1 ALA 8 N 0.0107 -0.0008 0.0080 2 ALA 8 CA 0.0095 0.0061 0.0056 3 ALA 8 C 0.0104 0.0051 -0.0018 4 ALA 8 O 0.0095 0.0102 -0.0032 5 ALA 8 CB 0.0081 0.0135 0.0046 6 ALA 8 HA 0.0090 0.0071 0.0099 7 ALA 8 HB1 0.0074 0.0180 0.0029 8 ALA 8 HB2 0.0075 0.0145 0.0097 9 ALA 8 HB3 0.0087 0.0123 0.0006 10 ASP 9 N 0.0138 0.0031 -0.0067 11 ASP 9 CA 0.0146 0.0029 -0.0097 12 ASP 9 C 0.0178 0.0022 -0.0098 13 ASP 9 O 0.0188 0.0019 -0.0090 14 ASP 9 CB 0.0129 0.0034 -0.0107 15 ASP 9 CG 0.0132 0.0033 -0.0140 16 ASP 9 OD1 0.0137 0.0032 -0.0156 17 ASP 9 OD2 0.0130 0.0034 -0.0149 18 ASP 9 H 0.0149 0.0028 -0.0053 19 ASP 9 HA 0.0142 0.0031 -0.0110 20 ASP 9 HB2 0.0109 0.0039 -0.0102 21 ASP 9 HB3 0.0136 0.0032 -0.0096 22 PHE 10 N 0.0028 0.0076 -0.0068 23 PHE 10 CA 0.0052 0.0084 -0.0069 24 PHE 10 C 0.0099 0.0131 -0.0079 25 PHE 10 O 0.0091 0.0176 -0.0094 26 PHE 10 CB 0.0003 0.0100 -0.0078 27 PHE 10 CG -0.0032 0.0051 -0.0066 28 PHE 10 CD1 -0.0009 0.0016 -0.0053 29 PHE 10 CD2 -0.0089 0.0041 -0.0067 30 PHE 10 CE1 -0.0041 -0.0028 -0.0043 31 PHE 10 CE2 -0.0122 -0.0004 -0.0056 32 PHE 10 CZ -0.0098 -0.0038 -0.0044 33 PHE 10 H -0.0004 0.0094 -0.0076 34 PHE 10 HA 0.0070 0.0050 -0.0057 35 PHE 10 HB2 -0.0023 0.0124 -0.0087 36 PHE 10 HB3 0.0021 0.0120 -0.0082 37 PHE 10 HD1 0.0030 0.0023 -0.0052 38 PHE 10 HD2 -0.0106 0.0064 -0.0075 39 PHE 10 HE1 -0.0024 -0.0051 -0.0034 40 PHE 10 HE2 -0.0160 -0.0011 -0.0057 41 PHE 10 HZ -0.0120 -0.0068 -0.0037 42 ILE 11 N 0.0108 0.0056 -0.0033 43 ILE 11 CA 0.0097 0.0046 -0.0035 44 ILE 11 C 0.0126 0.0061 -0.0040 45 ILE 11 O 0.0140 0.0087 -0.0024 46 ILE 11 CB 0.0066 0.0054 -0.0009 47 ILE 11 CG1 0.0037 0.0040 -0.0003 48 ILE 11 CG2 0.0057 0.0045 -0.0011 49 ILE 11 CD1 0.0024 0.0008 -0.0025 50 ILE 11 H 0.0115 0.0075 -0.0020 51 ILE 11 HA 0.0091 0.0025 -0.0051 52 ILE 11 HB 0.0072 0.0075 0.0007 53 ILE 11 HG12 0.0044 0.0046 -0.0002 54 ILE 11 HG13 0.0019 0.0046 0.0014 55 ILE 11 HG21 0.0035 0.0044 0.0002 56 ILE 11 HG22 0.0073 0.0059 -0.0008 57 ILE 11 HG23 0.0058 0.0026 -0.0030 58 ILE 11 HD11 0.0005 0.0001 -0.0020 59 ILE 11 HD12 0.0017 0.0001 -0.0027 60 ILE 11 HD13 0.0042 0.0001 -0.0042 61 GLY 12 N 0.0114 -0.0024 -0.0043 62 GLY 12 CA 0.0131 -0.0013 -0.0046 63 GLY 12 C 0.0131 -0.0005 -0.0031 64 GLY 12 O 0.0119 -0.0012 -0.0026 65 GLY 12 H 0.0108 -0.0033 -0.0051 66 GLY 12 HA2 0.0140 -0.0006 -0.0046 67 GLY 12 HA3 0.0135 -0.0017 -0.0060 68 ILE 13 N 0.0083 -0.0036 0.0078 69 ILE 13 CA 0.0057 -0.0031 0.0071 70 ILE 13 C 0.0061 -0.0051 0.0069 71 ILE 13 O 0.0042 -0.0047 0.0064 72 ILE 13 CB 0.0051 0.0005 0.0074 73 ILE 13 CG1 0.0079 0.0020 0.0084 74 ILE 13 CG2 0.0040 0.0023 0.0073 75 ILE 13 CD1 0.0071 0.0052 0.0086 76 ILE 13 H 0.0101 -0.0033 0.0083 77 ILE 13 HA 0.0038 -0.0039 0.0064 78 ILE 13 HB 0.0034 0.0007 0.0069 79 ILE 13 HG12 0.0095 0.0022 0.0089 80 ILE 13 HG13 0.0087 0.0005 0.0084 81 ILE 13 HG21 0.0035 0.0045 0.0075 82 ILE 13 HG22 0.0022 0.0013 0.0067 83 ILE 13 HG23 0.0057 0.0023 0.0078 84 ILE 13 HD11 0.0089 0.0060 0.0093 85 ILE 13 HD12 0.0054 0.0050 0.0081 86 ILE 13 HD13 0.0065 0.0068 0.0087 87 GLY 14 N 0.0110 -0.0193 0.0064 88 GLY 14 CA 0.0067 -0.0182 0.0079 89 GLY 14 C 0.0079 -0.0174 0.0058 90 GLY 14 O 0.0120 -0.0173 0.0028 91 GLY 14 H 0.0140 -0.0206 0.0062 92 GLY 14 HA2 0.0059 -0.0203 0.0114 93 GLY 14 HA3 0.0037 -0.0161 0.0070 94 LYS 15 N 0.0080 -0.0253 0.0129 95 LYS 15 CA 0.0062 -0.0194 0.0017 96 LYS 15 C 0.0096 -0.0180 0.0068 97 LYS 15 O 0.0164 -0.0160 0.0181 98 LYS 15 CB 0.0111 -0.0061 -0.0052 99 LYS 15 CG 0.0076 -0.0057 -0.0128 100 LYS 15 CD 0.0133 0.0080 -0.0187 101 LYS 15 CE 0.0146 0.0164 -0.0268 102 LYS 15 NZ 0.0203 0.0298 -0.0324 103 LYS 15 H 0.0131 -0.0199 0.0162 104 LYS 15 HA -0.0004 -0.0247 -0.0048 105 LYS 15 HB2 0.0176 -0.0013 0.0017 106 LYS 15 HB3 0.0105 -0.0019 -0.0117 107 LYS 15 HG2 0.0013 -0.0099 -0.0202 108 LYS 15 HG3 0.0079 -0.0101 -0.0066 109 LYS 15 HD2 0.0103 0.0079 -0.0246 110 LYS 15 HD3 0.0194 0.0118 -0.0113 111 LYS 15 HE2 0.0176 0.0167 -0.0211 112 LYS 15 HE3 0.0086 0.0129 -0.0344 113 LYS 15 HZ1 0.0257 0.0331 -0.0257 114 LYS 15 HZ2 0.0213 0.0346 -0.0365 115 LYS 15 HZ3 0.0174 0.0299 -0.0383 116 LEU 16 N -0.0012 -0.0163 -0.0001 117 LEU 16 CA -0.0013 -0.0160 -0.0004 118 LEU 16 C -0.0001 -0.0123 0.0012 119 LEU 16 O 0.0006 -0.0123 0.0029 120 LEU 16 CB -0.0031 -0.0160 -0.0044 121 LEU 16 CG -0.0035 -0.0155 -0.0053 122 LEU 16 CD1 -0.0034 -0.0191 -0.0042 123 LEU 16 CD2 -0.0052 -0.0147 -0.0093 124 LEU 16 H -0.0021 -0.0165 -0.0020 125 LEU 16 HA -0.0010 -0.0182 0.0008 126 LEU 16 HB2 -0.0038 -0.0185 -0.0052 127 LEU 16 HB3 -0.0035 -0.0139 -0.0056 128 LEU 16 HG -0.0027 -0.0134 -0.0040 129 LEU 16 HD11 -0.0036 -0.0186 -0.0047 130 LEU 16 HD12 -0.0023 -0.0196 -0.0016 131 LEU 16 HD13 -0.0042 -0.0213 -0.0054 132 LEU 16 HD21 -0.0054 -0.0141 -0.0098 133 LEU 16 HD22 -0.0061 -0.0170 -0.0105 134 LEU 16 HD23 -0.0053 -0.0125 -0.0100 135 ASP 17 N 0.0034 -0.0092 0.0003 136 ASP 17 CA 0.0069 -0.0016 0.0030 137 ASP 17 C 0.0083 -0.0012 0.0113 138 ASP 17 O 0.0112 0.0049 0.0146 139 ASP 17 CB 0.0082 0.0040 -0.0031 140 ASP 17 CG 0.0063 0.0008 -0.0073 141 ASP 17 OD1 0.0034 -0.0053 -0.0107 142 ASP 17 OD2 0.0077 0.0045 -0.0074 143 ASP 17 H 0.0025 -0.0103 -0.0031 144 ASP 17 HA 0.0077 0.0003 0.0034 145 ASP 17 HB2 0.0103 0.0083 -0.0004 146 ASP 17 HB3 0.0081 0.0054 -0.0072 147 ASP 18 N 0.0039 0.0006 0.0139 148 ASP 18 CA 0.0072 0.0001 0.0204 149 ASP 18 C 0.0074 -0.0020 0.0182 150 ASP 18 O 0.0094 -0.0016 0.0232 151 ASP 18 CB 0.0124 -0.0056 0.0246 152 ASP 18 CG 0.0130 -0.0038 0.0281 153 ASP 18 OD1 0.0098 0.0025 0.0293 154 ASP 18 OD2 0.0167 -0.0090 0.0296 155 ASP 18 H 0.0054 -0.0027 0.0128 156 ASP 18 HA 0.0059 0.0048 0.0237 157 ASP 18 HB2 0.0135 -0.0101 0.0210 158 ASP 18 HB3 0.0145 -0.0059 0.0286 159 PHE 19 N -0.0008 -0.0074 0.0123 160 PHE 19 CA -0.0015 -0.0045 0.0111 161 PHE 19 C -0.0017 -0.0032 0.0106 162 PHE 19 O 0.0005 -0.0034 0.0106 163 PHE 19 CB 0.0008 -0.0031 0.0105 164 PHE 19 CG 0.0008 -0.0041 0.0109 165 PHE 19 CD1 -0.0013 -0.0031 0.0105 166 PHE 19 CD2 0.0028 -0.0061 0.0117 167 PHE 19 CE1 -0.0014 -0.0041 0.0110 168 PHE 19 CE2 0.0027 -0.0070 0.0121 169 PHE 19 CZ 0.0006 -0.0061 0.0117 170 PHE 19 H 0.0009 -0.0077 0.0124 171 PHE 19 HA -0.0034 -0.0042 0.0110 172 PHE 19 HB2 0.0028 -0.0034 0.0106 173 PHE 19 HB3 0.0004 -0.0011 0.0097 174 PHE 19 HD1 -0.0026 -0.0017 0.0100 175 PHE 19 HD2 0.0041 -0.0068 0.0120 176 PHE 19 HE1 -0.0028 -0.0034 0.0107 177 PHE 19 HE2 0.0041 -0.0083 0.0126 178 PHE 19 HZ 0.0005 -0.0068 0.0120 179 PRO 20 N -0.0007 -0.0074 0.0019 180 PRO 20 CA 0.0004 -0.0090 0.0030 181 PRO 20 C 0.0008 -0.0077 0.0050 182 PRO 20 O 0.0001 -0.0057 0.0049 183 PRO 20 CB -0.0000 -0.0102 0.0011 184 PRO 20 CG -0.0012 -0.0098 -0.0010 185 PRO 20 CD -0.0018 -0.0074 -0.0005 186 PRO 20 HA 0.0011 -0.0102 0.0036 187 PRO 20 HB2 -0.0002 -0.0095 0.0012 188 PRO 20 HB3 0.0007 -0.0119 0.0012 189 PRO 20 HG2 -0.0017 -0.0098 -0.0022 190 PRO 20 HG3 -0.0009 -0.0110 -0.0015 191 PRO 20 HD2 -0.0023 -0.0062 -0.0007 192 PRO 20 HD3 -0.0023 -0.0073 -0.0015 193 VAL 21 N -0.0034 -0.0000 -0.0033 194 VAL 21 CA -0.0045 -0.0018 -0.0041 195 VAL 21 C -0.0033 -0.0030 -0.0026 196 VAL 21 O -0.0021 -0.0018 -0.0017 197 VAL 21 CB -0.0059 -0.0005 -0.0057 198 VAL 21 CG1 -0.0067 -0.0021 -0.0062 199 VAL 21 CG2 -0.0073 0.0002 -0.0072 200 VAL 21 H -0.0037 0.0015 -0.0038 201 VAL 21 HA -0.0052 -0.0031 -0.0045 202 VAL 21 HB -0.0053 0.0011 -0.0054 203 VAL 21 HG11 -0.0078 -0.0015 -0.0074 204 VAL 21 HG12 -0.0059 -0.0020 -0.0053 205 VAL 21 HG13 -0.0070 -0.0038 -0.0061 206 VAL 21 HG21 -0.0082 0.0011 -0.0082 207 VAL 21 HG22 -0.0079 -0.0013 -0.0075 208 VAL 21 HG23 -0.0067 0.0014 -0.0069 209 GLY 22 N -0.0015 -0.0011 0.0020 210 GLY 22 CA -0.0001 -0.0030 0.0043 211 GLY 22 C 0.0017 -0.0028 0.0031 212 GLY 22 O 0.0031 -0.0045 0.0049 213 GLY 22 H -0.0038 -0.0004 0.0021 214 GLY 22 HA2 -0.0020 -0.0035 0.0060 215 GLY 22 HA3 0.0017 -0.0041 0.0051 216 ILE 23 N 0.0047 -0.0068 0.0136 217 ILE 23 CA 0.0034 -0.0065 0.0084 218 ILE 23 C -0.0044 -0.0023 0.0055 219 ILE 23 O -0.0066 -0.0014 0.0005 220 ILE 23 CB 0.0083 -0.0100 0.0011 221 ILE 23 CG1 0.0161 -0.0141 0.0044 222 ILE 23 CG2 0.0067 -0.0095 -0.0046 223 ILE 23 CD1 0.0214 -0.0178 -0.0020 224 ILE 23 H 0.0037 -0.0064 0.0112 225 ILE 23 HA 0.0044 -0.0068 0.0116 226 ILE 23 HB 0.0075 -0.0098 -0.0022 227 ILE 23 HG12 0.0167 -0.0141 0.0086 228 ILE 23 HG13 0.0171 -0.0145 0.0067 229 ILE 23 HG21 0.0099 -0.0118 -0.0091 230 ILE 23 HG22 0.0018 -0.0069 -0.0068 231 ILE 23 HG23 0.0073 -0.0096 -0.0016 232 ILE 23 HD11 0.0261 -0.0203 0.0003 233 ILE 23 HD12 0.0203 -0.0175 -0.0067 234 ILE 23 HD13 0.0212 -0.0178 -0.0034 235 PRO 24 N -0.0025 0.0016 0.0037 236 PRO 24 CA -0.0045 0.0038 0.0027 237 PRO 24 C -0.0052 0.0033 -0.0005 238 PRO 24 O -0.0047 0.0018 -0.0022 239 PRO 24 CB -0.0056 0.0054 0.0034 240 PRO 24 CG -0.0041 0.0045 0.0058 241 PRO 24 CD -0.0023 0.0018 0.0051 242 PRO 24 HA -0.0047 0.0045 0.0038 243 PRO 24 HB2 -0.0060 0.0052 0.0017 244 PRO 24 HB3 -0.0067 0.0071 0.0040 245 PRO 24 HG2 -0.0044 0.0050 0.0058 246 PRO 24 HG3 -0.0040 0.0052 0.0076 247 PRO 24 HD2 -0.0021 0.0011 0.0038 248 PRO 24 HD3 -0.0012 0.0011 0.0068 249 LYS 25 N -0.0102 0.0030 0.0044 250 LYS 25 CA -0.0124 0.0024 -0.0027 251 LYS 25 C -0.0161 0.0103 -0.0045 252 LYS 25 O -0.0163 0.0151 0.0006 253 LYS 25 CB -0.0105 -0.0020 -0.0022 254 LYS 25 CG -0.0071 -0.0104 -0.0020 255 LYS 25 CD -0.0082 -0.0141 -0.0094 256 LYS 25 CE -0.0049 -0.0217 -0.0086 257 LYS 25 NZ -0.0042 -0.0280 -0.0138 258 LYS 25 H -0.0101 0.0058 0.0082 259 LYS 25 HA -0.0128 -0.0002 -0.0068 260 LYS 25 HB2 -0.0097 -0.0000 0.0025 261 LYS 25 HB3 -0.0122 -0.0013 -0.0066 262 LYS 25 HG2 -0.0054 -0.0112 0.0023 263 LYS 25 HG3 -0.0060 -0.0128 -0.0015 264 LYS 25 HD2 -0.0093 -0.0148 -0.0134 265 LYS 25 HD3 -0.0100 -0.0107 -0.0108 266 LYS 25 HE2 -0.0054 -0.0215 -0.0097 267 LYS 25 HE3 -0.0027 -0.0229 -0.0033 268 LYS 25 HZ1 -0.0023 -0.0323 -0.0132 269 LYS 25 HZ2 -0.0038 -0.0283 -0.0129 270 LYS 25 HZ3 -0.0062 -0.0271 -0.0187 271 LYS 26 N -0.0198 -0.0085 0.0034 272 LYS 26 CA -0.0179 0.0080 -0.0021 273 LYS 26 C -0.0178 0.0184 -0.0017 274 LYS 26 O -0.0162 0.0134 -0.0081 275 LYS 26 CB -0.0135 0.0058 -0.0189 276 LYS 26 CG -0.0113 0.0202 -0.0262 277 LYS 26 CD -0.0079 0.0148 -0.0393 278 LYS 26 CE -0.0052 0.0013 -0.0508 279 LYS 26 NZ -0.0009 