0098 -0.0180 242 CYS 45 O -0.0088 -0.0103 -0.0179 243 CYS 45 CB -0.0043 -0.0134 -0.0176 244 CYS 45 SG -0.0067 -0.0166 -0.0149 245 CYS 45 H -0.0031 -0.0078 -0.0213 246 CYS 45 HA -0.0075 -0.0096 -0.0188 247 CYS 45 HB2 -0.0025 -0.0135 -0.0181 248 CYS 45 HB3 -0.0028 -0.0136 -0.0179 249 LEU 46 N -0.0130 -0.0108 -0.0132 250 LEU 46 CA -0.0148 -0.0104 -0.0132 251 LEU 46 C -0.0139 -0.0123 -0.0105 252 LEU 46 O -0.0134 -0.0122 -0.0108 253 LEU 46 CB -0.0188 -0.0095 -0.0132 254 LEU 46 CG -0.0200 -0.0075 -0.0160 255 LEU 46 CD1 -0.0240 -0.0068 -0.0157 256 LEU 46 CD2 -0.0188 -0.0058 -0.0191 257 LEU 46 H -0.0144 -0.0107 -0.0129 258 LEU 46 HA -0.0138 -0.0093 -0.0154 259 LEU 46 HB2 -0.0198 -0.0106 -0.0111 260 LEU 46 HB3 -0.0201 -0.0092 -0.0132 261 LEU 46 HG -0.0186 -0.0078 -0.0161 262 LEU 46 HD11 -0.0247 -0.0080 -0.0136 263 LEU 46 HD12 -0.0248 -0.0054 -0.0177 264 LEU 46 HD13 -0.0254 -0.0067 -0.0154 265 LEU 46 HD21 -0.0159 -0.0062 -0.0195 266 LEU 46 HD22 -0.0200 -0.0056 -0.0190 267 LEU 46 HD23 -0.0197 -0.0044 -0.0210 268 ALA 47 N -0.0131 -0.0074 0.0003 269 ALA 47 CA -0.0113 -0.0080 0.0035 270 ALA 47 C -0.0096 -0.0125 0.0025 271 ALA 47 O -0.0075 -0.0140 0.0053 272 ALA 47 CB -0.0128 -0.0047 0.0038 273 ALA 47 H -0.0150 -0.0052 -0.0015 274 ALA 47 HA -0.0101 -0.0076 0.0066 275 ALA 47 HB1 -0.0115 -0.0051 0.0064 276 ALA 47 HB2 -0.0140 -0.0051 0.0008 277 ALA 47 HB3 -0.0140 -0.0015 0.0045 278 CYS 48 N -0.0124 -0.0194 -0.0025 279 CYS 48 CA -0.0107 -0.0234 -0.0036 280 CYS 48 C -0.0110 -0.0219 -0.0037 281 CYS 48 O -0.0101 -0.0252 -0.0039 282 CYS 48 CB -0.0073 -0.0255 -0.0078 283 CYS 48 SG -0.0069 -0.0284 -0.0073 284 CYS 48 H -0.0118 -0.0161 -0.0043 285 CYS 48 HA -0.0119 -0.0266 -0.0010 286 CYS 48 HB2 -0.0058 -0.0228 -0.0106 287 CYS 48 HB3 -0.0061 -0.0285 -0.0085 288 ALA 49 N -0.0159 -0.0155 -0.0130 289 ALA 49 CA -0.0171 -0.0088 -0.0131 290 ALA 49 C -0.0105 -0.0074 -0.0160 291 ALA 49 O -0.0109 -0.0038 -0.0162 292 ALA 49 CB -0.0237 -0.0098 -0.0103 293 ALA 49 H -0.0164 -0.0146 -0.0128 294 ALA 49 HA -0.0181 -0.0039 -0.0132 295 ALA 49 HB1 -0.0228 -0.0147 -0.0101 296 ALA 49 HB2 -0.0283 -0.0107 -0.0083 297 ALA 49 HB3 -0.0247 -0.0048 -0.0104 298 ARG 50 N -0.0186 -0.0034 -0.0136 299 ARG 50 CA -0.0052 -0.0024 -0.0194 300 ARG 50 C 0.0017 0.0088 -0.0248 301 ARG 50 O 0.0001 0.0106 -0.0246 302 ARG 50 CB 0.0035 -0.0167 -0.0196 303 ARG 50 CG -0.0020 -0.0286 -0.0145 304 ARG 50 CD 0.0072 -0.0424 -0.0151 305 ARG 50 NE 0.0018 -0.0542 -0.0101 306 ARG 50 CZ 0.0074 -0.0678 -0.0092 307 ARG 50 NH1 0.0188 -0.0712 -0.0131 308 ARG 50 NH2 0.0017 -0.0778 -0.0045 309 ARG 50 H -0.0196 -0.0078 -0.0121 310 ARG 50 HA -0.0064 0.0009 -0.0196 311 ARG 50 HB2 0.0044 -0.0201 -0.0192 312 ARG 50 HB3 0.0135 -0.0151 -0.0241 313 ARG 50 HG2 -0.0028 -0.0254 -0.0150 314 ARG 50 HG3 -0.0120 -0.0305 -0.0100 315 ARG 50 HD2 0.0081 -0.0455 -0.0147 316 ARG 50 HD3 0.0170 -0.0406 -0.0196 317 ARG 50 HE -0.0064 -0.0515 -0.0073 318 ARG 50 HH11 0.0235 -0.0640 -0.0167 319 ARG 50 HH12 0.0233 -0.0812 -0.0126 320 ARG 50 HH21 -0.0068 -0.0756 -0.0015 321 ARG 50 HH22 0.0056 -0.0880 -0.0037 322 TYR 51 N 0.0015 0.0138 -0.0218 323 TYR 51 CA 0.0037 0.0149 -0.0204 324 TYR 51 C 0.0052 0.0145 -0.0206 325 TYR 51 O 0.0040 0.0145 -0.0207 326 TYR 51 CB 0.0026 0.0169 -0.0184 327 TYR 51 CG 0.0008 0.0174 -0.0181 328 TYR 51 CD1 -0.0019 0.0173 -0.0187 329 TYR 51 CD2 0.0019 0.0181 -0.0173 330 TYR 51 CE1 -0.0035 0.0178 -0.0184 331 TYR 51 CE2 0.0004 0.0185 -0.0171 332 TYR 51 CZ -0.0024 0.0184 -0.0176 333 TYR 51 OH -0.0040 0.0188 -0.0174 334 TYR 51 H 0.0000 0.0143 -0.0216 335 TYR 51 HA 0.0050 0.0146 -0.0205 336 TYR 51 HB2 0.0014 0.0172 -0.0183 337 TYR 51 HB3 0.0042 0.0178 -0.0173 338 TYR 51 HD1 -0.0028 0.0169 -0.0193 339 