1 ALA 8 N -0.0390 -0.0107 0.0112 2 ALA 8 CA -0.0473 -0.0093 0.0041 3 ALA 8 C -0.0373 0.0004 -0.0011 4 ALA 8 O -0.0441 0.0037 -0.0095 5 ALA 8 CB -0.0569 -0.0218 0.0132 6 ALA 8 HA -0.0548 -0.0063 -0.0042 7 ALA 8 HB1 -0.0623 -0.0206 0.0083 8 ALA 8 HB2 -0.0646 -0.0271 0.0148 9 ALA 8 HB3 -0.0496 -0.0251 0.0220 10 ASP 9 N -0.0061 0.0025 0.0085 11 ASP 9 CA -0.0022 0.0073 0.0067 12 ASP 9 C 0.0002 0.0055 0.0063 13 ASP 9 O 0.0049 0.0023 0.0056 14 ASP 9 CB 0.0029 0.0090 0.0050 15 ASP 9 CG 0.0058 0.0150 0.0032 16 ASP 9 OD1 0.0025 0.0191 0.0034 17 ASP 9 OD2 0.0112 0.0158 0.0017 18 ASP 9 H -0.0053 -0.0012 0.0089 19 ASP 9 HA -0.0049 0.0110 0.0067 20 ASP 9 HB2 0.0013 0.0094 0.0054 21 ASP 9 HB3 0.0061 0.0057 0.0047 22 PHE 10 N -0.0033 0.0017 0.0058 23 PHE 10 CA -0.0001 0.0017 0.0056 24 PHE 10 C 0.0026 0.0039 0.0033 25 PHE 10 O 0.0015 0.0061 0.0011 26 PHE 10 CB -0.0015 0.0024 0.0050 27 PHE 10 CG -0.0028 0.0000 0.0075 28 PHE 10 CD1 -0.0003 -0.0018 0.0093 29 PHE 10 CD2 -0.0066 -0.0003 0.0079 30 PHE 10 CE1 -0.0015 -0.0039 0.0115 31 PHE 10 CE2 -0.0078 -0.0024 0.0101 32 PHE 10 CZ -0.0052 -0.0042 0.0119 33 PHE 10 H -0.0052 0.0026 0.0049 34 PHE 10 HA 0.0012 0.0001 0.0073 35 PHE 10 HB2 -0.0036 0.0036 0.0038 36 PHE 10 HB3 0.0006 0.0031 0.0042 37 PHE 10 HD1 0.0023 -0.0016 0.0090 38 PHE 10 HD2 -0.0084 0.0009 0.0067 39 PHE 10 HE1 0.0003 -0.0051 0.0127 40 PHE 10 HE2 -0.0104 -0.0027 0.0104 41 PHE 10 HZ -0.0060 -0.0057 0.0134 42 ILE 11 N 0.0091 0.0005 0.0051 43 ILE 11 CA 0.0091 0.0001 0.0042 44 ILE 11 C 0.0076 -0.0021 0.0047 45 ILE 11 O 0.0070 -0.0036 0.0039 46 ILE 11 CB 0.0099 0.0003 0.0016 47 ILE 11 CG1 0.0113 0.0025 0.0011 48 ILE 11 CG2 0.0098 -0.0003 0.0007 49 ILE 11 CD1 0.0120 0.0042 0.0023 50 ILE 11 H 0.0087 -0.0004 0.0044 51 ILE 11 HA 0.0094 0.0011 0.0051 52 ILE 11 HB 0.0096 -0.0007 0.0007 53 ILE 11 HG12 0.0113 0.0028 0.0017 54 ILE 11 HG13 0.0118 0.0025 -0.0006 55 ILE 11 HG21 0.0105 0.0002 -0.0008 56 ILE 11 HG22 0.0090 -0.0018 0.0005 57 ILE 11 HG23 0.0099 0.0004 0.0019 58 ILE 11 HD11 0.0129 0.0056 0.0019 59 ILE 11 HD12 0.0120 0.0039 0.0017 60 ILE 11 HD13 0.0116 0.0042 0.0040 61 GLY 12 N 0.0063 -0.0013 0.0038 62 GLY 12 CA 0.0055 -0.0026 0.0041 63 GLY 12 C 0.0044 -0.0030 0.0028 64 GLY 12 O 0.0042 -0.0028 0.0022 65 GLY 12 H 0.0066 -0.0013 0.0043 66 GLY 12 HA2 0.0055 -0.0026 0.0042 67 GLY 12 HA3 0.0055 -0.0032 0.0049 68 ILE 13 N 0.0029 -0.0027 0.0012 69 ILE 13 CA 0.0027 -0.0029 0.0007 70 ILE 13 C 0.0020 -0.0032 0.0009 71 ILE 13 O 0.0017 -0.0034 0.0005 72 ILE 13 CB 0.0028 -0.0031 -0.0002 73 ILE 13 CG1 0.0024 -0.0033 -0.0003 74 ILE 13 CG2 0.0036 -0.0028 -0.0004 75 ILE 13 CD1 0.0023 -0.0035 -0.0012 76 ILE 13 H 0.0026 -0.0028 0.0012 77 ILE 13 HA 0.0030 -0.0028 0.0007 78 ILE 13 HB 0.0026 -0.0032 -0.0005 79 ILE 13 HG12 0.0026 -0.0032 -0.0001 80 ILE 13 HG13 0.0019 -0.0035 -0.0001 81 ILE 13 HG21 0.0037 -0.0029 -0.0010 82 ILE 13 HG22 0.0039 -0.0026 -0.0003 83 ILE 13 HG23 0.0038 -0.0026 -0.0001 84 ILE 13 HD11 0.0020 -0.0037 -0.0013 85 ILE 13 HD12 0.0021 -0.0036 -0.0014 86 ILE 13 HD13 0.0028 -0.0034 -0.0014 87 GLY 14 N -0.0034 0.0055 -0.0018 88 GLY 14 CA -0.0043 0.0061 -0.0015 89 GLY 14 C -0.0039 0.0064 -0.0023 90 GLY 14 O -0.0029 0.0063 -0.0032 91 GLY 14 H -0.0027 0.0051 -0.0020 92 GLY 14 HA2 -0.0045 0.0055 -0.0006 93 GLY 14 HA3 -0.0050 0.0068 -0.0015 94 LYS 15 N -0.0138 0.0108 -0.0079 95 LYS 15 CA -0.0047 0.0101 -0.0071 96 LYS 15 C 0.0015 0.0140 0.0018 97 LYS 15 O 0.0018 0.0157 0.0051 98 LYS 15 CB 0.0021 0.0052 -0.0150 99 LYS 15 CG -0.0022 0.0009 -0.0243 100 LYS 15 CD 0.0049 -0.0038 -0.0318 101 LYS 15 CE 0.0160 -0.0041 -0.0297 102 LYS 15 NZ 0.0228 -0.0087 -0.0371 103 LYS 15 H -0.0131 0.0091 -0.0111 104 LYS 15 HA -0.0068 0.0103 -0.0071 105 LYS 15 HB2 0.0033 0.0049 -0.0154 106 LYS 15 HB3 0.0086 0.0051 -0.0138 107 LYS 15 HG2 -0.0029 0.0010 -0.0243 108 LYS 15 HG3 -0.0087 0.0010 -0.0256 109 LYS 15 HD2 0.0025 -0.0065 -0.0375 110 LYS 15 HD3 0.0049 -0.0042 -0.0326 111 LYS 15 HE2 0.0186 -0.0014 -0.0241 112 LYS 15 HE3 0.0163 -0.0038 -0.0291 113 LYS 15 HZ1 0.0224 -0.0092 -0.0381 114 LYS 15 HZ2 0.0293 -0.0086 -0.0355 115 LYS 15 HZ3 0.0210 -0.0112 -0.0423 116 LEU 16 N 0.0002 0.0129 -0.0000 117 LEU 16 CA 0.0007 0.0123 0.0012 118 LEU 16 C 0.0012 0.0100 0.0002 119 LEU 16 O 0.0013 0.0097 -0.0001 120 LEU 16 CB 0.0014 0.0123 0.0038 121 LEU 16 CG 0.0021 0.0115 0.0053 122 LEU 16 CD1 0.0015 0.0134 0.0056 123 LEU 16 CD2 0.0029 0.0111 0.0078 124 LEU 16 H 0.0003 0.0132 0.0009 125 LEU 16 HA 0.0002 0.0135 0.0010 126 LEU 16 HB2 0.0011 0.0138 0.0044 127 LEU 16 HB3 0.0018 0.0112 0.0040 128 LEU 16 HG 0.0023 0.0102 0.0046 129 LEU 16 HD11 0.0019 0.0128 0.0065 130 LEU 16 HD12 0.0010 0.0137 0.0040 131 LEU 16 HD13 0.0012 0.0148 0.0064 132 LEU 16 HD21 0.0033 0.0104 0.0087 133 LEU 16 HD22 0.0026 0.0125 0.0086 134 LEU 16 HD23 0.0032 0.0099 0.0076 135 ASP 17 N 0.0010 0.0135 -0.0061 136 ASP 17 CA 0.0029 0.0113 -0.0070 137 ASP 17 C -0.0020 0.0110 -0.0094 138 ASP 17 O -0.0009 0.0095 -0.0101 139 ASP 17 CB 0.0075 0.0064 -0.0090 140 ASP 17 CG 0.0062 0.0032 -0.0121 141 ASP 17 OD1 0.0054 0.0048 -0.0112 142 ASP 17 OD2 0.0062 -0.0011 -0.0156 143 ASP 17 H 0.0012 0.0114 -0.0076 144 ASP 17 HA 0.0050 0.0134 -0.0044 145 ASP 17 HB2 0.0076 0.0046 -0.0104 146 ASP 17 HB3 0.0112 0.0071 -0.0069 147 ASP 18 N -0.0012 0.0132 -0.0090 148 ASP 18 CA -0.0028 0.0134 -0.0094 149 ASP 18 C -0.0033 0.0151 -0.0094 150 ASP 18 O -0.0046 0.0153 -0.0097 151 ASP 18 CB -0.0037 0.0133 -0.0097 152 ASP 18 CG -0.0036 0.0117 -0.0098 153 ASP 18 OD1 -0.0032 0.0105 -0.0098 154 ASP 18 OD2 -0.0039 0.0116 -0.0099 155 ASP 18 H -0.0008 0.0132 -0.0090 156 ASP 18 HA -0.0032 0.0126 -0.0096 157 ASP 18 HB2 -0.0033 0.0141 -0.0095 158 ASP 18 HB3 -0.0048 0.0135 -0.0099 159 PHE 19 N -0.0074 0.0111 -0.0067 160 PHE 19 CA -0.0071 0.0100 -0.0076 161 PHE 19 C -0.0085 0.0103 -0.0083 162 PHE 19 O -0.0096 0.0106 -0.0089 163 PHE 19 CB -0.0068 0.0088 -0.0084 164 PHE 19 CG -0.0054 0.0083 -0.0078 165 PHE 19 CD1 -0.0041 0.0077 -0.0074 166 PHE 19 CD2 -0.0054 0.0087 -0.0075 167 PHE 19 CE1 -0.0028 0.0074 -0.0067 168 PHE 19 CE2 -0.0041 0.0083 -0.0068 169 PHE 19 CZ -0.0028 0.0077 -0.0064 170 PHE 19 H -0.0080 0.0112 -0.0071 171 PHE 19 HA -0.0063 0.0099 -0.0071 172 PHE 19 HB2 -0.0075 0.0089 -0.0089 173 PHE 19 HB3 -0.0067 0.0081 -0.0090 174 PHE 19 HD1 -0.0041 0.0075 -0.0076 175 PHE 19 HD2 -0.0062 0.0091 -0.0077 176 PHE 19 HE1 -0.0020 0.0069 -0.0065 177 PHE 19 HE2 -0.0041 0.0085 -0.0066 178 PHE 19 HZ -0.0020 0.0075 -0.0060 179 PRO 20 N -0.0093 0.0100 -0.0168 180 PRO 20 CA -0.0096 0.0059 -0.0154 181 PRO 20 C -0.0122 0.0019 -0.0127 182 PRO 20 O -0.0119 0.0008 -0.0125 183 PRO 20 CB -0.0045 0.0038 -0.0174 184 PRO 20 CG -0.0018 0.0078 -0.0201 185 PRO 20 CD -0.0044 0.0103 -0.0195 186 PRO 20 HA -0.0111 0.0072 -0.0150 187 PRO 20 HB2 -0.0036 0.0007 -0.0169 188 PRO 20 HB3 -0.0041 0.0031 -0.0174 189 PRO 20 HG2 0.0013 0.0063 -0.0213 190 PRO 20 HG3 -0.0016 0.0102 -0.0210 191 PRO 20 HD2 -0.0036 0.0085 -0.0194 192 PRO 20 HD3 -0.0039 0.0137 -0.0209 193 VAL 21 N -0.0287 0.0033 -0.0044 194 VAL 21 CA -0.0294 0.0021 -0.0060 195 VAL 21 C -0.0291 -0.0000 -0.0110 196 VAL 21 O -0.0309 -0.0023 -0.0127 197 VAL 21 CB -0.0333 0.0001 -0.0032 198 VAL 21 CG1 -0.0345 -0.0018 -0.0054 199 VAL 21 CG2 -0.0332 0.0024 0.0016 200 VAL 21 H -0.0306 0.0027 -0.0024 201 VAL 21 HA -0.0274 0.0039 -0.0055 202 VAL 21 HB -0.0353 -0.0015 -0.0031 203 VAL 21 HG11 -0.0365 -0.0025 -0.0032 204 VAL 21 HG12 -0.0354 -0.0038 -0.0080 205 VAL 21 HG13 -0.0322 -0.0005 -0.0064 206 VAL 21 HG21 -0.0357 0.0012 0.0033 207 VAL 21 HG22 -0.0312 0.0040 0.0016 208 VAL 21 HG23 -0.0326 0.0035 0.0029 209 GLY 22 N -0.0182 0.0056 -0.0028 210 GLY 22 CA -0.0146 -0.0006 -0.0018 211 GLY 22 C -0.0075 -0.0003 -0.0027 212 GLY 22 O -0.0040 -0.0055 -0.0019 213 GLY 22 H -0.0210 0.0064 -0.0027 214 GLY 22 HA2 -0.0171 -0.0034 -0.0009 215 GLY 22 HA3 -0.0144 -0.0026 -0.0014 216 ILE 23 N 0.0015 -0.0088 -0.0078 217 ILE 23 CA 0.0051 -0.0083 -0.0095 218 ILE 23 C -0.0006 -0.0064 -0.0113 219 ILE 23 O -0.0035 -0.0029 -0.0163 220 ILE 23 CB 0.0111 -0.0059 -0.0148 221 ILE 23 CG1 0.0166 -0.0080 -0.0127 222 ILE 23 CG2 0.0145 -0.0051 -0.0168 223 ILE 23 CD1 0.0235 -0.0064 -0.0169 224 ILE 23 H -0.0008 -0.0067 -0.0108 225 ILE 23 HA 0.0074 -0.0109 -0.0058 226 ILE 23 HB 0.0089 -0.0033 -0.0185 227 ILE 23 HG12 0.0179 -0.0107 -0.0085 228 ILE 23 HG13 0.0144 -0.0077 -0.0126 229 ILE 23 HG21 0.0183 -0.0036 -0.0201 230 ILE 23 HG22 0.0108 -0.0037 -0.0183 231 ILE 23 HG23 0.0166 -0.0076 -0.0132 232 ILE 23 HD11 0.0262 -0.0074 -0.0158 233 ILE 23 HD12 0.0223 -0.0035 -0.0212 234 ILE 23 HD13 0.0264 -0.0071 -0.0163 235 PRO 24 N 0.0050 -0.0087 -0.0052 236 PRO 24 CA 0.0022 -0.0083 -0.0059 237 PRO 24 C 0.0028 -0.0073 -0.0086 238 PRO 24 O 0.0055 -0.0073 -0.0089 239 PRO 24 CB 0.0016 -0.0095 -0.0030 240 PRO 24 CG 0.0030 -0.0105 -0.0006 241 PRO 24 CD 0.0060 -0.0100 -0.0021 242 PRO 24 HA 0.0003 -0.0081 -0.0063 243 PRO 24 HB2 0.0027 -0.0094 -0.0032 244 PRO 24 HB3 -0.0007 -0.0095 -0.0027 245 PRO 24 HG2 0.0035 -0.0112 0.0011 246 PRO 24 HG3 0.0014 -0.0107 -0.0000 247 PRO 24 HD2 0.0078 -0.0101 -0.0019 248 PRO 24 HD3 0.0065 -0.0104 -0.0011 249 LYS 25 N -0.0004 -0.0066 -0.0134 250 LYS 25 CA 0.0015 -0.0031 -0.0174 251 LYS 25 C -0.0022 -0.0023 -0.0177 252 LYS 25 O -0.0075 -0.0025 -0.0166 253 LYS 25 CB 0.0008 0.0007 -0.0214 254 LYS 25 CG 0.0052 0.0007 -0.0220 255 LYS 25 CD 0.0115 0.0004 -0.0227 256 LYS 25 CE 0.0161 -0.0010 -0.0220 257 LYS 25 NZ 0.0202 0.0020 -0.0259 258 LYS 25 H -0.0041 -0.0064 -0.0130 259 LYS 25 HA 0.0056 -0.0038 -0.0174 260 LYS 25 HB2 -0.0031 0.0010 -0.0211 261 LYS 25 HB3 0.0013 0.0030 -0.0239 262 LYS 25 HG2 0.0048 -0.0017 -0.0195 263 LYS 25 HG3 0.0044 0.0031 -0.0245 264 LYS 25 HD2 0.0122 0.0030 -0.0257 265 LYS 25 HD3 0.0119 -0.0016 -0.0208 266 LYS 25 HE2 0.0184 -0.0035 -0.0197 267 LYS 25 HE3 0.0142 -0.0016 -0.0211 268 LYS 25 HZ1 0.0228 0.0011 -0.0253 269 LYS 25 HZ2 0.0182 0.0043 -0.0280 270 LYS 25 HZ3 0.0221 0.0026 -0.0268 271 LYS 26 N -0.0024 -0.0136 -0.0151 272 LYS 26 CA -0.0047 -0.0101 -0.0163 273 LYS 26 C -0.0054 -0.0096 -0.0184 274 LYS 26 O -0.0047 -0.0117 -0.0211 275 LYS 26 CB -0.0054 -0.0098 -0.0190 276 LYS 26 CG -0.0076 -0.0062 -0.0201 277 LYS 26 CD -0.0079 -0.0061 -0.0213 278 LYS 26 CE -0.0068 -0.0092 -0.0241 279 LYS 26 NZ -0.0080 -0.0080 -0.0268 280 LYS 26 H -0.0019 -0.0152 -0.0170 281 LYS 26 HA -0.0052 -0.0082 -0.0141 282 LYS 26 HB2 -0.0046 -0.0106 -0.0177 283 LYS 26 HB3 -0.0051 -0.0112 -0.0215 284 LYS 26 HG2 -0.0084 -0.0057 -0.0223 285 LYS 26 HG3 -0.0081 -0.0045 -0.0179 286 LYS 26 HD2 -0.0094 -0.0040 -0.0227 287 LYS 26 HD3 -0.0075 -0.0059 -0.0190 288 LYS 26 HE2 -0.0054 -0.0110 -0.0226 289 LYS 26 HE3 -0.0065 -0.0103 -0.0257 290 LYS 26 HZ1 -0.0087 -0.0062 -0.0255 291 LYS 26 HZ2 -0.0072 -0.0097 -0.0274 292 LYS 26 HZ3 -0.0088 -0.0073 -0.0290 293 VAL 27 N -0.0022 -0.0051 -0.0132 294 VAL 27 CA -0.0023 -0.0047 -0.0134 295 VAL 27 C -0.0025 -0.0036 -0.0135 296 VAL 27 O -0.0026 -0.0031 -0.0132 297 VAL 27 CB -0.0021 -0.0050 -0.0125 298 VAL 27 CG1 -0.0018 -0.0061 -0.0123 299 VAL 27 CG2 -0.0021 -0.0045 -0.0115 300 VAL 27 H -0.0022 -0.0047 -0.0128 301 VAL 27 HA -0.0023 -0.0050 -0.0140 302 VAL 27 HB -0.0022 -0.0047 -0.0126 303 VAL 27 HG11 -0.0018 -0.0063 -0.0118 304 VAL 27 HG12 -0.0019 -0.0064 -0.0130 305 VAL 27 HG13 -0.0018 -0.0063 -0.0121 306 VAL 27 HG21 -0.0020 -0.0047 -0.0109 307 VAL 27 HG22 -0.0021 -0.0046 -0.0114 308 VAL 27 HG23 -0.0022 -0.0037 -0.0116 309 ALA 28 N -0.0030 -0.0104 -0.0159 310 ALA 28 CA -0.0044 -0.0072 -0.0164 311 ALA 28 C -0.0012 -0.0057 -0.0133 312 ALA 28 O 0.0018 -0.0085 -0.0113 313 ALA 28 CB -0.0068 -0.0098 -0.0190 314 ALA 28 H -0.0033 -0.0134 -0.0168 315 ALA 28 HA -0.0059 -0.0043 -0.0170 316 ALA 28 HB1 -0.0077 -0.0077 -0.0193 317 ALA 28 HB2 -0.0089 -0.0108 -0.0210 318 ALA 28 HB3 -0.0052 -0.0127 -0.0183 319 VAL 29 N 0.0007 -0.0058 -0.0098 320 VAL 29 CA 0.0020 -0.0042 -0.0074 321 VAL 29 C 0.0018 -0.0022 -0.0084 322 VAL 29 O 0.0012 -0.0002 -0.0102 323 VAL 29 CB 0.0028 -0.0023 -0.0063 324 VAL 29 CG1 0.0041 -0.0007 -0.0037 325 VAL 29 CG2 0.0028 -0.0041 -0.0056 326 VAL 29 H 0.0002 -0.0047 -0.0112 327 VAL 29 HA 0.0025 -0.0056 -0.0059 328 VAL 29 HB 0.0023 -0.0007 -0.0077 329 VAL 29 HG11 0.0047 0.0003 -0.0028 330 VAL 29 HG12 0.0041 0.0008 -0.0042 331 VAL 29 HG13 0.0045 -0.0022 -0.0024 332 VAL 29 HG21 0.0034 -0.0029 -0.0047 333 VAL 29 HG22 0.0032 -0.0058 -0.0044 334 VAL 29 HG23 0.0020 -0.0049 -0.0073 335 THR 30 N -0.0020 -0.0022 -0.0097 336 THR 30 CA -0.0060 -0.0002 -0.0146 337 THR 30 C -0.0015 0.0039 -0.0083 338 THR 30 O 0.0031 -0.0023 -0.0032 339 THR 30 CB -0.0090 -0.0109 -0.0197 340 THR 30 OG1 -0.0036 -0.0196 -0.0139 341 THR 30 CG2 -0.0142 -0.0141 -0.0267 342 THR 30 H 0.0017 -0.0063 -0.0055 343 THR 30 HA -0.0097 0.0055 -0.0186 344 THR 30 HB -0.0112 -0.0097 -0.0224 345 THR 30 HG1 -0.0010 -0.0184 -0.0105 346 THR 30 HG21 -0.0165 -0.0202 -0.0304 347 THR 30 HG22 -0.0176 -0.0080 -0.0303 348 THR 30 HG23 -0.0119 -0.0163 -0.0240 349 SER 31 N -0.0023 0.0087 -0.0103 350 SER 31 CA 0.0025 0.0083 -0.0084 351 SER 31 C 0.0016 0.0046 -0.0066 352 SER 31 O -0.0023 0.0042 -0.0077 353 SER 31 CB 0.0050 0.0130 -0.0101 354 SER 31 OG 0.0094 0.0125 -0.0083 355 SER 31 H -0.0036 0.0110 -0.0121 356 SER 31 HA 0.0049 0.0074 -0.0070 357 SER 31 HB2 0.0059 0.0152 -0.0111 358 SER 31 HB3 0.0026 0.0141 -0.0116 359 SER 31 HG 0.0107 0.0151 -0.0093 360 SER 32 N -0.0016 -0.0087 -0.0050 361 SER 32 CA -0.0018 -0.0205 0.0027 362 SER 32 C 0.0050 -0.0068 -0.0026 363 SER 32 O 0.0004 -0.0141 -0.0004 364 SER 32 CB 0.0130 -0.0347 0.0202 365 SER 32 OG 0.0337 -0.0238 0.0245 366 SER 32 H 0.0087 -0.0089 0.0008 367 SER 32 HA -0.0162 -0.0289 0.0002 368 SER 32 HB2 0.0145 -0.0408 0.0251 369 SER 32 HB3 0.0066 -0.0453 0.0236 370 SER 32 HG 0.0412 -0.0320 0.0341 371 LYS 33 N 0.0083 -0.0024 -0.0074 372 LYS 33 CA 0.0090 0.0045 -0.0084 373 LYS 33 C 0.0032 0.0067 -0.0149 374 LYS 33 O -0.0007 0.0059 -0.0187 375 LYS 33 CB 0.0129 0.0114 -0.0062 376 LYS 33 CG 0.0193 0.0104 0.0004 377 LYS 33 CD 0.0227 0.0157 0.0026 378 LYS 33 CE 0.0292 0.0157 0.0091 379 LYS 33 NZ 0.0324 0.0174 0.0119 380 LYS 33 H 0.0094 -0.0013 -0.0065 381 LYS 33 HA 0.0107 0.0033 -0.0064 382 LYS 33 HB2 0.0117 0.0119 -0.0076 383 LYS 33 HB3 0.0127 0.0162 -0.0077 384 LYS 33 HG2 0.0210 0.0118 0.0018 385 LYS 33 HG3 0.0195 0.0050 0.0021 386 LYS 33 HD2 0.0216 0.0137 0.0019 387 LYS 33 HD3 0.0221 0.0210 0.0005 388 LYS 33 HE2 0.0308 0.0197 0.0097 389 LYS 33 HE3 0.0297 0.0105 0.0110 390 LYS 33 HZ1 0.0361 0.0173 0.0157 391 LYS 33 HZ2 0.0310 0.0138 0.0114 392 LYS 33 HZ3 0.0320 0.0222 0.0103 393 MET 34 N 0.0055 -0.0022 -0.0002 394 MET 34 CA 0.0002 -0.0036 0.0051 395 MET 34 C -0.0008 -0.0051 0.0062 396 MET 34 O -0.0050 -0.0075 0.0104 397 MET 34 CB -0.0015 -0.0098 0.0072 398 MET 34 CG -0.0017 -0.0083 0.0072 399 MET 34 SD -0.0077 -0.0043 0.0129 400 MET 34 CE -0.0069 0.0049 0.0115 401 MET 34 H 0.0076 -0.0057 -0.0020 402 MET 34 HA -0.0019 0.0006 0.0069 403 MET 34 HB2 0.0009 -0.0139 0.0051 404 MET 34 HB3 -0.0049 -0.0110 0.0106 405 MET 34 HG2 0.0010 -0.0051 0.0044 406 MET 34 HG3 -0.0011 -0.0128 0.0069 407 MET 34 HE1 -0.0093 0.0078 0.0136 408 MET 34 HE2 -0.0076 0.0057 0.0121 409 MET 34 HE3 -0.0034 0.0061 0.0080 410 ASP 35 N -0.0023 -0.0107 0.0005 411 ASP 35 CA -0.0036 -0.0174 0.0036 412 ASP 35 C -0.0056 -0.0099 0.0113 413 ASP 35 O -0.0052 0.0011 0.0119 414 ASP 35 CB -0.0006 -0.0212 -0.0070 415 ASP 35 CG 0.0020 -0.0109 -0.0136 416 ASP 35 OD1 0.0041 -0.0052 -0.0191 417 ASP 35 OD2 0.0020 -0.0078 -0.0129 418 ASP 35 H -0.0001 -0.0083 -0.0064 419 ASP 35 HA -0.0053 -0.0244 0.0076 420 ASP 35 HB2 -0.0015 -0.0258 -0.0048 421 ASP 35 HB3 0.0007 -0.0259 -0.0118 422 ALA 36 N -0.0050 -0.0419 0.0060 423 ALA 36 CA 0.0002 -0.0394 0.0292 424 ALA 36 C -0.0126 -0.0187 0.0028 425 ALA 36 O -0.0163 0.0096 0.0206 426 ALA 36 CB 0.0165 -0.0852 0.0408 427 ALA 36 H 0.0018 -0.0678 0.0028 428 ALA 36 HA 0.0016 -0.0209 0.0560 429 ALA 36 HB1 0.0199 -0.0835 0.0561 430 ALA 36 HB2 0.0246 -0.0965 0.0596 431 ALA 36 HB3 0.0151 -0.1038 0.0139 432 TRP 37 N -0.0067 -0.0005 -0.0042 433 TRP 37 CA -0.0051 0.0027 -0.0041 434 TRP 37 C -0.0035 0.0042 -0.0048 435 TRP 37 O -0.0033 0.0070 -0.0037 436 TRP 37 CB -0.0033 0.0027 -0.0058 437 TRP 37 CG -0.0016 0.0060 -0.0057 438 TRP 37 CD1 -0.0022 0.0079 -0.0042 439 TRP 37 CD2 0.0009 0.0077 -0.0072 440 TRP 37 NE1 -0.0002 0.0107 -0.0046 441 TRP 37 CE2 0.0017 0.0106 -0.0065 442 TRP 37 CE3 0.0025 0.0070 -0.0091 443 TRP 37 CZ2 0.0040 0.0129 -0.0075 444 TRP 37 CZ3 0.0049 0.0092 -0.0101 445 TRP 37 CH2 0.0056 0.0121 -0.0094 446 TRP 37 H -0.0065 -0.0019 -0.0052 447 TRP 37 HA -0.0063 0.0039 -0.0024 448 TRP 37 HB2 -0.0043 0.0018 -0.0053 449 TRP 37 HB3 -0.0022 0.0015 -0.0074 450 TRP 37 HD1 -0.0037 0.0075 -0.0030 451 TRP 37 HE1 -0.0002 0.0123 -0.0039 452 TRP 37 HE3 0.0020 0.0051 -0.0096 453 TRP 37 HZ2 0.0045 0.0148 -0.0070 454 TRP 37 HZ3 0.0060 0.0088 -0.0114 455 TRP 37 HH2 0.0072 0.0136 -0.0101 456 ASN 38 N -0.0050 0.0164 -0.0111 457 ASN 38 CA -0.0062 0.0186 -0.0111 458 ASN 38 C -0.0117 0.0195 -0.0069 459 ASN 38 O -0.0139 0.0237 -0.0070 460 ASN 38 CB -0.0030 0.0144 -0.0118 461 ASN 38 CG 0.0018 0.0160 -0.0165 462 ASN 38 OD1 0.0017 0.0205 -0.0186 463 ASN 38 ND2 0.0060 0.0122 -0.0183 464 ASN 38 H -0.0031 0.0128 -0.0110 465 ASN 38 HA -0.0055 0.0224 -0.0135 466 ASN 38 HB2 -0.0021 0.0104 -0.0107 467 ASN 38 HB3 -0.0049 0.0145 -0.0103 468 ASN 38 HD21 0.0088 0.0129 -0.0210 469 ASN 38 HD22 0.0059 0.0091 -0.0167 470 ILE 39 N -0.0104 0.0175 -0.0048 471 ILE 39 CA -0.0110 0.0231 0.0057 472 ILE 39 C -0.0122 0.0229 0.0022 473 ILE 39 O -0.0174 0.0305 0.0049 474 ILE 39 CB -0.0030 0.0186 0.0170 475 ILE 39 CG1 -0.0023 0.0195 0.0210 476 ILE 39 CG2 -0.0037 0.0242 0.0273 477 ILE 39 CD1 0.0064 0.0135 0.0306 478 ILE 39 H -0.0056 0.0122 -0.0037 479 ILE 