1 ALA 8 N -0.0012 -0.0028 -0.0039 2 ALA 8 CA 0.0003 -0.0008 -0.0032 3 ALA 8 C 0.0031 0.0027 -0.0018 4 ALA 8 O 0.0038 0.0051 -0.0011 5 ALA 8 CB 0.0022 -0.0039 -0.0036 6 ALA 8 HA -0.0021 0.0006 -0.0033 7 ALA 8 HB1 0.0032 -0.0024 -0.0030 8 ALA 8 HB2 0.0002 -0.0057 -0.0044 9 ALA 8 HB3 0.0045 -0.0054 -0.0035 10 ASP 9 N 0.0016 0.0032 0.0050 11 ASP 9 CA 0.0036 0.0055 0.0037 12 ASP 9 C 0.0054 0.0047 0.0036 13 ASP 9 O 0.0078 0.0033 0.0036 14 ASP 9 CB 0.0056 0.0061 0.0030 15 ASP 9 CG 0.0069 0.0089 0.0015 16 ASP 9 OD1 0.0056 0.0108 0.0011 17 ASP 9 OD2 0.0094 0.0093 0.0008 18 ASP 9 H 0.0023 0.0016 0.0056 19 ASP 9 HA 0.0023 0.0071 0.0033 20 ASP 9 HB2 0.0044 0.0063 0.0032 21 ASP 9 HB3 0.0072 0.0047 0.0032 22 PHE 10 N 0.0106 -0.0025 -0.0007 23 PHE 10 CA 0.0095 -0.0017 -0.0005 24 PHE 10 C 0.0099 -0.0008 0.0009 25 PHE 10 O 0.0103 -0.0004 0.0018 26 PHE 10 CB 0.0081 -0.0012 -0.0010 27 PHE 10 CG 0.0073 -0.0018 -0.0024 28 PHE 10 CD1 0.0067 -0.0019 -0.0031 29 PHE 10 CD2 0.0073 -0.0024 -0.0032 30 PHE 10 CE1 0.0059 -0.0025 -0.0044 31 PHE 10 CE2 0.0065 -0.0030 -0.0045 32 PHE 10 CZ 0.0058 -0.0030 -0.0051 33 PHE 10 H 0.0105 -0.0024 -0.0006 34 PHE 10 HA 0.0095 -0.0021 -0.0011 35 PHE 10 HB2 0.0083 -0.0011 -0.0007 36 PHE 10 HB3 0.0075 -0.0005 -0.0005 37 PHE 10 HD1 0.0067 -0.0016 -0.0026 38 PHE 10 HD2 0.0077 -0.0023 -0.0028 39 PHE 10 HE1 0.0055 -0.0025 -0.0048 40 PHE 10 HE2 0.0065 -0.0033 -0.0050 41 PHE 10 HZ 0.0054 -0.0034 -0.0060 42 ILE 11 N 0.0065 -0.0018 0.0050 43 ILE 11 CA 0.0077 -0.0013 0.0040 44 ILE 11 C 0.0076 -0.0026 0.0041 45 ILE 11 O 0.0075 -0.0044 0.0043 46 ILE 11 CB 0.0092 -0.0017 0.0026 47 ILE 11 CG1 0.0094 -0.0004 0.0024 48 ILE 11 CG2 0.0104 -0.0013 0.0015 49 ILE 11 CD1 0.0093 0.0017 0.0024 50 ILE 11 H 0.0065 -0.0030 0.0051 51 ILE 11 HA 0.0076 0.0000 0.0040 52 ILE 11 HB 0.0093 -0.0030 0.0026 53 ILE 11 HG12 0.0086 -0.0007 0.0031 54 ILE 11 HG13 0.0103 -0.0008 0.0016 55 ILE 11 HG21 0.0113 -0.0012 0.0007 56 ILE 11 HG22 0.0105 -0.0025 0.0015 57 ILE 11 HG23 0.0102 -0.0002 0.0017 58 ILE 11 HD11 0.0095 0.0024 0.0023 59 ILE 11 HD12 0.0101 0.0020 0.0017 60 ILE 11 HD13 0.0084 0.0021 0.0032 61 GLY 12 N 0.0078 -0.0035 -0.0004 62 GLY 12 CA 0.0064 -0.0036 -0.0002 63 GLY 12 C 0.0058 -0.0036 -0.0006 64 GLY 12 O 0.0064 -0.0036 -0.0002 65 GLY 12 H 0.0082 -0.0035 0.0003 66 GLY 12 HA2 0.0059 -0.0037 -0.0007 67 GLY 12 HA3 0.0062 -0.0035 0.0007 68 ILE 13 N 0.0034 -0.0050 -0.0017 69 ILE 13 CA 0.0028 -0.0044 -0.0010 70 ILE 13 C 0.0020 -0.0034 -0.0008 71 ILE 13 O 0.0014 -0.0028 -0.0003 72 ILE 13 CB 0.0028 -0.0043 -0.0018 73 ILE 13 CG1 0.0027 -0.0037 -0.0031 74 ILE 13 CG2 0.0037 -0.0053 -0.0018 75 ILE 13 CD1 0.0025 -0.0033 -0.0037 76 ILE 13 H 0.0033 -0.0046 -0.0024 77 ILE 13 HA 0.0029 -0.0048 -0.0002 78 ILE 13 HB 0.0024 -0.0039 -0.0013 79 ILE 13 HG12 0.0031 -0.0041 -0.0036 80 ILE 13 HG13 0.0022 -0.0031 -0.0030 81 ILE 13 HG21 0.0037 -0.0052 -0.0022 82 ILE 13 HG22 0.0037 -0.0056 -0.0009 83 ILE 13 HG23 0.0041 -0.0057 -0.0023 84 ILE 13 HD11 0.0023 -0.0029 -0.0045 85 ILE 13 HD12 0.0021 -0.0029 -0.0031 86 ILE 13 HD13 0.0030 -0.0039 -0.0038 87 GLY 14 N 0.0006 -0.0039 -0.0061 88 GLY 14 CA -0.0006 -0.0040 -0.0056 89 GLY 14 C -0.0009 -0.0040 -0.0056 90 GLY 14 O -0.0002 -0.0040 -0.0059 91 GLY 14 H 0.0011 -0.0039 -0.0058 92 GLY 14 HA2 -0.0007 -0.0041 -0.0049 93 GLY 14 HA3 -0.0012 -0.0040 -0.0061 94 LYS 15 N -0.0056 -0.0056 -0.0096 95 LYS 15 CA -0.0020 -0.0063 -0.0085 96 LYS 15 C -0.0005 -0.0043 -0.0065 97 LYS 15 O -0.0016 -0.0036 -0.0065 98 LYS 15 CB -0.0005 -0.0095 -0.0101 99 LYS 15 CG -0.0014 -0.0118 -0.0120 100 LYS 15 CD 0.0001 -0.0149 -0.0135 101 LYS 15 CE 0.0038 -0.0155 -0.0123 102 LYS 15 NZ 0.0051 -0.0186 -0.0139 103 LYS 15 H -0.0063 -0.0068 -0.0107 104 LYS 15 HA -0.0015 -0.0059 -0.0080 105 LYS 15 HB2 -0.0013 -0.0099 -0.0107 106 LYS 15 HB3 0.0019 -0.0098 -0.0092 107 LYS 15 HG2 -0.0005 -0.0115 -0.0114 108 LYS 15 HG3 -0.0038 -0.0115 -0.0128 109 LYS 15 HD2 -0.0002 -0.0163 -0.0146 110 LYS 15 HD3 -0.0011 -0.0153 -0.0143 111 LYS 15 HE2 0.0041 -0.0142 -0.0113 112 LYS 15 HE3 0.0050 -0.0152 -0.0116 113 LYS 15 HZ1 0.0039 -0.0190 -0.0147 114 LYS 15 HZ2 0.0072 -0.0188 -0.0132 115 LYS 15 HZ3 0.0050 -0.0199 -0.0148 116 LEU 16 N -0.0014 -0.0020 -0.0063 117 LEU 16 CA -0.0012 -0.0015 -0.0062 118 LEU 16 C -0.0016 -0.0021 -0.0065 119 LEU 16 O -0.0020 -0.0016 -0.0067 120 LEU 16 CB -0.0003 -0.0014 -0.0056 121 LEU 16 CG -0.0001 -0.0010 -0.0055 122 LEU 16 CD1 -0.0002 0.0001 -0.0056 123 LEU 16 CD2 0.0009 -0.0011 -0.0049 124 LEU 16 H -0.0010 -0.0022 -0.0060 125 LEU 16 HA -0.0015 -0.0009 -0.0064 126 LEU 16 HB2 -0.0001 -0.0010 -0.0055 127 LEU 16 HB3 -0.0001 -0.0020 -0.0055 128 LEU 16 HG -0.0004 -0.0012 -0.0056 129 LEU 16 HD11 -0.0000 0.0004 -0.0055 130 LEU 16 HD12 -0.0008 0.0002 -0.0060 131 LEU 16 HD13 0.0001 0.0004 -0.0054 132 LEU 16 HD21 0.0010 -0.0009 -0.0048 133 LEU 16 HD22 0.0012 -0.0008 -0.0047 134 LEU 16 HD23 0.0010 -0.0018 -0.0048 135 ASP 17 N 0.0007 -0.0050 -0.0083 136 ASP 17 CA 0.0008 -0.0062 -0.0087 137 ASP 17 C -0.0021 -0.0064 -0.0098 138 ASP 17 O -0.0023 -0.0071 -0.0102 139 ASP 17 CB 0.0027 -0.0089 -0.0091 140 ASP 17 CG 0.0026 -0.0108 -0.0099 141 ASP 17 OD1 0.0030 -0.0099 -0.0094 142 ASP 17 OD2 0.0022 -0.0132 -0.0111 143 ASP 17 H 0.0011 -0.0063 -0.0086 144 ASP 17 HA 0.0016 -0.0049 -0.0078 145 ASP 17 HB2 0.0022 -0.0098 -0.0097 146 ASP 17 HB3 0.0046 -0.0085 -0.0082 147 ASP 18 N -0.0009 -0.0052 -0.0088 148 ASP 18 CA -0.0027 -0.0050 -0.0085 149 ASP 18 C -0.0032 -0.0031 -0.0079 150 ASP 18 O -0.0046 -0.0027 -0.0076 151 ASP 18 CB -0.0040 -0.0057 -0.0085 152 ASP 18 CG -0.0039 -0.0077 -0.0090 153 ASP 18 OD1 -0.0033 -0.0086 -0.0093 154 ASP 18 OD2 -0.0044 -0.0084 -0.0091 155 ASP 18 H -0.0007 -0.0056 -0.0089 156 ASP 18 HA -0.0030 -0.0056 -0.0086 157 ASP 18 HB2 -0.0037 -0.0052 -0.0084 158 ASP 18 HB3 -0.0052 -0.0055 -0.0082 159 PHE 19 N -0.0023 0.0001 -0.0067 160 PHE 19 CA -0.0025 0.0010 -0.0066 161 PHE 19 C -0.0021 0.0014 -0.0065 162 PHE 19 O -0.0013 0.0013 -0.0066 163 PHE 19 CB -0.0022 0.0013 -0.0065 164 PHE 19 CG -0.0027 0.0010 -0.0066 165 PHE 19 CD1 -0.0035 0.0013 -0.0065 166 PHE 19 CD2 -0.0024 0.0004 -0.0067 167 PHE 19 CE1 -0.0040 0.0009 -0.0065 168 PHE 19 CE2 -0.0028 0.0000 -0.0067 169 PHE 19 CZ -0.0036 0.0003 -0.0066 170 PHE 19 H -0.0018 -0.0000 -0.0068 171 PHE 19 HA -0.0031 0.0010 -0.0065 172 PHE 19 HB2 -0.0016 0.0012 -0.0066 173 PHE 19 HB3 -0.0023 0.0019 -0.0064 174 PHE 19 HD1 -0.0037 0.0017 -0.0064 175 PHE 19 HD2 -0.0019 0.0002 -0.0068 176 PHE 19 HE1 -0.0045 0.0011 -0.0064 177 PHE 19 HE2 -0.0026 -0.0004 -0.0068 178 PHE 19 HZ -0.0039 0.0001 -0.0066 179 PRO 20 N -0.0008 -0.0006 -0.0075 180 PRO 20 CA 0.0000 -0.0001 -0.0073 181 PRO 20 C 0.0004 0.0007 -0.0068 182 PRO 20 O -0.0002 0.0011 -0.0064 183 PRO 20 CB -0.0004 0.0001 -0.0071 184 PRO 20 CG -0.0014 -0.0005 -0.0073 185 PRO 20 CD -0.0018 -0.0007 -0.0073 186 PRO 20 HA 0.0006 -0.0005 -0.0076 187 PRO 20 HB2 -0.0006 0.0007 -0.0066 188 PRO 20 HB3 0.0001 0.0000 -0.0072 189 PRO 20 HG2 -0.0019 -0.0003 -0.0071 190 PRO 20 HG3 -0.0012 -0.0011 -0.0077 191 PRO 20 HD2 -0.0022 -0.0002 -0.0070 192 PRO 20 HD3 -0.0022 -0.0012 -0.0077 193 VAL 21 N 0.0060 -0.0041 -0.0110 194 VAL 21 CA 0.0052 -0.0050 -0.0077 195 VAL 21 C 0.0064 -0.0065 -0.0073 196 VAL 21 O 0.0087 -0.0083 -0.0084 197 VAL 21 CB 0.0057 -0.0066 -0.0058 198 VAL 21 CG1 0.0054 -0.0079 -0.0025 199 VAL 21 CG2 0.0041 -0.0048 -0.0058 200 VAL 21 H 0.0068 -0.0047 -0.0114 201 VAL 21 HA 0.0035 -0.0036 -0.0070 202 VAL 21 HB 0.0074 -0.0078 -0.0067 203 VAL 21 HG11 0.0052 -0.0085 -0.0012 204 VAL 21 HG12 0.0068 -0.0094 -0.0026 205 VAL 21 HG13 0.0040 -0.0068 -0.0018 206 VAL 21 HG21 0.0044 -0.0058 -0.0045 207 VAL 21 HG22 0.0024 -0.0035 -0.0049 208 VAL 21 HG23 0.0044 -0.0041 -0.0079 209 GLY 22 N 0.0007 -0.0037 -0.0091 210 GLY 22 CA -0.0003 -0.0017 -0.0080 211 GLY 22 C -0.0031 -0.0016 -0.0089 212 GLY 22 O -0.0040 0.0000 -0.0080 213 GLY 22 H 0.0005 -0.0034 -0.0090 214 GLY 22 HA2 -0.0004 -0.0002 -0.0070 215 GLY 22 HA3 0.0011 -0.0017 -0.0075 216 ILE 23 N -0.0034 0.0053 -0.0044 217 ILE 23 CA -0.0042 0.0052 -0.0046 218 ILE 23 C -0.0050 0.0052 -0.0047 219 ILE 23 O -0.0050 0.0046 -0.0052 220 ILE 23 CB -0.0041 0.0045 -0.0051 221 ILE 23 CG1 -0.0033 0.0047 -0.0049 222 ILE 23 CG2 -0.0051 0.0044 -0.0053 223 ILE 23 CD1 -0.0033 0.0041 -0.0052 224 ILE 23 H -0.0032 0.0049 -0.0046 225 ILE 23 HA -0.0044 0.0057 -0.0043 226 ILE 23 HB -0.0040 0.0041 -0.0054 227 ILE 23 HG12 -0.0034 0.0052 -0.0045 228 ILE 23 HG13 -0.0028 0.0046 -0.0048 229 ILE 23 HG21 -0.0050 0.0040 -0.0056 230 ILE 23 HG22 -0.0055 0.0043 -0.0054 231 ILE 23 HG23 -0.0053 0.0049 -0.0050 232 ILE 23 HD11 -0.0027 0.0041 -0.0051 233 ILE 23 HD12 -0.0034 0.0036 -0.0056 234 ILE 23 HD13 -0.0038 0.0042 -0.0052 235 PRO 24 N -0.0075 0.0112 -0.0034 236 PRO 24 CA -0.0077 0.0108 -0.0034 237 PRO 24 C -0.0081 0.0102 -0.0032 238 PRO 24 O -0.0086 0.0103 -0.0030 239 PRO 24 CB -0.0080 