TYR 51 HD2 0.0041 0.0182 -0.0169 340 TYR 51 HE1 -0.0056 0.0177 -0.0189 341 TYR 51 HE2 0.0013 0.0190 -0.0165 342 TYR 51 HH -0.0056 0.0196 -0.0169 343 PHE 52 N 0.0059 0.0093 -0.0162 344 PHE 52 CA 0.0108 0.0084 -0.0129 345 PHE 52 C 0.0143 0.0115 -0.0098 346 PHE 52 O 0.0139 0.0117 -0.0101 347 PHE 52 CB 0.0127 0.0018 -0.0131 348 PHE 52 CG 0.0094 -0.0017 -0.0161 349 PHE 52 CD1 0.0052 -0.0037 -0.0195 350 PHE 52 CD2 0.0105 -0.0030 -0.0156 351 PHE 52 CE1 0.0021 -0.0068 -0.0223 352 PHE 52 CE2 0.0074 -0.0062 -0.0184 353 PHE 52 CZ 0.0033 -0.0081 -0.0218 354 PHE 52 H 0.0054 0.0074 -0.0169 355 PHE 52 HA 0.0105 0.0103 -0.0127 356 PHE 52 HB2 0.0130 -0.0001 -0.0132 357 PHE 52 HB3 0.0163 0.0013 -0.0106 358 PHE 52 HD1 0.0043 -0.0027 -0.0199 359 PHE 52 HD2 0.0137 -0.0015 -0.0130 360 PHE 52 HE1 -0.0011 -0.0083 -0.0249 361 PHE 52 HE2 0.0083 -0.0071 -0.0180 362 PHE 52 HZ 0.0009 -0.0106 -0.0240 363 ILE 53 N 0.0140 0.0153 0.0023 364 ILE 53 CA 0.0167 0.0168 0.0090 365 ILE 53 C 0.0192 0.0075 0.0129 366 ILE 53 O 0.0203 0.0067 0.0156 367 ILE 53 CB 0.0192 0.0236 0.0165 368 ILE 53 CG1 0.0213 0.0197 0.0206 369 ILE 53 CG2 0.0169 0.0336 0.0131 370 ILE 53 CD1 0.0239 0.0258 0.0282 371 ILE 53 H 0.0142 0.0183 0.0034 372 ILE 53 HA 0.0151 0.0202 0.0060 373 ILE 53 HB 0.0213 0.0238 0.0214 374 ILE 53 HG12 0.0193 0.0192 0.0156 375 ILE 53 HG13 0.0229 0.0127 0.0230 376 ILE 53 HG21 0.0147 0.0334 0.0078 377 ILE 53 HG22 0.0157 0.0362 0.0107 378 ILE 53 HG23 0.0187 0.0382 0.0184 379 ILE 53 HD11 0.0261 0.0261 0.0334 380 ILE 53 HD12 0.0252 0.0227 0.0306 381 ILE 53 HD13 0.0224 0.0329 0.0259 382 ASP 54 N 0.0199 0.0086 0.0132 383 ASP 54 CA 0.0230 -0.0012 0.0177 384 ASP 54 C 0.0222 -0.0100 0.0121 385 ASP 54 O 0.0200 -0.0080 0.0071 386 ASP 54 CB 0.0269 -0.0002 0.0286 387 ASP 54 CG 0.0304 -0.0099 0.0342 388 ASP 54 OD1 0.0318 -0.0110 0.0378 389 ASP 54 OD2 0.0316 -0.0165 0.0351 390 ASP 54 H 0.0185 0.0096 0.0098 391 ASP 54 HA 0.0231 -0.0027 0.0175 392 ASP 54 HB2 0.0274 0.0063 0.0324 393 ASP 54 HB3 0.0268 0.0011 0.0289 394 SER 55 N 0.0227 -0.0144 0.0187 395 SER 55 CA 0.0232 -0.0231 0.0129 396 SER 55 C 0.0241 -0.0238 0.0154 397 SER 55 O 0.0230 -0.0266 0.0087 398 SER 55 CB 0.0264 -0.0331 0.0150 399 SER 55 OG 0.0272 -0.0419 0.0098 400 SER 55 H 0.0245 -0.0160 0.0236 401 SER 55 HA 0.0206 -0.0218 0.0048 402 SER 55 HB2 0.0254 -0.0324 0.0122 403 SER 55 HB3 0.0289 -0.0341 0.0231 404 SER 55 HG 0.0291 -0.0447 0.0141 405 THR 56 N 0.0245 -0.0220 0.0227 406 THR 56 CA 0.0247 -0.0215 0.0247 407 THR 56 C 0.0197 -0.0129 0.0175 408 THR 56 O 0.0194 -0.0147 0.0123 409 THR 56 CB 0.0262 -0.0188 0.0376 410 THR 56 OG1 0.0306 -0.0262 0.0444 411 THR 56 CG2 0.0272 -0.0198 0.0402 412 THR 56 H 0.0250 -0.0199 0.0293 413 THR 56 HA 0.0274 -0.0295 0.0221 414 THR 56 HB 0.0233 -0.0105 0.0395 415 THR 56 HG1 0.0295 -0.0231 0.0450 416 THR 56 HG21 0.0282 -0.0177 0.0493 417 THR 56 HG22 0.0301 -0.0281 0.0379 418 THR 56 HG23 0.0239 -0.0142 0.0351 419 ASN 57 N 0.0208 -0.0130 0.0175 420 ASN 57 CA 0.0171 -0.0061 0.0123 421 ASN 57 C 0.0135 -0.0100 0.0017 422 ASN 57 O 0.0114 -0.0091 -0.0028 423 ASN 57 CB 0.0151 0.0048 0.0134 424 ASN 57 CG 0.0176 0.0110 0.0227 425 ASN 57 OD1 0.0165 0.0164 0.0229 426 ASN 57 ND2 0.0210 0.0105 0.0304 427 ASN 57 H 0.0211 -0.0104 0.0198 428 ASN 57 HA 0.0183 -0.0059 0.0153 429 ASN 57 HB2 0.0154 0.0039 0.0136 430 ASN 57 HB3 0.0116 0.0088 0.0071 431 ASN 57 HD21 0.0219 0.0063 0.0302 432 ASN 57 HD22 0.0226 0.0145 0.0364 433 LEU 58 N 0.0143 -0.0104 -0.0024 434 LEU 58 CA 0.0118 -0.0128 -0.0074 435 LEU 58 C 0.0124 -0.0184 -0.0079 436 LEU 58 O 0.0107 -0.0193 -0.0111 437 LEU 58 CB 0.0109 -0.0132 -0.0092 438 LEU 58 CG 0.0086 -0.0165 -0.0141 439 LEU 58 CD1 0.0098 -0.0227 -0.0137 440 LEU 58 CD2 