0.0037 -0.0669 280 LYS 26 H -0.0180 -0.0146 -0.0039 281 LYS 26 HA -0.0195 0.0137 0.0045 282 LYS 26 HB2 -0.0138 -0.0029 -0.0186 283 LYS 26 HB3 -0.0118 0.0025 -0.0259 284 LYS 26 HG2 -0.0099 0.0272 -0.0309 285 LYS 26 HG3 -0.0133 0.0263 -0.0181 286 LYS 26 HD2 -0.0060 0.0243 -0.0457 287 LYS 26 HD3 -0.0094 0.0107 -0.0342 288 LYS 26 HE2 -0.0065 -0.0094 -0.0469 289 LYS 26 HE3 -0.0049 0.0018 -0.0518 290 LYS 26 HZ1 -0.0010 0.0083 -0.0660 291 LYS 26 HZ2 0.0002 -0.0059 -0.0719 292 LYS 26 HZ3 0.0008 0.0103 -0.0727 293 VAL 27 N -0.0165 0.0141 0.0033 294 VAL 27 CA -0.0152 0.0117 0.0059 295 VAL 27 C -0.0130 0.0154 0.0051 296 VAL 27 O -0.0111 0.0198 0.0035 297 VAL 27 CB -0.0119 0.0090 0.0104 298 VAL 27 CG1 -0.0142 0.0051 0.0113 299 VAL 27 CG2 -0.0073 0.0126 0.0114 300 VAL 27 H -0.0144 0.0168 0.0030 301 VAL 27 HA -0.0181 0.0094 0.0053 302 VAL 27 HB -0.0112 0.0074 0.0120 303 VAL 27 HG11 -0.0121 0.0032 0.0142 304 VAL 27 HG12 -0.0172 0.0029 0.0105 305 VAL 27 HG13 -0.0147 0.0067 0.0098 306 VAL 27 HG21 -0.0055 0.0108 0.0141 307 VAL 27 HG22 -0.0080 0.0147 0.0094 308 VAL 27 HG23 -0.0055 0.0146 0.0114 309 ALA 28 N -0.0201 0.0144 0.0134 310 ALA 28 CA -0.0163 0.0135 0.0138 311 ALA 28 C -0.0053 0.0128 0.0137 312 ALA 28 O -0.0009 0.0095 0.0153 313 ALA 28 CB -0.0201 0.0055 0.0184 314 ALA 28 H -0.0227 0.0099 0.0160 315 ALA 28 HA -0.0182 0.0185 0.0111 316 ALA 28 HB1 -0.0175 0.0049 0.0186 317 ALA 28 HB2 -0.0271 0.0058 0.0185 318 ALA 28 HB3 -0.0180 0.0006 0.0209 319 VAL 29 N -0.0043 0.0117 0.0105 320 VAL 29 CA -0.0004 0.0109 0.0102 321 VAL 29 C -0.0006 0.0088 0.0111 322 VAL 29 O -0.0020 0.0102 0.0108 323 VAL 29 CB 0.0017 0.0141 0.0086 324 VAL 29 CG1 0.0058 0.0130 0.0084 325 VAL 29 CG2 0.0015 0.0164 0.0078 326 VAL 29 H -0.0055 0.0129 0.0102 327 VAL 29 HA 0.0008 0.0095 0.0106 328 VAL 29 HB 0.0007 0.0154 0.0083 329 VAL 29 HG11 0.0072 0.0151 0.0074 330 VAL 29 HG12 0.0059 0.0119 0.0089 331 VAL 29 HG13 0.0068 0.0114 0.0089 332 VAL 29 HG21 0.0031 0.0183 0.0068 333 VAL 29 HG22 0.0024 0.0151 0.0082 334 VAL 29 HG23 -0.0010 0.0173 0.0078 335 THR 30 N -0.0080 0.0042 0.0146 336 THR 30 CA -0.0068 -0.0023 0.0202 337 THR 30 C -0.0034 -0.0086 0.0155 338 THR 30 O -0.0031 -0.0077 0.0123 339 THR 30 CB -0.0091 0.0004 0.0264 340 THR 30 OG1 -0.0097 0.0042 0.0224 341 THR 30 CG2 -0.0124 0.0060 0.0317 342 THR 30 H -0.0079 0.0057 0.0115 343 THR 30 HA -0.0066 -0.0044 0.0229 344 THR 30 HB -0.0082 -0.0041 0.0297 345 THR 30 HG1 -0.0080 0.0010 0.0200 346 THR 30 HG21 -0.0137 0.0071 0.0361 347 THR 30 HG22 -0.0121 0.0039 0.0339 348 THR 30 HG23 -0.0135 0.0108 0.0286 349 SER 31 N -0.0234 0.0008 0.0004 350 SER 31 CA -0.0167 -0.0031 0.0004 351 SER 31 C -0.0173 -0.0092 0.0056 352 SER 31 O -0.0218 -0.0100 0.0083 353 SER 31 CB -0.0127 -0.0012 -0.0030 354 SER 31 OG -0.0063 -0.0053 -0.0026 355 SER 31 H -0.0248 0.0028 -0.0006 356 SER 31 HA -0.0142 -0.0031 -0.0007 357 SER 31 HB2 -0.0119 0.0025 -0.0063 358 SER 31 HB3 -0.0152 -0.0008 -0.0021 359 SER 31 HG -0.0042 -0.0041 -0.0045 360 SER 32 N -0.0471 -0.0187 -0.0008 361 SER 32 CA -0.0337 -0.0088 0.0181 362 SER 32 C -0.0024 0.0209 0.0042 363 SER 32 O 0.0083 0.0299 0.0089 364 SER 32 CB -0.0319 -0.0124 0.0642 365 SER 32 OG -0.0178 -0.0011 0.0767 366 SER 32 H -0.0477 -0.0210 0.0150 367 SER 32 HA -0.0466 -0.0196 0.0108 368 SER 32 HB2 -0.0202 -0.0032 0.0763 369 SER 32 HB3 -0.0522 -0.0317 0.0731 370 SER 32 HG -0.0182 -0.0044 0.1018 371 LYS 33 N -0.0001 0.0098 -0.0018 372 LYS 33 CA 0.0062 0.0008 -0.0014 373 LYS 33 C 0.0145 -0.0020 0.0061 374 LYS 33 O 0.0152 -0.0006 0.0081 375 LYS 33 CB 0.0039 -0.0076 -0.0104 376 LYS 33 CG -0.0033 -0.0065 -0.0178 377 LYS 33 CD -0.0074 -0.0127 -0.0272 378 LYS 33 CE -0.0134 -0.0129 -0.0344 379 LYS 33 NZ -0.0201 -0.0145 -0.0433 380 LYS 33 H -0.0033 0.0088 -0.0063 381 LYS 33 HA 0.0066 0.0018 -0.0001 382 LYS 33 HB2 0.0023 -0.0078 -0.0123 383 LYS 33 HB3 0.0085 -0.0138 -0.0097 384 LYS 33 HG2 -0.0013 -0.0087 -0.0172 385 LYS 33 HG3 -0.0073 0.0004 -0.0173 386 LYS 33 HD2 -0.0103 -0.0098 -0.0284 387 LYS 33 HD3 -0.0033 -0.0194 -0.0276 388 LYS 33 HE2 -0.0106 -0.0183 -0.0351 389 LYS 33 HE3 -0.0159 -0.0066 -0.0325 390 LYS 33 HZ1 -0.0235 -0.0145 -0.0473 391 LYS 33 HZ2 -0.0228 -0.0097 -0.0428 392 LYS 33 HZ3 -0.0180 -0.0203 -0.0453 393 MET 34 N -0.0029 0.0024 -0.0074 394 MET 34 CA 0.0187 0.0003 0.0029 395 MET 34 C 0.0194 -0.0222 0.0087 396 MET 34 O 0.0356 -0.0241 0.0165 397 MET 34 CB 0.0254 0.0226 0.0006 398 MET 34 CG 0.0297 0.0456 -0.0030 399 MET 34 SD 0.0582 0.0513 0.0086 400 MET 34 CE 0.0575 0.0337 0.0125 401 MET 34 H -0.0137 0.0034 -0.0125 402 MET 34 HA 0.0297 -0.0005 0.0081 403 MET 34 HB2 0.0134 0.0246 -0.0053 404 MET 34 HB3 0.0391 0.0201 0.0074 405 MET 34 HG2 0.0199 0.0447 -0.0072 406 MET 34 HG3 0.0264 0.0589 -0.0077 407 MET 34 HE1 0.0699 0.0397 0.0167 408 MET 34 HE2 0.0590 0.0172 0.0172 409 MET 34 HE3 0.0434 0.0349 0.0058 410 ASP 35 N 0.0167 -0.0561 0.0100 411 ASP 35 CA 0.0176 -0.0673 0.0125 412 ASP 35 C 0.0083 -0.0477 0.0240 413 ASP 35 O 0.0038 -0.0233 0.0238 414 ASP 35 CB 0.0310 -0.0737 -0.0123 415 ASP 35 CG 0.0350 -0.0492 -0.0297 416 ASP 35 OD1 0.0375 -0.0393 -0.0386 417 ASP 35 OD2 0.0349 -0.0385 -0.0337 418 ASP 35 H 0.0230 -0.0507 -0.0048 419 ASP 35 HA 0.0155 -0.0838 0.0232 420 ASP 35 HB2 0.0315 -0.0816 -0.0103 421 ASP 35 HB3 0.0368 -0.0861 -0.0193 422 ALA 36 N 0.0113 -0.0533 0.0094 423 ALA 36 CA -0.0501 0.0002 -0.0087 424 ALA 36 C 0.0093 0.0347 0.0414 425 ALA 36 O -0.0106 0.0155 0.0217 426 ALA 36 CB -0.1208 0.0966 -0.0163 427 ALA 36 H -0.0018 -0.0240 0.0123 428 ALA 36 HA -0.0871 -0.0501 -0.0508 429 ALA 36 HB1 -0.1614 0.1322 -0.0282 430 ALA 36 HB2 -0.1611 0.0713 -0.0510 431 ALA 36 HB3 -0.0836 0.1459 0.0255 432 TRP 37 N -0.0104 0.0144 0.0018 433 TRP 37 CA -0.0090 0.0136 0.0042 434 TRP 37 C -0.0064 0.0125 0.0035 435 TRP 37 O -0.0046 0.0117 0.0045 436 TRP 37 CB -0.0102 0.0139 0.0061 437 TRP 37 CG -0.0088 0.0131 0.0086 438 TRP 37 CD1 -0.0091 0.0131 0.0109 439 TRP 37 CD2 -0.0069 0.0123 0.0092 440 TRP 37 NE1 -0.0076 0.0122 0.0128 441 TRP 37 CE2 -0.0062 0.0117 0.0118 442 TRP 37 CE3 -0.0057 0.0119 0.0078 443 TRP 37 CZ2 -0.0043 0.0109 0.0130 444 TRP 37 CZ3 -0.0039 0.0110 0.0089 445 TRP 37 CH2 -0.0032 0.0105 0.0115 446 TRP 37 H -0.0117 0.0149 0.0018 447 TRP 37 HA -0.0089 0.0135 0.0049 448 TRP 37 HB2 -0.0118 0.0146 0.0066 449 TRP 37 HB3 -0.0102 0.0140 0.0053 450 TRP 37 HD1 -0.0103 0.0135 0.0111 451 TRP 37 HE1 -0.0075 0.0121 0.0143 452 TRP 37 HE3 -0.0061 0.0122 0.0060 453 TRP 37 HZ2 -0.0039 0.0105 0.0147 454 TRP 37 HZ3 -0.0031 0.0107 0.0080 455 TRP 37 HH2 -0.0020 0.0099 0.0123 456 ASN 38 N 0.0001 -0.0024 -0.0076 457 ASN 38 CA -0.0001 0.0041 -0.0088 458 ASN 38 C -0.0029 0.0076 -0.0016 459 ASN 38 O -0.0037 0.0146 -0.0013 460 ASN 38 CB 0.0017 0.0016 -0.0134 461 ASN 38 CG 0.0044 0.0028 -0.0216 462 ASN 38 OD1 0.0048 0.0095 -0.0244 463 ASN 38 ND2 0.0064 -0.0035 -0.0256 464 ASN 38 H 0.0008 -0.0069 -0.0087 465 ASN 38 HA 0.0005 0.0082 -0.0116 466 ASN 38 HB2 0.0018 -0.0039 -0.0124 467 ASN 38 HB3 0.0009 0.0046 -0.0119 468 ASN 38 HD21 0.0080 -0.0031 -0.0303 469 ASN 38 HD22 0.0061 -0.0080 -0.0234 470 ILE 39 N 0.0064 0.0111 0.0001 471 ILE 39 CA 0.0086 0.0167 0.0097 472 ILE 39 C 0.0094 0.0173 0.0128 473 ILE 39 O 0.0094 0.0253 0.0161 474 ILE 39 CB 0.0116 0.0117 0.0177 475 ILE 39 CG1 0.0108 0.0119 0.0149 476 ILE 39 CG2 0.0139 0.0174 0.0277 477 ILE 39 CD1 0.0137 0.0052 0.0215 478 ILE 39 H 0.0072 0.0055 0.0002 479 ILE 39 HA 0.0074 0.0236 0.0090 480 ILE 39 HB 0.0127 0.0045 0.0181 481 ILE 39 HG12 0.0101 0.0189 0.0156 482 ILE 39 HG13 0.0090 0.0094 0.0081 483 ILE 39 HG21 0.0157 0.0152 0.0324 484 ILE 39 HG22 0.0148 0.0159 0.0299 485 ILE 39 HG23 0.0127 0.0248 0.0268 486 ILE 39 HD11 0.0129 0.0050 0.0190 487 ILE 39 HD12 0.0145 -0.0017 0.0214 488 ILE 39 HD13 0.0153 0.0081 0.0282 489 PHE 40 N -0.0022 0.0288 0.0027 490 PHE 40 CA 0.0042 0.0135 0.0031 491 PHE 40 C -0.0063 0.0090 -0.0001 492 PHE 40 O 0.0003 0.0061 0.0014 493 PHE 40 CB 0.0041 -0.0008 0.0018 494 PHE 40 CG 0.0087 -0.0176 0.0016 495 PHE 40 CD1 0.0254 -0.0227 0.0056 496 PHE 40 CD2 -0.0034 -0.0286 -0.0026 497 PHE 40 CE1 0.0297 -0.0383 0.0054 498 PHE 40 CE2 0.0009 -0.0442 -0.0028 499 PHE 40 CZ 0.0176 -0.0490 0.0012 500 PHE 40 H -0.0052 0.0270 0.0018 501 PHE 40 HA 0.0155 0.0152 0.0063 502 PHE 40 HB2 0.0120 0.0019 0.0042 503 PHE 40 HB3 -0.0071 -0.0015 -0.0012 504 PHE 40 HD1 0.0336 -0.0153 0.0085 505 PHE 40 HD2 -0.0146 -0.0253 -0.0053 506 PHE 40 HE1 0.0409 -0.0417 0.0081 507 PHE 40 HE2 -0.0072 -0.0515 -0.0056 508 PHE 40 HZ 0.0206 -0.0600 0.0011 509 GLU 41 N -0.0094 0.0036 -0.0078 510 GLU 41 CA -0.0135 0.0032 -0.0099 511 GLU 41 C -0.0128 0.0101 -0.0093 512 GLU 41 O -0.0135 0.0097 -0.0096 513 GLU 41 CB -0.0207 0.0019 -0.0137 514 GLU 41 CG -0.0242 -0.0039 -0.0158 515 GLU 41 CD -0.0213 -0.0117 -0.0147 516 GLU 41 OE1 -0.0173 -0.0130 -0.0126 517 GLU 41 OE2 -0.0231 -0.0166 -0.0159 518 GLU 41 H -0.0116 0.0036 -0.0090 519 GLU 41 HA -0.0120 -0.0011 -0.0094 520 GLU 41 HB2 -0.0208 0.0002 -0.0139 521 GLU 41 HB3 -0.0231 0.0066 -0.0148 522 GLU 41 HG2 -0.0288 -0.0040 -0.0182 523 GLU 41 HG3 -0.0237 -0.0025 -0.0155 524 GLY 42 N -0.0075 0.0089 -0.0033 525 GLY 42 CA -0.0057 0.0112 -0.0039 526 GLY 42 C -0.0010 0.0100 -0.0035 527 GLY 42 O 0.0003 0.0103 -0.0035 528 GLY 42 H -0.0080 0.0104 -0.0037 529 GLY 42 HA2 -0.0075 0.0107 -0.0038 530 GLY 42 HA3 -0.0057 0.0143 -0.0046 531 LEU 43 N 0.0205 -0.0041 -0.0061 532 LEU 43 CA 0.0108 -0.0024 -0.0098 533 LEU 43 C 0.0150 0.0106 0.0018 534 LEU 43 O 0.0131 0.0096 0.0000 535 LEU 43 CB -0.0095 0.0021 -0.0169 536 LEU 43 CG -0.0164 -0.0108 -0.0299 537 LEU 43 CD1 -0.0349 -0.0033 -0.0338 538 LEU 43 CD2 -0.0172 -0.0247 -0.0403 539 LEU 43 H 0.0141 0.0008 -0.0059 540 LEU 43 HA 0.0143 -0.0127 -0.0156 541 LEU 43 HB2 -0.0126 0.0119 -0.0113 542 LEU 43 HB3 -0.0158 0.0042 -0.0186 543 LEU 43 HG -0.0083 -0.0154 -0.0290 544 LEU 43 HD11 -0.0392 -0.0118 -0.0421 545 LEU 43 HD12 -0.0341 0.0051 -0.0273 546 LEU 43 HD13 -0.0431 0.0015 -0.0345 547 LEU 43 HD21 -0.0219 -0.0327 -0.0486 548 LEU 43 HD22 -0.0251 -0.0201 -0.0410 549 LEU 43 HD23 -0.0051 -0.0297 -0.0379 550 VAL 44 N 0.0070 0.0167 0.0014 551 VAL 44 CA 0.0076 0.0104 0.0044 552 VAL 44 C 0.0021 0.0165 -0.0039 553 VAL 44 O 0.0058 0.0193 -0.0008 554 VAL 44 CB 0.0039 -0.0057 0.0059 555 VAL 44 CG1 -0.0059 -0.0100 -0.0035 556 VAL 44 CG2 0.0029 -0.0119 0.0071 557 VAL 44 H 0.0014 0.0136 -0.0036 558 VAL 44 HA 0.0145 0.0125 0.0113 559 VAL 44 HB 0.0087 -0.0094 0.0126 560 VAL 44 HG11 -0.0099 -0.0184 -0.0050 561 VAL 44 HG12 -0.0047 -0.0118 -0.0015 562 VAL 44 HG13 -0.0092 -0.0025 -0.0099 563 VAL 44 HG21 0.0026 -0.0218 0.0102 564 VAL 44 HG22 -0.0030 -0.0105 -0.0001 565 VAL 44 HG23 0.0087 -0.0072 0.0118 566 VAL 44 N 0.0068 0.0167 0.0013 567 VAL 44 CA 0.0074 0.0098 0.0044 568 VAL 44 C 0.0016 0.0149 -0.0039 569 VAL 44 O 0.0046 0.0149 -0.0005 570 VAL 44 CB 0.0042 -0.0063 0.0065 571 VAL 44 CG1 0.0111 -0.0118 0.0162 572 VAL 44 CG2 -0.0066 -0.0112 -0.0038 573 VAL 44 H 0.0013 0.0139 -0.0039 574 VAL 44 HA 0.0143 0.0123 0.0112 575 VAL 44 HB 0.0048 -0.0102 0.0085 576 VAL 44 HG11 0.0134 -0.0190 0.0213 577 VAL 44 HG12 0.0166 -0.0041 0.0197 578 VAL 44 HG13 0.0075 -0.0157 0.0135 579 VAL 44 HG21 -0.0076 -0.0204 -0.0017 580 VAL 44 HG22 -0.0080 -0.0046 -0.0078 581 VAL 44 HG23 -0.0108 -0.0118 -0.0083 582 MET 45 N -0.0008 0.0085 -0.0079 583 MET 45 CA -0.0016 0.0093 -0.0092 584 MET 45 C -0.0014 0.0127 -0.0119 585 MET 45 O -0.0038 0.0133 -0.0142 586 MET 45 CB -0.0050 0.0071 -0.0101 587 MET 45 CG -0.0056 0.0037 -0.0077 588 MET 45 SD -0.0045 0.0024 -0.0058 589 MET 45 CE -0.0074 0.0027 -0.0082 590 MET 45 H -0.0021 0.0085 -0.0089 591 MET 45 HA -0.0001 0.0091 -0.0079 592 MET 45 HB2 -0.0065 0.0073 -0.0114 593 MET 45 HB3 -0.0055 0.0078 -0.0110 594 MET 45 HG2 -0.0044 0.0031 -0.0063 595 MET 45 HG3 -0.0080 0.0025 -0.0084 596 MET 45 HE1 -0.0070 0.0020 -0.0073 597 MET 45 HE2 -0.0095 0.0015 -0.0088 598 MET 45 HE3 -0.0071 0.0049 -0.0098 599 GLY 46 N -0.0029 0.0284 -0.0160 600 GLY 46 CA -0.0042 0.0293 -0.0125 601 GLY 46 C -0.0084 0.0327 -0.0128 602 GLY 46 O -0.0097 0.0337 -0.0095 603 GLY 46 H -0.0037 0.0290 -0.0154 604 GLY 46 HA2 -0.0026 0.0281 -0.0130 605 GLY 46 HA3 -0.0037 0.0289 -0.0092 606 SER 47 N -0.0061 0.0369 -0.0124 607 SER 47 CA -0.0079 0.0320 -0.0112 608 SER 47 C -0.0094 0.0291 -0.0092 609 SER 47 O -0.0089 0.0299 -0.0103 610 SER 47 CB -0.0073 0.0290 -0.0157 611 SER 47 OG -0.0059 0.0289 -0.0198 612 SER 47 H -0.0059 0.0371 -0.0131 613 SER 47 HA -0.0087 0.0324 -0.0087 614 SER 47 HB2 -0.0085 0.0256 -0.0149 615 SER 47 HB3 -0.0065 0.0306 -0.0166 616 SER 47 HG -0.0049 0.0296 -0.0223 617 VAL 48 N -0.0048 0.0175 0.0044 618 VAL 48 CA -0.0052 0.0176 0.0036 619 VAL 48 C -0.0078 0.0164 0.0035 620 VAL 48 O -0.0091 0.0154 0.0048 621 VAL 48 CB -0.0035 0.0178 0.0053 622 VAL 48 CG1 -0.0009 0.0191 0.0052 623 VAL 48 CG2 -0.0041 0.0166 0.0080 624 VAL 48 H -0.0056 0.0167 0.0056 625 VAL 48 HA -0.0048 0.0183 0.0019 626 VAL 48 HB -0.0039 0.0178 0.0048 627 VAL 48 HG11 0.0001 0.0191 0.0063 628 VAL 48 HG12 -0.0006 0.0198 0.0035 629 VAL 48 HG13 -0.0005 0.0191 0.0057 630 VAL 48 HG21 -0.0029 0.0168 0.0091 631 VAL 48 HG22 -0.0039 0.0165 0.0085 632 VAL 48 HG23 -0.0057 0.0159 0.0081 633 TRP 49 N -0.0098 0.0186 0.0032 634 TRP 49 CA -0.0092 0.0135 0.0045 635 TRP 49 C -0.0108 0.0133 0.0094 636 TRP 49 O -0.0124 0.0150 0.0127 637 TRP 49 CB -0.0085 0.0102 0.0046 638 TRP 49 CG -0.0066 0.0089 -0.0001 639 TRP 49 CD1 -0.0062 0.0105 -0.0024 640 TRP 49 CD2 -0.0049 0.0057 -0.0032 641 TRP 49 NE1 -0.0043 0.0086 -0.0067 642 TRP 49 CE2 -0.0035 0.0055 -0.0073 643 TRP 49 CE3 -0.0044 0.0029 -0.0029 644 TRP 49 CZ2 -0.0016 0.0027 -0.0110 645 TRP 49 CZ3 -0.0025 0.0000 -0.0066 646 TRP 49 CH2 -0.0011 -0.0001 -0.0106 647 TRP 49 H -0.0103 0.0193 0.0042 648 TRP 49 HA -0.0081 0.0123 0.0022 649 TRP 49 HB2 -0.0094 0.0118 0.0062 650 TRP 49 HB3 -0.0085 0.0071 0.0064 651 TRP 49 HD1 -0.0070 0.0126 -0.0012 652 TRP 49 HE1 -0.0037 0.0092 -0.0088 653 TRP 49 HE3 -0.0053 0.0029 -0.0002 654 TRP 49 HZ2 -0.0006 0.0027 -0.0137 655 TRP 49 HZ3 -0.0022 -0.0018 -0.0064 656 TRP 49 HH2 0.0001 -0.0020 -0.0130 657 VAL 50 N -0.0088 0.0114 0.0091 658 VAL 50 CA -0.0067 0.0105 0.0106 659 VAL 50 C -0.0073 0.0102 0.0105 660 VAL 50 O -0.0093 0.0089 0.0101 661 VAL 50 CB -0.0064 0.0080 0.0120 662 VAL 50 CG1 -0.0042 0.0071 0.0136 663 VAL 50 CG2 -0.0060 0.0082 0.0121 664 VAL 50 H -0.0101 0.0103 0.0090 665 VAL 50 HA -0.0051 0.0118 0.0108 666 VAL 50 HB -0.0079 0.0068 0.0119 667 VAL 50 HG11 -0.0038 0.0057 0.0145 668 VAL 50 HG12 -0.0047 0.0066 0.0136 669 VAL 50 HG13 -0.0028 0.0085 0.0136 670 VAL 50 HG21 -0.0057 0.0067 0.0131 671 VAL 50 HG22 -0.0046 0.0096 0.0121 672 VAL 50 HG23 -0.0075 0.0086 0.0112 673 ILE 51 N -0.0097 0.0115 0.0109 674 ILE 51 CA -0.0106 0.0117 0.0105 675 ILE 51 C -0.0108 0.0117 0.0106 676 ILE 51 O -0.0104 0.0116 0.0100 677 ILE 51 CB -0.0107 0.0116 0.0094 678 ILE 51 CG1 -0.0103 0.0115 0.0092 679 ILE 51 CG2 -0.0117 0.0118 0.0091 680 ILE 51 CD1 -0.0093 0.0113 0.0087 681 ILE 51 H -0.0092 0.0114 0.0107 682 ILE 51 HA -0.0111 0.0118 0.0109 683 ILE 51 HB -0.0103 0.0115 0.0090 684 ILE 51 HG12 -0.0108 0.0116 0.0088 685 ILE 51 HG13 -0.0102 0.0116 0.0099 686 ILE 51 HG21 -0.0118 0.0118 0.0084 687 ILE 51 HG22 -0.0120 0.0119 0.0091 688 ILE 51 HG23 -0.0121 0.0119 0.0095 689 ILE 51 HD11 -0.0091 0.0113 0.0086 690 ILE 51 HD12 -0.0089 0.0112 0.0091 691 ILE 51 HD13 -0.0094 0.0113 0.0080 692 ARG 52 N -0.0101 