0.0113 -0.0033 240 PRO 24 CG -0.0077 0.0120 -0.0034 241 PRO 24 CD -0.0076 0.0119 -0.0034 242 PRO 24 HA -0.0073 0.0106 -0.0035 243 PRO 24 HB2 -0.0084 0.0113 -0.0031 244 PRO 24 HB3 -0.0079 0.0112 -0.0033 245 PRO 24 HG2 -0.0080 0.0123 -0.0032 246 PRO 24 HG3 -0.0073 0.0120 -0.0035 247 PRO 24 HD2 -0.0080 0.0121 -0.0032 248 PRO 24 HD3 -0.0073 0.0122 -0.0035 249 LYS 25 N -0.0052 0.0074 -0.0022 250 LYS 25 CA -0.0061 0.0064 -0.0025 251 LYS 25 C -0.0066 0.0066 -0.0026 252 LYS 25 O -0.0059 0.0070 -0.0024 253 LYS 25 CB -0.0055 0.0050 -0.0025 254 LYS 25 CG -0.0052 0.0045 -0.0025 255 LYS 25 CD -0.0064 0.0044 -0.0028 256 LYS 25 CE -0.0062 0.0043 -0.0028 257 LYS 25 NZ -0.0066 0.0031 -0.0030 258 LYS 25 H -0.0046 0.0075 -0.0021 259 LYS 25 HA -0.0068 0.0064 -0.0026 260 LYS 25 HB2 -0.0047 0.0051 -0.0024 261 LYS 25 HB3 -0.0060 0.0044 -0.0027 262 LYS 25 HG2 -0.0046 0.0051 -0.0023 263 LYS 25 HG3 -0.0047 0.0037 -0.0025 264 LYS 25 HD2 -0.0068 0.0036 -0.0030 265 LYS 25 HD3 -0.0070 0.0051 -0.0028 266 LYS 25 HE2 -0.0067 0.0050 -0.0028 267 LYS 25 HE3 -0.0053 0.0044 -0.0026 268 LYS 25 HZ1 -0.0064 0.0031 -0.0030 269 LYS 25 HZ2 -0.0062 0.0024 -0.0030 270 LYS 25 HZ3 -0.0074 0.0030 -0.0032 271 LYS 26 N -0.0022 0.0084 0.0029 272 LYS 26 CA -0.0017 0.0049 0.0040 273 LYS 26 C -0.0014 0.0029 0.0049 274 LYS 26 O -0.0021 0.0041 0.0068 275 LYS 26 CB -0.0024 0.0053 0.0072 276 LYS 26 CG -0.0020 0.0022 0.0085 277 LYS 26 CD -0.0027 0.0032 0.0106 278 LYS 26 CE -0.0038 0.0060 0.0131 279 LYS 26 NZ -0.0043 0.0054 0.0162 280 LYS 26 H -0.0029 0.0097 0.0045 281 LYS 26 HA -0.0010 0.0036 0.0023 282 LYS 26 HB2 -0.0027 0.0070 0.0066 283 LYS 26 HB3 -0.0030 0.0060 0.0090 284 LYS 26 HG2 -0.0020 0.0008 0.0100 285 LYS 26 HG3 -0.0013 0.0008 0.0066 286 LYS 26 HD2 -0.0025 0.0012 0.0119 287 LYS 26 HD3 -0.0025 0.0039 0.0090 288 LYS 26 HE2 -0.0041 0.0082 0.0120 289 LYS 26 HE3 -0.0040 0.0061 0.0139 290 LYS 26 HZ1 -0.0040 0.0044 0.0155 291 LYS 26 HZ2 -0.0050 0.0074 0.0170 292 LYS 26 HZ3 -0.0044 0.0041 0.0178 293 VAL 27 N 0.0001 -0.0013 0.0026 294 VAL 27 CA 0.0007 -0.0025 0.0038 295 VAL 27 C 0.0020 -0.0047 0.0041 296 VAL 27 O 0.0026 -0.0055 0.0028 297 VAL 27 CB 0.0007 -0.0022 0.0024 298 VAL 27 CG1 -0.0006 -0.0000 0.0023 299 VAL 27 CG2 0.0014 -0.0030 0.0001 300 VAL 27 H 0.0006 -0.0019 0.0015 301 VAL 27 HA 0.0002 -0.0021 0.0054 302 VAL 27 HB 0.0010 -0.0030 0.0033 303 VAL 27 HG11 -0.0006 0.0001 0.0015 304 VAL 27 HG12 -0.0011 0.0005 0.0038 305 VAL 27 HG13 -0.0010 0.0007 0.0013 306 VAL 27 HG21 0.0013 -0.0026 -0.0008 307 VAL 27 HG22 0.0012 -0.0025 -0.0007 308 VAL 27 HG23 0.0023 -0.0045 0.0002 309 ALA 28 N 0.0066 -0.0046 0.0034 310 ALA 28 CA 0.0079 -0.0069 0.0038 311 ALA 28 C 0.0065 -0.0079 0.0017 312 ALA 28 O 0.0048 -0.0063 0.0005 313 ALA 28 CB 0.0092 -0.0057 0.0059 314 ALA 28 H 0.0066 -0.0029 0.0042 315 ALA 28 HA 0.0087 -0.0084 0.0041 316 ALA 28 HB1 0.0100 -0.0071 0.0061 317 ALA 28 HB2 0.0101 -0.0050 0.0073 318 ALA 28 HB3 0.0083 -0.0041 0.0056 319 VAL 29 N 0.0096 -0.0117 0.0019 320 VAL 29 CA 0.0096 -0.0119 0.0015 321 VAL 29 C 0.0098 -0.0123 0.0018 322 VAL 29 O 0.0101 -0.0126 0.0020 323 VAL 29 CB 0.0095 -0.0122 0.0011 324 VAL 29 CG1 0.0095 -0.0125 0.0007 325 VAL 29 CG2 0.0093 -0.0119 0.0008 326 VAL 29 H 0.0097 -0.0118 0.0020 327 VAL 29 HA 0.0094 -0.0117 0.0014 328 VAL 29 HB 0.0097 -0.0125 0.0012 329 VAL 29 HG11 0.0094 -0.0126 0.0004 330 VAL 29 HG12 0.0097 -0.0127 0.0009 331 VAL 29 HG13 0.0093 -0.0123 0.0007 332 VAL 29 HG21 0.0092 -0.0121 0.0005 333 VAL 29 HG22 0.0091 -0.0116 0.0008 334 VAL 29 HG23 0.0093 -0.0118 0.0011 335 THR 30 N 0.0113 -0.0054 -0.0042 336 THR 30 CA 0.0115 -0.0038 -0.0052 337 THR 30 C 0.0103 -0.0024 -0.0044 338 THR 30 O 0.0097 -0.0021 -0.0038 339 THR 30 CB 0.0123 -0.0035 -0.0062 340 THR 30 OG1 0.0118 -0.0038 -0.0056 341 THR 30 CG2 0.0135 -0.0048 -0.0072 342 THR 30 H 0.0108 -0.0054 -0.0037 343 THR 30 HA 0.0119 -0.0037 -0.0057 344 THR 30 HB 0.0123 -0.0024 -0.0068 345 THR 30 HG1 0.0112 -0.0030 -0.0052 346 THR 30 HG21 0.0141 -0.0045 -0.0079 347 THR 30 HG22 0.0138 -0.0048 -0.0075 348 THR 30 HG23 0.0135 -0.0059 -0.0066 349 SER 31 N 0.0262 0.0062 0.0027 350 SER 31 CA 0.0181 0.0125 0.0039 351 SER 31 C 0.0209 0.0228 -0.0006 352 SER 31 O 0.0290 0.0242 -0.0043 353 SER 31 CB 0.0149 0.0087 0.0064 354 SER 31 OG 0.0075 0.0154 0.0072 355 SER 31 H 0.0294 0.0026 0.0026 356 SER 31 HA 0.0128 0.0127 0.0060 357 SER 31 HB2 0.0125 0.0025 0.0094 358 SER 31 HB3 0.0203 0.0080 0.0045 359 SER 31 HG 0.0058 0.0132 0.0086 360 SER 32 N 0.0251 0.0508 -0.0068 361 SER 32 CA 0.0251 0.0685 -0.0188 362 SER 32 C 0.0177 0.0670 -0.0171 363 SER 32 O 0.0223 0.0793 -0.0258 364 SER 32 CB 0.0099 0.0827 -0.0272 365 SER 32 OG -0.0116 0.0758 -0.0209 366 SER 32 H 0.0145 0.0499 -0.0053 367 SER 32 HA 0.0401 0.0730 -0.0229 368 SER 32 HB2 0.0082 0.0938 -0.0346 369 SER 32 HB3 0.0167 0.0857 -0.0298 370 SER 32 HG -0.0193 0.0835 -0.0256 371 LYS 33 N 0.0086 0.0453 -0.0112 372 LYS 33 CA -0.0007 0.0384 -0.0089 373 LYS 33 C 0.0041 0.0361 -0.0013 374 LYS 33 O 0.0133 0.0364 0.0062 375 LYS 33 CB -0.0081 0.0308 -0.0037 376 LYS 33 CG -0.0158 0.0319 -0.0121 377 LYS 33 CD -0.0197 0.0259 -0.0063 378 LYS 33 CE -0.0290 0.0261 -0.0146 379 LYS 33 NZ -0.0291 0.0236 -0.0111 380 LYS 33 H 0.0097 0.0438 -0.0079 381 LYS 33 HA -0.0056 0.0402 -0.0157 382 LYS 33 HB2 -0.0030 0.0298 0.0022 383 LYS 33 HB3 -0.0132 0.0259 -0.0008 384 LYS 33 HG2 -0.0226 0.0309 -0.0164 385 LYS 33 HG3 -0.0114 0.0377 -0.0169 386 LYS 33 HD2 -0.0132 0.0275 -0.0031 387 LYS 33 HD3 -0.0230 0.0201 -0.0006 388 LYS 33 HE2 -0.0365 0.0221 -0.0151 389 LYS 33 HE3 -0.0274 0.0317 -0.0218 390 LYS 33 HZ1 -0.0345 0.0239 -0.0161 391 LYS 33 HZ2 -0.0223 0.0271 -0.0104 392 LYS 33 HZ3 -0.0308 0.0184 -0.0045 393 MET 34 N -0.0103 0.0464 -0.0062 394 MET 34 CA -0.0009 0.0459 -0.0037 395 MET 34 C -0.0079 0.0365 0.0035 396 MET 34 O -0.0024 0.0365 0.0048 397 MET 34 CB 0.0015 0.0581 -0.0144 398 MET 34 CG 0.0113 0.0679 -0.0213 399 MET 34 SD 0.0323 0.0690 -0.0176 400 MET 34 CE 0.0375 0.0578 -0.0060 401 MET 34 H -0.0196 0.0481 -0.0099 402 MET 34 HA 0.0093 0.0441 0.0004 403 MET 34 HB2 -0.0087 0.0605 -0.0190 404 MET 34 HB3 0.0069 0.0575 -0.0126 405 MET 34 HG2 0.0095 0.0663 -0.0202 406 MET 34 HG3 0.0081 0.0754 -0.0290 407 MET 34 HE1 0.0487 0.0594 -0.0050 408 MET 34 HE2 0.0349 0.0501 0.0005 409 MET 34 HE3 0.0315 0.0579 -0.0074 410 ASP 35 N -0.0122 0.0282 0.0111 411 ASP 35 CA -0.0165 0.0208 0.0170 412 ASP 35 C -0.0088 0.0155 0.0254 413 ASP 35 O -0.0017 0.0164 0.0272 414 ASP 35 CB -0.0271 0.0166 0.0173 415 ASP 35 CG -0.0261 0.0144 0.0199 416 ASP 35 OD1 -0.0246 0.0199 0.0149 417 ASP 35 OD2 -0.0261 0.0075 0.0270 418 ASP 35 H -0.0151 0.0286 0.0096 419 ASP 35 HA -0.0176 0.0219 0.0155 420 ASP 35 HB2 -0.0300 0.0117 0.0212 421 ASP 35 HB3 -0.0319 0.0200 0.0120 422 ALA 36 N -0.0005 0.0130 0.0286 423 ALA 36 CA 0.0041 0.0092 0.0307 424 ALA 36 C 0.0016 0.0063 0.0294 425 ALA 36 O 0.0045 0.0069 0.0308 426 ALA 36 CB 0.0068 0.0036 0.0318 427 ALA 36 H -0.0009 0.0116 0.0284 428 ALA 36 HA 0.0073 0.0122 0.0323 429 ALA 36 HB1 0.0098 0.0011 0.0331 430 ALA 36 HB2 0.0086 0.0057 0.0327 431 ALA 36 HB3 0.0036 0.0007 0.0301 432 TRP 37 N -0.0045 0.0077 0.0258 433 TRP 37 CA -0.0041 0.0058 0.0275 434 TRP 37 C -0.0040 0.0003 0.0284 435 TRP 37 O -0.0045 -0.0024 0.0270 436 TRP 37 CB -0.0027 0.0083 0.0322 437 TRP 37 CG -0.0022 0.0066 0.0341 438 TRP 37 CD1 -0.0025 0.0086 0.0331 439 TRP 37 CD2 -0.0015 0.0025 0.0373 440 TRP 37 NE1 -0.0019 0.0061 0.0355 441 TRP 37 CE2 -0.0013 0.0023 0.0381 442 TRP 37 CE3 -0.0010 -0.0011 0.0396 443 TRP 37 CZ2 -0.0006 -0.0013 0.0410 444 TRP 37 CZ3 -0.0003 -0.0046 0.0425 445 TRP 37 CH2 -0.0001 -0.0047 0.0432 446 TRP 37 H -0.0040 0.0099 0.0276 447 TRP 37 HA -0.0048 0.0066 0.0251 448 TRP 37 HB2 -0.0028 0.0118 0.0317 449 TRP 37 HB3 -0.0021 0.0075 0.0345 450 TRP 37 HD1 -0.0029 0.0113 0.0311 451 TRP 37 HE1 -0.0019 0.0068 0.0353 452 TRP 37 HE3 -0.0011 -0.0011 0.0391 453 TRP 37 HZ2 -0.0005 -0.0013 0.0414 454 TRP 37 HZ3 0.0001 -0.0070 0.0440 455 TRP 37 HH2 0.0004 -0.0070 0.0451 456 ASN 38 N -0.0021 -0.0021 0.0349 457 ASN 38 CA 0.0018 -0.0011 0.0333 458 ASN 38 C 0.0081 -0.0003 0.0317 459 ASN 38 O 0.0126 -0.0013 0.0324 460 ASN 38 CB -0.0010 0.0024 0.0294 461 ASN 38 CG -0.0049 0.0013 0.0312 462 ASN 38 OD1 -0.0026 -0.0004 0.0330 463 ASN 38 ND2 -0.0108 0.0022 0.0307 464 ASN 38 H -0.0050 -0.0003 0.0331 465 ASN 38 HA 0.0022 -0.0033 0.0359 466 ASN 38 HB2 -0.0035 0.0041 0.0277 467 ASN 38 HB3 0.0022 0.0039 0.0273 468 ASN 38 HD21 -0.0132 0.0016 0.0316 469 ASN 38 HD22 -0.0122 0.0035 0.0294 470 ILE 39 N 0.0004 0.0067 0.0340 471 ILE 39 CA 0.0040 0.0053 0.0299 472 ILE 39 C 0.0049 -0.0036 0.0215 473 ILE 39 O 0.0023 -0.0089 0.0190 474 ILE 39 CB 0.0132 0.0130 0.0291 475 ILE 39 CG1 0.0120 0.0218 0.0375 476 ILE 39 CG2 0.0169 0.0107 0.0241 477 ILE 39 CD1 0.0212 0.0300 0.0372 478 ILE 39 H 0.0040 0.0114 0.0351 479 ILE 39 HA -0.0004 0.0051 0.0331 480 