0.0061 -0.0149 -0.0181 441 LEU 58 H 0.0153 -0.0101 -0.0005 442 LEU 58 HA 0.0101 -0.0099 -0.0096 443 LEU 58 HB2 0.0101 -0.0090 -0.0094 444 LEU 58 HB3 0.0128 -0.0152 -0.0063 445 LEU 58 HG 0.0077 -0.0155 -0.0154 446 LEU 58 HD11 0.0081 -0.0248 -0.0173 447 LEU 58 HD12 0.0107 -0.0241 -0.0124 448 LEU 58 HD13 0.0114 -0.0237 -0.0111 449 LEU 58 HD21 0.0069 -0.0161 -0.0170 450 LEU 58 HD22 0.0045 -0.0171 -0.0216 451 LEU 58 HD23 0.0052 -0.0104 -0.0184 452 LYS 59 N 0.0129 -0.0198 0.0016 453 LYS 59 CA 0.0157 -0.0223 -0.0021 454 LYS 59 C 0.0131 -0.0207 -0.0047 455 LYS 59 O 0.0137 -0.0217 -0.0094 456 LYS 59 CB 0.0201 -0.0253 0.0009 457 LYS 59 CG 0.0198 -0.0244 0.0057 458 LYS 59 CD 0.0244 -0.0275 0.0086 459 LYS 59 CE 0.0275 -0.0303 0.0051 460 LYS 59 NZ 0.0258 -0.0292 0.0037 461 LYS 59 H 0.0137 -0.0199 0.0055 462 LYS 59 HA 0.0163 -0.0232 -0.0054 463 LYS 59 HB2 0.0221 -0.0271 -0.0020 464 LYS 59 HB3 0.0218 -0.0264 0.0024 465 LYS 59 HG2 0.0177 -0.0225 0.0086 466 LYS 59 HG3 0.0184 -0.0235 0.0043 467 LYS 59 HD2 0.0259 -0.0285 0.0097 468 LYS 59 HD3 0.0240 -0.0267 0.0124 469 LYS 59 HE2 0.0278 -0.0310 0.0013 470 LYS 59 HE3 0.0307 -0.0324 0.0073 471 LYS 59 HZ1 0.0257 -0.0287 0.0073 472 LYS 59 HZ2 0.0280 -0.0312 0.0012 473 LYS 59 HZ3 0.0227 -0.0271 0.0016 474 THR 60 N 0.0137 -0.0168 -0.0025 475 THR 60 CA 0.0103 -0.0170 -0.0064 476 THR 60 C 0.0059 -0.0169 -0.0096 477 THR 60 O 0.0043 -0.0176 -0.0145 478 THR 60 CB 0.0074 -0.0158 -0.0032 479 THR 60 OG1 0.0116 -0.0160 -0.0004 480 THR 60 CG2 0.0038 -0.0160 -0.0072 481 THR 60 H 0.0135 -0.0159 0.0016 482 THR 60 HA 0.0131 -0.0181 -0.0093 483 THR 60 HB 0.0047 -0.0147 -0.0003 484 THR 60 HG1 0.0132 -0.0156 0.0028 485 THR 60 HG21 0.0018 -0.0151 -0.0048 486 THR 60 HG22 0.0065 -0.0171 -0.0103 487 THR 60 HG23 0.0006 -0.0158 -0.0094 488 HIS 61 N 0.0040 -0.0165 -0.0130 489 HIS 61 CA 0.0031 -0.0167 -0.0131 490 HIS 61 C 0.0018 -0.0180 -0.0127 491 HIS 61 O 0.0014 -0.0187 -0.0125 492 HIS 61 CB 0.0023 -0.0153 -0.0138 493 HIS 61 CG 0.0009 -0.0156 -0.0139 494 HIS 61 ND1 0.0009 -0.0160 -0.0137 495 HIS 61 CD2 -0.0006 -0.0155 -0.0142 496 HIS 61 CE1 -0.0005 -0.0162 -0.0139 497 HIS 61 NE2 -0.0014 -0.0159 -0.0142 498 HIS 61 H 0.0040 -0.0155 -0.0134 499 HIS 61 HA 0.0038 -0.0170 -0.0128 500 HIS 61 HB2 0.0031 -0.0147 -0.0139 501 HIS 61 HB3 0.0020 -0.0148 -0.0141 502 HIS 61 HD1 0.0018 -0.0162 -0.0135 503 HIS 61 HD2 -0.0011 -0.0152 -0.0144 504 HIS 61 HE1 -0.0010 -0.0166 -0.0138 505 PHE 62 N -0.0002 -0.0078 -0.0002 506 PHE 62 CA -0.0003 -0.0084 -0.0006 507 PHE 62 C -0.0009 -0.0076 0.0020 508 PHE 62 O -0.0012 -0.0081 0.0021 509 PHE 62 CB -0.0014 -0.0113 -0.0018 510 PHE 62 CG -0.0011 -0.0125 -0.0042 511 PHE 62 CD1 0.0004 -0.0114 -0.0065 512 PHE 62 CD2 -0.0023 -0.0146 -0.0040 513 PHE 62 CE1 0.0007 -0.0125 -0.0087 514 PHE 62 CE2 -0.0021 -0.0158 -0.0062 515 PHE 62 CZ -0.0005 -0.0147 -0.0086 516 PHE 62 H -0.0011 -0.0092 0.0003 517 PHE 62 HA 0.0009 -0.0073 -0.0021 518 PHE 62 HB2 -0.0027 -0.0125 -0.0002 519 PHE 62 HB3 -0.0011 -0.0113 -0.0025 520 PHE 62 HD1 0.0014 -0.0097 -0.0067 521 PHE 62 HD2 -0.0035 -0.0155 -0.0022 522 PHE 62 HE1 0.0020 -0.0116 -0.0106 523 PHE 62 HE2 -0.0031 -0.0175 -0.0061 524 PHE 62 HZ -0.0004 -0.0156 -0.0102 525 ARG 63 N 0.0013 -0.0070 0.0112 526 ARG 63 CA 0.0013 -0.0073 -0.0009 527 ARG 63 C -0.0030 -0.0148 -0.0002 528 ARG 63 O -0.0038 -0.0166 -0.0098 529 ARG 63 CB -0.0003 -0.0105 -0.0120 530 ARG 63 CG 0.0048 -0.0018 -0.0147 531 ARG 63 CD 0.0030 -0.0053 -0.0257 532 ARG 63 NE 0.0020 -0.0074 -0.0375 533 ARG 63 CZ 0.0014 -0.0089 -0.0491 534 ARG 63 NH1 0.0021 -0.0079 -0.0508 535 ARG 63 NH2 0.0003 -0.0111 -0.0591 536 ARG 63 H -0.0011 -0.0110 0.0122 537 ARG 63 HA 0.0062 0.0010 -0.0024 538 ARG 63 HB2 -0.0048 -0.0183 -0.0099 539 ARG 63 HB3 -0.0007 -0.0115 -0.0206 540 ARG 63 HG2 0.0093 0.0059 -0.0171 541 ARG 63 HG3 0.0053 -0.0007 -0.0061 542 ARG 63 HD2 0.0068 0.0012 -0.0274 543 ARG 63 HD3 -0.0014 -0.0129 -0.0231 544 ARG 63 HE 0.0017 -0.0079 -0.0365 545 ARG 63 HH11 0.0030 -0.0060 -0.0435 546 ARG 63 HH12 0.0016 -0.0089 -0.0594 547 ARG 63 HH21 -0.0001 -0.0118 -0.0581 548 ARG 63 HH22 -0.0002 -0.0124 -0.0680 549 SER 64 N -0.0103 0.0007 -0.0056 550 SER 64 CA -0.0083 0.0007 -0.0030 551 SER 64 C -0.0080 0.0039 -0.0005 552 SER 64 O -0.0071 0.0041 0.0007 553 SER 64 CB -0.0059 -0.0024 -0.0020 554 SER 64 OG -0.0063 -0.0054 -0.0044 555 SER 64 H -0.0099 -0.0005 -0.0060 556 SER 64 HA -0.0086 0.0006 -0.0035 557 SER 64 HB2 -0.0054 -0.0021 -0.0011 558 SER 64 HB3 -0.0045 -0.0027 -0.0003 559 SER 64 HG -0.0064 -0.0061 -0.0050 560 LYS 65 N -0.0133 0.0162 0.0085 561 LYS 65 CA -0.0097 0.0165 0.0060 562 LYS 65 C -0.0049 0.0176 0.0024 563 LYS 65 O -0.0011 0.0156 0.0006 564 LYS 65 CB -0.0117 0.0203 0.0060 565 LYS 65 CG -0.0143 0.0262 0.0058 566 LYS 65 CD -0.0109 0.0297 0.0024 567 LYS 65 CE -0.0136 0.0355 0.0023 568 LYS 65 NZ -0.0105 0.0389 -0.0008 569 LYS 65 H -0.0164 0.0187 0.0097 570 LYS 65 HA -0.0089 0.0123 0.0068 571 LYS 65 HB2 -0.0088 0.0207 0.0040 572 LYS 65 HB3 -0.0142 0.0184 0.0083 573 LYS 65 HG2 -0.0157 0.0282 0.0061 574 LYS 65 HG3 -0.0172 0.0259 0.0078 575 LYS 65 HD2 -0.0094 0.0278 0.0021 576 LYS 65 HD3 -0.0081 0.0301 0.0004 577 LYS 65 HE2 -0.0149 0.0375 0.0025 578 LYS 65 HE3 -0.0167 0.0351 0.0045 579 LYS 65 HZ1 -0.0075 0.0393 -0.0030 580 LYS 65 HZ2 -0.0093 0.0372 -0.0011 581 LYS 65 HZ3 -0.0124 0.0428 -0.0009 582 ASP 66 N -0.0087 0.0219 0.0055 583 ASP 66 CA -0.0074 0.0227 0.0032 584 ASP 66 C -0.0065 0.0210 0.0023 585 ASP 66 O -0.0052 0.0206 0.0004 586 ASP 66 CB -0.0078 0.0254 0.0030 587 ASP 66 CG -0.0065 0.0265 0.0007 588 ASP 66 OD1 -0.0063 0.0277 -0.0001 589 ASP 66 OD2 -0.0058 0.0264 -0.0003 590 ASP 66 H -0.0096 0.0228 0.0066 591 ASP 66 HA -0.0069 0.0226 0.0024 592 ASP 66 HB2 -0.0086 0.0265 0.0039 593 ASP 66 HB3 -0.0082 0.0253 0.0037 594 HIS 67 N -0.0088 0.0101 0.0048 595 HIS 67 CA -0.0076 0.0076 0.0045 596 HIS 67 C -0.0077 0.0093 0.0051 597 HIS 67 O -0.0054 0.0090 0.0063 598 HIS 67 CB -0.0096 0.0047 0.0022 599 HIS 67 CG -0.0085 0.0018 0.0017 600 HIS 67 ND1 -0.0053 0.0006 0.0032 601 HIS 67 CD2 -0.0101 -0.0007 -0.0001 602 HIS 67 CE1 -0.0050 -0.0025 0.0022 603 HIS 67 NE2 -0.0078 -0.0034 0.0002 604 HIS 67 H -0.0107 0.0099 0.0035 605 HIS 67 HA -0.0051 0.0064 0.0056 606 HIS 67 HB2 -0.0095 0.0032 0.0017 607 HIS 67 HB3 -0.0120 0.0057 0.0011 608 HIS 67 HD1 -0.0035 0.0019 0.0048 609 HIS 67 HD2 -0.0127 -0.0000 -0.0014 610 HIS 67 HE1 -0.0028 -0.0042 0.0029 611 LYS 68 N -0.0082 0.0070 0.0069 612 LYS 68 CA -0.0075 0.0063 0.0068 613 LYS 68 C -0.0075 0.0059 0.0058 614 LYS 68 O -0.0071 0.0055 0.0055 615 LYS 68 CB -0.0069 0.0060 0.0074 616 LYS 68 CG -0.0070 0.0064 0.0085 617 LYS 68 CD -0.0064 0.0060 0.0090 618 LYS 68 CE -0.0064 0.0059 0.0086 619 LYS 68 NZ -0.0058 0.0056 0.0092 620 LYS 68 H -0.0083 0.0071 0.0072 621 LYS 68 HA -0.0075 0.0064 0.0071 622 LYS 68 HB2 -0.0069 0.0059 0.0071 623 LYS 68 HB3 -0.0064 0.0055 0.0075 624 LYS 68 HG2 -0.0071 0.0066 0.0088 625 LYS 68 HG3 -0.0076 0.0069 0.0085 626 LYS 68 HD2 -0.0059 0.0056 0.0090 627 LYS 68 HD3 -0.0065 0.0063 0.0098 628 LYS 68 HE2 -0.0069 0.0064 0.0086 629 LYS 68 HE3 -0.0063 0.0056 0.0079 630 LYS 68 HZ1 -0.0053 0.0051 0.0092 631 LYS 68 HZ2 -0.0058 0.0055 0.0089 632 LYS 68 HZ3 -0.0059 0.0059 0.0098 633 LYS 69 N -0.0089 0.0176 0.0047 634 LYS 69 CA -0.0073 0.0192 0.0019 635 LYS 69 C -0.0051 0.0191 -0.0014 636 LYS 69 O -0.0032 0.0178 -0.0040 637 LYS 69 CB -0.0084 0.0234 0.0026 638 LYS 69 CG -0.0069 0.0262 -0.0004 639 LYS 69 CD -0.0084 0.0303 0.0009 640 LYS 69 CE -0.0072 0.0336 -0.0018 641 LYS 69 NZ -0.0088 0.0375 -0.0002 642 LYS 69 H -0.0104 0.0193 0.0066 643 LYS 69 HA -0.0070 0.0174 0.0018 644 LYS 69 HB2 -0.0097 0.0233 0.0046 645 LYS 69 HB3 -0.0093 0.0248 0.0036 646 LYS 69 HG2 -0.0056 0.0260 -0.0023 647 LYS 69 HG3 -0.0062 0.0251 -0.0012 648 LYS 69 HD2 -0.0097 0.0302 0.0029 649 LYS 69 HD3 -0.0092 0.0311 0.0020 650 LYS 69 HE2 -0.0058 0.0337 -0.0039 651 LYS 69 HE3 -0.0065 0.0330 -0.0026 652 LYS 69 HZ1 -0.0080 0.0400 -0.0020 653 LYS 69 HZ2 -0.0095 0.0381 0.0007 654 LYS 69 HZ3 -0.0102 0.0375 0.0019 655 ARG 70 N -0.0078 0.0191 0.0019 656 ARG 70 CA -0.0106 0.0209 -0.0004 657 ARG 70 C -0.0080 0.0190 0.0012 658 ARG 70 O -0.0087 0.0184 -0.0020 659 ARG 70 CB -0.0146 0.0260 0.0018 660 ARG 70 CG -0.0179 0.0282 -0.0009 661 ARG 70 CD -0.0195 0.0271 -0.0074 662 ARG 70 NE -0.0225 0.0290 -0.0102 663 ARG 70 CZ -0.0229 0.0271 -0.0155 664 ARG 70 NH1 -0.0205 0.0233 -0.0187 665 ARG 70 NH2 -0.0258 0.0292 -0.0177 666 ARG 70 H -0.0084 0.0211 0.0051 667 ARG 70 HA -0.0116 0.0200 -0.0050 668 ARG 70 HB2 -0.0161 0.0273 0.0013 669 ARG 70 HB3 -0.0135 0.0268 0.0064 670 ARG 70 HG2 -0.0207 0.0318 0.0008 671 ARG 70 HG3 -0.0164 0.0271 0.0000 672 ARG 70 HD2 -0.0167 0.0235 -0.0091 673 ARG 70 HD3 -0.0210 0.0282 -0.0084 674 ARG 70 HE -0.0243 0.0318 -0.0079 675 ARG 70 HH11 -0.0183 0.0216 -0.0173 676 ARG 70 HH12 -0.0208 0.0219 -0.0227 677 ARG 70 HH21 -0.0277 0.0320 -0.0154 678 ARG 70 HH22 -0.0263 0.0279 -0.0217 679 LEU 71 N -0.0098 0.0145 0.0061 680 LEU 71 CA -0.0082 0.0129 0.0073 681 LEU 71 C -0.0058 0.0135 0.0063 682 LEU 71 O -0.0038 0.0125 0.0068 683 LEU 71 CB -0.0096 0.0117 0.0085 684 LEU 71 CG -0.0121 0.0110 0.0096 685 LEU 71 CD1 -0.0132 0.0098 0.0109 686 LEU 71 CD2 -0.0116 0.0098 0.0106 687 LEU 71 H -0.0114 0.0149 0.0062 688 LEU 71 HA -0.0077 0.0119 0.0080 689 LEU 71 HB2 -0.0101 0.0127 0.0078 690 LEU 71 HB3 -0.0083 0.0105 0.0094 691 LEU 71 HG -0.0134 0.0122 0.0088 692 LEU 71 HD11 -0.0118 0.0085 0.0117 693 LEU 71 HD12 -0.0135 0.0106 0.0102 694 LEU 71 HD13 -0.0149 0.0093 0.0116 695 LEU 71 HD21 -0.0110 0.0107 0.0097 696 LEU 71 HD22 -0.0102 0.0086 0.0114 697 LEU 71 HD23 -0.0134 0.0093 0.0113 698 LYS 72 N -0.0053 0.0148 0.0032 699 LYS 72 CA -0.0028 0.0139 0.0010 700 LYS 72 C -0.0006 0.0151 -0.0025 701 LYS 72 O 0.0022 0.0132 -0.0041 702 LYS 72 CB -0.0041 0.0156 0.0011 703 LYS 72 CG -0.0017 0.0148 -0.0010 704 LYS 72 CD -0.0032 0.0164 -0.0006 705 LYS 72 CE -0.0009 0.0156 -0.0027 706 LYS 72 NZ -0.0023 0.0170 -0.0023 707 LYS 72 H -0.0074 0.0164 0.0042 708 LYS 72 HA -0.0015 0.0110 0.0021 709 LYS 72 HB2 -0.0057 0.0148 0.0036 710 LYS 72 HB3 -0.0054 0.0185 0.0001 711 LYS 72 HG2 -0.0003 0.0159 -0.0036 712 LYS 72 HG3 -0.0003 0.0119 -0.0001 713 LYS 72 HD2 -0.0047 0.0154 0.0020 714 LYS 72 HD3 -0.0046 0.0193 -0.0015 715 LYS 72 HE2 0.0006 0.0167 -0.0053 716 LYS 72 HE3 0.0005 0.0127 -0.0018 717 LYS 72 HZ1 -0.0037 0.0198 -0.0030 718 LYS 72 HZ2 -0.0037 0.0160 0.0003 719 LYS 72 HZ3 -0.0006 0.0164 -0.0037 720 GLN 73 N -0.0021 0.0186 -0.0072 721 GLN 73 CA -0.0028 0.0197 -0.0121 722 GLN 73 C -0.0023 0.0191 -0.0103 723 GLN 73 O -0.0002 0.0180 -0.0134 724 GLN 73 CB -0.0078 0.0233 -0.0143 725 GLN 73 CG -0.0086 0.0241 -0.0166 726 GLN 73 CD -0.0136 0.0277 -0.0186 727 GLN 73 OE1 -0.0171 0.0298 -0.0163 728 GLN 73 NE2 -0.0141 0.0285 -0.0228 729 GLN 73 H -0.0048 0.0203 -0.0055 730 GLN 73 HA -0.0001 0.0182 -0.0155 731 GLN 73 HB2 -0.0105 0.0247 -0.0109 732 GLN 73 HB3 -0.0083 0.0240 -0.0178 733 GLN 73 HG2 -0.0061 0.0227 -0.0203 734 GLN 73 HG3 -0.0080 0.0233 -0.0132 735 GLN 73 HE21 -0.0112 0.0266 -0.0244 736 GLN 73 HE22 -0.0173 0.0308 -0.0243 737 LEU 74 N -0.0040 0.0195 -0.0047 