0.0041 0.0058 693 ARG 52 CA -0.0081 0.0040 0.0038 694 ARG 52 C -0.0069 0.0068 0.0033 695 ARG 52 O -0.0076 0.0087 0.0044 696 ARG 52 CB -0.0080 0.0029 0.0035 697 ARG 52 CG -0.0060 0.0027 0.0015 698 ARG 52 CD -0.0063 0.0020 0.0016 699 ARG 52 NE -0.0045 0.0018 -0.0003 700 ARG 52 CZ -0.0043 0.0012 -0.0005 701 ARG 52 NH1 -0.0059 0.0008 0.0009 702 ARG 52 NH2 -0.0026 0.0011 -0.0023 703 ARG 52 H -0.0108 0.0041 0.0066 704 ARG 52 HA -0.0075 0.0028 0.0030 705 ARG 52 HB2 -0.0088 0.0012 0.0039 706 ARG 52 HB3 -0.0086 0.0041 0.0043 707 ARG 52 HG2 -0.0052 0.0044 0.0009 708 ARG 52 HG3 -0.0055 0.0013 0.0006 709 ARG 52 HD2 -0.0071 0.0003 0.0020 710 ARG 52 HD3 -0.0069 0.0033 0.0025 711 ARG 52 HE -0.0034 0.0020 -0.0013 712 ARG 52 HH11 -0.0070 0.0008 0.0021 713 ARG 52 HH12 -0.0058 0.0004 0.0007 714 ARG 52 HH21 -0.0016 0.0014 -0.0033 715 ARG 52 HH22 -0.0025 0.0007 -0.0025 716 GLN 53 N -0.0125 0.0119 -0.0013 717 GLN 53 CA -0.0110 0.0150 -0.0022 718 GLN 53 C -0.0093 0.0141 -0.0027 719 GLN 53 O -0.0088 0.0112 -0.0025 720 GLN 53 CB -0.0086 0.0161 -0.0032 721 GLN 53 CG -0.0099 0.0161 -0.0027 722 GLN 53 CD -0.0125 0.0190 -0.0021 723 GLN 53 OE1 -0.0121 0.0219 -0.0026 724 GLN 53 NE2 -0.0151 0.0181 -0.0011 725 GLN 53 H -0.0111 0.0105 -0.0016 726 GLN 53 HA -0.0126 0.0169 -0.0019 727 GLN 53 HB2 -0.0066 0.0146 -0.0036 728 GLN 53 HB3 -0.0079 0.0185 -0.0036 729 GLN 53 HG2 -0.0109 0.0140 -0.0021 730 GLN 53 HG3 -0.0081 0.0165 -0.0033 731 GLN 53 HE21 -0.0153 0.0161 -0.0008 732 GLN 53 HE22 -0.0167 0.0197 -0.0008 733 LYS 54 N -0.0224 0.0141 -0.0070 734 LYS 54 CA -0.0118 0.0029 -0.0048 735 LYS 54 C -0.0101 0.0043 0.0019 736 LYS 54 O -0.0023 -0.0049 0.0015 737 LYS 54 CB -0.0032 -0.0018 0.0055 738 LYS 54 CG -0.0008 -0.0082 -0.0015 739 LYS 54 CD 0.0056 -0.0098 0.0099 740 LYS 54 CE 0.0020 -0.0083 0.0048 741 LYS 54 NZ 0.0030 -0.0168 -0.0096 742 LYS 54 H -0.0224 0.0167 -0.0018 743 LYS 54 HA -0.0110 -0.0030 -0.0143 744 LYS 54 HB2 -0.0056 0.0051 0.0134 745 LYS 54 HB3 0.0034 -0.0075 0.0095 746 LYS 54 HG2 0.0033 -0.0162 -0.0076 747 LYS 54 HG3 -0.0075 -0.0034 -0.0075 748 LYS 54 HD2 0.0044 -0.0037 0.0190 749 LYS 54 HD3 0.0132 -0.0179 0.0113 750 LYS 54 HE2 -0.0054 -0.0000 0.0039 751 LYS 54 HE3 0.0065 -0.0098 0.0120 752 LYS 54 HZ1 0.0008 -0.0156 -0.0122 753 LYS 54 HZ2 0.0098 -0.0245 -0.0091 754 LYS 54 HZ3 -0.0010 -0.0156 -0.0165 755 ASP 55 N 0.0025 0.0113 -0.0032 756 ASP 55 CA -0.0013 0.0105 -0.0092 757 ASP 55 C -0.0104 0.0091 -0.0199 758 ASP 55 O -0.0154 0.0084 -0.0250 759 ASP 55 CB -0.0069 0.0115 0.0004 760 ASP 55 CG -0.0198 0.0116 0.0049 761 ASP 55 OD1 -0.0230 0.0114 0.0038 762 ASP 55 OD2 -0.0268 0.0120 0.0095 763 ASP 55 H -0.0028 0.0118 0.0023 764 ASP 55 HA 0.0062 0.0103 -0.0126 765 ASP 55 HB2 -0.0076 0.0110 -0.0033 766 ASP 55 HB3 -0.0014 0.0124 0.0076 767 ASP 56 N -0.0028 0.0076 -0.0105 768 ASP 56 CA -0.0043 0.0033 -0.0098 769 ASP 56 C -0.0051 0.0008 -0.0095 770 ASP 56 O -0.0061 -0.0029 -0.0091 771 ASP 56 CB -0.0026 0.0008 -0.0119 772 ASP 56 CG -0.0028 0.0022 -0.0115 773 ASP 56 OD1 -0.0047 0.0046 -0.0092 774 ASP 56 OD2 -0.0011 0.0009 -0.0135 775 ASP 56 H -0.0041 0.0095 -0.0089 776 ASP 56 HA -0.0063 0.0037 -0.0078 777 ASP 56 HB2 -0.0005 0.0010 -0.0140 778 ASP 56 HB3 -0.0035 -0.0022 -0.0116 779 SER 57 N 0.0005 0.0088 -0.0051 780 SER 57 CA 0.0028 0.0084 -0.0058 781 SER 57 C -0.0029 0.0090 -0.0037 782 SER 57 O -0.0083 0.0109 -0.0026 783 SER 57 CB 0.0060 0.0130 -0.0107 784 SER 57 OG 0.0018 0.0183 -0.0127 785 SER 57 H 0.0008 0.0118 -0.0074 786 SER 57 HA 0.0058 0.0048 -0.0045 787 SER 57 HB2 0.0077 0.0124 -0.0110 788 SER 57 HB3 0.0095 0.0128 -0.0121 789 SER 57 HG 0.0036 0.0208 -0.0154 790 LEU 58 N 0.0048 0.0065 0.0002 791 LEU 58 CA 0.0009 0.0067 0.0025 792 LEU 58 C 0.0002 0.0085 0.0028 793 LEU 58 O 0.0025 0.0081 0.0015 794 LEU 58 CB -0.0008 0.0023 0.0037 795 LEU 58 CG -0.0003 0.0001 0.0035 796 LEU 58 CD1 0.0017 -0.0042 0.0025 797 LEU 58 CD2 -0.0039 -0.0007 0.0057 798 LEU 58 H 0.0061 0.0053 -0.0005 799 LEU 58 HA -0.0003 0.0087 0.0031 800 LEU 58 HB2 0.0003 0.0004 0.0032 801 LEU 58 HB3 -0.0035 0.0026 0.0052 802 LEU 58 HG 0.0010 0.0020 0.0026 803 LEU 58 HD11 0.0020 -0.0056 0.0025 804 LEU 58 HD12 0.0042 -0.0036 0.0011 805 LEU 58 HD13 0.0004 -0.0059 0.0034 806 LEU 58 HD21 -0.0034 -0.0021 0.0054 807 LEU 58 HD22 -0.0054 -0.0025 0.0066 808 LEU 58 HD23 -0.0052 0.0020 0.0063 809 LYS 59 N -0.0077 0.0158 0.0057 810 LYS 59 CA -0.0044 0.0126 0.0048 811 LYS 59 C -0.0030 0.0113 0.0113 812 LYS 59 O -0.0058 0.0141 0.0154 813 LYS 59 CB -0.0063 0.0144 0.0009 814 LYS 59 CG -0.0068 0.0149 -0.0060 815 LYS 59 CD -0.0100 0.0180 -0.0093 816 LYS 59 CE -0.0109 0.0188 -0.0161 817 LYS 59 NZ -0.0081 0.0161 -0.0207 818 LYS 59 H -0.0101 0.0183 0.0074 819 LYS 59 HA -0.0018 0.0100 0.0026 820 LYS 59 HB2 -0.0092 0.0173 0.0026 821 LYS 59 HB3 -0.0042 0.0124 0.0012 822 LYS 59 HG2 -0.0039 0.0120 -0.0080 823 LYS 59 HG3 -0.0079 0.0160 -0.0064 824 LYS 59 HD2 -0.0129 0.0209 -0.0071 825 LYS 59 HD3 -0.0088 0.0168 -0.0095 826 LYS 59 HE2 -0.0102 0.0181 -0.0163 827 LYS 59 HE3 -0.0140 0.0219 -0.0171 828 LYS 59 HZ1 -0.0088 0.0167 -0.0206 829 LYS 59 HZ2 -0.0053 0.0132 -0.0198 830 LYS 59 