ILE 39 HB 0.0175 0.0138 0.0263 481 ILE 39 HG12 0.0086 0.0215 0.0400 482 ILE 39 HG13 0.0086 0.0225 0.0409 483 ILE 39 HG21 0.0220 0.0160 0.0245 484 ILE 39 HG22 0.0188 0.0059 0.0184 485 ILE 39 HG23 0.0120 0.0088 0.0264 486 ILE 39 HD11 0.0201 0.0354 0.0428 487 ILE 39 HD12 0.0250 0.0301 0.0342 488 ILE 39 HD13 0.0244 0.0297 0.0344 489 PHE 40 N -0.0127 -0.0134 0.0071 490 PHE 40 CA -0.0169 -0.0065 0.0018 491 PHE 40 C -0.0105 -0.0138 0.0102 492 PHE 40 O -0.0148 -0.0205 0.0038 493 PHE 40 CB -0.0165 0.0138 0.0036 494 PHE 40 CG -0.0195 0.0230 0.0001 495 PHE 40 CD1 -0.0299 0.0275 -0.0142 496 PHE 40 CD2 -0.0119 0.0275 0.0109 497 PHE 40 CE1 -0.0326 0.0361 -0.0174 498 PHE 40 CE2 -0.0147 0.0360 0.0076 499 PHE 40 CZ -0.0251 0.0407 -0.0066 500 PHE 40 H -0.0108 -0.0052 0.0104 501 PHE 40 HA -0.0240 -0.0101 -0.0083 502 PHE 40 HB2 -0.0214 0.0181 -0.0029 503 PHE 40 HB3 -0.0095 0.0169 0.0136 504 PHE 40 HD1 -0.0350 0.0246 -0.0215 505 PHE 40 HD2 -0.0049 0.0246 0.0205 506 PHE 40 HE1 -0.0397 0.0387 -0.0271 507 PHE 40 HE2 -0.0096 0.0388 0.0149 508 PHE 40 HZ -0.0270 0.0473 -0.0088 509 GLU 41 N 0.0023 -0.0134 0.0206 510 GLU 41 CA 0.0062 -0.0169 0.0256 511 GLU 41 C 0.0058 -0.0282 0.0241 512 GLU 41 O 0.0067 -0.0317 0.0249 513 GLU 41 CB 0.0128 -0.0143 0.0346 514 GLU 41 CG 0.0161 -0.0101 0.0393 515 GLU 41 CD 0.0133 0.0002 0.0365 516 GLU 41 OE1 0.0094 0.0049 0.0317 517 GLU 41 OE2 0.0151 0.0035 0.0391 518 GLU 41 H 0.0042 -0.0110 0.0233 519 GLU 41 HA 0.0049 -0.0134 0.0241 520 GLU 41 HB2 0.0128 -0.0092 0.0349 521 GLU 41 HB3 0.0151 -0.0204 0.0371 522 GLU 41 HG2 0.0204 -0.0093 0.0450 523 GLU 41 HG3 0.0159 -0.0149 0.0386 524 GLY 42 N 0.0069 -0.0358 0.0251 525 GLY 42 CA 0.0068 -0.0509 0.0218 526 GLY 42 C -0.0008 -0.0539 0.0113 527 GLY 42 O 0.0001 -0.0647 0.0101 528 GLY 42 H 0.0058 -0.0330 0.0243 529 GLY 42 HA2 0.0124 -0.0551 0.0281 530 GLY 42 HA3 0.0063 -0.0556 0.0202 531 LEU 43 N -0.0070 -0.0709 0.0006 532 LEU 43 CA -0.0302 -0.0738 -0.0246 533 LEU 43 C -0.0285 -0.0563 -0.0206 534 LEU 43 O -0.0419 -0.0676 -0.0365 535 LEU 43 CB -0.0533 -0.0544 -0.0471 536 LEU 43 CG -0.0601 -0.0720 -0.0566 537 LEU 43 CD1 -0.0773 -0.0445 -0.0716 538 LEU 43 CD2 -0.0738 -0.1077 -0.0756 539 LEU 43 H -0.0083 -0.0531 0.0014 540 LEU 43 HA -0.0328 -0.1001 -0.0307 541 LEU 43 HB2 -0.0497 -0.0287 -0.0400 542 LEU 43 HB3 -0.0683 -0.0545 -0.0632 543 LEU 43 HG -0.0445 -0.0786 -0.0406 544 LEU 43 HD11 -0.0817 -0.0565 -0.0777 545 LEU 43 HD12 -0.0682 -0.0226 -0.0591 546 LEU 43 HD13 -0.0929 -0.0373 -0.0874 547 LEU 43 HD21 -0.0783 -0.1185 -0.0819 548 LEU 43 HD22 -0.0892 -0.1011 -0.0914 549 LEU 43 HD23 -0.0622 -0.1256 -0.0654 550 VAL 44 N -0.0184 -0.0391 -0.0003 551 VAL 44 CA -0.0171 -0.0290 0.0025 552 VAL 44 C -0.0047 -0.0340 0.0111 553 VAL 44 O -0.0048 -0.0345 0.0110 554 VAL 44 CB -0.0181 -0.0111 0.0048 555 VAL 44 CG1 -0.0096 -0.0085 0.0117 556 VAL 44 CG2 -0.0144 -0.0010 0.0093 557 VAL 44 H -0.0138 -0.0368 0.0037 558 VAL 44 HA -0.0243 -0.0304 -0.0032 559 VAL 44 HB -0.0270 -0.0076 -0.0014 560 VAL 44 HG11 -0.0060 0.0017 0.0162 561 VAL 44 HG12 -0.0148 -0.0083 0.0078 562 VAL 44 HG13 -0.0027 -0.0172 0.0155 563 VAL 44 HG21 -0.0175 0.0101 0.0088 564 VAL 44 HG22 -0.0051 -0.0021 0.0162 565 VAL 44 HG23 -0.0184 -0.0048 0.0056 566 VAL 44 N -0.0184 -0.0392 -0.0002 567 VAL 44 CA -0.0173 -0.0285 0.0024 568 VAL 44 C -0.0047 -0.0323 0.0114 569 VAL 44 O -0.0047 -0.0296 0.0119 570 VAL 44 CB -0.0190 -0.0106 0.0041 571 VAL 44 CG1 -0.0326 -0.0059 -0.0054 572 VAL 44 CG2 -0.0085 -0.0067 0.0129 573 VAL 44 H -0.0136 -0.0372 0.0037 574 VAL 44 HA -0.0243 -0.0302 -0.0032 575 VAL 44 HB -0.0182 -0.0042 0.0059 576 VAL 44 HG11 -0.0364 0.0035 -0.0068 577 VAL 44 HG12 -0.0377 -0.0147 -0.0109 578 VAL 44 HG13 -0.0319 -0.0034 -0.0045 579 VAL 44 HG21 -0.0116 0.0028 0.0121 580 VAL 44 HG22 -0.0065 -0.0157 0.0129 581 VAL 44 HG23 -0.0009 -0.0046 0.0190 582 MET 45 N 0.0029 -0.0278 0.0192 583 MET 45 CA 0.0068 -0.0267 0.0188 584 MET 45 C 0.0082 -0.0313 0.0191 585 MET 45 O 0.0124 -0.0331 0.0189 586 MET 45 CB 0.0115 -0.0249 0.0182 587 MET 45 CG 0.0109 -0.0202 0.0178 588 MET 45 SD 0.0114 -0.0145 0.0172 589 MET 45 CE 0.0178 -0.0143 0.0166 590 MET 45 H 0.0037 -0.0299 0.0194 591 MET 45 HA 0.0056 -0.0241 0.0186 592 MET 45 HB2 0.0125 -0.0274 0.0183 593 MET 45 HB3 0.0140 -0.0244 0.0179 594 MET 45 HG2 0.0077 -0.0202 0.0181 595 MET 45 HG3 0.0134 -0.0201 0.0176 596 MET 45 HE1 0.0184 -0.0113 0.0163 597 MET 45 HE2 0.0197 -0.0144 0.0165 598 MET 45 HE3 0.0186 -0.0171 0.0168 599 GLY 46 N 0.0097 -0.0409 0.0120 600 GLY 46 CA 0.0101 -0.0398 0.0104 601 GLY 46 C 0.0110 -0.0318 0.0084 602 GLY 46 O 0.0112 -0.0303 0.0079 603 GLY 46 H 0.0091 -0.0391 0.0163 604 GLY 46 HA2 0.0106 -0.0431 0.0063 605 GLY 46 HA3 0.0092 -0.0412 0.0148 606 SER 47 N 0.0061 -0.0154 0.0082 607 SER 47 CA 0.0058 -0.0117 0.0075 608 SER 47 C 0.0067 -0.0092 0.0046 609 SER 47 O 0.0069 -0.0095 0.0041 610 SER 47 CB 0.0040 -0.0094 0.0109 611 SER 47 OG 0.0032 -0.0090 0.0127 612 SER 47 H 0.0062 -0.0153 0.0078 613 SER 47 HA 0.0063 -0.0122 0.0065 614 SER 47 HB2 0.0039 -0.0068 0.0103 615 SER 47 HB3 0.0035 -0.0108 0.0126 616 SER 47 HG 0.0024 -0.0097 0.0149 617 VAL 48 N 0.0035 -0.0047 0.0045 618 VAL 48 CA 0.0037 -0.0033 0.0021 619 VAL 48 C 0.0025 -0.0006 0.0021 620 VAL 48 O 0.0018 -0.0001 0.0035 621 VAL 48 CB 0.0048 -0.0043 -0.0001 622 VAL 48 CG1 0.0060 -0.0068 -0.0004 623 VAL 48 CG2 0.0047 -0.0043 0.0003 624 VAL 48 H 0.0032 -0.0044 0.0051 625 VAL 48 HA 0.0037 -0.0033 0.0018 626 VAL 48 HB 0.0049 -0.0033 -0.0016 627 VAL 48 HG11 0.0067 -0.0074 -0.0018 628 VAL 48 HG12 0.0061 -0.0067 -0.0008 629 VAL 48 HG13 0.0060 -0.0079 0.0011 630 VAL 48 HG21 0.0055 -0.0051 -0.0010 631 VAL 48 HG22 0.0046 -0.0052 0.0019 632 VAL 48 HG23 0.0040 -0.0027 0.0002 633 TRP 49 N -0.0017 0.0044 -0.0004 634 TRP 49 CA -0.0019 0.0063 -0.0009 635 TRP 49 C -0.0012 0.0063 -0.0027 636 TRP 49 O -0.0005 0.0057 -0.0039 637 TRP 49 CB -0.0022 0.0076 -0.0009 638 TRP 49 CG -0.0031 0.0081 0.0008 639 TRP 49 CD1 -0.0033 0.0076 0.0016 640 TRP 49 CD2 -0.0038 0.0093 0.0020 641 TRP 49 NE1 -0.0042 0.0084 0.0032 642 TRP 49 CE2 -0.0045 0.0094 0.0035 643 TRP 49 CE3 -0.0040 0.0102 0.0018 644 TRP 49 CZ2 -0.0053 0.0104 0.0049 645 TRP 49 CZ3 -0.0048 0.0113 0.0032 646 TRP 49 CH2 -0.0055 0.0114 0.0047 647 TRP 49 H -0.0015 0.0042 -0.0008 648 TRP 49 HA -0.0024 0.0066 0.0000 649 TRP 49 HB2 -0.0018 0.0071 -0.0015 650 TRP 49 HB3 -0.0022 0.0088 -0.0016 651 TRP 49 HD1 -0.0030 0.0069 0.0012 652 TRP 49 HE1 -0.0044 0.0082 0.0040 653 TRP 49 HE3 -0.0036 0.0102 0.0009 654 TRP 49 HZ2 -0.0057 0.0105 0.0058 655 TRP 49 HZ3 -0.0049 0.0119 0.0032 656 TRP 49 HH2 -0.0060 0.0121 0.0056 657 VAL 50 N -0.0033 0.0042 -0.0043 658 VAL 50 CA -0.0029 0.0043 -0.0054 659 VAL 50 C -0.0037 0.0059 -0.0061 660 VAL 50 O -0.0047 0.0067 -0.0052 661 VAL 50 CB -0.0028 0.0035 -0.0045 662 VAL 50 CG1 -0.0023 0.0036 -0.0056 663 VAL 50 CG2 -0.0020 0.0019 -0.0036 664 VAL 50 H -0.0039 0.0045 -0.0034 665 VAL 50 HA -0.0021 0.0038 -0.0063 666 VAL 50 HB -0.0035 0.0040 -0.0036 667 VAL 50 HG11 -0.0020 0.0029 -0.0051 668 VAL 50 HG12 -0.0028 0.0046 -0.0059 669 VAL 50 HG13 -0.0016 0.0033 -0.0066 670 VAL 50 HG21 -0.0019 0.0014 -0.0031 671 VAL 50 HG22 -0.0013 0.0014 -0.0044 672 VAL 50 HG23 -0.0024 0.0019 -0.0028 673 ILE 51 N -0.0063 0.0057 -0.0068 674 ILE 51 CA -0.0060 0.0064 -0.0069 675 ILE 51 C -0.0047 0.0060 -0.0072 676 ILE 51 O -0.0038 0.0064 -0.0074 677 ILE 51 CB -0.0061 0.0078 -0.0071 678 ILE 51 CG1 -0.0073 0.0082 -0.0069 679 ILE 51 CG2 -0.0061 0.0085 -0.0072 680 ILE 51 CD1 -0.0071 0.0086 -0.0070 681 ILE 51 H -0.0058 0.0057 -0.0069 682 ILE 51 HA -0.0066 0.0062 -0.0068 683 ILE 51 HB -0.0054 0.0080 -0.0073 684 ILE 51 HG12 -0.0077 0.0089 -0.0069 685 ILE 51 HG13 -0.0078 0.0075 -0.0067 686 ILE 51 HG21 -0.0062 0.0094 -0.0073 687 ILE 51 HG22 -0.0053 0.0083 -0.0073 688 ILE 51 HG23 -0.0068 0.0082 -0.0070 689 ILE 51 HD11 -0.0079 0.0088 -0.0068 690 ILE 51 HD12 -0.0067 0.0079 -0.0070 691 ILE 51 HD13 -0.0065 0.0093 -0.0072 692 ARG 52 N -0.0029 0.0022 -0.0078 693 ARG 52 CA -0.0026 0.0019 -0.0069 694 ARG 52 C -0.0020 0.0009 -0.0057 695 ARG 52 O -0.0014 0.0000 -0.0060 696 ARG 52 CB -0.0022 0.0013 -0.0078 697 ARG 52 CG -0.0019 0.0008 -0.0070 698 ARG 52 CD -0.0014 0.0001 -0.0081 699 ARG 52 NE -0.0011 -0.0004 -0.0074 700 ARG 52 CZ -0.0006 -0.0011 -0.0082 701 ARG 52 NH1 -0.0005 -0.0013 -0.0097 702 ARG 52 NH2 -0.0004 -0.0015 -0.0075 703 ARG 52 H -0.0026 0.0018 -0.0087 704 ARG 52 HA -0.0031 0.0026 -0.0063 705 ARG 52 HB2 -0.0027 0.0019 -0.0086 706 ARG 52 HB3 -0.0017 0.0005 -0.0083 707 ARG 52 HG2 -0.0016 0.0003 -0.0061 708 ARG 52 HG3 -0.0024 0.0016 -0.0066 709 ARG 52 HD2 -0.0018 0.0007 -0.0089 710 ARG 52 HD3 -0.0010 -0.0006 -0.0085 711 ARG 52 HE -0.0012 -0.0003 -0.0065 712 ARG 52 HH11 -0.0007 -0.0011 -0.0102 713 ARG 52 HH12 -0.0002 -0.0018 -0.0102 714 ARG 52 HH21 -0.0005 -0.0014 -0.0065 715 ARG 52 HH22 -0.0001 -0.0020 -0.0080 716 GLN 53 N -0.0062 -0.0024 -0.0047 717 GLN 53 CA -0.0063 -0.0047 -0.0027 718 GLN 53 C -0.0065 -0.0079 -0.0002 719 GLN 53 O -0.0065 -0.0077 0.0006 720 GLN 53 CB -0.0062 -0.0019 -0.0002 721 GLN 53 CG -0.0060 0.0020 -0.0024 722 GLN 53 CD -0.0060 0.0012 -0.0056 723 GLN 53 OE1 -0.0062 -0.0012 -0.0049 724 GLN 53 NE2 -0.0059 0.0030 -0.0091 725 GLN 53 H -0.0061 -0.0006 -0.0032 726 GLN 53 HA -0.0064 -0.0061 -0.0046 727 GLN 53 HB2 -0.0062 -0.0011 0.0021 728 GLN 53 HB3 -0.0063 -0.0033 0.0006 729 GLN 53 HG2 -0.0060 0.0032 -0.0036 730 GLN 53 HG3 -0.0060 0.0038 -0.0005 731 GLN 53 HE21 -0.0058 0.0046 -0.0094 732 GLN 53 HE22 -0.0059 0.0027 -0.0110 733 LYS 54 N -0.0139 -0.0196 0.0091 734 LYS 54 CA -0.0127 -0.0202 0.0089 735 LYS 54 C -0.0208 -0.0160 0.0102 736 LYS 54 O -0.0202 -0.0149 0.0088 737 LYS 54 CB -0.0096 -0.0283 0.0146 738 LYS 54 CG -0.0002 -0.0327 0.0126 739 LYS 54 CD 0.0019 -0.0411 0.0191 740 LYS 54 CE 0.0087 -0.0453 0.0186 741 LYS 54 NZ 0.0167 -0.0438 0.0120 742 LYS 54 H -0.0131 -0.0237 0.0125 743 LYS 54 HA -0.0084 -0.0181 0.0041 744 LYS 54 HB2 -0.0128 -0.0307 0.0189 745 LYS 54 HB3 -0.0106 -0.0286 0.0155 746 LYS 54 HG2 0.0032 -0.0314 0.0091 747 LYS 54 HG3 0.0013 -0.0317 0.0106 748 LYS 54 HD2 -0.0032 -0.0421 0.0234 749 LYS 54 HD3 0.0042 -0.0428 0.0192 750 LYS 54 HE2 0.0063 -0.0438 0.0188 751 LYS 54 HE3 0.0101 -0.0506 0.0227 752 LYS 54 HZ1 0.0204 -0.0463 0.0119 753 LYS 54 HZ2 0.0190 -0.0452 0.0117 754 LYS 54 HZ3 0.0155 -0.0389 0.0082 755 ASP 55 N -0.0126 -0.0193 0.0137 756 ASP 55 CA -0.0162 -0.0154 0.0182 757 ASP 55 C -0.0165 -0.0085 0.0156 758 ASP 55 O -0.0195 -0.0044 0.0189 759 ASP 55 CB -0.0191 -0.0150 0.0231 760 ASP 55 CG -0.0192 -0.0105 0.0212 761 ASP 55 OD1 -0.0164 -0.0092 0.0158 762 ASP 55 OD2 -0.0220 -0.0081 0.0250 763 ASP 55 H -0.0123 -0.0184 0.0128 764 ASP 55 HA -0.0167 -0.0177 0.0201 765 ASP 55 HB2 -0.0215 -0.0133 0.0265 766 ASP 55 HB3 -0.0187 -0.0194 0.0244 767 ASP 56 N -0.0077 -0.0045 0.0023 768 ASP 56 CA -0.0077 -0.0020 0.0008 769 ASP 56 C -0.0084 0.0003 0.0009 770 ASP 56 O -0.0085 0.0025 -0.0001 771 ASP 56 CB -0.0083 -0.0011 0.0014 772 ASP 56 CG -0.0073 -0.0028 0.0006 773 ASP 56 OD1 -0.0061 -0.0043 -0.0010 774 ASP 56 OD2 -0.0078 -0.0025 0.0013 775 ASP 56 H -0.0069 -0.0056 0.0014 776 ASP 56 HA -0.0067 -0.0024 -0.0009 777 ASP 56 HB2 -0.0092 -0.0011 0.0032 778 ASP 56 HB3 -0.0084 0.0008 0.0006 779 SER 57 N -0.0050 0.0003 0.0034 780 SER 57 CA -0.0043 0.0032 0.0023 781 SER 57 C -0.0035 0.0032 -0.0015 782 SER 57 O -0.0036 0.0007 -0.0031 783 SER 57 CB -0.0045 0.0033 0.0032 784 SER 57 OG -0.0046 0.0006 0.0017 785 SER 57 H -0.0055 -0.0012 0.0043 786 SER 57 HA -0.0041 0.0052 0.0032 787 SER 57 HB2 -0.0040 0.0054 0.0025 788 SER 57 HB3 -0.0050 0.0032 0.0056 789 SER 57 HG -0.0047 0.0008 0.0022 790 LEU 58 N -0.0016 0.0045 -0.0070 791 LEU 58 CA -0.0021 0.0046 -0.0074 792 LEU 58 C -0.0018 0.0053 -0.0080 793 LEU 58 O -0.0011 0.0057 -0.0080 794 LEU 58 CB -0.0021 0.0043 -0.0070 795 LEU 58 CG -0.0023 0.0036 -0.0064 796 LEU 58 CD1 -0.0017 0.0034 -0.0057 797 LEU 58 CD2 -0.0031 0.0032 -0.0064 798 LEU 58 H -0.0011 0.0047 -0.0068 799 LEU 58 HA -0.0026 0.0045 -0.0076 800 LEU 58 HB2 -0.0015 0.0044 -0.0068 801 LEU 58 HB3 -0.0024 0.0043 -0.0073 802 LEU 58 HG -0.0025 0.0034 -0.0063 803 LEU 58 HD11 -0.0018 0.0029 -0.0053 804 LEU 58 HD12 -0.0012 0.0036 -0.0057 805 LEU 58 HD13 -0.0015 0.0035 -0.0058 806 LEU 58 HD21 -0.0032 0.0027 -0.0060 807 LEU 58 HD22 -0.0030 0.0033 -0.0065 808 LEU 58 HD23 -0.0035 0.0033 -0.0068 809 LYS 59 N -0.0035 0.0061 -0.0097 810 LYS 59 CA -0.0025 0.0057 -0.0103 811 LYS 59 C -0.0024 0.0053 -0.0087 812 LYS 59 O -0.0036 0.0057 -0.0077 813 LYS 59 CB -0.0032 0.0064 -0.0117 814 LYS 59 CG -0.0031 0.0068 -0.0135 815 LYS 59 CD -0.0042 0.0077 -0.0147 816 LYS 59 CE -0.0041 0.0080 -0.0163 817 LYS 59 NZ -0.0031 0.0078 -0.0178 818 LYS 59 H -0.0044 0.0066 -0.0094 819 LYS 59 HA -0.0015 0.0052 -0.0108 820 LYS 59 HB2 -0.0043 0.0070 -0.0114 821 LYS 59 HB3 -0.0027 0.0062 -0.0119 822 LYS 59 HG2 -0.0020 0.0063 -0.0140 823 LYS 59 HG3 -0.0032 0.0068 -0.0133 824 LYS 59 HD2 -0.0052 0.0082 -0.0141 825 LYS 59 HD3 -0.0039 0.0076 -0.0150 826 LYS 59 HE2 -0.0037 0.0077 -0.0161 827 LYS 59 HE3 -0.0051 0.0087 -0.0166 828 LYS 59 HZ1 -0.0035 0.0081 -0.0180 829 LYS 59 HZ2 -0.0022 0.0072 -0.0175 830 LYS 59 HZ3 -0.0031 0.0080 -0.0187 831 VAL 60 N 0.0005 0.0025 -0.0091 832 VAL 60 CA 0.0006 0.0016 -0.0068 833 VAL 60 C 0.0013 0.0007 -0.0069 834 VAL 60 O 0.0024 -0.0003 -0.0083 835 VAL 60 CB 0.0015 0.0001 -0.0060 836 VAL 60 CG1 0.0017 -0.0010 -0.0037 837 VAL 60 CG2 0.0009 0.0009 -0.0058 838 VAL 60 H 0.0013 0.0019 -0.0102 839 VAL 60 HA -0.0003 0.0025 -0.0058 840 VAL 60 HB 0.0024 -0.0008 -0.0070 841 VAL 60 HG11 0.0020 -0.0017 -0.0029 842 VAL 60 HG12 0.0024 -0.0019 -0.0039 843 VAL 60 HG13 0.0008 -0.0001 -0.0027 844 VAL 60 HG21 0.0014 -0.0001 -0.0051 845 VAL 60 HG22 -0.0001 0.0020 -0.0050 846 VAL 60 HG23 0.0009 0.0013 -0.0074 847 PHE 61 N -0.0019 0.0046 -0.0023 848 PHE 61 CA -0.0011 0.0036 -0.0024 849 PHE 61 C -0.0005 0.0028 0.0001 850 PHE 61 O -0.0013 0.0035 0.0021 851 PHE 61 CB -0.0022 0.0050 -0.0032 852 PHE 61 CG -0.0029 0.0060 -0.0057 853 PHE 61 CD1 -0.0019 0.0051 -0.0079 854 PHE 61 CD2 -0.0045 0.0079 -0.0060 855 PHE 61 CE1 -0.0025 0.0059 -0.0102 856 PHE 61 CE2 -0.0051 0.0088 -0.0083 857 PHE 61 CZ -0.0041 0.0078 -0.0104 858 PHE 61 H -0.0027 0.0054 -0.0012 859 PHE 61 HA -0.0001 0.0026 -0.0036 860 PHE 61 HB2 -0.0031 0.0060 -0.0020 861 PHE 61 HB3 -0.0016 0.0044 -0.0033 862 PHE 61 HD1 -0.0009 0.0038 -0.0078 863 PHE 61 HD2 -0.0051 0.0085 -0.0045 864 PHE 61 HE1 -0.0019 0.0053 -0.0116 865 PHE 61 HE2 -0.0062 0.0100 -0.0084 866 PHE 61 HZ -0.0045 0.0083 -0.0120 867 SER 62 N 0.0036 -0.0001 0.0015 868 SER 62 CA 0.0034 -0.0013 0.0048 869 SER 62 C 0.0017 0.0012 0.0066 870 SER 62 O 0.0011 0.0031 0.0052 871 SER 62 CB 0.0047 -0.0038 0.0047 872 SER 62 OG 0.0046 -0.0051 0.0078 873 SER 62 H 0.0044 -0.0009 -0.0001 874 SER 62 HA 0.0035 -0.0021 0.0060 875 SER 62 HB2 0.0058 -0.0054 0.0035 876 SER 62 HB3 0.0046 -0.0030 0.0035 877 SER 62 HG 0.0041 -0.0048 0.0092 878 THR 63 N 0.0032 0.0013 0.0059 879 THR 63 CA 0.0013 0.0033 0.0079 880 THR 63 C 0.0004 0.0033 0.0091 881 THR 63 O -0.0011 0.0051 0.0107 882 THR 63 CB -0.0000 0.0021 0.0101 883 THR 63 OG1 -0.0000 -0.0011 0.0110 884 THR 63 CG2 0.0006 0.0024 0.0091 885 THR 63 H 0.0033 -0.0005 0.0064 886 THR 63 HA 0.0013 0.0054 0.0072 887 THR 63 HB -0.0013 0.0035 0.0114 888 THR 63 HG1 -0.0007 -0.0018 0.0121 889 THR 63 HG21 -0.0002 0.0016 0.0105 890 THR 63 HG22 0.0006 0.0046 0.0085 891 THR 63 HG23 0.0019 0.0012 0.0077 892 ASN 64 N 0.0007 0.0022 0.0106 893 ASN 64 CA -0.0000 0.0025 0.0111 894 ASN 64 C 0.0006 0.0054 0.0094 895 ASN 64 O 0.0029 0.0057 0.0074 896 ASN 64 CB 0.0015 -0.0003 0.0111 897 ASN 64 CG 0.0007 -0.0005 0.0118 898 ASN 64 OD1 -0.0016 -0.0003 0.0136 899 ASN 64 ND2 0.0026 -0.0009 0.0104 900 ASN 64 H 0.0023 0.0012 0.0098 901 ASN 64 HA -0.0019 0.0028 0.0126 902 ASN 64 HB2 0.0013 -0.0022 0.0121 903 ASN 64 HB3 0.0034 -0.0004 0.0096 904 ASN 64 HD21 0.0022 -0.0010 0.0108 905 ASN 64 HD22 0.0042 -0.0011 0.0092 906 ASN 64 N 0.0007 0.0021 0.0107 907 ASN 64 CA -0.0001 0.0027 0.0111 908 ASN 64 C 0.0005 0.0057 0.0094 909 ASN 64 O 0.0027 0.0061 0.0074 910 ASN 64 CB 0.0011 0.0000 0.0112 911 ASN 64 CG 0.0002 -0.0028 0.0133 912 ASN 64 OD1 -0.0021 -0.0026 0.0150 913 ASN 64 ND2 0.0018 -0.0055 0.0131 914 ASN 64 H 0.0022 0.0009 0.0100 915 ASN 64 HA -0.0020 0.0030 0.0126 916 ASN 64 HB2 0.0030 -0.0005 0.0100 917 ASN 64 HB3 0.0008 0.0006 0.0113 918 ASN 64 HD21 0.0013 -0.0072 0.0142 919 ASN 64 HD22 0.0033 -0.0055 0.0119 920 CYS 65 N 0.0001 0.0075 0.0083 921 CYS 65 CA -0.0001 0.0078 0.0073 922 CYS 65 C 0.0009 0.0075 0.0066 923 CYS 65 O 0.0015 0.0071 0.0069 924 CYS 65 CB -0.0007 0.0081 0.0072 925 CYS 65 SG -0.0010 0.0085 0.0059 926 CYS 65 HA -0.0004 0.0080 0.0070 927 CYS 65 HB2 -0.0013 0.0083 0.0076 928 CYS 65 HB3 -0.0004 0.0079 0.0074 929 CYS 65 H -0.0002 0.0075 0.0088 930 CYS 65 H -0.0001 0.0075 0.0087 931 PRO 66 N -0.0009 0.0075 0.0062 932 PRO 66 CA -0.0004 0.0072 0.0058 933 PRO 66 C -0.0005 0.0073 0.0057 934 PRO 66 O -0.0001 0.0070 0.0054 935 PRO 66 CB -0.0002 0.0075 0.0051 936 PRO 66 CG -0.0008 0.0081 0.0050 937 PRO 66 CD -0.0011 0.0080 0.0058 938 PRO 66 HA -0.0002 0.0068 0.0060 939 PRO 66 HB2 -0.0001 0.0075 0.0047 940 PRO 66 HB3 0.0000 0.0072 0.0050 941 PRO 66 HG2 -0.0009 0.0084 0.0049 942 PRO 66 HG3 -0.0007 0.0082 0.0047 943 PRO 66 HD2 -0.0015 0.0084 0.0059 944 PRO 66 HD3 -0.0010 0.0079 0.0059 945 HIS 67 N 0.0012 0.0114 0.0049 946 HIS 67 CA 0.0026 0.0107 0.0031 947 HIS 67 C 0.0041 0.0131 0.0017 948 HIS 67 O 0.0043 0.0146 0.0018 949 HIS 67 CB 0.0032 0.0080 0.0018 950 HIS 67 CG 0.0046 0.0073 -0.0002 951 HIS 67 ND1 0.0062 0.0065 -0.0022 952 HIS 67 CD2 0.0048 0.0072 -0.0004 953 HIS 67 CE1 0.0072 0.0059 -0.0036 954 HIS 67 NE2 0.0064 0.0063 -0.0025 955 HIS 67 H 0.0012 