738 LEU 74 CA -0.0031 0.0179 -0.0016 739 LEU 74 C 0.0016 0.0155 0.0006 740 LEU 74 O 0.0033 0.0140 0.0026 741 LEU 74 CB -0.0075 0.0178 0.0020 742 LEU 74 CG -0.0075 0.0165 0.0052 743 LEU 74 CD1 -0.0070 0.0175 0.0025 744 LEU 74 CD2 -0.0120 0.0165 0.0087 745 LEU 74 H -0.0063 0.0198 -0.0036 746 LEU 74 HA -0.0027 0.0187 -0.0037 747 LEU 74 HB2 -0.0107 0.0196 0.0003 748 LEU 74 HB3 -0.0075 0.0170 0.0040 749 LEU 74 HG -0.0044 0.0146 0.0072 750 LEU 74 HD11 -0.0071 0.0165 0.0048 751 LEU 74 HD12 -0.0100 0.0193 0.0004 752 LEU 74 HD13 -0.0037 0.0174 0.0002 753 LEU 74 HD21 -0.0151 0.0183 0.0068 754 LEU 74 HD22 -0.0119 0.0155 0.0109 755 LEU 74 HD23 -0.0122 0.0157 0.0107 756 SER 75 N 0.0012 0.0151 -0.0002 757 SER 75 CA 0.0054 0.0120 0.0016 758 SER 75 C 0.0041 0.0089 0.0070 759 SER 75 O 0.0074 0.0058 0.0092 760 SER 75 CB 0.0106 0.0111 -0.0005 761 SER 75 OG 0.0149 0.0083 0.0010 762 SER 75 H -0.0011 0.0169 -0.0014 763 SER 75 HA 0.0057 0.0126 0.0005 764 SER 75 HB2 0.0114 0.0134 -0.0042 765 SER 75 HB3 0.0103 0.0105 0.0006 766 SER 75 HG 0.0177 0.0089 -0.0017 767 VAL 76 N -0.0043 0.0129 0.0091 768 VAL 76 CA -0.0056 0.0109 0.0113 769 VAL 76 C -0.0054 0.0100 0.0121 770 VAL 76 O -0.0041 0.0081 0.0134 771 VAL 76 CB -0.0088 0.0114 0.0119 772 VAL 76 CG1 -0.0101 0.0094 0.0142 773 VAL 76 CG2 -0.0090 0.0123 0.0112 774 VAL 76 H -0.0055 0.0144 0.0081 775 VAL 76 HA -0.0044 0.0096 0.0121 776 VAL 76 HB -0.0099 0.0127 0.0110 777 VAL 76 HG11 -0.0123 0.0097 0.0145 778 VAL 76 HG12 -0.0089 0.0080 0.0150 779 VAL 76 HG13 -0.0100 0.0088 0.0146 780 VAL 76 HG21 -0.0113 0.0126 0.0115 781 VAL 76 HG22 -0.0081 0.0138 0.0095 782 VAL 76 HG23 -0.0078 0.0110 0.0119 783 GLU 77 N -0.0035 0.0063 0.0132 784 GLU 77 CA -0.0034 0.0061 0.0134 785 GLU 77 C -0.0032 0.0075 0.0120 786 GLU 77 O -0.0046 0.0084 0.0113 787 GLU 77 CB -0.0051 0.0054 0.0144 788 GLU 77 CG -0.0072 0.0060 0.0141 789 GLU 77 CD -0.0088 0.0053 0.0151 790 GLU 77 OE1 -0.0091 0.0042 0.0163 791 GLU 77 OE2 -0.0098 0.0059 0.0146 792 GLU 77 H -0.0043 0.0072 0.0125 793 GLU 77 HA -0.0020 0.0054 0.0138 794 GLU 77 HB2 -0.0050 0.0054 0.0143 795 GLU 77 HB3 -0.0049 0.0043 0.0155 796 GLU 77 HG2 -0.0073 0.0060 0.0142 797 GLU 77 HG3 -0.0073 0.0071 0.0130 798 PRO 78 N 0.0004 0.0029 0.0117 799 PRO 78 CA 0.0012 0.0028 0.0101 800 PRO 78 C 0.0007 0.0012 0.0139 801 PRO 78 O 0.0018 -0.0019 0.0163 802 PRO 78 CB 0.0045 0.0001 0.0072 803 PRO 78 CG 0.0051 -0.0001 0.0063 804 PRO 78 CD 0.0030 0.0004 0.0101 805 PRO 78 HA 0.0001 0.0056 0.0085 806 PRO 78 HB2 0.0057 -0.0026 0.0088 807 PRO 78 HB3 0.0050 0.0013 0.0044 808 PRO 78 HG2 0.0073 -0.0028 0.0057 809 PRO 78 HG3 0.0048 0.0021 0.0036 810 PRO 78 HD2 0.0038 -0.0022 0.0124 811 PRO 78 HD3 0.0024 0.0018 0.0092 812 TYR 79 N -0.0010 0.0002 0.0165 813 TYR 79 CA -0.0004 -0.0006 0.0195 814 TYR 79 C -0.0003 0.0013 0.0213 815 TYR 79 O -0.0001 0.0008 0.0217 816 TYR 79 CB -0.0001 -0.0039 0.0200 817 TYR 79 CG -0.0001 -0.0058 0.0186 818 TYR 79 CD1 -0.0006 -0.0068 0.0158 819 TYR 79 CD2 0.0002 -0.0067 0.0200 820 TYR 79 CE1 -0.0006 -0.0086 0.0145 821 TYR 79 CE2 0.0001 -0.0084 0.0187 822 TYR 79 CZ -0.0003 -0.0094 0.0160 823 TYR 79 OH -0.0004 -0.0111 0.0147 824 TYR 79 H -0.0012 0.0011 0.0157 825 TYR 79 HA -0.0003 -0.0001 0.0202 826 TYR 79 HB2 -0.0002 -0.0044 0.0192 827 TYR 79 HB3 0.0004 -0.0043 0.0223 828 TYR 79 HD1 -0.0008 -0.0062 0.0147 829 TYR 79 HD2 0.0005 -0.0059 0.0222 830 TYR 79 HE1 -0.0010 -0.0093 0.0123 831 TYR 79 HE2 0.0003 -0.0091 0.0199 832 TYR 79 HH -0.0004 -0.0102 0.0150 833 SER 80 N -0.0011 -0.0009 0.0149 834 SER 80 CA -0.0012 0.0007 0.0161 835 SER 80 C 0.0002 0.0004 0.0173 836 SER 80 O 0.0013 -0.0010 0.0173 837 SER 80 CB -0.0026 0.0017 0.0154 838 SER 80 OG -0.0028 0.0033 0.0165 839 