39 HA -0.0158 0.0300 0.0078 480 ILE 39 HB 0.0021 0.0115 0.0149 481 ILE 39 HG12 -0.0067 0.0266 0.0245 482 ILE 39 HG13 -0.0029 0.0171 0.0139 483 ILE 39 HG21 0.0007 0.0223 0.0348 484 ILE 39 HG22 -0.0029 0.0223 0.0252 485 ILE 39 HG23 -0.0093 0.0314 0.0281 486 ILE 39 HD11 0.0067 0.0138 0.0321 487 ILE 39 HD12 0.0110 0.0065 0.0276 488 ILE 39 HD13 0.0069 0.0164 0.0381 489 PHE 40 N -0.0240 0.0067 -0.0134 490 PHE 40 CA -0.0241 0.0102 -0.0074 491 PHE 40 C -0.0145 0.0087 -0.0008 492 PHE 40 O -0.0109 0.0072 0.0001 493 PHE 40 CB -0.0314 0.0174 -0.0021 494 PHE 40 CG -0.0318 0.0218 0.0050 495 PHE 40 CD1 -0.0374 0.0236 0.0028 496 PHE 40 CD2 -0.0268 0.0242 0.0139 497 PHE 40 CE1 -0.0378 0.0277 0.0093 498 PHE 40 CE2 -0.0273 0.0283 0.0204 499 PHE 40 CZ -0.0331 0.0301 0.0180 500 PHE 40 H -0.0277 0.0091 -0.0128 501 PHE 40 HA -0.0256 0.0091 -0.0108 502 PHE 40 HB2 -0.0375 0.0183 -0.0064 503 PHE 40 HB3 -0.0299 0.0183 0.0009 504 PHE 40 HD1 -0.0408 0.0220 -0.0033 505 PHE 40 HD2 -0.0231 0.0231 0.0155 506 PHE 40 HE1 -0.0413 0.0288 0.0078 507 PHE 40 HE2 -0.0238 0.0299 0.0265 508 PHE 40 HZ -0.0337 0.0331 0.0226 509 GLU 41 N -0.0128 0.0055 -0.0033 510 GLU 41 CA -0.0113 0.0037 -0.0011 511 GLU 41 C -0.0071 0.0045 -0.0033 512 GLU 41 O -0.0042 0.0027 -0.0014 513 GLU 41 CB -0.0155 0.0038 -0.0003 514 GLU 41 CG -0.0160 0.0009 0.0039 515 GLU 41 CD -0.0172 -0.0012 0.0071 516 GLU 41 OE1 -0.0184 -0.0002 0.0060 517 GLU 41 OE2 -0.0170 -0.0037 0.0106 518 GLU 41 H -0.0156 0.0065 -0.0041 519 GLU 41 HA -0.0104 0.0018 0.0014 520 GLU 41 HB2 -0.0184 0.0045 -0.0007 521 GLU 41 HB3 -0.0151 0.0050 -0.0021 522 GLU 41 HG2 -0.0185 0.0011 0.0041 523 GLU 41 HG3 -0.0130 -0.0000 0.0045 524 GLY 42 N -0.0127 0.0133 -0.0064 525 GLY 42 CA -0.0063 0.0141 -0.0099 526 GLY 42 C 0.0047 0.0094 -0.0125 527 GLY 42 O 0.0100 0.0061 -0.0131 528 GLY 42 H -0.0152 0.0188 -0.0083 529 GLY 42 HA2 -0.0088 0.0109 -0.0070 530 GLY 42 HA3 -0.0068 0.0210 -0.0135 531 LEU 43 N 0.0159 0.0034 -0.0171 532 LEU 43 CA 0.0285 0.0007 -0.0134 533 LEU 43 C 0.0346 -0.0062 0.0052 534 LEU 43 O 0.0493 -0.0090 0.0085 535 LEU 43 CB 0.0193 0.0029 -0.0167 536 LEU 43 CG 0.0146 0.0097 -0.0355 537 LEU 43 CD1 0.0008 0.0115 -0.0363 538 LEU 43 CD2 0.0319 0.0114 -0.0460 539 LEU 43 H 0.0047 0.0046 -0.0170 540 LEU 43 HA 0.0392 0.0021 -0.0210 541 LEU 43 HB2 0.0080 0.0018 -0.0099 542 LEU 43 HB3 0.0273 0.0008 -0.0132 543 LEU 43 HG 0.0093 0.0120 -0.0405 544 LEU 43 HD11 -0.0018 0.0159 -0.0483 545 LEU 43 HD12 -0.0102 0.0106 -0.0299 546 LEU 43 HD13 0.0058 0.0092 -0.0311 547 LEU 43 HD21 0.0288 0.0157 -0.0578 548 LEU 43 HD22 0.0373 0.0090 -0.0408 549 LEU 43 HD23 0.0404 0.0104 -0.0458 550 VAL 44 N 0.0202 -0.0048 0.0099 551 VAL 44 CA 0.0214 -0.0175 0.0157 552 VAL 44 C 0.0145 -0.0176 0.0142 553 VAL 44 O 0.0204 -0.0224 0.0176 554 VAL 44 CB 0.0153 -0.0295 0.0195 555 VAL 44 CG1 0.0008 -0.0270 0.0152 556 VAL 44 CG2 0.0143 -0.0423 0.0249 557 VAL 44 H 0.0120 -0.0040 0.0077 558 VAL 44 HA 0.0314 -0.0185 0.0184 559 VAL 44 HB 0.0216 -0.0306 0.0214 560 VAL 44 HG11 -0.0051 -0.0354 0.0176 561 VAL 44 HG12 0.0020 -0.0234 0.0139 562 VAL 44 HG13 -0.0035 -0.0206 0.0115 563 VAL 44 HG21 0.0133 -0.0500 0.0280 564 VAL 44 HG22 0.0061 -0.0424 0.0231 565 VAL 44 HG23 0.0230 -0.0426 0.0269 566 VAL 44 N 0.0200 -0.0047 0.0098 567 VAL 44 CA 0.0211 -0.0176 0.0156 568 VAL 44 C 0.0138 -0.0187 0.0145 569 VAL 44 O 0.0185 -0.0258 0.0187 570 VAL 44 CB 0.0157 -0.0295 0.0196 571 VAL 44 CG1 0.0247 -0.0299 0.0218 572 VAL 44 CG2 -0.0001 -0.0290 0.0159 573 VAL 44 H 0.0118 -0.0036 0.0075 574 VAL 44 HA 0.0311 -0.0184 0.0182 575 VAL 44 HB 0.0167 -0.0377 0.0234 576 VAL 44 HG11 0.0278 -0.0388 0.0264 577 VAL 44 HG12 0.0328 -0.0234 0.0208 578 VAL 44 HG13 0.0189 -0.0279 0.0196 579 VAL 44 HG21 -0.0023 -0.0339 0.0175 580 VAL 44 HG22 -0.0021 -0.0198 0.0115 581 VAL 44 HG23 -0.0057 -0.0331 0.0165 582 MET 45 N -0.0027 -0.0119 0.0025 583 MET 45 CA -0.0037 -0.0097 -0.0007 584 MET 45 C -0.0041 -0.0069 -0.0017 585 MET 45 O -0.0050 -0.0069 -0.0048 586 MET 45 CB -0.0046 -0.0122 -0.0040 587 MET 45 CG -0.0043 -0.0151 -0.0036 588 MET 45 SD -0.0046 -0.0134 -0.0044 589 MET 45 CE -0.0061 -0.0127 -0.0092 590 MET 45 H -0.0027 -0.0133 0.0022 591 MET 45 HA -0.0036 -0.0083 -0.0000 592 MET 45 HB2 -0.0047 -0.0137 -0.0046 593 MET 45 HB3 -0.0053 -0.0106 -0.0061 594 MET 45 HG2 -0.0036 -0.0161 -0.0011 595 MET 45 HG3 -0.0048 -0.0172 -0.0053 596 MET 45 HE1 -0.0063 -0.0119 -0.0099 597 MET 45 HE2 -0.0064 -0.0151 -0.0105 598 MET 45 HE3 -0.0064 -0.0108 -0.0099 599 GLY 46 N -0.0006 -0.0053 -0.0041 600 GLY 46 CA -0.0004 -0.0027 -0.0058 601 GLY 46 C 0.0008 -0.0019 -0.0061 602 GLY 46 O 0.0013 0.0003 -0.0075 603 GLY 46 H 0.0011 -0.0059 -0.0034 604 GLY 46 HA2 -0.0023 -0.0021 -0.0065 605 GLY 46 HA3 0.0009 -0.0019 -0.0061 606 SER 47 N -0.0062 -0.0022 -0.0108 607 SER 47 CA -0.0058 -0.0036 -0.0105 608 SER 47 C -0.0053 -0.0033 -0.0096 609 SER 47 O -0.0053 -0.0021 -0.0094 610 SER 47 CB -0.0065 -0.0044 -0.0117 611 SER 47 OG -0.0070 -0.0034 -0.0124 612 SER 47 H -0.0062 -0.0015 -0.0107 613 SER 47 HA -0.0055 -0.0042 -0.0102 614 SER 47 HB2 -0.0063 -0.0052 -0.0115 615 SER 47 HB3 -0.0068 -0.0047 -0.0122 616 SER 47 HG -0.0075 -0.0035 -0.0131 617 VAL 48 N -0.0031 -0.0058 -0.0087 618 VAL 48 CA -0.0027 -0.0058 -0.0082 619 VAL 48 C -0.0029 -0.0068 -0.0082 620 VAL 48 O -0.0032 -0.0077 -0.0084 621 VAL 48 CB -0.0020 -0.0056 -0.0072 622 VAL 48 CG1 -0.0018 -0.0045 -0.0071 623 VAL 48 CG2 -0.0019 -0.0066 -0.0067 624 VAL 48 H -0.0032 -0.0065 -0.0087 625 VAL 48 HA -0.0028 -0.0051 -0.0084 626 VAL 48 HB -0.0017 -0.0056 -0.0068 627 VAL 48 HG11 -0.0013 -0.0044 -0.0065 628 VAL 48 HG12 -0.0018 -0.0039 -0.0073 629 VAL 48 HG13 -0.0020 -0.0045 -0.0074 630 VAL 48 HG21 -0.0014 -0.0064 -0.0061 631 VAL 48 HG22 -0.0022 -0.0066 -0.0071 632 VAL 48 HG23 -0.0020 -0.0072 -0.0067 633 TRP 49 N -0.0050 -0.0058 -0.0072 634 TRP 49 CA -0.0031 -0.0063 -0.0068 635 TRP 49 C -0.0023 -0.0065 -0.0066 636 TRP 49 O -0.0030 -0.0060 -0.0055 637 TRP 49 CB -0.0026 -0.0060 -0.0051 638 TRP 49 CG -0.0027 -0.0060 -0.0053 639 TRP 49 CD1 -0.0040 -0.0054 -0.0045 640 TRP 49 CD2 -0.0016 -0.0066 -0.0062 641 TRP 49 NE1 -0.0037 -0.0056 -0.0050 642 TRP 49 CE2 -0.0022 -0.0064 -0.0060 643 TRP 49 CE3 -0.0001 -0.0073 -0.0072 644 TRP 49 CZ2 -0.0014 -0.0068 -0.0068 645 TRP 49 CZ3 0.0008 -0.0078 -0.0079 646 TRP 49 CH2 0.0001 -0.0075 -0.0077 647 TRP 49 H -0.0055 -0.0054 -0.0062 648 TRP 49 HA -0.0026 -0.0067 -0.0078 649 TRP 49 HB2 -0.0033 -0.0055 -0.0042 650 TRP 49 HB3 -0.0013 -0.0063 -0.0047 651 TRP 49 HD1 -0.0049 -0.0050 -0.0038 652 TRP 49 HE1 -0.0043 -0.0054 -0.0048 653 TRP 49 HE3 0.0004 -0.0075 -0.0073 654 TRP 49 HZ2 -0.0018 -0.0067 -0.0067 655 TRP 49 HZ3 0.0018 -0.0083 -0.0085 656 TRP 49 HH2 0.0007 -0.0079 -0.0082 657 VAL 50 N -0.0016 -0.0017 -0.0062 658 VAL 50 CA -0.0024 -0.0016 -0.0056 659 VAL 50 C -0.0035 -0.0021 -0.0059 660 VAL 50 O -0.0039 -0.0021 -0.0058 661 VAL 50 CB -0.0025 -0.0009 -0.0045 662 VAL 50 CG1 -0.0033 -0.0008 -0.0040 663 VAL 50 CG2 -0.0013 -0.0004 -0.0042 664 VAL 50 H -0.0017 -0.0016 -0.0060 665 VAL 50 HA -0.0022 -0.0017 -0.0058 666 VAL 50 HB -0.0027 -0.0009 -0.0044 667 VAL 50 HG11 -0.0032 -0.0004 -0.0033 668 VAL 50 HG12 -0.0040 -0.0011 -0.0041 669 VAL 50 HG13 -0.0031 -0.0009 -0.0043 670 VAL 50 HG21 -0.0014 -0.0000 -0.0036 671 VAL 50 HG22 -0.0010 -0.0005 -0.0045 672 VAL 50 HG23 -0.0008 -0.0005 -0.0045 673 ILE 51 N -0.0040 0.0018 -0.0037 674 ILE 51 CA -0.0050 0.0012 -0.0040 675 ILE 51 C -0.0077 0.0021 -0.0043 676 ILE 51 O -0.0093 0.0009 -0.0047 677 ILE 51 CB -0.0049 -0.0015 -0.0042 678 ILE 51 CG1 -0.0023 -0.0026 -0.0039 679 ILE 51 CG2 -0.0055 -0.0018 -0.0044 680 ILE 51 CD1 -0.0022 -0.0043 -0.0041 681 ILE 51 H -0.0048 0.0012 -0.0039 682 ILE 51 HA -0.0042 0.0022 -0.0037 683 ILE 51 HB -0.0060 -0.0023 -0.0045 684 ILE 51 HG12 -0.0018 -0.0035 -0.0039 685 ILE 51 HG13 -0.0012 -0.0013 -0.0036 686 ILE 51 HG21 -0.0054 -0.0036 -0.0045 687 ILE 51 HG22 -0.0072 -0.0012 -0.0046 688 ILE 51 HG23 -0.0044 -0.0009 -0.0041 689 ILE 51 HD11 -0.0006 -0.0049 -0.0039 690 ILE 51 HD12 -0.0027 -0.0034 -0.0041 691 ILE 51 HD13 -0.0033 -0.0057 -0.0044 692 ARG 52 N -0.0119 0.0098 -0.0056 693 ARG 52 CA -0.0115 0.0085 -0.0013 694 ARG 52 C -0.0120 0.0060 -0.0003 695 ARG 52 O -0.0130 0.0035 -0.0027 696 ARG 52 CB -0.0120 0.0059 -0.0005 697 ARG 52 CG -0.0117 0.0043 0.0039 698 ARG 52 CD -0.0125 0.0014 0.0039 699 ARG 52 NE -0.0123 -0.0006 0.0079 700 ARG 52 CZ -0.0129 -0.0032 0.0086 701 ARG 52 NH1 -0.0137 -0.0043 0.0056 702 ARG 52 NH2 -0.0127 -0.0048 0.0123 703 ARG 52 H -0.0125 0.0084 -0.0072 704 ARG 52 HA -0.0106 0.0108 0.0004 705 ARG 52 HB2 -0.0117 0.0076 -0.0012 706 ARG 52 HB3 -0.0129 0.0036 -0.0022 707 ARG 52 HG2 -0.0119 0.0028 0.0049 708 ARG 52 HG3 -0.0108 0.0064 0.0057 709 ARG 52 HD2 -0.0123 0.0028 0.0030 710 ARG 52 HD3 -0.0134 -0.0007 0.0020 711 ARG 52 HE -0.0118 0.0001 0.0099 712 ARG 52 HH11 -0.0138 -0.0033 0.0032 713 ARG 52 HH12 -0.0140 -0.0061 0.0061 714 ARG 52 HH21 -0.0121 -0.0041 0.0143 715 ARG 52 HH22 -0.0130 -0.0066 0.0128 716 GLN 53 N -0.0164 0.0114 0.0040 717 GLN 53 CA -0.0186 0.0118 0.0007 718 GLN 53 C -0.0219 0.0112 0.0033 719 GLN 53 O -0.0215 0.0106 0.0075 720 GLN 53 CB -0.0149 0.0124 -0.0019 721 GLN 53 CG -0.0107 0.0129 -0.0036 722 GLN 53 CD -0.0122 0.0134 -0.0075 723 GLN 53 OE1 -0.0147 0.0138 -0.0106 724 GLN 53 NE2 -0.0107 0.0135 -0.0073 725 GLN 53 H -0.0140 0.0113 0.0054 726 GLN 53 HA -0.0205 0.0121 -0.0016 727 GLN 53 HB2 -0.0136 0.0122 0.0001 728 GLN 53 HB3 -0.0163 0.0128 -0.0046 729 GLN 53 HG2 -0.0096 0.0125 -0.0011 730 GLN 53 HG3 -0.0082 0.0132 -0.0047 731 GLN 53 HE21 -0.0090 0.0132 -0.0050 732 GLN 53 HE22 -0.0114 0.0138 -0.0094 733 LYS 54 N -0.0422 -0.0080 0.0072 734 LYS 54 CA -0.0448 0.0151 -0.0075 735 LYS 54 C -0.0651 0.0168 -0.0302 736 LYS 54 O -0.0678 0.0374 -0.0437 737 LYS 54 CB -0.0420 0.0155 -0.0047 738 LYS 54 CG -0.0207 0.0240 0.0137 739 LYS 54 CD -0.0190 0.0178 0.0188 740 LYS 54 CE -0.0010 0.0097 0.0423 741 LYS 54 NZ 0.0177 0.0295 0.0521 742 LYS 54 H -0.0404 -0.0183 0.0145 743 LYS 54 HA -0.0350 0.0297 -0.0046 744 LYS 54 HB2 -0.0484 -0.0017 -0.0027 745 LYS 54 HB3 -0.0479 0.0272 -0.0171 746 LYS 54 HG2 -0.0148 0.0424 0.0106 747 LYS 54 HG3 -0.0137 0.0152 0.0259 748 LYS 54 HD2 -0.0307 0.0038 0.0135 749 LYS 54 HD3 -0.0176 0.0329 0.0125 750 LYS 54 HE2 -0.0027 -0.0060 0.0487 751 LYS 54 HE3 0.0002 0.0068 0.0451 752 LYS 54 HZ1 0.0278 0.0240 0.0658 753 LYS 54 HZ2 0.0197 0.0440 0.0468 754 LYS 54 HZ3 0.0170 0.0326 0.0498 755 ASP 55 N -0.0204 0.0107 0.0094 756 ASP 55 CA 0.0166 0.0035 0.0352 757 ASP 55 C 0.0337 -0.0106 0.0608 758 ASP 55 O 0.0673 -0.0152 0.0819 759 ASP 55 CB 0.0507 0.0304 0.0172 760 ASP 55 CG 0.0716 0.0513 0.0007 761 ASP 55 OD1 0.0528 0.0502 -0.0066 762 ASP 55 OD2 0.1073 0.0689 -0.0051 763 ASP 55 H -0.0146 0.0267 -0.0080 764 ASP 55 HA 0.0086 -0.0100 0.0486 765 ASP 55 HB2 0.0722 0.0245 0.0344 766 ASP 55 HB3 0.0381 0.0403 -0.0010 767 ASP 56 N -0.0007 0.0013 0.0182 768 ASP 56 CA 0.0007 -0.0002 0.0209 769 ASP 56 C 0.0075 0.0087 0.0188 770 ASP 56 O 0.0099 0.0080 0.0216 771 ASP 56 CB 0.0037 -0.0080 0.0309 772 ASP 56 CG -0.0042 -0.0177 0.0327 773 ASP 56 OD1 -0.0125 -0.0186 0.0260 774 ASP 56 OD2 -0.0022 -0.0244 0.0407 775 ASP 56 H -0.0062 0.0011 0.0134 776 ASP 56 HA -0.0055 -0.0024 0.0173 777 ASP 56 HB2 0.0090 -0.0070 0.0347 778 ASP 56 HB3 0.0058 -0.0078 0.0325 779 SER 57 N 0.0028 0.0060 0.0126 780 SER 57 CA 0.0039 0.0099 0.0110 781 SER 57 C -0.0007 0.0105 0.0079 782 SER 57 O -0.0045 0.0087 0.0066 783 SER 57 CB 0.0063 0.0146 0.0099 784 SER 57 OG 0.0034 0.0159 0.0074 785 SER 57 H 0.0033 0.0068 0.0125 786 SER 57 HA 0.0059 0.0092 0.0127 787 SER 57 HB2 0.0071 0.0171 0.0090 788 SER 57 HB3 0.0091 0.0142 0.0119 789 SER 57 HG 0.0048 0.0185 0.0067 790 LEU 58 N -0.0028 0.0073 0.0049 791 LEU 58 CA -0.0024 0.0074 0.0041 792 LEU 58 C -0.0018 0.0076 0.0033 793 LEU 58 O -0.0015 0.0080 0.0035 794 LEU 58 CB -0.0019 0.0080 0.0045 795 LEU 58 CG -0.0024 0.0078 0.0053 796 LEU 58 CD1 -0.0021 0.0085 0.0062 797 LEU 58 CD2 -0.0025 0.0076 0.0050 798 LEU 58 H -0.0025 0.0077 0.0052 799 LEU 58 HA -0.0028 0.0069 0.0038 800 LEU 58 HB2 -0.0015 0.0084 0.0047 801 LEU 58 HB3 -0.0017 0.0079 0.0039 802 LEU 58 HG -0.0030 0.0073 0.0054 803 LEU 58 HD11 -0.0024 0.0084 0.0067 804 LEU 58 HD12 -0.0021 0.0085 0.0065 805 LEU 58 HD13 -0.0015 0.0089 0.0060 806 LEU 58 HD21 -0.0028 0.0075 0.0055 807 LEU 58 HD22 -0.0019 0.0081 0.0048 808 LEU 58 HD23 -0.0027 0.0072 0.0044 809 LYS 59 N -0.0045 0.0011 0.0000 810 LYS 59 CA -0.0023 -0.0007 -0.0009 811 LYS 59 C -0.0003 -0.0004 0.0014 812 LYS 59 O -0.0010 0.0009 0.0030 813 LYS 59 CB -0.0030 -0.0016 -0.0030 814 LYS 59 CG -0.0045 -0.0022 -0.0055 815 LYS 59 CD -0.0060 -0.0025 -0.0073 816 LYS 59 CE -0.0077 -0.0029 -0.0097 817 LYS 59 NZ -0.0065 -0.0050 -0.0119 818 LYS 59 H -0.0053 0.0019 0.0005 819 LYS 59 HA -0.0015 -0.0015 -0.0016 820 LYS 59 HB2 -0.0040 -0.0006 -0.0025 821 LYS 59 HB3 -0.0014 -0.0026 -0.0032 822 LYS 59 HG2 -0.0033 -0.0034 -0.0064 823 LYS 59 HG3 -0.0058 -0.0013 -0.0052 824 LYS 59 HD2 -0.0071 -0.0013 -0.0064 825 LYS 59 HD3 -0.0047 -0.0035 -0.0078 826 LYS 59 HE2 -0.0081 -0.0025 -0.0094 827 LYS 59 HE3 -0.0094 -0.0023 -0.0102 828 LYS 59 HZ1 -0.0062 -0.0054 -0.0123 829 LYS 59 HZ2 -0.0050 -0.0056 -0.0115 830 LYS 59 HZ3 -0.0076 -0.0052 -0.0133 831 VAL 60 N -0.0012 -0.0059 0.0003 832 VAL 60 CA -0.0007 -0.0058 0.0005 833 VAL 60 C -0.0001 -0.0059 -0.0001 834 VAL 60 O 0.0003 -0.0058 -0.0003 835 VAL 60 CB -0.0003 -0.0055 0.0012 836 VAL 60 CG1 0.0002 -0.0053 0.0014 837 VAL 60 CG2 -0.0009 -0.0054 0.0018 838 VAL 60 H -0.0009 -0.0059 0.0002 839 VAL 60 HA -0.0010 -0.0058 0.0006 840 VAL 60 HB -0.0001 -0.0055 0.0012 841 VAL 60 HG11 0.0003 -0.0052 0.0019 842 VAL 60 HG12 0.0006 -0.0053 0.0011 843 VAL 60 HG13 -0.0000 -0.0054 0.0012 844 VAL 60 HG21 -0.0007 -0.0052 0.0023 845 VAL 60 HG22 -0.0012 -0.0055 0.0018 846 VAL 60 HG23 -0.0012 -0.0055 0.0018 847 PHE 61 N -0.0028 -0.0066 -0.0041 848 PHE 61 CA -0.0030 -0.0062 -0.0041 849 PHE 61 C -0.0034 -0.0062 -0.0044 850 PHE 61 O -0.0034 -0.0065 -0.0047 851 PHE 61 CB -0.0030 -0.0061 -0.0041 852 PHE 61 CG -0.0027 -0.0061 -0.0038 853 PHE 61 CD1 -0.0027 -0.0058 -0.0035 854 PHE 61 CD2 -0.0025 -0.0064 -0.0037 855 PHE 61 CE1 -0.0024 -0.0058 -0.0033 856 PHE 61 CE2 -0.0023 -0.0064 -0.0034 857 PHE 61 CZ -0.0022 -0.0061 -0.0032 858 PHE 61 H -0.0028 -0.0068 -0.0042 859 PHE 61 HA -0.0030 -0.0060 -0.0040 860 PHE 61 HB2 -0.0031 -0.0064 -0.0042 861 PHE 61 HB3 -0.0032 -0.0059 -0.0041 862 PHE 61 HD1 -0.0028 -0.0056 -0.0036 863 PHE 61 HD2 -0.0026 -0.0067 -0.0039 864 PHE 61 HE1 -0.0023 -0.0055 -0.0031 865 PHE 61 HE2 -0.0021 -0.0066 -0.0034 866 PHE 61 HZ -0.0020 -0.0061 -0.0030 867 SER 62 N -0.0059 -0.0043 -0.0073 868 SER 62 CA -0.0073 -0.0045 -0.0078 869 SER 62 C -0.0080 -0.0045 -0.0081 870 SER 62 O -0.0078 -0.0037 -0.0079 871 SER 62 CB -0.0078 -0.0033 -0.0078 872 SER 62 OG -0.0090 -0.0034 -0.0083 873 SER 62 H -0.0056 -0.0036 -0.0070 874 SER 62 HA -0.0073 -0.0053 -0.0080 875 SER 62 HB2 -0.0073 -0.0033 -0.0076 876 SER 62 HB3 -0.0077 -0.0025 -0.0076 877 SER 62 HG -0.0092 -0.0042 -0.0086 878 THR 63 N -0.0086 -0.0001 -0.0103 879 THR 63 CA -0.0096 0.0002 -0.0104 880 THR 63 C -0.0115 0.0020 -0.0098 881 THR 63 O -0.0123 0.0025 -0.0097 882 THR 63 CB -0.0106 -0.0017 -0.0118 883 THR 63 OG1 -0.0122 -0.0020 -0.0125 884 THR 63 CG2 -0.0088 -0.0035 -0.0124 885 THR 63 H -0.0091 -0.0010 -0.0110 886 THR 63 HA -0.0085 0.0004 -0.0099 887 THR 63 HB -0.0113 -0.0015 -0.0119 888 THR 63 HG1 -0.0127 -0.0031 -0.0133 889 THR 63 HG21 -0.0095 -0.0046 -0.0133 890 THR 63 HG22 -0.0077 -0.0033 -0.0120 891 THR 63 HG23 -0.0080 -0.0037 -0.0123 892 ASN 64 N -0.0130 0.0045 -0.0110 893 ASN 64 CA -0.0129 0.0052 -0.0118 894 ASN 64 C -0.0125 0.0079 -0.0146 895 ASN 64 O -0.0102 0.0082 -0.0162 896 ASN 64 CB -0.0101 0.0033 -0.0113 897 ASN 64 CG -0.0099 0.0036 -0.0118 898 ASN 64 OD1 -0.0122 0.0038 -0.0107 899 ASN 64 ND2 -0.0072 0.0037 -0.0133 900 ASN 64 H -0.0112 0.0037 -0.0112 901 ASN 64 HA -0.0149 0.0053 -0.0109 902 ASN 64 HB2 -0.0102 0.0016 -0.0096 903 ASN 64 HB3 -0.0081 0.0034 -0.0124 904 ASN 64 HD21 -0.0070 0.0040 -0.0136 905 ASN 64 HD22 -0.0056 0.0036 -0.0140 906 ASN 64 N -0.0130 0.0044 -0.0110 907 ASN 64 CA -0.0131 0.0054 -0.0118 908 ASN 64 C -0.0128 0.0080 -0.0146 909 ASN 64 O -0.0106 0.0085 -0.0162 910 ASN 64 CB -0.0105 0.0036 -0.0114 911 ASN 64 CG -0.0111 0.0011 -0.0087 912 ASN 64 OD1 -0.0138 0.0010 -0.0071 913 ASN 64 ND2 -0.0085 -0.0009 -0.0081 914 ASN 64 H -0.0112 0.0035 -0.0110 915 ASN 64 HA -0.0151 0.0055 -0.0109 916 ASN 64 HB2 -0.0085 0.0032 -0.0121 917 ASN 64 HB3 -0.0104 0.0044 -0.0123 918 ASN 64 HD21 -0.0087 -0.0023 -0.0065 919 ASN 64 HD22 -0.0067 -0.0007 -0.0092 920 CYS 65 N -0.0103 0.0103 -0.0101 921 CYS 65 CA -0.0104 0.0101 -0.0102 922 CYS 65 C -0.0105 0.0093 -0.0104 923 CYS 65 O -0.0104 0.0089 -0.0101 924 CYS 65 CB -0.0101 0.0102 -0.0097 925 CYS 65 SG -0.0101 0.0100 -0.0098 926 CYS 65 HA -0.0106 0.0104 -0.0106 927 CYS 65 HB2 -0.0100 0.0107 -0.0095 928 CYS 65 HB3 -0.0099 0.0099 -0.0093 929 CYS 65 H -0.0101 0.0104 -0.0097 930 CYS 65 H -0.0101 0.0104 -0.0097 931 PRO 66 N -0.0105 0.0095 -0.0184 932 PRO 66 CA -0.0109 0.0119 -0.0172 933 PRO 66 C -0.0102 0.0120 -0.0193 934 PRO 66 O -0.0105 0.0142 -0.0187 935 PRO 66 CB -0.0119 0.0106 -0.0137 936 PRO 66 CG -0.0118 0.0067 -0.0137 937 PRO 66 CD -0.0111 0.0066 -0.0160 938 PRO 66 HA -0.0109 0.0143 -0.0171 939 PRO 66 HB2 -0.0121 0.0109 -0.0131 940 PRO 66 HB3 -0.0125 0.0119 -0.0121 941 PRO 66 HG2 -0.0115 0.0054 -0.0146 942 PRO 66 HG3 -0.0125 0.0059 -0.0115 943 PRO 66 HD2 -0.0107 0.0044 -0.0171 944 PRO 66 HD3 -0.0115 0.0070 -0.0147 945 HIS 67 N -0.0053 0.0112 -0.0304 946 HIS 67 CA -0.0008 0.0062 -0.0300 947 HIS 67 C 0.0046 0.0067 -0.0275 948 HIS 67 O 0.0058 0.0033 -0.0281 949 HIS 67 CB 0.0005 0.0062 -0.0295 