0.0105 0.0047 956 HIS 67 HA 0.0021 0.0104 0.0036 957 HIS 67 HB2 0.0022 0.0065 0.0027 958 HIS 67 HB3 0.0037 0.0082 0.0012 959 HIS 67 HD2 0.0040 0.0076 0.0007 960 HIS 67 HE1 0.0083 0.0053 -0.0050 961 HIS 67 HE2 0.0069 0.0061 -0.0031 962 LEU 68 N 0.0068 0.0121 0.0022 963 LEU 68 CA 0.0079 0.0147 -0.0002 964 LEU 68 C 0.0076 0.0138 0.0012 965 LEU 68 O 0.0079 0.0147 -0.0014 966 LEU 68 CB 0.0076 0.0147 -0.0052 967 LEU 68 CG 0.0085 0.0168 -0.0068 968 LEU 68 CD1 0.0081 0.0165 -0.0118 969 LEU 68 CD2 0.0107 0.0212 -0.0056 970 LEU 68 H 0.0056 0.0096 0.0023 971 LEU 68 HA 0.0093 0.0175 0.0007 972 LEU 68 HB2 0.0062 0.0120 -0.0061 973 LEU 68 HB3 0.0082 0.0161 -0.0066 974 LEU 68 HG 0.0080 0.0155 -0.0054 975 LEU 68 HD11 0.0086 0.0178 -0.0128 976 LEU 68 HD12 0.0067 0.0137 -0.0125 977 LEU 68 HD13 0.0086 0.0177 -0.0132 978 LEU 68 HD21 0.0112 0.0225 -0.0073 979 LEU 68 HD22 0.0112 0.0224 -0.0063 980 LEU 68 HD23 0.0110 0.0214 -0.0025 981 GLY 69 N 0.0022 0.0072 0.0081 982 GLY 69 CA 0.0023 0.0055 0.0100 983 GLY 69 C -0.0000 0.0051 0.0112 984 GLY 69 O -0.0001 0.0036 0.0128 985 GLY 69 H 0.0025 0.0078 0.0074 986 GLY 69 HA2 0.0033 0.0051 0.0099 987 GLY 69 HA3 0.0030 0.0047 0.0105 988 CYS 70 N 0.0061 0.0076 0.0057 989 CYS 70 CA 0.0063 0.0078 0.0057 990 CYS 70 C 0.0041 0.0084 0.0072 991 CYS 70 O 0.0024 0.0082 0.0080 992 CYS 70 CB 0.0067 0.0056 0.0044 993 CYS 70 SG 0.0095 0.0051 0.0027 994 CYS 70 H 0.0061 0.0063 0.0051 995 CYS 70 HA 0.0075 0.0090 0.0056 996 CYS 70 HB2 0.0056 0.0043 0.0044 997 CYS 70 HB3 0.0065 0.0057 0.0046 998 GLY 71 N 0.0045 0.0064 0.0098 999 GLY 71 CA 0.0031 0.0074 0.0101 1000 GLY 71 C 0.0014 0.0080 0.0088 1001 GLY 71 O 0.0008 0.0082 0.0085 1002 GLY 71 H 0.0048 0.0066 0.0108 1003 GLY 71 HA2 0.0035 0.0071 0.0099 1004 GLY 71 HA3 0.0029 0.0079 0.0115 1005 ILE 72 N -0.0023 0.0108 0.0075 1006 ILE 72 CA -0.0029 0.0115 0.0068 1007 ILE 72 C -0.0033 0.0126 0.0072 1008 ILE 72 O -0.0033 0.0127 0.0073 1009 ILE 72 CB -0.0031 0.0112 0.0057 1010 ILE 72 CG1 -0.0027 0.0101 0.0053 1011 ILE 72 CG2 -0.0037 0.0119 0.0050 1012 ILE 72 CD1 -0.0028 0.0097 0.0042 1013 ILE 72 H -0.0023 0.0106 0.0073 1014 ILE 72 HA -0.0029 0.0115 0.0069 1015 ILE 72 HB -0.0031 0.0111 0.0057 1016 ILE 72 HG12 -0.0028 0.0102 0.0053 1017 ILE 72 HG13 -0.0023 0.0097 0.0058 1018 ILE 72 HG21 -0.0038 0.0117 0.0043 1019 ILE 72 HG22 -0.0039 0.0125 0.0052 1020 ILE 72 HG23 -0.0037 0.0121 0.0051 1021 ILE 72 HD11 -0.0027 0.0091 0.0040 1022 ILE 72 HD12 -0.0027 0.0095 0.0043 1023 ILE 72 HD13 -0.0032 0.0102 0.0037 1024 ASP 73 N -0.0012 0.0110 0.0033 1025 ASP 73 CA -0.0020 0.0127 0.0038 1026 ASP 73 C -0.0036 0.0130 0.0026 1027 ASP 73 O -0.0040 0.0120 0.0015 1028 ASP 73 CB -0.0013 0.0130 0.0046 1029 ASP 73 CG 0.0002 0.0127 0.0059 1030 ASP 73 OD1 0.0006 0.0131 0.0066 1031 ASP 73 OD2 0.0010 0.0121 0.0062 1032 ASP 73 H -0.0010 0.0104 0.0030 1033 ASP 73 HA -0.0019 0.0133 0.0043 1034 ASP 73 HB2 -0.0014 0.0123 0.0040 1035 ASP 73 HB3 -0.0019 0.0141 0.0049 1036 TRP 74 N -0.0041 0.0161 -0.0028 1037 TRP 74 CA -0.0047 0.0149 -0.0020 1038 TRP 74 C -0.0037 0.0136 -0.0025 1039 TRP 74 O -0.0028 0.0142 -0.0034 1040 TRP 74 CB -0.0056 0.0158 -0.0014 1041 TRP 74 CG -0.0062 0.0146 -0.0006 1042 TRP 74 CD1 -0.0059 0.0143 -0.0008 1043 TRP 74 CD2 -0.0072 0.0135 0.0005 1044 TRP 74 NE1 -0.0067 0.0131 0.0001 1045 TRP 74 CE2 -0.0075 0.0126 0.0009 1046 TRP 74 CE3 -0.0079 0.0133 0.0011 1047 TRP 74 CZ2 -0.0084 0.0115 0.0019 1048 TRP 74 CZ3 -0.0088 0.0122 0.0021 1049 TRP 74 CH2 -0.0091 0.0113 0.0025 1050 TRP 74 H -0.0038 0.0169 -0.0032 1051 TRP 74 HA -0.0052 0.0143 -0.0014 1052 TRP 74 HB2 -0.0064 0.0165 -0.0009 1053 TRP 74 HB3 -0.0052 0.0165 -0.0020 1054 TRP 74 HD1 -0.0053 0.0147 -0.0014 1055 TRP 74 HE1 -0.0067 0.0127 0.0002 1056 TRP 74 HE3 -0.0078 0.0139 0.0008 1057 TRP 74 HZ2 -0.0086 0.0109 0.0022 1058 TRP 74 HZ3 -0.0093 0.0120 0.0026 1059 TRP 74 HH2 -0.0097 0.0105 0.0032 1060 ALA 75 N -0.0004 0.0131 -0.0076 1061 ALA 75 CA 0.0023 0.0083 -0.0094 1062 ALA 75 C 0.0013 0.0049 -0.0063 1063 ALA 75 O -0.0006 0.0028 -0.0024 1064 ALA 75 CB 0.0033 0.0055 -0.0096 1065 ALA 75 H -0.0018 0.0127 -0.0053 1066 ALA 75 HA 0.0041 0.0090 -0.0125 1067 ALA 75 HB1 0.0051 0.0022 -0.0108 1068 ALA 75 HB2 0.0040 0.0077 -0.0117 1069 ALA 75 HB3 0.0016 0.0048 -0.0066 1070 ASN 76 N 0.0048 0.0026 -0.0104 1071 ASN 76 CA 0.0025 -0.0007 -0.0064 1072 ASN 76 C 0.0030 -0.0080 -0.0062 1073 ASN 76 O 0.0006 -0.0113 -0.0022 1074 ASN 76 CB 0.0031 0.0008 -0.0076 1075 ASN 76 CG 0.0001 0.0053 -0.0036 1076 ASN 76 OD1 -0.0030 0.0042 0.0014 1077 ASN 76 ND2 0.0011 0.0106 -0.0057 1078 ASN 76 H 0.0065 0.0041 -0.0133 1079 ASN 76 HA 0.0001 0.0008 -0.0029 1080 ASN 76 HB2 0.0053 0.0029 -0.0112 1081 ASN 76 HB3 0.0034 -0.0032 -0.0075 1082 ASN 76 HD21 0.0033 0.0112 -0.0091 1083 ASN 76 HD22 -0.0005 0.0133 -0.0036 1084 ASP 77 N 0.0132 -0.0275 -0.0205 1085 ASP 77 CA 0.0155 -0.0445 -0.0195 1086 ASP 77 C 0.0107 -0.0472 -0.0078 1087 ASP 77 O 0.0079 -0.0583 0.0024 1088 ASP 77 CB 0.0233 -0.0503 -0.0352 1089 ASP 77 CG 0.0256 -0.0401 -0.0440 1090 ASP 77 OD1 0.0216 -0.0274 -0.0394 1091 ASP 77 OD2 0.0320 -0.0450 -0.0567 1092 ASP 77 H 0.0159 -0.0218 -0.0284 1093 ASP 77 HA 0.0150 -0.0515 -0.0161 1094 ASP 77 HB2 0.0245 -0.0613 -0.0339 1095 ASP 77 HB3 0.0260 -0.0501 -0.0413 1096 VAL 78 N 0.0078 -0.0148 -0.0048 1097 VAL 78 CA 0.0056 -0.0149 0.0017 1098 VAL 78 C 0.0019 -0.0112 0.0065 1099 VAL 78 O -0.0001 -0.0113 0.0124 1100 VAL 78 CB 0.0048 -0.0127 0.0006 1101 VAL 78 CG1 0.0085 -0.0172 -0.0031 1102 VAL 78 CG2 0.0024 -0.0060 -0.0034 1103 VAL 78 H 0.0073 -0.0118 -0.0080 1104 VAL 78 HA 0.0072 -0.0193 0.0041 1105 VAL 78 HB 0.0032 -0.0128 0.0051 1106 VAL 78 HG11 0.0079 -0.0157 -0.0036 1107 VAL 78 HG12 0.0099 -0.0214 -0.0004 1108 VAL 78 HG13 0.0101 -0.0173 -0.0075 1109 VAL 78 HG21 0.0017 -0.0045 -0.0035 1110 VAL 78 HG22 0.0041 -0.0060 -0.0080 1111 VAL 78 HG23 0.0001 -0.0032 -0.0011 1112 SER 79 N -0.0028 -0.0055 0.0004 1113 SER 79 CA -0.0041 -0.0028 0.0039 1114 SER 79 C -0.0050 0.0006 0.0052 1115 SER 79 O -0.0061 0.0008 0.0089 1116 SER 79 CB -0.0047 -0.0056 0.0078 1117 SER 79 OG -0.0041 -0.0079 0.0067 1118 SER 79 H -0.0022 -0.0056 -0.0018 1119 SER 79 HA -0.0041 -0.0012 0.0028 1120 SER 79 HB2 -0.0046 -0.0078 0.0086 1121 SER 79 HB3 -0.0057 -0.0037 0.0102 1122 SER 79 HG -0.0044 -0.0094 0.0089 1123 ARG 80 N -0.0030 0.0061 0.0024 1124 ARG 80 CA -0.0043 0.0064 0.0030 1125 ARG 80 C -0.0043 0.0083 0.0016 1126 ARG 80 O -0.0028 0.0089 0.0002 1127 ARG 80 CB -0.0036 0.0047 0.0038 1128 ARG 80 CG -0.0034 0.0027 0.0052 1129 ARG 80 CD -0.0055 0.0024 0.0067 1130 ARG 80 NE -0.0053 0.0003 0.0081 1131 ARG 80 CZ -0.0066 -0.0003 0.0095 1132 ARG 80 NH1 -0.0084 0.0009 0.0096 1133 ARG 80 NH2 -0.0063 -0.0023 0.0107 1134 ARG 80 H -0.0019 0.0064 0.0015 1135 ARG 80 HA -0.0057 0.0065 0.0038 1136 ARG 80 HB2 -0.0022 0.0047 0.0030 1137 ARG 80 HB3 -0.0046 0.0049 0.0043 1138 ARG 80 HG2 -0.0025 0.0024 0.0048 1139 ARG 80 HG3 -0.0028 0.0017 0.0055 1140 ARG 80 HD2 -0.0065 0.0030 0.0069 1141 ARG 80 HD3 -0.0060 0.0031 0.0065 1142 ARG 80 HE -0.0042 -0.0005 0.0080 1143 ARG 80 HH11 -0.0086 0.0021 0.0089 1144 ARG 80 HH12 -0.0092 0.0004 0.0105 1145 ARG 80 HH21 -0.0052 -0.0031 0.0106 1146 ARG 80 HH22 -0.0071 -0.0027 0.0116 1147 PHE 81 N -0.0059 0.0120 0.0015 1148 PHE 81 CA -0.0058 0.0121 0.0015 1149 PHE 81 C -0.0054 0.0114 0.0021 1150 PHE 81 O -0.0056 0.0107 0.0025 1151 PHE 81 CB -0.0068 0.0119 0.0012 1152 PHE 81 CG -0.0072 0.0126 0.0005 1153 PHE 81 CD1 -0.0069 0.0133 0.0001 1154 PHE 81 CD2 -0.0080 0.0126 0.0003 1155 PHE 81 CE1 -0.0074 0.0140 -0.0005 1156 PHE 81 CE2 -0.0084 0.0132 -0.0004 1157 PHE 81 CZ -0.0081 0.0139 -0.0007 1158 PHE 81 H -0.0064 0.0118 0.0014 1159 PHE 81 HA -0.0055 0.0126 0.0012 1160 PHE 81 HB2 -0.0072 0.0115 0.0014 1161 PHE 81 HB3 -0.0067 0.0119 0.0012 1162 PHE 81 HD1 -0.0064 0.0134 0.0003 1163 PHE 81 HD2 -0.0082 0.0121 0.0005 1164 PHE 81 HE1 -0.0071 0.0144 -0.0007 1165 PHE 81 HE2 -0.0089 0.0131 -0.0005 1166 PHE 81 HZ -0.0084 0.0143 -0.0011 1167 LEU 82 N -0.0029 0.0098 0.0009 1168 LEU 82 CA -0.0017 0.0092 -0.0007 1169 LEU 82 C -0.0009 0.0112 -0.0016 1170 LEU 82 O -0.0006 0.0127 -0.0019 1171 LEU 82 CB -0.0007 0.0077 -0.0020 1172 LEU 82 CG -0.0013 0.0056 -0.0013 1173 LEU 82 CD1 -0.0002 0.0042 -0.0027 1174 LEU 82 CD2 -0.0020 0.0041 -0.0004 1175 LEU 82 H -0.0026 0.0105 0.0006 1176 LEU 82 HA -0.0020 0.0084 -0.0003 1177 LEU 82 HB2 -0.0004 0.0086 -0.0024 1178 LEU 82 HB3 0.0000 0.0073 -0.0029 1179 LEU 82 HG -0.0020 0.0059 -0.0004 1180 LEU 82 HD11 -0.0006 0.0029 -0.0023 1181 LEU 82 HD12 0.0002 0.0051 -0.0032 1182 LEU 82 HD13 0.0005 0.0039 -0.0036 1183 LEU 82 HD21 -0.0024 0.0027 -0.0001 1184 LEU 82 HD22 -0.0014 0.0038 -0.0013 1185 LEU 82 HD23 -0.0028 0.0049 0.0006 1186 CYS 83 N 0.0007 0.0068 0.0028 1187 CYS 83 CA 0.0027 0.0076 0.0027 1188 CYS 83 C 0.0049 0.0064 0.0021 1189 CYS 83 O 0.0050 0.0042 0.0016 1190 CYS 83 CB 0.0024 0.0071 0.0027 