SER 80 H -0.0014 -0.0014 0.0142 840 SER 80 HA -0.0012 0.0013 0.0165 841 SER 80 HB2 -0.0035 0.0018 0.0145 842 SER 80 HB3 -0.0025 0.0011 0.0150 843 SER 80 HG -0.0032 0.0039 0.0166 844 GLN 81 N 0.0018 -0.0059 0.0147 845 GLN 81 CA 0.0036 -0.0061 0.0115 846 GLN 81 C 0.0045 -0.0085 0.0123 847 GLN 81 O 0.0044 -0.0110 0.0149 848 GLN 81 CB 0.0056 -0.0073 0.0091 849 GLN 81 CG 0.0073 -0.0070 0.0055 850 GLN 81 CD 0.0094 -0.0085 0.0031 851 GLN 81 OE1 0.0101 -0.0109 0.0041 852 GLN 81 NE2 0.0103 -0.0070 -0.0002 853 GLN 81 H 0.0020 -0.0070 0.0154 854 GLN 81 HA 0.0029 -0.0035 0.0103 855 GLN 81 HB2 0.0049 -0.0058 0.0088 856 GLN 81 HB3 0.0064 -0.0100 0.0101 857 GLN 81 HG2 0.0079 -0.0084 0.0057 858 GLN 81 HG3 0.0064 -0.0043 0.0044 859 GLN 81 HE21 0.0096 -0.0050 -0.0008 860 GLN 81 HE22 0.0116 -0.0079 -0.0018 861 GLU 82 N 0.0043 -0.0095 0.0110 862 GLU 82 CA 0.0041 -0.0092 0.0097 863 GLU 82 C 0.0055 -0.0097 0.0081 864 GLU 82 O 0.0056 -0.0096 0.0069 865 GLU 82 CB 0.0023 -0.0082 0.0090 866 GLU 82 CG 0.0019 -0.0079 0.0076 867 GLU 82 CD 0.0001 -0.0069 0.0071 868 GLU 82 OE1 -0.0004 -0.0066 0.0060 869 GLU 82 OE2 -0.0010 -0.0065 0.0079 870 GLU 82 H 0.0049 -0.0099 0.0122 871 GLU 82 HA 0.0043 -0.0094 0.0104 872 GLU 82 HB2 0.0014 -0.0079 0.0102 873 GLU 82 HB3 0.0021 -0.0080 0.0083 874 GLU 82 HG2 0.0027 -0.0081 0.0064 875 GLU 82 HG3 0.0021 -0.0081 0.0083 876 GLU 83 N 0.0043 -0.0045 0.0148 877 GLU 83 CA 0.0034 -0.0031 0.0163 878 GLU 83 C 0.0028 -0.0002 0.0158 879 GLU 83 O 0.0027 0.0012 0.0150 880 GLU 83 CB 0.0026 -0.0040 0.0191 881 GLU 83 CG 0.0016 -0.0026 0.0209 882 GLU 83 CD 0.0010 -0.0038 0.0235 883 GLU 83 OE1 0.0004 -0.0034 0.0247 884 GLU 83 OE2 0.0010 -0.0052 0.0245 885 GLU 83 H 0.0043 -0.0042 0.0147 886 GLU 83 HA 0.0037 -0.0035 0.0159 887 GLU 83 HB2 0.0031 -0.0060 0.0194 888 GLU 83 HB3 0.0024 -0.0037 0.0195 889 GLU 83 HG2 0.0011 -0.0006 0.0208 890 GLU 83 HG3 0.0018 -0.0027 0.0204 891 ALA 84 N 0.0064 -0.0018 0.0169 892 ALA 84 CA 0.0080 0.0006 0.0179 893 ALA 84 C 0.0083 0.0008 0.0173 894 ALA 84 O 0.0092 0.0023 0.0187 895 ALA 84 CB 0.0079 0.0012 0.0212 896 ALA 84 H 0.0051 -0.0031 0.0182 897 ALA 84 HA 0.0093 0.0018 0.0166 898 ALA 84 HB1 0.0091 0.0030 0.0219 899 ALA 84 HB2 0.0066 -0.0000 0.0225 900 ALA 84 HB3 0.0078 0.0013 0.0215 901 GLU 85 N 0.0070 -0.0011 0.0140 902 GLU 85 CA 0.0061 -0.0023 0.0116 903 GLU 85 C 0.0049 -0.0041 0.0086 904 GLU 85 O 0.0039 -0.0072 0.0091 905 GLU 85 CB 0.0056 -0.0050 0.0139 906 GLU 85 CG 0.0049 -0.0059 0.0118 907 GLU 85 CD 0.0034 -0.0084 0.0087 908 GLU 85 OE1 0.0023 -0.0117 0.0094 909 GLU 85 OE2 0.0032 -0.0070 0.0054 910 GLU 85 H 0.0066 -0.0019 0.0134 911 GLU 85 HA 0.0067 -0.0000 0.0104 912 GLU 85 HB2 0.0065 -0.0038 0.0165 913 GLU 85 HB3 0.0048 -0.0074 0.0145 914 GLU 85 HG2 0.0056 -0.0032 0.0106 915 GLU 85 HG3 0.0049 -0.0068 0.0139 916 ARG 86 N 0.0042 -0.0032 -0.0047 917 ARG 86 CA 0.0046 -0.0040 -0.0051 918 ARG 86 C 0.0021 -0.0040 -0.0106 919 ARG 86 O -0.0008 -0.0013 -0.0135 920 ARG 86 CB 0.0044 -0.0004 -0.0004 921 ARG 86 CG 0.0015 0.0052 0.0008 922 ARG 86 CD -0.0022 0.0079 -0.0039 923 ARG 86 NE -0.0048 0.0130 -0.0027 924 ARG 86 CZ -0.0082 0.0160 -0.0063 925 ARG 86 NH1 -0.0096 0.0145 -0.0114 926 ARG 86 NH2 -0.0103 0.0205 -0.0047 927 ARG 86 H 0.0019 -0.0001 -0.0057 928 ARG 86 HA 0.0071 -0.0078 -0.0045 929 ARG 86 HB2 0.0041 -0.0005 -0.0013 930 ARG 86 HB3 0.0069 -0.0018 0.0033 931 ARG 86 HG2 0.0018 0.0072 0.0043 932 ARG 86 HG3 0.0018 0.0054 0.0017 933 ARG 86 HD2 -0.0025 0.0057 -0.0075 934 ARG 86 HD3 -0.0026 0.0081 -0.0044 935 ARG 86 HE -0.0039 0.0143 0.0011 936 ARG 86 HH11 -0.0081 0.0112 -0.0128 937 ARG 86 HH12 -0.0121 0.0167 -0.0141 938 ARG 86 HH21 -0.0094 0.0218 -0.0009 939 ARG 86 HH22 -0.0129 0.0228 -0.0073 