950 HIS 67 CG 0.0052 0.0013 -0.0290 951 HIS 67 ND1 0.0098 0.0025 -0.0266 952 HIS 67 CD2 0.0063 -0.0046 -0.0306 953 HIS 67 CE1 0.0133 -0.0025 -0.0267 954 HIS 67 NE2 0.0113 -0.0069 -0.0291 955 HIS 67 H -0.0059 0.0140 -0.0297 956 HIS 67 HA -0.0021 0.0024 -0.0320 957 HIS 67 HB2 -0.0030 0.0055 -0.0313 958 HIS 67 HB3 0.0017 0.0100 -0.0276 959 HIS 67 HD2 0.0039 -0.0068 -0.0324 960 HIS 67 HE1 0.0167 -0.0029 -0.0254 961 HIS 67 HE2 0.0130 -0.0106 -0.0297 962 LEU 68 N 0.0070 0.0030 -0.0284 963 LEU 68 CA 0.0191 -0.0005 -0.0175 964 LEU 68 C 0.0199 0.0122 -0.0076 965 LEU 68 O 0.0296 0.0129 0.0035 966 LEU 68 CB 0.0281 -0.0062 -0.0115 967 LEU 68 CG 0.0303 -0.0213 -0.0196 968 LEU 68 CD1 0.0390 -0.0255 -0.0130 969 LEU 68 CD2 0.0351 -0.0328 -0.0224 970 LEU 68 H 0.0035 0.0115 -0.0263 971 LEU 68 HA 0.0214 -0.0084 -0.0205 972 LEU 68 HB2 0.0252 0.0005 -0.0100 973 LEU 68 HB3 0.0357 -0.0067 -0.0034 974 LEU 68 HG 0.0228 -0.0208 -0.0277 975 LEU 68 HD11 0.0403 -0.0351 -0.0182 976 LEU 68 HD12 0.0357 -0.0185 -0.0117 977 LEU 68 HD13 0.0465 -0.0256 -0.0048 978 LEU 68 HD21 0.0382 -0.0424 -0.0258 979 LEU 68 HD22 0.0414 -0.0317 -0.0146 980 LEU 68 HD23 0.0287 -0.0317 -0.0287 981 GLY 69 N -0.0008 0.0098 -0.0126 982 GLY 69 CA -0.0007 0.0080 -0.0078 983 GLY 69 C -0.0052 0.0087 -0.0043 984 GLY 69 O -0.0051 0.0071 0.0000 985 GLY 69 H -0.0014 0.0109 -0.0147 986 GLY 69 HA2 0.0002 0.0078 -0.0082 987 GLY 69 HA3 0.0017 0.0064 -0.0064 988 CYS 70 N -0.0041 0.0064 0.0016 989 CYS 70 CA -0.0045 0.0110 0.0044 990 CYS 70 C -0.0069 0.0147 0.0021 991 CYS 70 O -0.0086 0.0140 -0.0020 992 CYS 70 CB -0.0045 0.0125 0.0056 993 CYS 70 SG -0.0014 0.0091 0.0095 994 CYS 70 H -0.0041 0.0053 0.0006 995 CYS 70 HA -0.0031 0.0108 0.0072 996 CYS 70 HB2 -0.0056 0.0122 0.0029 997 CYS 70 HB3 -0.0050 0.0158 0.0070 998 GLY 71 N -0.0170 0.0073 -0.0040 999 GLY 71 CA -0.0147 0.0075 -0.0062 1000 GLY 71 C -0.0120 0.0088 -0.0050 1001 GLY 71 O -0.0110 0.0097 -0.0030 1002 GLY 71 H -0.0173 0.0073 -0.0038 1003 GLY 71 HA2 -0.0154 0.0069 -0.0073 1004 GLY 71 HA3 -0.0143 0.0073 -0.0075 1005 ILE 72 N -0.0074 0.0025 -0.0050 1006 ILE 72 CA -0.0057 0.0029 -0.0043 1007 ILE 72 C -0.0044 0.0024 -0.0054 1008 ILE 72 O -0.0043 0.0018 -0.0067 1009 ILE 72 CB -0.0053 0.0031 -0.0040 1010 ILE 72 CG1 -0.0066 0.0036 -0.0027 1011 ILE 72 CG2 -0.0035 0.0033 -0.0035 1012 ILE 72 CD1 -0.0065 0.0037 -0.0025 1013 ILE 72 H -0.0076 0.0022 -0.0056 1014 ILE 72 HA -0.0057 0.0033 -0.0034 1015 ILE 72 HB -0.0055 0.0026 -0.0049 1016 ILE 72 HG12 -0.0064 0.0040 -0.0018 1017 ILE 72 HG13 -0.0077 0.0034 -0.0031 1018 ILE 72 HG21 -0.0033 0.0035 -0.0031 1019 ILE 72 HG22 -0.0028 0.0029 -0.0044 1020 ILE 72 HG23 -0.0033 0.0037 -0.0027 1021 ILE 72 HD11 -0.0071 0.0041 -0.0016 1022 ILE 72 HD12 -0.0069 0.0033 -0.0033 1023 ILE 72 HD13 -0.0053 0.0038 -0.0023 1024 ASP 73 N -0.0009 0.0023 0.0046 1025 ASP 73 CA 0.0024 0.0002 0.0026 1026 ASP 73 C 0.0056 -0.0006 0.0050 1027 ASP 73 O 0.0058 0.0004 0.0085 1028 ASP 73 CB 0.0033 -0.0004 0.0019 1029 ASP 73 CG 0.0004 0.0001 -0.0008 1030 ASP 73 OD1 -0.0013 0.0001 -0.0035 1031 ASP 73 OD2 -0.0002 0.0006 0.0000 1032 ASP 73 H -0.0009 0.0029 0.0063 1033 ASP 73 HA 0.0020 -0.0003 0.0001 1034 ASP 73 HB2 0.0037 0.0001 0.0043 1035 ASP 73 HB3 0.0056 -0.0019 0.0007 1036 TRP 74 N 0.0098 -0.0110 0.0152 1037 TRP 74 CA 0.0091 -0.0107 0.0147 1038 TRP 74 C 0.0084 -0.0103 0.0148 1039 TRP 74 O 0.0082 -0.0101 0.0156 1040 TRP 74 CB 0.0090 -0.0106 0.0151 1041 TRP 74 CG 0.0082 -0.0102 0.0147 1042 TRP 74 CD1 0.0075 -0.0098 0.0151 1043 TRP 74 CD2 0.0081 -0.0102 0.0138 1044 TRP 74 NE1 0.0070 -0.0096 0.0145 1045 TRP 74 CE2 0.0073 -0.0099 0.0137 1046 TRP 74 CE3 0.0085 -0.0105 0.0131 1047 TRP 74 CZ2 0.0070 -0.0098 0.0129 1048 TRP 74 CZ3 0.0082 -0.0105 0.0123 1049 TRP 74 CH2 0.0074 -0.0101 0.0123 1050 TRP 74 H 0.0098 -0.0109 0.0157 1051 TRP 74 HA 0.0092 -0.0108 0.0141 1052 TRP 74 HB2 0.0094 -0.0108 0.0149 1053 TRP 74 HB3 0.0089 -0.0105 0.0157 1054 TRP 74 HD1 0.0074 -0.0097 0.0156 1055 TRP 74 HE1 0.0065 -0.0094 0.0146 1056 TRP 74 HE3 0.0090 -0.0108 0.0131 1057 TRP 74 HZ2 0.0065 -0.0095 0.0129 1058 TRP 74 HZ3 0.0085 -0.0107 0.0118 1059 TRP 74 HH2 0.0072 -0.0100 0.0117 1060 ALA 75 N 0.0129 -0.0067 0.0256 1061 ALA 75 CA 0.0108 -0.0076 0.0246 1062 ALA 75 C 0.0072 -0.0079 0.0253 1063 ALA 75 O 0.0060 -0.0088 0.0239 1064 ALA 75 CB 0.0115 -0.0091 0.0212 1065 ALA 75 H 0.0130 -0.0073 0.0244 1066 ALA 75 HA 0.0112 -0.0070 0.0256 1067 ALA 75 HB1 0.0101 -0.0097 0.0205 1068 ALA 75 HB2 0.0138 -0.0089 0.0208 1069 ALA 75 HB3 0.0111 -0.0096 0.0201 1070 ASN 76 N -0.0000 -0.0004 0.0429 1071 ASN 76 CA -0.0078 0.0052 0.0398 1072 ASN 76 C -0.0101 0.0038 0.0377 1073 ASN 76 O -0.0172 0.0060 0.0337 1074 ASN 76 CB -0.0080 0.0153 0.0434 1075 ASN 76 CG -0.0131 0.0188 0.0413 1076 ASN 76 OD1 -0.0201 0.0176 0.0361 1077 ASN 76 ND2 -0.0095 0.0232 0.0453 1078 ASN 76 H 0.0039 0.0025 0.0466 1079 ASN 76 HA -0.0120 0.0033 0.0363 1080 ASN 76 HB2 -0.0025 0.0162 0.0474 1081 ASN 76 HB3 -0.0102 0.0189 0.0432 1082 ASN 76 HD21 -0.0046 0.0239 0.0489 1083 ASN 76 HD22 -0.0121 0.0253 0.0443 1084 ASP 77 N -0.0236 -0.0153 0.0436 1085 ASP 77 CA -0.0366 -0.0223 0.0316 1086 ASP 77 C -0.0357 -0.0251 0.0198 1087 ASP 77 O -0.0482 -0.0292 0.0182 1088 ASP 77 CB -0.0366 -0.0246 0.0225 1089 ASP 77 CG -0.0201 -0.0222 0.0132 1090 ASP 77 OD1 -0.0072 -0.0183 0.0136 1091 ASP 77 OD2 -0.0200 -0.0242 0.0051 1092 ASP 77 H -0.0155 -0.0135 0.0415 1093 ASP 77 HA -0.0475 -0.0239 0.0378 1094 ASP 77 HB2 -0.0449 -0.0293 0.0142 1095 ASP 77 HB3 -0.0394 -0.0233 0.0307 1096 VAL 78 N -0.0119 -0.0172 0.0213 1097 VAL 78 CA -0.0091 -0.0154 0.0167 1098 VAL 78 C -0.0041 -0.0142 0.0221 1099 VAL 78 O -0.0017 -0.0128 0.0191 1100 VAL 78 CB -0.0049 -0.0126 0.0091 1101 VAL 78 CG1 -0.0104 -0.0139 0.0031 1102 VAL 78 CG2 0.0020 -0.0103 0.0116 1103 VAL 78 H -0.0090 -0.0160 0.0213 1104 VAL 78 HA -0.0134 -0.0168 0.0146 1105 VAL 78 HB -0.0030 -0.0115 0.0063 1106 VAL 78 HG11 -0.0076 -0.0121 -0.0016 1107 VAL 78 HG12 -0.0146 -0.0154 0.0014 1108 VAL 78 HG13 -0.0124 -0.0151 0.0058 1109 VAL 78 HG21 0.0049 -0.0084 0.0068 1110 VAL 78 HG22 0.0001 -0.0114 0.0139 1111 VAL 78 HG23 0.0053 -0.0096 0.0157 1112 SER 79 N 0.0002 -0.0095 0.0183 1113 SER 79 CA 0.0048 -0.0105 0.0200 1114 SER 79 C 0.0101 -0.0095 0.0169 1115 SER 79 O 0.0127 -0.0086 0.0146 1116 SER 79 CB 0.0034 -0.0104 0.0199 1117 SER 79 OG -0.0006 -0.0119 0.0238 1118 SER 79 H -0.0015 -0.0105 0.0207 1119 SER 79 HA 0.0054 -0.0121 0.0235 1120 SER 79 HB2 0.0019 -0.0089 0.0167 1121 SER 79 HB3 0.0068 -0.0109 0.0205 1122 SER 79 HG -0.0013 -0.0119 0.0239 1123 ARG 80 N 0.0121 -0.0061 0.0145 1124 ARG 80 CA 0.0121 -0.0056 0.0145 1125 ARG 80 C 0.0101 -0.0086 0.0150 1126 ARG 80 O 0.0078 -0.0101 0.0156 1127 ARG 80 CB 0.0106 -0.0022 0.0151 1128 ARG 80 CG 0.0120 0.0011 0.0147 1129 ARG 80 CD 0.0157 0.0018 0.0137 1130 ARG 80 NE 0.0167 0.0053 0.0135 1131 ARG 80 CZ 0.0198 0.0065 0.0126 1132 ARG 80 NH1 0.0223 0.0045 0.0118 1133 ARG 80 NH2 0.0204 0.0098 0.0126 1134 ARG 80 H 0.0102 -0.0068 0.0150 1135 ARG 80 HA 0.0144 -0.0057 0.0138 1136 ARG 80 HB2 0.0082 -0.0022 0.0158 1137 ARG 80 HB3 0.0108 -0.0019 0.0150 1138 ARG 80 HG2 0.0120 0.0008 0.0147 1139 ARG 80 HG3 0.0107 0.0031 0.0152 1140 ARG 80 HD2 0.0159 0.0015 0.0136 1141 ARG 80 HD3 0.0172 0.0002 0.0132 1142 ARG 80 HE 0.0151 0.0068 0.0140 1143 ARG 80 HH11 0.0220 0.0023 0.0118 1144 ARG 80 HH12 0.0243 0.0053 0.0112 1145 ARG 80 HH21 0.0187 0.0112 0.0131 1146 ARG 80 HH22 0.0224 0.0106 0.0120 1147 PHE 81 N 0.0079 -0.0040 0.0106 1148 PHE 81 CA 0.0059 -0.0049 0.0105 1149 PHE 81 C 0.0053 -0.0050 0.0131 1150 PHE 81 O 0.0052 -0.0049 0.0149 1151 PHE 81 CB 0.0039 -0.0060 0.0094 1152 PHE 81 CG 0.0042 -0.0060 0.0066 1153 PHE 81 CD1 0.0042 -0.0062 0.0049 1154 PHE 81 CD2 0.0044 -0.0060 0.0057 1155 PHE 81 CE1 0.0044 -0.0063 0.0024 1156 PHE 81 CE2 0.0046 -0.0061 0.0032 1157 PHE 81 CZ 0.0046 -0.0063 0.0015 1158 PHE 81 H 0.0075 -0.0041 0.0106 1159 PHE 81 HA 0.0063 -0.0048 0.0094 1160 PHE 81 HB2 0.0037 -0.0060 0.0102 1161 PHE 81 HB3 0.0026 -0.0066 0.0096 1162 PHE 81 HD1 0.0040 -0.0062 0.0055 1163 PHE 81 HD2 0.0044 -0.0059 0.0068 1164 PHE 81 HE1 0.0044 -0.0064 0.0013 1165 PHE 81 HE2 0.0048 -0.0061 0.0026 1166 PHE 81 HZ 0.0047 -0.0063 -0.0002 1167 LEU 82 N 0.0069 0.0030 0.0127 1168 LEU 82 CA 0.0063 0.0035 0.0124 1169 LEU 82 C 0.0051 0.0044 0.0114 1170 LEU 82 O 0.0048 0.0041 0.0102 1171 LEU 82 CB 0.0068 0.0025 0.0115 1172 LEU 82 CG 0.0080 0.0014 0.0122 1173 LEU 82 CD1 0.0083 0.0004 0.0112 1174 LEU 82 CD2 0.0083 0.0019 0.0138 1175 LEU 82 H 0.0069 0.0026 0.0119 1176 LEU 82 HA 0.0063 0.0040 0.0134 1177 LEU 82 HB2 0.0066 0.0020 0.0105 1178 LEU 82 HB3 0.0063 0.0029 0.0113 1179 LEU 82 HG 0.0085 0.0009 0.0123 1180 LEU 82 HD11 0.0091 -0.0003 0.0116 1181 LEU 82 HD12 0.0082 0.0000 0.0101 1182 LEU 82 HD13 0.0079 0.0009 0.0111 1183 LEU 82 HD21 0.0091 0.0012 0.0142 1184 LEU 82 HD22 0.0078 0.0025 0.0138 1185 