1191 CYS 83 SG 0.0049 0.0082 0.0025 1192 CYS 83 H 0.0003 0.0053 0.0026 1193 CYS 83 HA 0.0029 0.0093 0.0031 1194 CYS 83 HB2 0.0010 0.0079 0.0031 1195 CYS 83 HB3 0.0022 0.0055 0.0023 1196 PRO 84 N 0.0082 0.0054 0.0018 1197 PRO 84 CA 0.0102 0.0039 0.0003 1198 PRO 84 C 0.0136 0.0029 -0.0010 1199 PRO 84 O 0.0153 0.0014 -0.0024 1200 PRO 84 CB 0.0110 0.0062 0.0020 1201 PRO 84 CG 0.0111 0.0090 0.0041 1202 PRO 84 CD 0.0085 0.0085 0.0041 1203 PRO 84 HA 0.0087 0.0023 -0.0007 1204 PRO 84 HB2 0.0132 0.0060 0.0014 1205 PRO 84 HB3 0.0091 0.0061 0.0022 1206 PRO 84 HG2 0.0135 0.0094 0.0040 1207 PRO 84 HG3 0.0105 0.0105 0.0053 1208 PRO 84 HD2 0.0093 0.0095 0.0048 1209 PRO 84 HD3 0.0062 0.0091 0.0050 1210 CYS 85 N 0.0116 0.0036 -0.0019 1211 CYS 85 CA 0.0136 0.0039 -0.0032 1212 CYS 85 C 0.0135 0.0017 -0.0042 1213 CYS 85 O 0.0151 0.0008 -0.0059 1214 CYS 85 CB 0.0140 0.0062 -0.0022 1215 CYS 85 SG 0.0152 0.0088 -0.0017 1216 CYS 85 H 0.0108 0.0045 -0.0008 1217 CYS 85 HA 0.0149 0.0041 -0.0040 1218 CYS 85 HB2 0.0126 0.0063 -0.0011 1219 CYS 85 HB3 0.0149 0.0061 -0.0030 1220 HIS 86 N 0.0145 0.0028 -0.0068 1221 HIS 86 CA 0.0143 -0.0002 -0.0071 1222 HIS 86 C 0.0120 -0.0028 -0.0057 1223 HIS 86 O 0.0108 -0.0047 -0.0050 1224 HIS 86 CB 0.0138 0.0008 -0.0066 1225 HIS 86 CG 0.0157 0.0038 -0.0076 1226 HIS 86 ND1 0.0150 0.0071 -0.0066 1227 HIS 86 CD2 0.0183 0.0039 -0.0096 1228 HIS 86 CE1 0.0170 0.0091 -0.0079 1229 HIS 86 NE2 0.0191 0.0073 -0.0097 1230 HIS 86 H 0.0130 0.0035 -0.0056 1231 HIS 86 HA 0.0160 -0.0012 -0.0086 1232 HIS 86 HB2 0.0120 0.0014 -0.0051 1233 HIS 86 HB3 0.0141 -0.0011 -0.0071 1234 HIS 86 HD2 0.0193 0.0021 -0.0107 1235 HIS 86 HE1 0.0171 0.0115 -0.0076 1236 HIS 86 HE2 0.0206 0.0081 -0.0108 1237 GLU 87 N 0.0118 0.0004 -0.0052 1238 GLU 87 CA 0.0099 -0.0029 -0.0038 1239 GLU 87 C 0.0049 -0.0026 -0.0011 1240 GLU 87 O 0.0028 -0.0063 0.0004 1241 GLU 87 CB 0.0117 -0.0081 -0.0042 1242 GLU 87 CG 0.0167 -0.0087 -0.0068 1243 GLU 87 CD 0.0185 -0.0140 -0.0071 1244 GLU 87 OE1 0.0166 -0.0170 -0.0057 1245 GLU 87 OE2 0.0217 -0.0152 -0.0087 1246 GLU 87 H 0.0131 0.0027 -0.0062 1247 GLU 87 HA 0.0105 -0.0018 -0.0042 1248 GLU 87 HB2 0.0111 -0.0093 -0.0037 1249 GLU 87 HB3 0.0104 -0.0101 -0.0032 1250 GLU 87 HG2 0.0174 -0.0072 -0.0073 1251 GLU 87 HG3 0.0181 -0.0070 -0.0077 1252 GLY 88 N 0.0048 0.0009 0.0001 1253 GLY 88 CA 0.0018 0.0013 0.0013 1254 GLY 88 C 0.0001 0.0014 0.0019 1255 GLY 88 O 0.0010 0.0028 0.0017 1256 GLY 88 H 0.0059 0.0024 -0.0002 1257 GLY 88 HA2 0.0010 -0.0004 0.0014 1258 GLY 88 HA3 0.0016 0.0032 0.0015 1259 VAL 89 N -0.0015 0.0025 0.0031 1260 VAL 89 CA -0.0028 0.0026 0.0036 1261 VAL 89 C -0.0056 0.0032 0.0046 1262 VAL 89 O -0.0067 0.0018 0.0052 1263 VAL 89 CB -0.0025 -0.0000 0.0037 1264 VAL 89 CG1 -0.0038 0.0003 0.0042 1265 VAL 89 CG2 0.0003 -0.0008 0.0027 1266 VAL 89 H -0.0023 0.0016 0.0035 1267 VAL 89 HA -0.0021 0.0041 0.0032 1268 VAL 89 HB -0.0033 -0.0014 0.0041 1269 VAL 89 HG11 -0.0034 -0.0013 0.0042 1270 VAL 89 HG12 -0.0056 0.0004 0.0049 1271 VAL 89 HG13 -0.0032 0.0019 0.0038 1272 VAL 89 HG21 0.0004 -0.0025 0.0028 1273 VAL 89 HG22 0.0011 0.0006 0.0022 1274 VAL 89 HG23 0.0011 -0.0011 0.0024 1275 PHE 90 N -0.0061 0.0070 0.0038 1276 PHE 90 CA -0.0079 0.0075 0.0041 1277 PHE 90 C -0.0090 0.0080 0.0043 1278 PHE 90 O -0.0083 0.0087 0.0043 1279 PHE 90 CB -0.0079 0.0092 0.0043 1280 PHE 90 CG -0.0065 0.0090 0.0040 1281 PHE 90 CD1 -0.0048 0.0096 0.0038 1282 PHE 90 CD2 -0.0070 0.0083 0.0041 1283 PHE 90 CE1 -0.0035 0.0095 0.0036 1284 PHE 90 CE2 -0.0058 0.0082 0.0038 1285 PHE 90 CZ -0.0040 0.0088 0.0036 1286 PHE 90 H -0.0056 0.0079 0.0038 1287 PHE 90 HA -0.0084 0.0064 0.0041 1288 PHE 90 HB2 -0.0077 0.0103 0.0043 1289 PHE 90 HB3 -0.0091 0.0092 0.0045 1290 PHE 90 HD1 -0.0044 0.0101 0.0038 1291 PHE 90 HD2 -0.0083 0.0080 0.0042 1292 PHE 90 HE1 -0.0022 0.0099 0.0035 1293 PHE 90 HE2 -0.0061 0.0077 0.0039 1294 PHE 90 HZ -0.0032 0.0087 0.0035 1295 ASP 91 N -0.0100 0.0070 0.0046 1296 ASP 91 CA -0.0099 0.0080 0.0039 1297 ASP 91 C -0.0109 0.0100 0.0023 1298 ASP 91 O -0.0117 0.0106 0.0017 1299 ASP 91 CB -0.0111 0.0067 0.0048 1300 ASP 91 CG -0.0139 0.0065 0.0047 1301 ASP 91 OD1 -0.0150 0.0076 0.0037 1302 ASP 91 OD2 -0.0149 0.0051 0.0056 1303 ASP 91 H -0.0111 0.0062 0.0052 1304 ASP 91 HA -0.0083 0.0083 0.0039 1305 ASP 91 HB2 -0.0107 0.0073 0.0044 1306 ASP 91 HB3 -0.0105 0.0054 0.0058 1307 VAL 92 N -0.0106 0.0112 -0.0013 1308 VAL 92 CA -0.0107 0.0115 -0.0021 1309 VAL 92 C -0.0114 0.0108 -0.0029 1310 VAL 92 O -0.0116 0.0109 -0.0036 1311 VAL 92 CB -0.0102 0.0126 -0.0026 1312 VAL 92 CG1 -0.0104 0.0127 -0.0034 1313 VAL 92 CG2 -0.0102 0.0130 -0.0032 1314 VAL 92 H -0.0103 0.0116 -0.0013 1315 VAL 92 HA -0.0106 0.0114 -0.0018 1316 VAL 92 HB -0.0098 0.0129 -0.0020 1317 VAL 92 HG11 -0.0101 0.0134 -0.0036 1318 VAL 92 HG12 -0.0105 0.0124 -0.0030 1319 VAL 92 HG13 -0.0108 0.0125 -0.0040 1320 VAL 92 HG21 -0.0099 0.0137 -0.0035 1321 VAL 92 HG22 -0.0106 0.0127 -0.0038 1322 VAL 92 HG23 -0.0100 0.0130 -0.0027 1323 ASN 93 N -0.0105 0.0122 -0.0077 1324 ASN 93 CA -0.0105 0.0101 -0.0094 1325 ASN 93 C -0.0103 0.0075 -0.0082 1326 ASN 93 O -0.0103 0.0055 -0.0095 1327 ASN 93 CB -0.0107 0.0104 -0.0117 1328 ASN 93 CG -0.0110 0.0127 -0.0133 1329 ASN 93 OD1 -0.0110 0.0133 -0.0137 1330 ASN 93 ND2 -0.0111 0.0141 -0.0142 1331 ASN 93 H -0.0106 0.0128 -0.0076 1332 ASN 93 HA -0.0106 0.0100 -0.0100 1333 ASN 93 HB2 -0.0107 0.0106 -0.0112 1334 ASN 93 HB3 -0.0107 0.0089 -0.0128 1335 ASN 93 HD21 -0.0111 0.0137 -0.0139 1336 ASN 93 HD22 -0.0112 0.0155 -0.0152 1337 GLY 94 N -0.0104 0.0117 -0.0032 1338 GLY 94 CA -0.0107 0.0110 -0.0027 1339 GLY 94 C -0.0108 0.0101 -0.0019 1340 GLY 94 O -0.0110 0.0095 -0.0015 1341 GLY 94 H -0.0098 0.0121 -0.0030 1342 GLY 94 HA2 -0.0101 0.0113 -0.0025 1343 GLY 94 HA3 -0.0113 0.0110 -0.0032 1344 LYS 95 N -0.0180 0.0091 0.0021 1345 LYS 95 CA -0.0188 0.0050 0.0050 1346 LYS 95 C -0.0140 0.0030 0.0053 1347 LYS 95 O -0.0099 0.0029 0.0044 1348 LYS 95 CB -0.0205 0.0021 0.0074 1349 LYS 95 CG -0.0217 -0.0021 0.0105 1350 LYS 95 CD -0.0218 -0.0055 0.0128 1351 LYS 95 CE -0.0223 -0.0099 0.0159 1352 LYS 95 NZ -0.0220 -0.0102 0.0160 1353 LYS 95 H -0.0176 0.0091 0.0020 1354 LYS 95 HA -0.0214 0.0055 0.0053 1355 LYS 95 HB2 -0.0235 0.0035 0.0071 1356 LYS 95 HB3 -0.0179 0.0015 0.0072 1357 LYS 95 HG2 -0.0192 -0.0032 0.0107 1358 LYS 95 HG3 -0.0250 -0.0017 0.0110 1359 LYS 95 HD2 -0.0246 -0.0047 0.0129 1360 LYS 95 HD3 -0.0187 -0.0057 0.0123 1361 LYS 95 HE2 -0.0256 -0.0107 0.0172 1362 LYS 95 HE3 -0.0197 -0.0120 0.0167 1363 LYS 95 HZ1 -0.0191 -0.0095 0.0149 1364 LYS 95 HZ2 -0.0224 -0.0128 0.0179 1365 LYS 95 HZ3 -0.0244 -0.0084 0.0153 1366 THR 96 N -0.0120 0.0029 0.0074 1367 THR 96 CA -0.0094 0.0014 0.0065 1368 THR 96 C -0.0099 -0.0016 0.0066 1369 THR 96 O -0.0117 -0.0033 0.0071 1370 THR 96 CB -0.0083 0.0009 0.0061 1371 THR 96 OG1 -0.0086 0.0035 0.0063 1372 THR 96 CG2 -0.0053 0.0000 0.0051 1373 THR 96 H -0.0127 0.0032 0.0076 1374 THR 96 HA -0.0081 0.0025 0.0061 1375 THR 96 HB -0.0093 -0.0006 0.0064 1376 THR 96 HG1 -0.0080 0.0033 0.0061 1377 THR 96 HG21 -0.0043 0.0006 0.0048 1378 THR 96 HG22 -0.0052 -0.0020 0.0050 1379 THR 96 HG23 -0.0044 0.0010 0.0048 1380 ILE 97 N -0.0099 -0.0037 0.0085 1381 ILE 97 CA -0.0095 -0.0069 0.0091 1382 ILE 97 C -0.0063 -0.0088 0.0088 1383 ILE 97 O -0.0060 -0.0118 0.0094 1384 ILE 97 CB -0.0099 -0.0065 0.0091 1385 ILE 97 CG1 -0.0072 -0.0045 0.0081 1386 ILE 97 CG2 -0.0133 -0.0049 0.0096 1387 ILE 97 CD1 -0.0074 -0.0042 0.0081 1388 ILE 97 H -0.0083 -0.0024 0.0079 1389 ILE 97 HA -0.0113 -0.0082 0.0098 1390 ILE 97 HB -0.0096 -0.0087 0.0096 1391 ILE 97 HG12 -0.0074 -0.0023 0.0077 1392 ILE 97 HG13 -0.0051 -0.0055 0.0078 1393 ILE 97 HG21 -0.0137 -0.0050 0.0097 1394 ILE 97 HG22 -0.0149 -0.0061 0.0102 1395 ILE 97 HG23 -0.0133 -0.0026 0.0091 1396 ILE 97 HD11 -0.0054 -0.0032 0.0074 1397 ILE 97 HD12 -0.0075 -0.0064 0.0086 1398 ILE 97 HD13 -0.0093 -0.0029 0.0082 1399 SER 98 N -0.0060 -0.0077 0.0069 1400 SER 98 C -0.0009 -0.0067 0.0043 1401 SER 98 O -0.0014 -0.0033 0.0042 1402 SER 98 CA -0.0030 -0.0096 0.0056 1403 SER 98 CB -0.0009 -0.0117 0.0047 1404 SER 98 OG 0.0009 -0.0091 0.0036 1405 SER 98 H -0.0060 -0.0053 0.0066 1406 SER 98 HA -0.0036 -0.0115 0.0060 1407 SER 98 HB2 0.0008 -0.0134 0.0040 1408 SER 98 HB3 -0.0024 -0.0131 0.0056 1409 SER 98 HG 0.0023 -0.0080 0.0028 1410 SER 98 CA -0.0029 -0.0095 0.0055 1411 SER 98 CB -0.0007 -0.0110 0.0046 1412 SER 98 OG 0.0019 -0.0136 0.0035 1413 SER 98 H -0.0060 -0.0053 0.0067 1414 SER 98 HA -0.0034 -0.0117 0.0059 1415 SER 98 HB2 -0.0022 -0.0123 0.0054 1416 SER 98 HB3 0.0003 -0.0089 0.0039 1417 SER 98 HG 0.0029 -0.0127 0.0029 1418 GLY 99 N 0.0015 -0.0092 0.0035 1419 GLY 99 CA 0.0034 -0.0068 0.0022 1420 GLY 99 C 0.0022 -0.0055 0.0029 1421 GLY 99 O -0.0002 -0.0064 0.0044 1422 GLY 99 H 0.0017 -0.0114 0.0034 1423 GLY 99 HA2 0.0053 -0.0080 0.0010 1424 GLY 99 