940 ALA 87 N 0.0033 -0.0054 -0.0164 941 ALA 87 CA 0.0039 -0.0061 -0.0258 942 ALA 87 C 0.0024 -0.0044 -0.0205 943 ALA 87 O 0.0060 -0.0084 -0.0237 944 ALA 87 CB 0.0122 -0.0152 -0.0308 945 ALA 87 H 0.0078 -0.0102 -0.0109 946 ALA 87 HA -0.0004 -0.0015 -0.0325 947 ALA 87 HB1 0.0165 -0.0198 -0.0240 948 ALA 87 HB2 0.0133 -0.0164 -0.0345 949 ALA 87 HB3 0.0128 -0.0159 -0.0376 950 ALA 88 N -0.0021 -0.0006 -0.0192 951 ALA 88 CA -0.0028 0.0022 -0.0182 952 ALA 88 C -0.0047 0.0049 -0.0186 953 ALA 88 O -0.0041 0.0067 -0.0167 954 ALA 88 CB -0.0006 0.0028 -0.0153 955 ALA 88 H -0.0016 -0.0004 -0.0185 956 ALA 88 HA -0.0037 0.0018 -0.0195 957 ALA 88 HB1 0.0003 0.0033 -0.0140 958 ALA 88 HB2 0.0007 0.0008 -0.0151 959 ALA 88 HB3 -0.0013 0.0049 -0.0147 960 GLY 89 N -0.0106 0.0053 -0.0267 961 GLY 89 CA -0.0011 0.0003 -0.0256 962 GLY 89 C -0.0071 -0.0002 -0.0193 963 GLY 89 O -0.0152 0.0059 -0.0238 964 GLY 89 H -0.0192 0.0065 -0.0216 965 GLY 89 HA2 0.0041 0.0028 -0.0348 966 GLY 89 HA3 0.0055 -0.0055 -0.0201 967 MET 90 N -0.0515 -0.0265 0.0195 968 MET 90 CA -0.0359 -0.0234 0.0148 969 MET 90 C -0.0345 -0.0364 0.0243 970 MET 90 O -0.0244 -0.0496 0.0326 971 MET 90 CB -0.0153 -0.0217 0.0106 972 MET 90 CG 0.0014 -0.0151 0.0032 973 MET 90 SD 0.0094 -0.0274 0.0112 974 MET 90 CE 0.0295 -0.0166 0.0002 975 MET 90 H -0.0629 -0.0183 0.0151 976 MET 90 HA -0.0408 -0.0120 0.0071 977 MET 90 HB2 -0.0177 -0.0137 0.0050 978 MET 90 HB3 -0.0098 -0.0336 0.0186 979 MET 90 HG2 -0.0041 -0.0032 -0.0048 980 MET 90 HG3 0.0142 -0.0137 0.0003 981 MET 90 HE1 0.0238 -0.0044 -0.0081 982 MET 90 HE2 0.0359 -0.0227 0.0038 983 MET 90 HE3 0.0408 -0.0161 -0.0019 984 GLY 91 N -0.0046 -0.0288 0.0210 985 GLY 91 CA 0.0021 -0.0309 0.0140 986 GLY 91 C 0.0121 -0.0230 0.0102 987 GLY 91 O 0.0162 -0.0158 0.0110 988 GLY 91 H -0.0053 -0.0215 0.0260 989 GLY 91 HA2 0.0021 -0.0392 0.0090 990 GLY 91 HA3 0.0001 -0.0298 0.0164 991 SER 92 N 0.0183 -0.0243 0.0124 992 SER 92 CA 0.0179 -0.0231 0.0097 993 SER 92 C 0.0141 -0.0217 0.0009 994 SER 92 O 0.0087 -0.0261 -0.0020 995 SER 92 CB 0.0152 -0.0292 0.0142 996 SER 92 OG 0.0188 -0.0303 0.0225 997 SER 92 H 0.0145 -0.0284 0.0119 998 SER 92 HA 0.0225 -0.0187 0.0111 999 SER 92 HB2 0.0106 -0.0336 0.0129 1000 SER 92 HB3 0.0151 -0.0281 0.0124 1001 SER 92 HG 0.0216 -0.0276 0.0231 1002 TYR 93 N -0.0096 0.0187 -0.0440 1003 TYR 93 CA -0.0042 0.0149 -0.0368 1004 TYR 93 C -0.0109 0.0223 -0.0543 1005 TYR 93 O -0.0238 0.0300 -0.0675 1006 TYR 93 CB -0.0174 0.0115 -0.0147 1007 TYR 93 CG -0.0111 0.0062 -0.0034 1008 TYR 93 CD1 0.0057 -0.0028 0.0104 1009 TYR 93 CD2 -0.0218 0.0102 -0.0066 1010 TYR 93 CE1 0.0117 -0.0077 0.0207 1011 TYR 93 CE2 -0.0159 0.0053 0.0037 1012 TYR 93 CZ 0.0008 -0.0036 0.0173 1013 TYR 93 OH 0.0068 -0.0085 0.0274 1014 TYR 93 H -0.0253 0.0232 -0.0447 1015 TYR 93 HA 0.0132 0.0096 -0.0350 1016 TYR 93 HB2 -0.0149 0.0074 -0.0037 1017 TYR 93 HB3 -0.0346 0.0171 -0.0173 1018 TYR 93 HD1 0.0142 -0.0060 0.0131 1019 TYR 93 HD2 -0.0349 0.0172 -0.0174 1020 TYR 93 HE1 0.0248 -0.0147 0.0315 1021 TYR 93 HE2 -0.0244 0.0085 0.0010 1022 TYR 93 HH 0.0087 -0.0055 0.0163 1023 VAL 94 N -0.0206 0.0190 -0.0241 1024 VAL 94 CA -0.0006 0.0137 0.0039 1025 VAL 94 C 0.0367 -0.0022 -0.0009 1026 VAL 94 O 0.0506 -0.0105 -0.0263 1027 VAL 94 CB -0.0097 0.0179 0.0089 1028 VAL 94 CG1 -0.0063 0.0130 -0.0249 1029 VAL 94 CG2 0.0108 0.0126 0.0395 1030 VAL 94 H -0.0352 0.0234 -0.0394 1031 VAL 94 HA -0.0062 0.0185 0.0279 1032 VAL 94 HB -0.0353 0.0291 0.0156 1033 VAL 94 HG11 -0.0128 0.0162 -0.0200 1034 VAL 94 HG12 0.0189 0.0018 -0.0330 1035 VAL 94 HG13 -0.0226 0.0176 -0.0455 1036 VAL 94 HG21 0.0367 0.0014 0.0341 1037 VAL 94 HG22 0.0042 0.0157 0.0423 1038 VAL 94 HG23 0.0061 0.0171 0.0638