HZ3 -0.0087 0.0166 -0.0245 831 VAL 60 N 0.0005 0.0095 0.0106 832 VAL 60 CA 0.0003 0.0088 0.0118 833 VAL 60 C 0.0005 0.0085 0.0119 834 VAL 60 O 0.0011 0.0080 0.0111 835 VAL 60 CB 0.0008 0.0078 0.0121 836 VAL 60 CG1 0.0006 0.0072 0.0134 837 VAL 60 CG2 0.0006 0.0082 0.0121 838 VAL 60 H 0.0009 0.0091 0.0100 839 VAL 60 HA -0.0002 0.0093 0.0124 840 VAL 60 HB 0.0013 0.0074 0.0116 841 VAL 60 HG11 0.0008 0.0067 0.0137 842 VAL 60 HG12 0.0009 0.0067 0.0133 843 VAL 60 HG13 0.0001 0.0077 0.0139 844 VAL 60 HG21 0.0008 0.0075 0.0124 845 VAL 60 HG22 0.0000 0.0087 0.0126 846 VAL 60 HG23 0.0008 0.0085 0.0113 847 PHE 61 N -0.0028 0.0072 0.0092 848 PHE 61 CA -0.0017 0.0056 0.0095 849 PHE 61 C -0.0002 0.0058 0.0108 850 PHE 61 O 0.0002 0.0071 0.0116 851 PHE 61 CB -0.0016 0.0052 0.0094 852 PHE 61 CG -0.0030 0.0050 0.0081 853 PHE 61 CD1 -0.0035 0.0035 0.0071 854 PHE 61 CD2 -0.0039 0.0063 0.0079 855 PHE 61 CE1 -0.0048 0.0033 0.0060 856 PHE 61 CE2 -0.0052 0.0061 0.0068 857 PHE 61 CZ -0.0057 0.0046 0.0058 858 PHE 61 H -0.0026 0.0081 0.0098 859 PHE 61 HA -0.0020 0.0047 0.0089 860 PHE 61 HB2 -0.0014 0.0061 0.0100 861 PHE 61 HB3 -0.0009 0.0041 0.0095 862 PHE 61 HD1 -0.0029 0.0026 0.0073 863 PHE 61 HD2 -0.0036 0.0073 0.0086 864 PHE 61 HE1 -0.0051 0.0023 0.0053 865 PHE 61 HE2 -0.0058 0.0070 0.0067 866 PHE 61 HZ -0.0065 0.0045 0.0050 867 SER 62 N -0.0027 0.0043 0.0043 868 SER 62 CA -0.0025 0.0047 0.0033 869 SER 62 C -0.0030 0.0038 0.0022 870 SER 62 O -0.0033 0.0033 0.0019 871 SER 62 CB -0.0019 0.0058 0.0027 872 SER 62 OG -0.0017 0.0062 0.0018 873 SER 62 H -0.0025 0.0047 0.0044 874 SER 62 HA -0.0025 0.0048 0.0037 875 SER 62 HB2 -0.0016 0.0063 0.0034 876 SER 62 HB3 -0.0020 0.0057 0.0024 877 SER 62 HG -0.0019 0.0059 0.0019 878 THR 63 N -0.0112 0.0183 -0.0068 879 THR 63 CA -0.0073 0.0158 -0.0085 880 THR 63 C -0.0059 0.0145 -0.0089 881 THR 63 O -0.0027 0.0120 -0.0100 882 THR 63 CB -0.0046 0.0185 -0.0114 883 THR 63 OG1 -0.0050 0.0224 -0.0128 884 THR 63 CG2 -0.0055 0.0196 -0.0113 885 THR 63 H -0.0114 0.0211 -0.0078 886 THR 63 HA -0.0071 0.0132 -0.0075 887 THR 63 HB -0.0020 0.0169 -0.0126 888 THR 63 HG1 -0.0037 0.0240 -0.0144 889 THR 63 HG21 -0.0038 0.0214 -0.0132 890 THR 63 HG22 -0.0052 0.0170 -0.0104 891 THR 63 HG23 -0.0082 0.0212 -0.0101 892 ASN 64 N -0.0011 0.0068 -0.0046 893 ASN 64 CA -0.0002 0.0048 -0.0038 894 ASN 64 C -0.0009 0.0017 -0.0025 895 ASN 64 O -0.0036 0.0009 -0.0023 896 ASN 64 CB -0.0020 0.0056 -0.0042 897 ASN 64 CG -0.0010 0.0039 -0.0034 898 ASN 64 OD1 0.0017 0.0039 -0.0033 899 ASN 64 ND2 -0.0032 0.0025 -0.0029 900 ASN 64 H -0.0030 0.0073 -0.0049 901 ASN 64 HA 0.0020 0.0050 -0.0038 902 ASN 64 HB2 -0.0017 0.0076 -0.0050 903 ASN 64 HB3 -0.0042 0.0051 -0.0041 904 ASN 64 HD21 -0.0028 0.0016 -0.0025 905 ASN 64 HD22 -0.0051 0.0026 -0.0031 906 ASN 64 N -0.0011 0.0068 -0.0047 907 ASN 64 CA -0.0000 0.0047 -0.0037 908 ASN 64 C -0.0008 0.0017 -0.0025 909 ASN 64 O -0.0034 0.0010 -0.0023 910 ASN 64 CB -0.0016 0.0052 -0.0040 911 ASN 64 CG -0.0004 0.0079 -0.0051 912 ASN 64 OD1 0.0023 0.0089 -0.0054 913 ASN 64 ND2 -0.0023 0.0091 -0.0057 914 ASN 64 H -0.0029 0.0075 -0.0050 915 ASN 64 HA 0.0022 0.0049 -0.0038 916 ASN 64 HB2 -0.0038 0.0054 -0.0042 917 ASN 64 HB3 -0.0011 0.0036 -0.0033 918 ASN 64 HD21 -0.0017 0.0107 -0.0063 919 ASN 64 HD22 -0.0041 0.0084 -0.0054 920 CYS 65 N -0.0025 0.0017 0.0014 921 CYS 65 CA -0.0027 0.0005 0.0020 922 CYS 65 C -0.0036 -0.0005 0.0022 923 CYS 65 O -0.0035 -0.0007 0.0023 924 CYS 65 CB -0.0013 0.0001 0.0027 925 CYS 65 SG -0.0013 -0.0013 0.0034 926 CYS 65 HA -0.0030 0.0007 0.0018 927 CYS 65 HB2 -0.0007 0.0007 0.0025 928 CYS 65 HB3 -0.0010 -0.0001 0.0029 929 CYS 65 H -0.0017 0.0019 0.0016 930 CYS 65 H -0.0018 0.0019 0.0016 931 PRO 66 N -0.0051 -0.0065 0.0053 932 PRO 66 CA -0.0042 -0.0058 0.0050 933 PRO 66 C -0.0046 -0.0049 0.0044 934 PRO 66 O -0.0039 -0.0045 0.0041 935 PRO 66 CB -0.0033 -0.0055 0.0048 936 PRO 66 CG -0.0040 -0.0056 0.0048 937 PRO 66 CD -0.0049 -0.0064 0.0053 938 PRO 66 HA -0.0038 -0.0063 0.0053 939 PRO 66 HB2 -0.0029 -0.0049 0.0044 940 PRO 66 HB3 -0.0026 -0.0060 0.0052 941 PRO 66 HG2 -0.0044 -0.0049 0.0044 942 PRO 66 HG3 -0.0035 -0.0056 0.0049 943 PRO 66 HD2 -0.0056 -0.0063 0.0052 944 PRO 66 HD3 -0.0045 -0.0071 0.0057 945 HIS 67 N -0.0060 0.0025 0.0051 946 HIS 67 CA -0.0049 0.0023 0.0031 947 HIS 67 C -0.0028 0.0027 0.0039 948 HIS 67 O -0.0008 0.0029 0.0034 949 HIS 67 CB -0.0068 0.0018 0.0020 950 HIS 67 CG -0.0058 0.0015 0.0000 951 HIS 67 ND1 -0.0062 0.0014 -0.0002 952 HIS 67 CD2 -0.0044 0.0013 -0.0018 953 HIS 67 CE1 -0.0052 0.0012 -0.0021 954 HIS 67 NE2 -0.0041 0.0011 -0.0031 955 HIS 67 H -0.0073 0.0025 0.0056 956 HIS 67 HA -0.0044 0.0021 0.0020 957 HIS 67 HB2 -0.0080 0.0015 0.0014 958 HIS 67 HB3 -0.0074 0.0019 0.0031 959 HIS 67 HD2 -0.0039 0.0014 -0.0022 960 HIS 67 HE1 -0.0053 0.0011 -0.0026 961 HIS 67 HE2 -0.0032 0.0010 -0.0043 962 LEU 68 N 0.0046 0.0046 0.0070 963 LEU 68 CA 0.0081 0.0023 0.0115 964 LEU 68 C 0.0060 -0.0006 0.0213 965 LEU 68 O 0.0059 -0.0022 0.0258 966 LEU 68 CB 0.0049 0.0042 0.0077 967 LEU 68 CG 0.0091 0.0065 -0.0013 968 LEU 68 CD1 0.0053 0.0084 -0.0045 