HA3 0.0038 -0.0048 0.0019 1425 PRO 100 N 0.0040 -0.0032 0.0020 1426 PRO 100 CA 0.0036 -0.0018 0.0023 1427 PRO 100 C 0.0018 0.0012 0.0039 1428 PRO 100 O 0.0016 0.0026 0.0041 1429 PRO 100 CB 0.0065 -0.0007 -0.0001 1430 PRO 100 CG 0.0077 0.0004 -0.0010 1431 PRO 100 CD 0.0066 -0.0022 -0.0002 1432 PRO 100 HA 0.0030 -0.0037 0.0027 1433 PRO 100 HB2 0.0065 0.0011 0.0000 1434 PRO 100 HB3 0.0074 -0.0027 -0.0009 1435 PRO 100 HG2 0.0072 0.0027 -0.0005 1436 PRO 100 HG3 0.0096 0.0002 -0.0026 1437 PRO 100 HD2 0.0063 -0.0010 0.0001 1438 PRO 100 HD3 0.0077 -0.0041 -0.0012 1439 ALA 101 N -0.0002 0.0040 0.0037 1440 ALA 101 CA -0.0012 0.0059 0.0045 1441 ALA 101 C -0.0026 0.0055 0.0057 1442 ALA 101 O -0.0033 0.0039 0.0064 1443 ALA 101 CB -0.0018 0.0065 0.0050 1444 ALA 101 H -0.0001 0.0035 0.0036 1445 ALA 101 HA -0.0006 0.0070 0.0039 1446 ALA 101 HB1 -0.0025 0.0077 0.0055 1447 ALA 101 HB2 -0.0009 0.0068 0.0042 1448 ALA 101 HB3 -0.0024 0.0054 0.0055 1449 PRO 102 N -0.0021 0.0086 0.0087 1450 PRO 102 CA -0.0031 0.0089 0.0105 1451 PRO 102 C -0.0030 0.0088 0.0106 1452 PRO 102 O -0.0039 0.0090 0.0120 1453 PRO 102 CB -0.0050 0.0098 0.0102 1454 PRO 102 CG -0.0051 0.0102 0.0080 1455 PRO 102 CD -0.0033 0.0094 0.0072 1456 PRO 102 HA -0.0026 0.0085 0.0117 1457 PRO 102 HB2 -0.0059 0.0102 0.0108 1458 PRO 102 HB3 -0.0052 0.0098 0.0107 1459 PRO 102 HG2 -0.0053 0.0103 0.0075 1460 PRO 102 HG3 -0.0061 0.0107 0.0076 1461 PRO 102 HD2 -0.0030 0.0094 0.0059 1462 PRO 102 HD3 -0.0033 0.0094 0.0071 1463 ARG 103 N -0.0014 0.0109 0.0055 1464 ARG 103 CA 0.0010 0.0103 0.0023 1465 ARG 103 C 0.0015 0.0110 0.0021 1466 ARG 103 O -0.0002 0.0115 0.0044 1467 ARG 103 CB 0.0010 0.0064 0.0006 1468 ARG 103 CG -0.0013 0.0034 0.0021 1469 ARG 103 CD -0.0008 -0.0001 -0.0002 1470 ARG 103 NE 0.0011 0.0003 -0.0023 1471 ARG 103 CZ 0.0025 -0.0019 -0.0050 1472 ARG 103 NH1 0.0022 -0.0048 -0.0060 1473 ARG 103 NH2 0.0042 -0.0012 -0.0067 1474 ARG 103 H -0.0023 0.0108 0.0067 1475 ARG 103 HA 0.0024 0.0120 0.0014 1476 ARG 103 HB2 0.0025 0.0060 -0.0014 1477 ARG 103 HB3 0.0010 0.0061 0.0005 1478 ARG 103 HG2 -0.0027 0.0029 0.0036 1479 ARG 103 HG3 -0.0018 0.0042 0.0031 1480 ARG 103 HD2 -0.0001 -0.0008 -0.0013 1481 ARG 103 HD3 -0.0023 -0.0021 0.0008 1482 ARG 103 HE 0.0013 0.0021 -0.0017 1483 ARG 103 HH11 0.0011 -0.0053 -0.0048 1484 ARG 103 HH12 0.0032 -0.0062 -0.0078 1485 ARG 103 HH21 0.0043 0.0006 -0.0061 1486 ARG 103 HH22 0.0051 -0.0026 -0.0085 1487 GLY 104 N -0.0035 0.0098 0.0020 1488 GLY 104 CA -0.0037 0.0097 0.0023 1489 GLY 104 C -0.0037 0.0092 0.0026 1490 GLY 104 O -0.0036 0.0088 0.0027 1491 GLY 104 H -0.0031 0.0098 0.0018 1492 GLY 104 HA2 -0.0041 0.0099 0.0024 1493 GLY 104 HA3 -0.0035 0.0098 0.0021 1494 MET 105 N -0.0033 0.0093 -0.0012 1495 MET 105 CA -0.0035 0.0081 -0.0005 1496 MET 105 C -0.0028 0.0065 -0.0017 1497 MET 105 O -0.0021 0.0066 -0.0032 1498 MET 105 CB -0.0037 0.0092 -0.0003 1499 MET 105 CG -0.0045 0.0105 0.0012 1500 MET 105 SD -0.0048 0.0123 0.0013 1501 MET 105 CE -0.0048 0.0109 0.0016 1502 MET 105 H -0.0032 0.0104 -0.0015 1503 MET 105 HA -0.0040 0.0076 0.0005 1504 MET 105 HB2 -0.0033 0.0100 -0.0013 1505 MET 105 HB3 -0.0038 0.0084 -0.0000 1506 MET 105 HG2 -0.0050 0.0098 0.0022 1507 MET 105 HG3 -0.0045 0.0111 0.0010 1508 MET 105 HE1 -0.0049 0.0117 0.0017 1509 MET 105 HE2 -0.0042 0.0102 0.0006 1510 MET 105 HE3 -0.0052 0.0101 0.0026 1511 TYR 106 N 0.0026 0.0017 -0.0026 1512 TYR 106 CA 0.0041 -0.0009 -0.0037 1513 TYR 106 C 0.0045 -0.0007 -0.0046 1514 TYR 106 O 0.0035 -0.0002 -0.0031 1515 TYR 106 CB 0.0038 -0.0035 -0.0015 1516 TYR 106 CG 0.0033 -0.0038 -0.0004 1517 TYR 106 CD1 0.0044 -0.0047 -0.0019 1518 TYR 106 CD2 0.0017 -0.0034 0.0021 1519 TYR 106 CE1 0.0040 -0.0051 -0.0009 1520 TYR 106 CE2 0.0013 -0.0038 0.0032 1521 TYR 106 CZ 0.0024 -0.0047 0.0016 1522 TYR 106 OH 0.0020 -0.0050 0.0027 1523 TYR 106 H 0.0017 0.0015 -0.0009 1524 TYR 106 HA 0.0050 -0.0011 -0.0052 1525 TYR 106 HB2 0.0029 -0.0033 -0.0001 1526 TYR 106 HB3 0.0048 -0.0052 -0.0022 1527 TYR 106 HD1 0.0055 -0.0051 -0.0036 1528 TYR 106 HD2 0.0009 -0.0028 0.0032 1529 TYR 106 HE1 0.0048 -0.0057 -0.0020 1530 TYR 106 HE2 0.0002 -0.0035 0.0049 1531 TYR 106 HH 0.0023 -0.0043 0.0016 1532 SER 107 N 0.0048 -0.0037 -0.0106 1533 SER 107 CA 0.0039 -0.0020 -0.0117 1534 SER 107 C 0.0060 -0.0054 -0.0119 1535 SER 107 O 0.0083 -0.0084 -0.0144 1536 SER 107 CB 0.0031 0.0007 -0.0166 1537 SER 107 OG 0.0053 -0.0018 -0.0204 1538 SER 107 H 0.0061 -0.0053 -0.0127 1539 SER 107 HA 0.0024 -0.0003 -0.0092 1540 SER 107 HB2 0.0024 0.0020 -0.0172 1541 SER 107 HB3 0.0017 0.0028 -0.0165 1542 SER 107 HG 0.0064 -0.0034 -0.0208 1543 SER 107 N 0.0048 -0.0038 -0.0106 1544 SER 107 CA 0.0040 -0.0022 -0.0121 1545 SER 107 C 0.0061 -0.0057 -0.0115 1546 SER 107 O 0.0085 -0.0091 -0.0129 1547 SER 107 CB 0.0039 -0.0004 -0.0174 1548 SER 107 OG 0.0030 0.0016 -0.0190 1549 SER 107 H 0.0061 -0.0054 -0.0127 1550 SER 107 HA 0.0023 -0.0000 -0.0100 1551 SER 107 HB2 0.0026 0.0017 -0.0178 1552 SER 107 HB3 0.0056 -0.0026 -0.0194 1553 SER 107 HG 0.0041 -0.0002 -0.0189 1554 TYR 108 N 0.0060 -0.0064 -0.0093 1555 TYR 108 CA 0.0073 -0.0079 -0.0084 1556 TYR 108 C 0.0065 -0.0072 -0.0110 1557 TYR 108 O 0.0044 -0.0047 -0.0118 1558 TYR 108 CB 0.0068 -0.0070 -0.0044 1559 TYR 108 CG 0.0080 -0.0082 -0.0013 1560 TYR 108 CD1 0.0074 -0.0074 -0.0006 1561 TYR 108 CD2 0.0097 -0.0101 0.0010 1562 TYR 108 CE1 0.0085 -0.0086 0.0022 1563 TYR 108 CE2 0.0109 -0.0113 0.0039 1564 TYR 108 CZ 0.0103 -0.0105 0.0045 1565 TYR 108 OH 0.0114 -0.0117 0.0073 1566 TYR 108 H 0.0046 -0.0047 -0.0085 1567 TYR 108 HA 0.0090 -0.0100 -0.0085 1568 TYR 108 HB2 0.0051 -0.0049 -0.0042 1569 TYR 108 HB3 0.0073 -0.0075 -0.0041 1570 TYR 108 HD1 0.0062 -0.0061 -0.0021 1571 TYR 108 HD2 0.0101 -0.0106 0.0007 1572 TYR 108 HE1 0.0082 -0.0081 0.0026 1573 TYR 108 HE2 0.0121 -0.0126 0.0054 1574 TYR 108 HH 0.0116 -0.0118 0.0092 1575 ARG 109 N 0.0073 -0.0083 -0.0099 1576 ARG 109 CA 0.0058 -0.0076 -0.0103 1577 ARG 109 C 0.0052 -0.0057 -0.0087 1578 ARG 109 O 0.0064 -0.0052 -0.0071 1579 ARG 109 CB 0.0068 -0.0084 -0.0106 1580 ARG 109 CG 0.0054 -0.0078 -0.0108 1581 ARG 109 CD 0.0065 -0.0088 -0.0111 1582 ARG 109 NE 0.0051 -0.0082 -0.0116 1583 ARG 109 CZ 0.0057 -0.0080 -0.0108 1584 ARG 109 NH1 0.0075 -0.0082 -0.0097 1585 ARG 109 NH2 0.0043 -0.0075 -0.0113 1586 ARG 109 H 0.0085 -0.0090 -0.0099 1587 ARG 109 HA 0.0046 -0.0077 -0.0114 1588 ARG 109 HB2 0.0071 -0.0096 -0.0116 1589 ARG 109 HB3 0.0079 -0.0083 -0.0095 1590 ARG 109 HG2 0.0051 -0.0066 -0.0098 1591 ARG 109 HG3 0.0042 -0.0079 -0.0119 1592 ARG 109 HD2 0.0069 -0.0099 -0.0121 1593 ARG 109 HD3 0.0076 -0.0086 -0.0100 1594 ARG 109 HE 0.0039 -0.0081 -0.0123 1595 ARG 109 HH11 0.0084 -0.0085 -0.0094 1596 ARG 109 HH12 0.0078 -0.0080 -0.0092 1597 ARG 109 HH21 0.0031 -0.0073 -0.0121 1598 ARG 109 HH22 0.0046 -0.0073 -0.0109 1599 THR 110 N 0.0050 -0.0036 -0.0094 1600 THR 110 CA 0.0041 -0.0027 -0.0081 1601 THR 110 C 0.0036 -0.0023 -0.0087 1602 THR 110 O 0.0034 -0.0023 -0.0104 1603 THR 110 CB 0.0029 -0.0015 -0.0079 1604 THR 110 OG1 0.0033 -0.0019 -0.0075 1605 THR 110 CG2 0.0020 -0.0005 -0.0064 1606 THR 110 H 0.0047 -0.0035 -0.0105 1607 THR 110 HA 0.0047 -0.0030 -0.0069 1608 THR 110 HB 0.0023 -0.0011 -0.0091 1609 THR 110 HG1 0.0027 -0.0013 -0.0074 1610 THR 110 HG21 0.0013 0.0001 -0.0062 1611 THR 110 HG22 0.0015 -0.0001 -0.0068 1612 THR 110 HG23 0.0026 -0.0009 -0.0053 1613 THR 110 N 0.0050 -0.0036 -0.0094 1614 THR 110 CA 0.0041 -0.0026 -0.0081 1615 THR 110 C 0.0036 -0.0023 -0.0087 1616 THR 110 O 0.0034 -0.0023 -0.0104 1617 THR 110 CB 0.0028 -0.0015 -0.0079 1618 THR 110 OG1 0.0021 -0.0010 -0.0097 1619 THR 110 CG2 0.0033 -0.0018 -0.0073 1620 THR 110 H 0.0047 -0.0035 -0.0105 1621 THR 110 HA 0.0046 -0.0030 -0.0069 1622 THR 110 HB 0.0023 -0.0009 -0.0070 1623 THR 110 HG1 0.0014 -0.0004 -0.0097 1624 THR 110 HG21 0.0028 -0.0014 -0.0081 1625 THR 110 HG22 0.0031 -0.0015 -0.0061 1626 THR 110 HG23 0.0043 -0.0027 -0.0074 1627 LYS 111 N 0.0036 -0.0021 -0.0072 1628 LYS 111 CA 0.0027 -0.0016 -0.0071 1629 LYS 111 C 0.0021 -0.0008 -0.0060 1630 LYS 111 O 0.0025 -0.0006 -0.0052 1631 LYS 111 CB 0.0032 -0.0018 -0.0070 1632 LYS 111 CG 0.0041 -0.0016 -0.0058 1633 LYS 111 CD 0.0046 -0.0019 -0.0057 1634 LYS 111 CE 0.0055 -0.0017 -0.0045 1635 LYS 111 NZ 0.0059 -0.0019 -0.0043 1636 LYS 111 H 0.0039 -0.0019 -0.0065 1637 LYS 111 HA 0.0021 -0.0017 -0.0079 1638 LYS 111 HB2 0.0026 -0.0016 -0.0071 1639 LYS 111 HB3 0.0037 -0.0024 -0.0076 1640 LYS 111 HG2 0.0048 -0.0019 -0.0057 1641 LYS 111 HG3 0.0036 -0.0011 -0.0051 1642 LYS 111 HD2 0.0039 -0.0016 -0.0057 1643 LYS 111 HD3 0.0050 -0.0024 -0.0064 1644 LYS 111 HE2 0.0062 -0.0020 -0.0044 1645 LYS 111 HE3 0.0050 -0.0012 -0.0038 1646 LYS 111 HZ1 0.0061 -0.0023 -0.0050 1647 LYS 111 HZ2 0.0066 -0.0019 -0.0038 1648 LYS 111 HZ3 0.0054 -0.0015 -0.0041 1649 VAL 112 N 0.0015 -0.0008 -0.0042 1650 VAL 112 CA 