LEU 82 HD23 0.0082 0.0024 0.0145 1186 CYS 83 N 0.0017 0.0127 0.0034 1187 CYS 83 CA -0.0004 0.0126 0.0030 1188 CYS 83 C -0.0012 0.0131 0.0036 1189 CYS 83 O -0.0013 0.0142 0.0050 1190 CYS 83 CB -0.0015 0.0132 0.0036 1191 CYS 83 SG -0.0041 0.0130 0.0030 1192 CYS 83 H 0.0020 0.0134 0.0044 1193 CYS 83 HA -0.0005 0.0118 0.0018 1194 CYS 83 HB2 -0.0011 0.0128 0.0032 1195 CYS 83 HB3 -0.0014 0.0140 0.0048 1196 PRO 84 N -0.0043 0.0152 0.0114 1197 PRO 84 CA -0.0077 0.0185 0.0158 1198 PRO 84 C -0.0112 0.0172 0.0188 1199 PRO 84 O -0.0140 0.0200 0.0225 1200 PRO 84 CB -0.0096 0.0166 0.0170 1201 PRO 84 CG -0.0089 0.0107 0.0142 1202 PRO 84 CD -0.0047 0.0107 0.0101 1203 PRO 84 HA -0.0064 0.0225 0.0160 1204 PRO 84 HB2 -0.0126 0.0165 0.0200 1205 PRO 84 HB3 -0.0080 0.0191 0.0164 1206 PRO 84 HG2 -0.0112 0.0080 0.0156 1207 PRO 84 HG3 -0.0086 0.0099 0.0137 1208 PRO 84 HD2 -0.0048 0.0070 0.0089 1209 PRO 84 HD3 -0.0022 0.0115 0.0080 1210 CYS 85 N -0.0043 0.0243 0.0134 1211 CYS 85 CA -0.0027 0.0219 0.0142 1212 CYS 85 C -0.0027 0.0229 0.0110 1213 CYS 85 O -0.0031 0.0230 0.0124 1214 CYS 85 CB 0.0002 0.0182 0.0142 1215 CYS 85 SG 0.0003 0.0166 0.0192 1216 CYS 85 H -0.0034 0.0234 0.0124 1217 CYS 85 HA -0.0035 0.0221 0.0170 1218 CYS 85 HB2 0.0008 0.0181 0.0119 1219 CYS 85 HB3 0.0015 0.0167 0.0138 1220 HIS 86 N 0.0055 0.0246 0.0048 1221 HIS 86 CA 0.0051 0.0210 -0.0013 1222 HIS 86 C -0.0017 0.0227 -0.0056 1223 HIS 86 O -0.0029 0.0198 -0.0114 1224 HIS 86 CB 0.0094 0.0159 -0.0047 1225 HIS 86 CG 0.0158 0.0144 -0.0004 1226 HIS 86 ND1 0.0175 0.0153 0.0027 1227 HIS 86 CD2 0.0210 0.0123 0.0016 1228 HIS 86 CE1 0.0234 0.0137 0.0062 1229 HIS 86 NE2 0.0256 0.0119 0.0057 1230 HIS 86 H 0.0033 0.0259 0.0045 1231 HIS 86 HA 0.0065 0.0205 -0.0005 1232 HIS 86 HB2 0.0076 0.0160 -0.0064 1233 HIS 86 HB3 0.0098 0.0135 -0.0081 1234 HIS 86 HD2 0.0213 0.0113 0.0003 1235 HIS 86 HE1 0.0257 0.0138 0.0087 1236 HIS 86 HE2 0.0293 0.0106 0.0076 1237 GLU 87 N -0.0088 0.0121 0.0065 1238 GLU 87 CA -0.0011 0.0198 0.0040 1239 GLU 87 C -0.0003 0.0181 -0.0045 1240 GLU 87 O 0.0038 0.0228 -0.0041 1241 GLU 87 CB 0.0013 0.0255 0.0141 1242 GLU 87 CG 0.0009 0.0276 0.0227 1243 GLU 87 CD 0.0043 0.0341 0.0322 1244 GLU 87 OE1 0.0105 0.0404 0.0304 1245 GLU 87 OE2 0.0006 0.0329 0.0415 1246 GLU 87 H -0.0091 0.0113 0.0046 1247 GLU 87 HA 0.0023 0.0226 0.0009 1248 GLU 87 HB2 -0.0020 0.0228 0.0172 1249 GLU 87 HB3 0.0065 0.0306 0.0121 1250 GLU 87 HG2 0.0038 0.0298 0.0195 1251 GLU 87 HG3 -0.0043 0.0227 0.0255 1252 GLY 88 N 0.0009 0.0114 0.0007 1253 GLY 88 CA 0.0021 0.0114 0.0017 1254 GLY 88 C 0.0019 0.0102 0.0024 1255 GLY 88 O 0.0011 0.0092 0.0026 1256 GLY 88 H 0.0008 0.0112 0.0008 1257 GLY 88 HA2 0.0025 0.0122 0.0014 1258 GLY 88 HA3 0.0026 0.0114 0.0021 1259 VAL 89 N 0.0034 0.0020 0.0129 1260 VAL 89 CA 0.0053 0.0024 0.0117 1261 VAL 89 C 0.0064 0.0019 0.0104 1262 VAL 89 O 0.0064 0.0024 0.0109 1263 VAL 89 CB 0.0065 0.0044 0.0127 1264 VAL 89 CG1 0.0084 0.0047 0.0114 1265 VAL 89 CG2 0.0054 0.0050 0.0142 1266 VAL 89 H 0.0034 0.0023 0.0132 1267 VAL 89 HA 0.0052 0.0017 0.0112 1268 VAL 89 HB 0.0066 0.0051 0.0132 1269 VAL 89 HG11 0.0091 0.0060 0.0121 1270 VAL 89 HG12 0.0092 0.0046 0.0107 1271 VAL 89 HG13 0.0083 0.0039 0.0108 1272 VAL 89 HG21 0.0062 0.0063 0.0147 1273 VAL 89 HG22 0.0052 0.0043 0.0137 1274 VAL 89 HG23 0.0042 0.0049 0.0150 1275 PHE 90 N 0.0056 -0.0040 0.0021 1276 PHE 90 CA 0.0054 -0.0038 0.0026 1277 PHE 90 C 0.0071 -0.0047 0.0023 1278 PHE 90 O 0.0081 -0.0053 0.0010 1279 PHE 90 CB 0.0038 -0.0033 0.0013 1280 PHE 90 CG 0.0021 -0.0025 0.0011 1281 PHE 90 CD1 0.0019 -0.0026 -0.0003 1282 PHE 90 CD2 0.0007 -0.0017 0.0023 1283 PHE 90 CE1 0.0003 -0.0019 -0.0005 1284 PHE 90 CE2 -0.0009 -0.0010 0.0022 1285 PHE 90 CZ -0.0011 -0.0011 0.0008 1286 PHE 90 H 0.0061 -0.0044 0.0010 1287 PHE 90 HA 0.0050 -0.0035 0.0040 1288 PHE 90 HB2 0.0043 -0.0037 -0.0000 1289 PHE 90 HB3 0.0035 -0.0031 0.0018 1290 PHE 90 HD1 0.0028 -0.0031 -0.0012 1291 PHE 90 HD2 0.0008 -0.0017 0.0032 1292 PHE 90 HE1 0.0001 -0.0019 -0.0014 1293 PHE 90 HE2 -0.0018 -0.0005 0.0030 1294 PHE 90 HZ -0.0022 -0.0006 0.0007 1295 ASP 91 N 0.0056 -0.0069 0.0046 1296 ASP 91 CA 0.0046 -0.0025 0.0019 1297 ASP 91 C 0.0041 -0.0020 0.0005 1298 ASP 91 O 0.0045 -0.0051 0.0015 1299 ASP 91 CB 0.0032 -0.0022 -0.0020 1300 ASP 91 CG 0.0018 -0.0057 -0.0060 1301 ASP 91 OD1 0.0017 -0.0077 -0.0064 1302 ASP 91 OD2 0.0009 -0.0064 -0.0088 1303 ASP 91 H 0.0051 -0.0093 0.0032 1304 ASP 91 HA 0.0052 0.0003 0.0037 1305 ASP 91 HB2 0.0028 0.0010 -0.0033 1306 ASP 91 HB3 0.0036 -0.0030 -0.0008 1307 VAL 92 N 0.0035 -0.0082 0.0005 1308 VAL 92 CA 0.0034 -0.0081 -0.0003 1309 VAL 92 C 0.0028 -0.0089 -0.0012 1310 VAL 92 O 0.0026 -0.0089 -0.0018 1311 VAL 92 CB 0.0038 -0.0068 -0.0008 1312 VAL 92 CG1 0.0036 -0.0066 -0.0018 1313 VAL 92 CG2 0.0038 -0.0065 -0.0013 1314 VAL 92 H 0.0037 -0.0077 0.0004 1315 VAL 92 HA 0.0034 -0.0082 0.0001 1316 VAL 92 HB 0.0041 -0.0064 -0.0002 1317 VAL 92 HG11 0.0039 -0.0058 -0.0019 1318 VAL 92 HG12 0.0036 -0.0069 -0.0015 1319 VAL 92 HG13 0.0033 -0.0070 -0.0024 1320 VAL 92 HG21 0.0041 -0.0057 -0.0016 1321 VAL 92 HG22 0.0035 -0.0069 -0.0019 1322 VAL 92 HG23 0.0039 -0.0066 -0.0007 1323 ASN 93 N -0.0027 -0.0058 -0.0058 1324 ASN 93 CA -0.0035 -0.0083 -0.0079 1325 ASN 93 C 0.0004 -0.0124 -0.0068 1326 ASN 93 O -0.0001 -0.0151 -0.0087 1327 ASN 93 CB -0.0072 -0.0105 -0.0120 1328 ASN 93 CG -0.0114 -0.0066 -0.0134 1329 ASN 93 OD1 -0.0125 -0.0028 -0.0122 1330 ASN 93 ND2 -0.0139 -0.0075 -0.0159 1331 ASN 93 H -0.0030 -0.0073 -0.0069 1332 ASN 93 HA -0.0044 -0.0060 -0.0073 1333 ASN 93 HB2 -0.0065 -0.0126 -0.0126 1334 ASN 93 HB3 -0.0076 -0.0124 -0.0134 1335 ASN 93 HD21 -0.0130 -0.0102 -0.0166 1336 ASN 93 HD22 -0.0163 -0.0054 -0.0167 1337 GLY 94 N -0.0001 -0.0084 -0.0012 1338 GLY 94 CA 0.0001 -0.0086 -0.0011 1339 GLY 94 C 0.0000 -0.0094 -0.0007 1340 GLY 94 O 0.0001 -0.0096 -0.0007 1341 GLY 94 H 0.0004 -0.0084 -0.0012 1342 GLY 94 HA2 0.0006 -0.0084 -0.0012 1343 GLY 94 HA3 -0.0004 -0.0083 -0.0012 1344 LYS 95 N -0.0015 -0.0038 0.0046 1345 LYS 95 CA 0.0014 -0.0130 -0.0055 1346 LYS 95 C 0.0062 -0.0144 -0.0019 1347 LYS 95 O 0.0013 -0.0071 0.0030 1348 LYS 95 CB -0.0094 -0.0124 -0.0173 1349 LYS 95 CG -0.0070 -0.0220 -0.0285 1350 LYS 95 CD -0.0182 -0.0201 -0.0389 1351 LYS 95 CE -0.0155 -0.0295 -0.0494 1352 LYS 95 NZ -0.0027 -0.0378 -0.0467 1353 LYS 95 H -0.0089 0.0014 0.0035 1354 LYS 95 HA 0.0072 -0.0188 -0.0072 1355 LYS 95 HB2 -0.0125 -0.0112 -0.0193 1356 LYS 95 HB3 -0.0152 -0.0068 -0.0159 1357 LYS 95 HG2 -0.0018 -0.0244 -0.0260 1358 LYS 95 HG3 -0.0034 -0.0271 -0.0317 1359 LYS 95 HD2 -0.0230 -0.0186 -0.0424 1360 LYS 95 HD3 -0.0224 -0.0145 -0.0355 1361 LYS 95 HE2 -0.0183 -0.0322 -0.0568 1362 LYS 95 HE3 -0.0194 -0.0273 -0.0509 1363 LYS 95 HZ1 0.0002 -0.0356 -0.0401 1364 LYS 95 HZ2 -0.0017 -0.0430 -0.0531 1365 LYS 95 HZ3 0.0012 -0.0400 -0.0453 1366 THR 96 N 0.0027 -0.0123 -0.0015 1367 THR 96 CA 0.0036 -0.0127 -0.0006 1368 THR 96 C 0.0044 -0.0131 0.0004 1369 THR 96 O 0.0038 -0.0136 0.0009 1370 THR 96 CB 0.0028 -0.0133 0.0001 1371 THR 96 OG1 0.0018 -0.0131 -0.0007 1372 THR 96 CG2 0.0038 -0.0135 0.0008 1373 THR 96 H 0.0019 -0.0126 -0.0014 1374 THR 96 HA 0.0043 -0.0122 -0.0010 1375 THR 96 HB 0.0023 -0.0138 0.0007 1376 THR 96 HG1 0.0013 -0.0135 -0.0003 1377 THR 96 HG21 0.0033 -0.0137 0.0009 1378 THR 96 HG22 0.0042 -0.0139 0.0016 1379 THR 96 HG23 0.0045 -0.0130 0.0003 1380 ILE 97 N 0.0056 -0.0049 0.0108 1381 ILE 97 CA 0.0074 -0.0023 0.0128 1382 ILE 97 C 0.0076 -0.0021 0.0178 1383 ILE 97 O 0.0088 -0.0005 0.0199 1384 ILE 97 CB 0.0101 0.0016 0.0106 1385 ILE 97 CG1 0.0113 0.0033 0.0114 1386 ILE 97 CG2 0.0098 0.0012 0.0056 1387 ILE 97 CD1 0.0140 0.0072 0.0095 1388 ILE 97 H 0.0059 -0.0044 0.0113 1389 ILE 97 HA 0.0068 -0.0031 0.0121 1390 ILE 97 HB 0.0112 0.0031 0.0120 1391 ILE 97 HG12 0.0102 0.0018 0.0099 1392 ILE 97 HG13 0.0114 0.0034 0.0146 1393 ILE 97 HG21 0.0115 0.0037 0.0043 1394 ILE 97 HG22 0.0088 -0.0001 0.0051 1395 ILE 97 HG23 0.0089 -0.0000 0.0042 1396 ILE 97 HD11 0.0147 0.0082 0.0105 1397 ILE 97 HD12 0.0150 0.0087 0.0106 1398 ILE 97 HD13 0.0139 0.0071 0.0063 1399 SER 98 N 0.0069 0.0034 0.0049 1400 SER 98 C 0.0021 0.0018 0.0085 1401 SER 98 O 0.0019 -0.0007 0.0070 1402 SER 98 CA 0.0048 0.0046 0.0077 1403 SER 98 CB 0.0051 0.0070 0.0091 1404 SER 98 OG 0.0045 0.0057 0.0088 1405 SER 98 H 0.0064 0.0016 0.0041 1406 SER 98 HA 0.0049 0.0056 0.0084 1407 SER 98 HB2 0.0040 0.0080 0.0109 1408 SER 98 HB3 0.0070 0.0085 0.0083 1409 SER 98 HG 0.0029 0.0045 0.0096 1410 SER 98 CA 0.0048 0.0046 0.0078 1411 SER 98 CB 0.0051 0.0066 0.0088 1412 SER 98 OG 0.0035 0.0083 0.0116 1413 SER 98 H 0.0064 0.0015 0.0041 1414 SER 98 HA 0.0049 0.0058 0.0085 1415 SER 98 HB2 0.0069 0.0080 0.0080 1416 SER 98 HB3 0.0046 0.0053 0.0085 1417 SER 98 HG 0.0020 0.0072 0.0123 1418 GLY 99 N 0.0046 0.0097 -0.0070 1419 GLY 99 CA 0.0046 0.0083 -0.0058 1420 GLY 99 C 0.0050 0.0066 -0.0064 1421 GLY 99 O 0.0053 0.0065 -0.0079 1422 GLY 99 H 0.0045 0.0102 -0.0070 1423 GLY 99 HA2 0.0044 0.0086 -0.0048 1424 GLY 99 HA3 0.0045 0.0082 -0.0054 1425 PRO 100 N 0.0063 0.0030 -0.0168 1426 PRO 100 CA 0.0075 -0.0014 -0.0179 1427 PRO 100 C 0.0043 0.0012 -0.0181 1428 PRO 100 O 0.0056 -0.0021 -0.0188 1429 PRO 100 CB 0.0153 -0.0020 -0.0155 1430 PRO 100 CG 0.0172 0.0045 -0.0126 1431 PRO 100 CD 0.0124 0.0064 -0.0136 1432 PRO 100 HA 0.0059 -0.0058 -0.0199 1433 PRO 100 HB2 0.0167 -0.0029 -0.0153 1434 PRO 100 HB3 0.0173 -0.0057 -0.0161 1435 PRO 100 HG2 0.0166 0.0079 -0.0117 1436 PRO 100 HG3 0.0219 0.0041 -0.0112 1437 PRO 100 HD2 0.0113 0.0113 -0.0123 1438 PRO 100 HD3 0.0143 0.0048 -0.0135 1439 ALA 101 N -0.0009 -0.0021 -0.0121 1440 ALA 101 CA -0.0032 0.0005 -0.0119 1441 ALA 101 C -0.0059 -0.0003 -0.0098 1442 ALA 101 O -0.0064 -0.0026 -0.0084 1443 ALA 101 CB -0.0036 0.0018 -0.0123 1444 ALA 101 H -0.0001 -0.0026 -0.0123 1445 ALA 101 HA -0.0029 0.0020 -0.0129 1446 ALA 101 HB1 -0.0051 0.0035 -0.0122 1447 ALA 101 HB2 -0.0019 0.0024 -0.0137 1448 ALA 101 HB3 -0.0039 0.0003 -0.0114 1449 PRO 102 N -0.0100 -0.0022 -0.0142 1450 PRO 102 CA -0.0152 -0.0008 -0.0050 1451 PRO 102 C -0.0193 -0.0003 0.0028 1452 PRO 102 O -0.0238 0.0009 0.0108 1453 PRO 102 CB -0.0178 0.0094 -0.0074 1454 PRO 102 CG -0.0160 0.0149 -0.0150 1455 PRO 102 CD -0.0101 0.0073 -0.0211 1456 PRO 102 HA -0.0143 -0.0060 -0.0028 1457 PRO 102 HB2 -0.0219 0.0127 -0.0019 1458 PRO 102 HB3 -0.0162 0.0084 -0.0098 1459 PRO 102 HG2 -0.0185 0.0174 -0.0121 1460 PRO 102 HG3 -0.0162 0.0204 -0.0188 1461 PRO 102 HD2 -0.0092 0.0087 -0.0239 1462 PRO 102 HD3 -0.0074 0.0070 -0.0262 1463 ARG 103 N -0.0158 0.0086 -0.0009 1464 ARG 103 CA -0.0160 0.0069 0.0069 1465 ARG 103 C -0.0127 -0.0012 0.0023 1466 ARG 103 O -0.0108 -0.0041 -0.0072 1467 ARG 103 CB -0.0196 0.0169 0.0090 1468 ARG 103 CG -0.0207 0.0227 -0.0013 1469 ARG 103 CD -0.0231 0.0292 0.0008 1470 ARG 103 NE -0.0211 0.0226 0.0035 1471 ARG 103 CZ -0.0227 0.0258 0.0085 1472 ARG 103 NH1 -0.0263 0.0356 0.0114 1473 ARG 103 NH2 -0.0205 0.0190 0.0105 1474 ARG 103 H -0.0145 0.0064 -0.0073 1475 ARG 103 HA -0.0157 0.0043 0.0139 1476 ARG 103 HB2 -0.0194 0.0152 0.0133 1477 ARG 103 HB3 -0.0216 0.0214 0.0131 1478 ARG 103 HG2 -0.0221 0.0273 -0.0038 1479 ARG 103 HG3 -0.0185 0.0178 -0.0069 1480 ARG 103 HD2 -0.0252 0.0337 0.0069 1481 ARG 103 HD3 -0.0240 0.0334 -0.0057 1482 ARG 103 HE -0.0187 0.0163 0.0016 1483 ARG 103 HH11 -0.0277 0.0400 0.0099 1484 ARG 103 HH12 -0.0273 0.0375 0.0147 1485 ARG 103 HH21 -0.0181 0.0127 0.0085 1486 ARG 103 HH22 -0.0215 0.0209 0.0138 1487 GLY 104 N -0.0078 -0.0032 -0.0011 1488 GLY 104 CA -0.0061 -0.0046 -0.0029 1489 GLY 104 C -0.0063 -0.0013 -0.0060 1490 GLY 104 O -0.0078 0.0022 -0.0069 1491 GLY 104 H -0.0093 -0.0028 0.0012 1492 GLY 104 HA2 -0.0042 -0.0066 -0.0043 1493 GLY 104 HA3 -0.0066 -0.0057 -0.0008 1494 MET 105 N -0.0051 -0.0016 -0.0027 1495 MET 105 CA -0.0052 -0.0015 -0.0033 1496 MET 105 C -0.0054 -0.0010 -0.0030 1497 MET 105 O -0.0054 -0.0010 -0.0023 1498 MET 105 CB -0.0048 -0.0022 -0.0036 1499 MET 105 CG -0.0046 -0.0026 -0.0041 1500 MET 105 SD -0.0041 -0.0036 -0.0044 1501 MET 105 CE -0.0042 -0.0035 -0.0049 1502 MET 105 H -0.0048 -0.0020 -0.0025 1503 MET 105 HA -0.0054 -0.0013 -0.0038 1504 MET 105 HB2 -0.0046 -0.0025 -0.0032 1505 MET 105 HB3 -0.0049 -0.0022 -0.0040 1506 MET 105 HG2 -0.0048 -0.0024 -0.0046 1507 MET 105 HG3 -0.0046 -0.0026 -0.0038 1508 MET 105 HE1 -0.0039 -0.0040 -0.0051 1509 MET 105 HE2 -0.0043 -0.0033 -0.0046 1510 MET 105 HE3 -0.0044 -0.0033 -0.0054 1511 TYR 106 N -0.0093 0.0001 -0.0072 1512 TYR 106 CA -0.0089 0.0016 -0.0057 1513 TYR 106 C -0.0067 -0.0021 -0.0045 1514 TYR 106 O -0.0069 -0.0056 -0.0067 1515 TYR 106 CB -0.0115 0.0032 -0.0089 1516 TYR 106 CG -0.0139 0.0068 -0.0104 1517 TYR 106 CD1 -0.0140 0.0109 -0.0082 1518 TYR 106 CD2 -0.0160 0.0062 -0.0141 1519 TYR 106 CE1 -0.0161 0.0142 -0.0096 1520 TYR 106 CE2 -0.0182 0.0095 -0.0156 1521 TYR 106 CZ -0.0182 0.0135 -0.0133 1522 TYR 106 OH -0.0204 0.0168 -0.0148 1523 TYR 106 H -0.0107 -0.0004 -0.0097 1524 TYR 106 HA -0.0084 0.0039 -0.0035 1525 TYR 106 HB2 -0.0120 0.0008 -0.0110 1526 TYR 106 HB3 -0.0113 0.0042 -0.0079 1527 TYR 106 HD1 -0.0126 0.0114 -0.0058 1528 TYR 106 HD2 -0.0160 0.0034 -0.0157 1529 TYR 106 HE1 -0.0161 0.0169 -0.0081 1530 TYR 106 HE2 -0.0196 0.0090 -0.0180 1531 TYR 106 HH -0.0199 0.0182 -0.0131 1532 SER 107 N -0.0030 -0.0063 -0.0035 1533 SER 107 CA -0.0020 -0.0081 -0.0025 1534 SER 107 C 0.0005 -0.0102 -0.0013 1535 SER 107 O 0.0030 -0.0096 -0.0018 1536 SER 107 CB -0.0007 -0.0063 -0.0036 1537 SER 107 OG 0.0022 -0.0050 -0.0045 1538 SER 107 H -0.0015 -0.0053 -0.0042 1539 SER 107 HA -0.0038 -0.0091 -0.0019 1540 SER 107 HB2 -0.0002 -0.0076 -0.0029 1541 SER 107 HB3 -0.0023 -0.0050 -0.0044 1542 SER 107 HG 0.0037 -0.0062 -0.0038 1543 SER 107 N -0.0030 -0.0063 -0.0036 1544 SER 107 CA -0.0017 -0.0080 -0.0026 1545 SER 107 C 0.0004 -0.0103 -0.0013 1546 SER 107 O 0.0025 -0.0098 -0.0016 1547 SER 107 CB 0.0002 -0.0062 -0.0037 1548 SER 107 OG 0.0013 -0.0076 -0.0029 1549 SER 107 H -0.0015 -0.0053 -0.0042 1550 SER 107 HA -0.0035 -0.0088 -0.0021 1551 SER 107 HB2 -0.0012 -0.0046 -0.0046 1552 SER 107 HB3 0.0021 -0.0055 -0.0042 1553 SER 107 HG 0.0026 -0.0089 -0.0022 1554 TYR 108 N 0.0020 -0.0099 0.0025 1555 TYR 108 CA 0.0034 -0.0097 0.0047 1556 TYR 108 C 0.0043 -0.0105 0.0075 1557 TYR 108 O 0.0032 -0.0124 0.0082 1558 TYR 108 CB 0.0022 -0.0114 0.0050 1559 TYR 108 CG 0.0017 -0.0105 0.0028 1560 TYR 108 CD1 0.0002 -0.0105 0.0000 1561 TYR 108 CD2 0.0026 -0.0099 0.0035 1562 TYR 108 CE1 -0.0003 -0.0096 -0.0019 1563 TYR 108 CE2 0.0021 -0.0090 0.0015 1564 TYR 108 CZ 0.0007 -0.0089 -0.0012 1565 TYR 108 OH 0.0002 -0.0081 -0.0032 1566 TYR 108 H 0.0007 -0.0114 0.0024 1567 TYR 108 HA 0.0045 -0.0079 0.0043 1568 TYR 108 HB2 0.0009 -0.0131 0.0049 1569 TYR 108 HB3 0.0030 -0.0116 0.0068 1570 TYR 108 HD1 -0.0005 -0.0110 -0.0005 1571 TYR 108 HD2 0.0035 -0.0100 0.0054 1572 TYR 108 HE1 -0.0012 -0.0096 -0.0038 1573 TYR 108 HE2 0.0028 -0.0085 0.0020 1574 TYR 108 HH 0.0002 -0.0086 -0.0025 1575 ARG 109 N 0.0053 -0.0200 0.0136 1576 ARG 109 CA 0.0012 -0.0185 0.0159 1577 ARG 109 C 0.0022 -0.0157 0.0146 1578 ARG 109 O 0.0047 -0.0123 0.0123 1579 ARG 109 CB -0.0018 -0.0151 0.0170 1580 ARG 109 CG -0.0061 -0.0130 0.0192 1581 ARG 109 CD -0.0088 -0.0098 0.0202 1582 ARG 109 NE -0.0131 -0.0081 0.0226 1583 ARG 109 CZ -0.0151 -0.0034 0.0228 1584 ARG 109 NH1 -0.0132 0.0001 0.0208 1585 ARG 109 NH2 -0.0191 -0.0022 0.0250 1586 ARG 109 H 0.0054 -0.0187 0.0132 1587 ARG 109 HA -0.0004 -0.0213 0.0175 1588 ARG 109 HB2 -0.0025 -0.0170 0.0178 1589 ARG 109 HB3 -0.0003 -0.0122 0.0154 1590 ARG 109 HG2 -0.0055 -0.0108 0.0184 1591 ARG 109 HG3 -0.0077 -0.0157 0.0208 1592 ARG 109 HD2 -0.0092 -0.0118 0.0209 1593 ARG 109 HD3 -0.0074 -0.0069 0.0187 1594 ARG 109 HE -0.0145 -0.0102 0.0239 1595 ARG 109 HH11 -0.0107 -0.0006 0.0193 1596 ARG 109 HH12 -0.0146 0.0031 0.0210 1597 ARG 109 HH21 -0.0203 -0.0045 0.0263 1598 ARG 109 HH22 -0.0204 0.0008 0.0252 1599 THR 110 N 0.0039 -0.0053 0.0097 1600 THR 110 CA 0.0039 -0.0049 0.0097 1601 THR 110 C 0.0032 -0.0047 0.0100 1602 THR 110 O 0.0027 -0.0051 0.0101 1603 THR 110 CB 0.0041 -0.0053 0.0096 1604 THR 110 OG1 0.0047 -0.0056 0.0093 1605 THR 110 CG2 0.0041 -0.0049 0.0096 1606 THR 110 H 0.0036 -0.0056 0.0097 1607 THR 110 HA 0.0041 -0.0045 0.0097 1608 THR 110 HB 0.0038 -0.0057 0.0096 1609 THR 110 HG1 0.0048 -0.0059 0.0092 1610 THR 110 HG21 0.0043 -0.0052 0.0095 1611 THR 110 HG22 0.0037 -0.0048 0.0098 1612 THR 110 HG23 0.0044 -0.0045 0.0096 1613 THR 110 N 0.0039 -0.0053 0.0097 1614 THR 110 CA 0.0039 -0.0049 0.0097 1615 THR 110 C 0.0032 -0.0047 0.0100 1616 THR 110 O 0.0027 -0.0051 0.0101 1617 THR 110 CB 0.0041 -0.0054 0.0096 1618 THR 110 OG1 0.0036 -0.0059 0.0096 1619 THR 110 CG2 0.0047 -0.0056 0.0093 1620 THR 110 H 0.0036 -0.0056 0.0097 1621 THR 110 HA 0.0042 -0.0045 0.0097 1622 THR 110 HB 0.0041 -0.0051 0.0096 1623 THR 110 HG1 0.0037 -0.0062 0.0095 1624 THR 110 HG21 0.0047 -0.0061 0.0092 1625 THR 110 HG22 0.0050 -0.0054 0.0092 1626 THR 110 HG23 0.0048 -0.0055 0.0093 1627 LYS 111 N 0.0063 -0.0000 0.0087 1628 LYS 111 CA 0.0068 0.0001 0.0078 1629 LYS 111 C 0.0075 0.0003 0.0071 1630 LYS 111 O 0.0074 0.0003 0.0071 1631 LYS 111 CB 0.0059 -0.0003 0.0070 1632 LYS 111 CG 0.0053 -0.0007 0.0063 1633 LYS 111 CD 0.0045 -0.0010 0.0055 1634 LYS 111 CE 0.0038 -0.0014 0.0048 1635 LYS 111 NZ 0.0031 -0.0017 0.0040 1636 LYS 111 H 0.0061 -0.0001 0.0085 1637 LYS 111 HA 0.0072 0.0003 0.0082 1638 LYS 111 HB2 0.0063 -0.0002 0.0065 1639 LYS 111 HB3 0.0054 -0.0005 0.0075 1640 LYS 111 HG2 0.0049 -0.0008 0.0068 1641 LYS 111 HG3 0.0058 -0.0005 0.0058 1642 LYS 111 HD2 0.0049 -0.0009 0.0050 1643 LYS 111 HD3 0.0040 -0.0012 0.0060 1644 LYS 111 HE2 0.0034 -0.0015 0.0053 1645 LYS 111 HE3 