0.0012 -0.0012 -0.0038 1651 VAL 112 C 0.0018 -0.0016 -0.0034 1652 VAL 112 O 0.0022 -0.0015 -0.0036 1653 VAL 112 CB 0.0007 -0.0010 -0.0039 1654 VAL 112 CG1 0.0003 -0.0015 -0.0034 1655 VAL 112 CG2 0.0002 -0.0006 -0.0043 1656 VAL 112 H 0.0018 -0.0006 -0.0044 1657 VAL 112 HA 0.0009 -0.0013 -0.0036 1658 VAL 112 HB 0.0010 -0.0009 -0.0040 1659 VAL 112 HG11 0.0000 -0.0014 -0.0035 1660 VAL 112 HG12 0.0007 -0.0018 -0.0032 1661 VAL 112 HG13 0.0000 -0.0016 -0.0032 1662 VAL 112 HG21 -0.0002 -0.0005 -0.0043 1663 VAL 112 HG22 -0.0001 -0.0007 -0.0041 1664 VAL 112 HG23 0.0004 -0.0003 -0.0046 1665 GLU 113 N 0.0012 -0.0019 -0.0033 1666 GLU 113 CA 0.0007 -0.0006 -0.0021 1667 GLU 113 C 0.0005 0.0004 -0.0014 1668 GLU 113 O 0.0018 0.0009 -0.0017 1669 GLU 113 CB 0.0019 0.0004 -0.0021 1670 GLU 113 CG 0.0014 0.0020 -0.0008 1671 GLU 113 CD 0.0027 0.0030 -0.0008 1672 GLU 113 OE1 0.0031 0.0025 -0.0013 1673 GLU 113 OE2 0.0032 0.0044 -0.0001 1674 GLU 113 H 0.0021 -0.0017 -0.0036 1675 GLU 113 HA -0.0004 -0.0009 -0.0018 1676 GLU 113 HB2 0.0019 -0.0001 -0.0025 1677 GLU 113 HB3 0.0030 0.0007 -0.0025 1678 GLU 113 HG2 0.0014 0.0025 -0.0004 1679 GLU 113 HG3 0.0004 0.0017 -0.0004 1680 ASN 114 N -0.0065 0.0019 0.0046 1681 ASN 114 CA -0.0052 0.0026 0.0027 1682 ASN 114 C -0.0001 -0.0022 -0.0030 1683 ASN 114 O 0.0029 0.0006 -0.0076 1684 ASN 114 CB -0.0056 0.0114 0.0015 1685 ASN 114 CG -0.0108 0.0160 0.0074 1686 ASN 114 OD1 -0.0145 0.0127 0.0129 1687 ASN 114 ND2 -0.0110 0.0238 0.0061 1688 ASN 114 H -0.0094 0.0006 0.0087 1689 ASN 114 HA -0.0075 0.0003 0.0063 1690 ASN 114 HB2 -0.0032 0.0139 -0.0021 1691 ASN 114 HB3 -0.0049 0.0117 0.0006 1692 ASN 114 HD21 -0.0138 0.0267 0.0093 1693 ASN 114 HD22 -0.0084 0.0259 0.0022 1694 ASN 115 N 0.0033 -0.0052 -0.0022 1695 ASN 115 CA 0.0034 -0.0065 -0.0035 1696 ASN 115 C 0.0011 -0.0053 -0.0056 1697 ASN 115 O 0.0010 -0.0065 -0.0070 1698 ASN 115 CB 0.0048 -0.0095 -0.0050 1699 ASN 115 CG 0.0058 -0.0111 -0.0052 1700 ASN 115 OD1 0.0066 -0.0104 -0.0033 1701 ASN 115 ND2 0.0058 -0.0131 -0.0076 1702 ASN 115 H 0.0037 -0.0042 -0.0005 1703 ASN 115 HA 0.0042 -0.0062 -0.0020 1704 ASN 115 HB2 0.0060 -0.0102 -0.0039 1705 ASN 115 HB3 0.0038 -0.0099 -0.0069 1706 ASN 115 HD21 0.0052 -0.0135 -0.0089 1707 ASN 115 HD22 0.0064 -0.0140 -0.0078 1708 ASN 115 N 0.0033 -0.0052 -0.0022 1709 ASN 115 CA 0.0034 -0.0065 -0.0035 1710 ASN 115 C 0.0011 -0.0053 -0.0056 1711 ASN 115 O 0.0010 -0.0064 -0.0070 1712 ASN 115 CB 0.0048 -0.0095 -0.0050 1713 ASN 115 CG 0.0073 -0.0110 -0.0029 1714 ASN 115 OD1 0.0083 -0.0101 -0.0005 1715 ASN 115 ND2 0.0084 -0.0132 -0.0039 1716 ASN 115 H 0.0038 -0.0042 -0.0005 1717 ASN 115 HA 0.0042 -0.0062 -0.0020 1718 ASN 115 HB2 0.0042 -0.0099 -0.0063 1719 ASN 115 HB3 0.0047 -0.0102 -0.0060 1720 ASN 115 HD21 0.0076 -0.0137 -0.0056 1721 ASN 115 HD22 0.0098 -0.0141 -0.0028 1722 THR 116 N 0.0020 -0.0019 -0.0044 1723 THR 116 CA 0.0024 -0.0017 -0.0050 1724 THR 116 C 0.0024 -0.0020 -0.0050 1725 THR 116 O 0.0020 -0.0019 -0.0045 1726 THR 116 CB 0.0025 -0.0008 -0.0052 1727 THR 116 OG1 0.0026 -0.0006 -0.0053 1728 THR 116 CG2 0.0029 -0.0006 -0.0058 1729 THR 116 H 0.0017 -0.0016 -0.0041 1730 THR 116 HA 0.0027 -0.0020 -0.0054 1731 THR 116 HB 0.0022 -0.0005 -0.0048 1732 THR 116 HG1 0.0026 -0.0001 -0.0054 1733 THR 116 HG21 0.0030 -0.0000 -0.0059 1734 THR 116 HG22 0.0028 -0.0006 -0.0056 1735 THR 116 HG23 0.0032 -0.0010 -0.0061 1736 VAL 117 N 0.0009 -0.0015 -0.0042 1737 VAL 117 CA 0.0011 -0.0013 -0.0048 1738 VAL 117 C 0.0017 -0.0017 -0.0046 1739 VAL 117 O 0.0016 -0.0020 -0.0040 1740 VAL 117 CB 0.0004 -0.0008 -0.0049 1741 VAL 117 CG1 0.0006 -0.0005 -0.0055 1742 VAL 117 CG2 -0.0002 -0.0004 -0.0051 1743 VAL 117 H 0.0005 -0.0015 -0.0038 1744 VAL 117 HA 0.0014 -0.0011 -0.0053 1745 VAL 117 HB 0.0002 -0.0009 -0.0044 1746 VAL 117 HG11 0.0001 -0.0002 -0.0057 1747 VAL 117 HG12 0.0009 -0.0008 -0.0054 1748 VAL 117 HG13 0.0009 -0.0005 -0.0060 1749 VAL 117 HG21 -0.0006 -0.0001 -0.0052 1750 VAL 117 HG22 0.0000 -0.0003 -0.0055 1751 VAL 117 HG23 -0.0004 -0.0005 -0.0046 1752 PHE 118 N 0.0046 -0.0008 -0.0029 1753 PHE 118 CA 0.0055 -0.0016 -0.0028 1754 PHE 118 C 0.0059 -0.0025 -0.0035 1755 PHE 118 O 0.0053 -0.0028 -0.0043 1756 PHE 118 CB 0.0054 -0.0017 -0.0031 1757 PHE 118 CG 0.0053 -0.0009 -0.0023 1758 PHE 118 CD1 0.0061 -0.0009 -0.0015 1759 PHE 118 CD2 0.0044 -0.0002 -0.0025 1760 PHE 118 CE1 0.0060 -0.0002 -0.0008 1761 PHE 118 CE2 0.0043 0.0006 -0.0018 1762 PHE 118 CZ 0.0051 0.0006 -0.0010 1763 PHE 118 H 0.0041 -0.0010 -0.0035 1764 PHE 118 HA 0.0060 -0.0014 -0.0021 1765 PHE 118 HB2 0.0048 -0.0018 -0.0037 1766 PHE 118 HB3 0.0060 -0.0023 -0.0031 1767 PHE 118 HD1 0.0068 -0.0014 -0.0014 1768 PHE 118 HD2 0.0038 -0.0002 -0.0030 1769 PHE 118 HE1 0.0066 -0.0002 -0.0003 1770 PHE 118 HE2 0.0037 0.0011 -0.0019 1771 PHE 118 HZ 0.0050 0.0011 -0.0005 1772 VAL 119 N 0.0062 -0.0040 -0.0003 1773 VAL 119 CA 0.0069 -0.0048 -0.0015 1774 VAL 119 C 0.0084 -0.0057 -0.0015 1775 VAL 119 O 0.0092 -0.0057 -0.0002 1776 VAL 119 CB 0.0069 -0.0047 -0.0014 1777 VAL 119 CG1 0.0053 -0.0039 -0.0016 1778 VAL 119 CG2 0.0077 -0.0046 0.0002 1779 VAL 119 H 0.0067 -0.0039 0.0006 1780 VAL 119 HA 0.0063 -0.0049 -0.0026 1781 VAL 119 HB 0.0073 -0.0053 -0.0022 1782 VAL 119 HG11 0.0053 -0.0038 -0.0014 1783 VAL 119 HG12 0.0048 -0.0040 -0.0026 1784 VAL 119 HG13 0.0048 -0.0033 -0.0008 1785 VAL 119 HG21 0.0076 -0.0045 0.0003 1786 VAL 119 HG22 0.0073 -0.0041 0.0010 1787 VAL 119 HG23 0.0087 -0.0052 0.0003 1788 ASP 120 N 0.0083 -0.0045 -0.0015 1789 ASP 120 CA 0.0089 -0.0057 -0.0016 1790 ASP 120 C 0.0104 -0.0071 -0.0012 1791 ASP 120 O 0.0102 -0.0085 -0.0020 1792 ASP 120 CB 0.0076 -0.0066 -0.0030 1793 ASP 120 CG 0.0082 -0.0080 -0.0032 1794 ASP 120 OD1 0.0096 -0.0082 -0.0023 1795 ASP 120 OD2 0.0073 -0.0090 -0.0043 1796 ASP 120 H 0.0077 -0.0049 -0.0021 1797 ASP 120 HA 0.0092 -0.0051 -0.0011 1798 ASP 120 HB2 0.0067 -0.0057 -0.0032 1799 ASP 120 HB3 0.0072 -0.0072 -0.0035 1800 TYR 121 N 0.0074 -0.0056 0.0098 1801 TYR 121 CA 0.0103 -0.0083 0.0117 1802 TYR 121 C 0.0081 -0.0116 0.0124 1803 TYR 121 O 0.0102 -0.0143 0.0140 1804 TYR 121 CB 0.0139 -0.0060 0.0117 1805 TYR 121 CG 0.0127 -0.0040 0.0106 1806 TYR 121 CD1 0.0113 -0.0002 0.0088 1807 TYR 121 CD2 0.0129 -0.0060 0.0115 1808 TYR 121 CE1 0.0102 0.0016 0.0078 1809 TYR 121 CE2 0.0117 -0.0042 0.0105 1810 TYR 121 CZ 0.0104 -0.0004 0.0086 1811 TYR 121 OH 0.0093 0.0013 0.0077 1812 TYR 121 H 0.0076 -0.0032 0.0090 1813 TYR 121 HA 0.0115 -0.0097 0.0125 1814 TYR 121 HB2 0.0160 -0.0078 0.0130 1815 TYR 121 HB3 0.0152 -0.0039 0.0112 1816 TYR 121 HD1 0.0112 0.0012 0.0082 1817 TYR 121 HD2 0.0138 -0.0085 0.0127 1818 TYR 121 HE1 0.0093 0.0042 0.0065 1819 TYR 121 HE2 0.0119 -0.0056 0.0110 1820 TYR 121 HH 0.0095 -0.0004 0.0084 1821 ALA 122 N 0.0118 -0.0074 0.0018 1822 ALA 122 CA 0.0117 -0.0100 0.0012 1823 ALA 122 C 0.0093 -0.0129 -0.0000 1824 ALA 122 O 0.0089 -0.0152 -0.0006 1825 ALA 122 CB 0.0106 -0.0082 0.0013 1826 ALA 122 H 0.0102 -0.0058 0.0018 1827 ALA 122 HA 0.0140 -0.0110 0.0015 1828 ALA 122 HB1 0.0109 -0.0099 0.0010 1829 ALA 122 HB2 0.0120 -0.0063 0.0021 1830 ALA 122 HB3 0.0082 -0.0074 0.0009 1831 ALA 123 N 0.0154 -0.0159 -0.0060 1832 ALA 123 CA 0.0134 -0.0172 -0.0090 1833 ALA 123 C 0.0127 -0.0168 -0.0092 1834 ALA 123 O 0.0102 -0.0151 -0.0099 1835 ALA 123 CB 0.0105 -0.0156 -0.0101 1836 ALA 123 H 0.0149 -0.0143 -0.0049 1837 ALA 123 HA 0.0144 -0.0193 -0.0100 1838 ALA 123 HB1 0.0097 -0.0170 -0.0121 1839 ALA 123 HB2 0.0109 -0.0150 -0.0091 1840 ALA 123 HB3 0.0091 -0.0140 -0.0099 1841 ILE 124 N 0.0158 -0.0232 -0.0123 1842 ILE 124 CA 0.0135 -0.0201 -0.0120 1843 ILE 124 C 0.0137 -0.0223 -0.0178 1844 ILE 124 O 0.0170 -0.0271 -0.0195 1845 ILE 124 CB 0.0152 -0.0203 -0.0056 1846 ILE 124 CG1 0.0147 -0.0178 -0.0000 1847 ILE 124 CG2 0.0129 -0.0174 -0.0057 1848 ILE 124 CD1 0.0177 -0.0195 0.0064 1849 ILE 124 H 0.0185 -0.0261 -0.0108 1850 ILE 124 HA 0.0105 -0.0165 -0.0124 1851 ILE 124 HB 0.0181 -0.0238 -0.0051 1852 ILE 124 HG12 0.0119 -0.0141 0.0005 1853 ILE 124 HG13 0.0152 -0.0188 -0.0010 1854 ILE 124 HG21 0.0135 -0.0167 -0.0013 1855 ILE 124 HG22 0.0139 -0.0196 -0.0084 1856 ILE 124 HG23 0.0099 -0.0141 -0.0073 1857 ILE 124 HD11 0.0172 -0.0178 0.0097 1858 ILE 124 HD12 0.0205 -0.0233 0.0060 1859 ILE 124 HD13 0.0172 -0.0185 0.0075 1860 THR 125 N 0.0167 -0.0243 -0.0209 1861 THR 125 CA 0.0170 -0.0237 -0.0299 1862 THR 125 C 0.0141 -0.0190 -0.0259 1863 THR 125 O 0.0097 -0.0117 -0.0197 1864 THR 125 CB 0.0141 -0.0172 -0.0396 1865 THR 125 OG1 0.0172 -0.0222 -0.0448 1866 THR 125 CG2 0.0135 -0.0151 -0.0484 1867 THR 125 OXT 0.0163 -0.0226 -0.0292 1868 THR 125 H 0.0134 -0.0186 -0.0189 1869 THR 125 HA 0.0208 -0.0303 -0.0325 1870 THR 125 HB 0.0104 -0.0109 -0.0368 1871 THR 125 HG1 0.0186 -0.0255 -0.0398 1872 THR 125 HG21 0.0131 -0.0134 -0.0556 1873 THR 125 HG22 0.0103 -0.0096 -0.0462 1874 THR 125 HG23 0.0167 -0.0209 -0.0493