0.0043 -0.0012 0.0043 1646 LYS 111 HZ1 0.0028 -0.0018 0.0043 1647 LYS 111 HZ2 0.0026 -0.0020 0.0038 1648 LYS 111 HZ3 0.0035 -0.0016 0.0033 1649 VAL 112 N 0.0080 0.0078 0.0030 1650 VAL 112 CA 0.0077 0.0083 0.0037 1651 VAL 112 C 0.0088 0.0062 0.0018 1652 VAL 112 O 0.0100 0.0065 -0.0008 1653 VAL 112 CB 0.0075 0.0117 0.0032 1654 VAL 112 CG1 0.0071 0.0121 0.0040 1655 VAL 112 CG2 0.0065 0.0138 0.0050 1656 VAL 112 H 0.0088 0.0084 0.0013 1657 VAL 112 HA 0.0068 0.0076 0.0057 1658 VAL 112 HB 0.0084 0.0123 0.0012 1659 VAL 112 HG11 0.0071 0.0143 0.0037 1660 VAL 112 HG12 0.0078 0.0108 0.0028 1661 VAL 112 HG13 0.0063 0.0115 0.0060 1662 VAL 112 HG21 0.0064 0.0159 0.0048 1663 VAL 112 HG22 0.0057 0.0131 0.0070 1664 VAL 112 HG23 0.0068 0.0137 0.0043 1665 GLU 113 N 0.0158 0.0125 -0.0067 1666 GLU 113 CA 0.0211 0.0045 -0.0097 1667 GLU 113 C 0.0176 0.0040 -0.0036 1668 GLU 113 O 0.0129 0.0017 0.0057 1669 GLU 113 CB 0.0248 -0.0067 -0.0080 1670 GLU 113 CG 0.0296 -0.0153 -0.0098 1671 GLU 113 CD 0.0331 -0.0266 -0.0075 1672 GLU 113 OE1 0.0360 -0.0280 -0.0113 1673 GLU 113 OE2 0.0329 -0.0339 -0.0020 1674 GLU 113 H 0.0123 0.0116 -0.0003 1675 GLU 113 HA 0.0244 0.0068 -0.0168 1676 GLU 113 HB2 0.0276 -0.0066 -0.0125 1677 GLU 113 HB3 0.0215 -0.0087 -0.0011 1678 GLU 113 HG2 0.0270 -0.0152 -0.0055 1679 GLU 113 HG3 0.0332 -0.0137 -0.0168 1680 ASN 114 N 0.0135 0.0110 -0.0049 1681 ASN 114 CA 0.0095 0.0131 0.0021 1682 ASN 114 C 0.0073 0.0114 -0.0005 1683 ASN 114 O 0.0087 0.0137 0.0037 1684 ASN 114 CB 0.0150 0.0178 0.0092 1685 ASN 114 CG 0.0168 0.0194 0.0119 1686 ASN 114 OD1 0.0115 0.0177 0.0111 1687 ASN 114 ND2 0.0242 0.0228 0.0152 1688 ASN 114 H 0.0111 0.0101 -0.0055 1689 ASN 114 HA 0.0040 0.0126 0.0040 1690 ASN 114 HB2 0.0205 0.0185 0.0076 1691 ASN 114 HB3 0.0120 0.0191 0.0138 1692 ASN 114 HD21 0.0255 0.0239 0.0168 1693 ASN 114 HD22 0.0276 0.0239 0.0157 1694 ASN 115 N 0.0096 0.0114 0.0006 1695 ASN 115 CA 0.0088 0.0112 0.0001 1696 ASN 115 C 0.0028 0.0125 -0.0011 1697 ASN 115 O 0.0016 0.0120 -0.0020 1698 ASN 115 CB 0.0115 0.0063 -0.0027 1699 ASN 115 CG 0.0130 0.0065 -0.0020 1700 ASN 115 OD1 0.0148 0.0098 0.0013 1701 ASN 115 ND2 0.0122 0.0030 -0.0050 1702 ASN 115 H 0.0110 0.0137 0.0029 1703 ASN 115 HA 0.0107 0.0134 0.0026 1704 ASN 115 HB2 0.0148 0.0050 -0.0025 1705 ASN 115 HB3 0.0088 0.0043 -0.0053 1706 ASN 115 HD21 0.0108 0.0008 -0.0072 1707 ASN 115 HD22 0.0130 0.0030 -0.0047 1708 ASN 115 N 0.0096 0.0114 0.0006 1709 ASN 115 CA 0.0089 0.0112 0.0002 1710 ASN 115 C 0.0028 0.0126 -0.0010 1711 ASN 115 O 0.0016 0.0122 -0.0018 1712 ASN 115 CB 0.0115 0.0064 -0.0026 1713 ASN 115 CG 0.0178 0.0053 -0.0011 1714 ASN 115 OD1 0.0204 0.0084 0.0023 1715 ASN 115 ND2 0.0203 0.0008 -0.0037 1716 ASN 115 H 0.0111 0.0137 0.0029 1717 ASN 115 HA 0.0107 0.0135 0.0027 1718 ASN 115 HB2 0.0102 0.0040 -0.0050 1719 ASN 115 HB3 0.0105 0.0064 -0.0030 1720 ASN 115 HD21 0.0183 -0.0013 -0.0061 1721 ASN 115 HD22 0.0238 -0.0000 -0.0030 1722 THR 116 N 0.0059 0.0097 -0.0013 1723 THR 116 CA 0.0047 0.0093 0.0000 1724 THR 116 C 0.0043 0.0096 0.0013 1725 THR 116 O 0.0043 0.0093 0.0009 1726 THR 116 CB 0.0036 0.0079 -0.0006 1727 THR 116 OG1 0.0040 0.0077 -0.0016 1728 THR 116 CG2 0.0023 0.0074 0.0008 1729 THR 116 H 0.0057 0.0091 -0.0019 1730 THR 116 HA 0.0049 0.0098 0.0006 1731 THR 116 HB 0.0034 0.0074 -0.0012 1732 THR 116 HG1 0.0034 0.0069 -0.0020 1733 THR 116 HG21 0.0017 0.0066 0.0003 1734 THR 116 HG22 0.0019 0.0073 0.0013 1735 THR 116 HG23 0.0025 0.0080 0.0016 1736 VAL 117 N 0.0009 0.0079 0.0029 1737 VAL 117 CA 0.0012 0.0063 0.0027 1738 VAL 117 C 0.0020 0.0043 0.0034 1739 VAL 117 O 0.0028 0.0043 0.0051 1740 VAL 117 CB 0.0016 0.0070 0.0039 1741 VAL 117 CG1 0.0019 0.0054 0.0037 1742 VAL 117 CG2 0.0008 0.0091 0.0032 1743 VAL 117 H 0.0012 0.0088 0.0039 1744 VAL 117 HA 0.0007 0.0060 0.0013 1745 VAL 117 HB 0.0021 0.0072 0.0052 1746 VAL 117 HG11 0.0020 0.0060 0.0043 1747 VAL 117 HG12 0.0025 0.0042 0.0044 1748 VAL 117 HG13 0.0014 0.0049 0.0023 1749 VAL 117 HG21 0.0010 0.0095 0.0039 1750 VAL 117 HG22 0.0002 0.0089 0.0018 1751 VAL 117 HG23 0.0007 0.0102 0.0035 1752 PHE 118 N 0.0061 0.0016 0.0062 1753 PHE 118 CA 0.0056 0.0004 0.0066 1754 PHE 118 C 0.0055 0.0003 0.0072 1755 PHE 118 O 0.0057 0.0008 0.0068 1756 PHE 118 CB 0.0055 -0.0004 0.0054 1757 PHE 118 CG 0.0056 -0.0006 0.0048 1758 PHE 118 CD1 0.0052 -0.0014 0.0052 1759 PHE 118 CD2 0.0060 0.0001 0.0039 1760 PHE 118 CE1 0.0052 -0.0016 0.0047 1761 PHE 118 CE2 0.0060 -0.0001 0.0034 1762 PHE 118 CZ 0.0057 -0.0009 0.0038 1763 PHE 118 H 0.0063 0.0018 0.0057 1764 PHE 118 HA 0.0055 0.0002 0.0071 1765 PHE 118 HB2 0.0057 -0.0001 0.0048 1766 PHE 118 HB3 0.0052 -0.0012 0.0057 1767 PHE 118 HD1 0.0049 -0.0019 0.0058 1768 PHE 118 HD2 0.0063 0.0006 0.0036 1769 PHE 118 HE1 0.0050 -0.0021 0.0049 1770 PHE 118 HE2 0.0063 0.0004 0.0028 1771 PHE 118 HZ 0.0057 -0.0010 0.0034 1772 VAL 119 N 0.0051 -0.0038 0.0069 1773 VAL 119 CA 0.0053 -0.0039 0.0063 1774 VAL 119 C 0.0058 -0.0028 0.0063 1775 VAL 119 O 0.0062 -0.0020 0.0062 1776 VAL 119 CB 0.0057 -0.0045 0.0052 1777 VAL 119 CG1 0.0052 -0.0057 0.0052 1778 VAL 119 CG2 0.0063 -0.0039 0.0046 1779 VAL 119 H 0.0054 -0.0034 0.0066 1780 VAL 119 HA 0.0049 -0.0044 0.0066 1781 VAL 119 HB 0.0059 -0.0046 0.0048 1782 VAL 119 HG11 0.0055 -0.0060 0.0045 1783 VAL 119 HG12 0.0049 -0.0061 0.0055 1784 VAL 119 HG13 0.0050 -0.0056 0.0056 1785 VAL 119 HG21 0.0065 -0.0044 0.0039 1786 VAL 119 HG22 0.0061 -0.0038 0.0050 1787 VAL 119 HG23 0.0066 -0.0032 0.0045 1788 ASP 120 N 0.0054 -0.0076 0.0112 1789 ASP 120 CA 0.0031 -0.0066 0.0114 1790 ASP 120 C 0.0052 -0.0085 0.0117 1791 ASP 120 O 0.0049 -0.0116 0.0135 1792 ASP 120 CB -0.0008 -0.0076 0.0133 1793 ASP 120 CG -0.0032 -0.0069 0.0138 1794 ASP 120 OD1 -0.0018 -0.0053 0.0125 1795 ASP 120 OD2 -0.0063 -0.0079 0.0154 1796 ASP 120 H 0.0050 -0.0096 0.0124 1797 ASP 120 HA 0.0029 -0.0040 0.0101 1798 ASP 120 HB2 -0.0022 -0.0062 0.0130 1799 ASP 120 HB3 -0.0006 -0.0101 0.0146 1800 TYR 121 N 0.0064 -0.0088 0.0074 1801 TYR 121 CA 0.0090 -0.0101 0.0057 1802 TYR 121 C 0.0070 -0.0091 0.0070 1803 TYR 121 O 0.0088 -0.0105 0.0060 1804 TYR 121 CB 0.0122 -0.0077 0.0019 1805 TYR 121 CG 0.0111 -0.0026 0.0008 1806 TYR 121 CD1 0.0098 0.0005 0.0006 1807 TYR 121 CD2 0.0112 -0.0007 -0.0001 1808 TYR 121 CE1 0.0088 0.0052 -0.0004 1809 TYR 121 CE2 0.0101 0.0040 -0.0010 1810 TYR 121 CZ 0.0089 0.0069 -0.0012 1811 TYR 121 OH 0.0079 0.0116 -0.0022 1812 TYR 121 H 0.0066 -0.0063 0.0062 1813 TYR 121 HA 0.0100 -0.0134 0.0061 1814 TYR 121 HB2 0.0141 -0.0090 0.0008 1815 TYR 121 HB3 0.0134 -0.0082 0.0011 1816 TYR 121 HD1 0.0098 -0.0007 0.0012 1817 TYR 121 HD2 0.0121 -0.0027 0.0000 1818 TYR 121 HE1 0.0080 0.0072 -0.0005 1819 TYR 121 HE2 0.0102 0.0052 -0.0016 1820 TYR 121 HH 0.0080 0.0121 -0.0026 1821 ALA 122 N 0.0056 -0.0136 0.0158 1822 ALA 122 CA 0.0029 -0.0178 0.0164 1823 ALA 122 C -0.0006 -0.0229 0.0170 1824 ALA 122 O -0.0033 -0.0267 0.0175 1825 ALA 122 CB -0.0011 -0.0144 0.0149 1826 ALA 122 H 0.0033 -0.0109 0.0147 1827 ALA 122 HA 0.0061 -0.0194 0.0173 1828 ALA 122 HB1 -0.0023 -0.0171 0.0153 1829 ALA 122 HB2 0.0012 -0.0111 0.0144 1830 ALA 122 HB3 -0.0046 -0.0131 0.0140 1831 ALA 123 N 0.0061 -0.0135 0.0134 1832 ALA 123 CA 0.0041 -0.0163 0.0141 1833 ALA 123 C 0.0051 -0.0193 0.0132 1834 ALA 123 O 0.0037 -0.0204 0.0137 1835 ALA 123 CB 0.0009 -0.0155 0.0157 1836 ALA 123 H 0.0066 -0.0132 0.0132 1837 ALA 123 HA 0.0041 -0.0168 0.0140 1838 ALA 123 HB1 -0.0005 -0.0167 0.0162 1839 ALA 123 HB2 0.0007 -0.0132 0.0161 1840 ALA 123 HB3 0.0007 -0.0162 0.0157 1841 ILE 124 N 0.0067 -0.0154 0.0007 1842 ILE 124 CA 0.0042 -0.0149 -0.0009 1843 ILE 124 C 0.0048 -0.0143 -0.0040 1844 ILE 124 O 0.0072 -0.0142 -0.0051 1845 ILE 124 CB 0.0037 -0.0151 -0.0002 1846 ILE 124 CG1 0.0030 -0.0157 0.0029 1847 ILE 124 CG2 0.0013 -0.0145 -0.0021 1848 ILE 124 CD1 0.0035 -0.0160 0.0041 1849 ILE 124 H 0.0081 -0.0155 0.0008 1850 ILE 124 HA 0.0025 -0.0149 -0.0004 1851 ILE 124 HB 0.0054 -0.0151 -0.0007 1852 ILE 124 HG12 0.0009 -0.0156 0.0032 1853 ILE 124 HG13 0.0041 -0.0160 0.0040 1854 ILE 124 HG21 0.0006 -0.0146 -0.0013 1855 ILE 124 HG22 0.0020 -0.0141 -0.0040 1856 ILE 124 HG23 -0.0003 -0.0144 -0.0021 1857 ILE 124 HD11 0.0030 -0.0164 0.0061 1858 ILE 124 HD12 0.0056 -0.0161 0.0038 1859 ILE 124 HD13 0.0023 -0.0157 0.0031 1860 THR 125 N 0.0050 -0.0162 -0.0061 1861 THR 125 CA 0.0081 -0.0073 -0.0094 1862 THR 125 C 0.0007 0.0017 -0.0049 1863 THR 125 O -0.0046 0.0048 -0.0013 1864 THR 125 CB 0.0157 -0.0022 -0.0156 1865 THR 125 OG1 0.0232 -0.0100 -0.0204 1866 THR 125 CG2 0.0181 0.0082 -0.0186 1867 THR 125 OXT 0.0001 0.0062 -0.0049 1868 THR 125 H 0.0037 -0.0144 -0.0054 1869 THR 125 HA 0.0100 -0.0099 -0.0105 1870 THR 125 HB 0.0139 -0.0005 -0.0145 1871 THR 125 HG1 0.0216 -0.0164 -0.0185 1872 THR 125 HG21 0.0242 0.0097 -0.0233 1873 THR 125 HG22 0.0142 0.0143 -0.0163 1874 THR 125 HG23 0.0177 0.0075 -0.0182