969 LEU 68 CD2 0.0193 0.0046 -0.0015 970 LEU 68 H -0.0008 0.0050 0.0088 971 LEU 68 HA 0.0146 0.0014 0.0106 972 LEU 68 HB2 -0.0016 0.0056 0.0073 973 LEU 68 HB3 0.0064 0.0026 0.0115 974 LEU 68 HG 0.0076 0.0081 -0.0051 975 LEU 68 HD11 0.0080 0.0098 -0.0102 976 LEU 68 HD12 -0.0012 0.0097 -0.0048 977 LEU 68 HD13 0.0066 0.0067 -0.0005 978 LEU 68 HD21 0.0214 0.0060 -0.0069 979 LEU 68 HD22 0.0209 0.0026 0.0034 980 LEU 68 HD23 0.0218 0.0040 -0.0011 981 GLY 69 N 0.0020 0.0011 0.0034 982 GLY 69 CA 0.0020 0.0028 0.0013 983 GLY 69 C 0.0045 0.0041 0.0006 984 GLY 69 O 0.0046 0.0056 -0.0011 985 GLY 69 H 0.0018 0.0008 0.0037 986 GLY 69 HA2 0.0010 0.0032 0.0006 987 GLY 69 HA3 0.0012 0.0029 0.0010 988 CYS 70 N 0.0052 0.0020 0.0018 989 CYS 70 CA 0.0072 0.0036 0.0014 990 CYS 70 C 0.0068 0.0050 -0.0000 991 CYS 70 O 0.0051 0.0047 -0.0005 992 CYS 70 CB 0.0091 0.0029 0.0029 993 CYS 70 SG 0.0102 0.0016 0.0045 994 CYS 70 H 0.0053 0.0010 0.0027 995 CYS 70 HA 0.0076 0.0041 0.0012 996 CYS 70 HB2 0.0086 0.0022 0.0033 997 CYS 70 HB3 0.0102 0.0040 0.0025 998 GLY 71 N 0.0044 0.0044 -0.0090 999 GLY 71 CA 0.0024 0.0078 -0.0107 1000 GLY 71 C 0.0026 0.0049 -0.0093 1001 GLY 71 O 0.0069 0.0022 -0.0078 1002 GLY 71 H 0.0079 0.0053 -0.0092 1003 GLY 71 HA2 -0.0017 0.0088 -0.0114 1004 GLY 71 HA3 0.0049 0.0110 -0.0121 1005 ILE 72 N 0.0018 0.0024 -0.0055 1006 ILE 72 CA 0.0020 -0.0000 -0.0040 1007 ILE 72 C 0.0035 0.0004 -0.0052 1008 ILE 72 O 0.0027 0.0026 -0.0062 1009 ILE 72 CB -0.0011 -0.0002 -0.0020 1010 ILE 72 CG1 -0.0025 -0.0009 -0.0007 1011 ILE 72 CG2 -0.0009 -0.0024 -0.0006 1012 ILE 72 CD1 -0.0056 -0.0009 0.0012 1013 ILE 72 H 0.0002 0.0038 -0.0055 1014 ILE 72 HA 0.0032 -0.0017 -0.0036 1015 ILE 72 HB -0.0023 0.0016 -0.0025 1016 ILE 72 HG12 -0.0014 -0.0028 -0.0001 1017 ILE 72 HG13 -0.0024 0.0005 -0.0016 1018 ILE 72 HG21 -0.0028 -0.0027 0.0007 1019 ILE 72 HG22 -0.0004 -0.0017 -0.0014 1020 ILE 72 HG23 0.0005 -0.0042 -0.0003 1021 ILE 72 HD11 -0.0062 -0.0017 0.0021 1022 ILE 72 HD12 -0.0068 0.0011 0.0006 1023 ILE 72 HD13 -0.0058 -0.0020 0.0020 1024 ASP 73 N 0.0052 0.0008 -0.0065 1025 ASP 73 CA 0.0102 -0.0002 -0.0095 1026 ASP 73 C 0.0099 -0.0038 -0.0048 1027 ASP 73 O 0.0078 -0.0070 0.0009 1028 ASP 73 CB 0.0174 -0.0033 -0.0117 1029 ASP 73 CG 0.0184 0.0000 -0.0167 1030 ASP 73 OD1 0.0158 0.0052 -0.0209 1031 ASP 73 OD2 0.0219 -0.0026 -0.0164 1032 ASP 73 H 0.0064 -0.0020 -0.0040 1033 ASP 73 HA 0.0094 0.0033 -0.0132 1034 ASP 73 HB2 0.0181 -0.0068 -0.0080 1035 ASP 73 HB3 0.0208 -0.0042 -0.0135 1036 TRP 74 N 0.0096 -0.0054 -0.0002 1037 TRP 74 CA 0.0094 -0.0053 -0.0004 1038 TRP 74 C 0.0095 -0.0052 -0.0003 1039 TRP 74 O 0.0096 -0.0050 -0.0001 1040 TRP 74 CB 0.0091 -0.0051 -0.0004 1041 TRP 74 CG 0.0089 -0.0050 -0.0006 1042 TRP 74 CD1 0.0089 -0.0047 -0.0005 1043 TRP 74 CD2 0.0087 -0.0052 -0.0007 1044 TRP 74 NE1 0.0087 -0.0047 -0.0007 1045 TRP 74 CE2 0.0086 -0.0050 -0.0008 1046 TRP 74 CE3 0.0086 -0.0055 -0.0008 1047 TRP 74 CZ2 0.0083 -0.0051 -0.0010 1048 TRP 74 CZ3 0.0084 -0.0056 -0.0010 1049 TRP 74 CH2 0.0083 -0.0054 -0.0010 1050 TRP 74 H 0.0096 -0.0052 -0.0002 1051 TRP 74 HA 0.0093 -0.0055 -0.0004 1052 TRP 74 HB2 0.0091 -0.0052 -0.0005 1053 TRP 74 HB3 0.0092 -0.0049 -0.0004 1054 TRP 74 HD1 0.0090 -0.0045 -0.0004 1055 TRP 74 HE1 0.0086 -0.0045 -0.0007 1056 TRP 74 HE3 0.0087 -0.0056 -0.0008 1057 TRP 74 HZ2 0.0082 -0.0049 -0.0010 1058 TRP 74 HZ3 0.0084 -0.0058 -0.0010 1059 TRP 74 HH2 0.0081 -0.0055 -0.0012 1060 ALA 75 N 0.0166 -0.0045 0.0018 1061 ALA 75 CA 0.0161 -0.0034 0.0022 1062 ALA 75 C 0.0151 -0.0023 0.0014 1063 ALA 75 O 0.0147 -0.0025 -0.0000 1064 ALA 75 CB 0.0163 -0.0040 0.0019 1065 ALA 75 H 0.0166 -0.0050 0.0009 1066 ALA 75 HA 0.0162 -0.0031 0.0033 1067 ALA 75 HB1 0.0159 -0.0032 0.0021 1068 ALA 75 HB2 0.0169 -0.0047 0.0024 1069 ALA 75 HB3 0.0162 -0.0043 0.0008 1070 ASN 76 N 0.0044 0.0003 0.0142 1071 ASN 76 CA 0.0046 0.0021 0.0124 1072 ASN 76 C 0.0031 0.0060 0.0113 1073 ASN 76 O 0.0036 0.0077 0.0090 1074 ASN 76 CB 0.0036 0.0012 0.0146 1075 ASN 76 CG 0.0058 -0.0012 0.0134 1076 ASN 76 OD1 0.0074 -0.0006 0.0105 1077 ASN 76 ND2 0.0059 -0.0040 0.0158 1078 ASN 76 H 0.0035 -0.0005 0.0163 1079 ASN 76 HA 0.0063 0.0013 0.0105 1080 ASN 76 HB2 0.0028 0.0001 0.0168 1081 ASN 76 HB3 0.0025 0.0033 0.0145 1082 ASN 76 HD21 0.0048 -0.0044 0.0178 1083 ASN 76 HD22 0.0071 -0.0055 0.0152 1084 ASP 77 N -0.0096 0.0215 0.0299 1085 ASP 77 CA -0.0339 0.0010 0.0071 1086 ASP 77 C -0.0377 -0.0120 -0.0146 1087 ASP 77 O -0.0671 -0.0231 -0.0170 1088 ASP 77 CB -0.0244 -0.0059 -0.0115 1089 ASP 77 CG 0.0126 -0.0035 -0.0298 1090 ASP 77 OD1 0.0344 0.0043 -0.0287 1091 ASP 77 OD2 0.0205 -0.0098 -0.0462 1092 ASP 77 H 0.0104 0.0257 0.0254 1093 ASP 77 HA -0.0570 -0.0001 0.0192 1094 ASP 77 HB2 -0.0402 -0.0197 -0.0272 1095 ASP 77 HB3 -0.0271 0.0015 0.0038 1096 VAL 78 N 0.0073 0.0158 0.0013 1097 VAL 78 CA 0.0134 0.0213 -0.0050 1098 VAL 78 C 0.0229 0.0149 -0.0111 1099 VAL 78 O 0.0289 0.0190 -0.0170 1100 VAL 78 CB 0.0095 0.0234 -0.0024 1101 VAL 78 CG1 0.0008 0.0314 0.0026 1102 VAL 78 CG2 0.0082 0.0124 0.0014 1103 VAL 78 H 0.0045 0.0112 0.0048 1104 VAL 78 HA 0.0138 0.0286 -0.0072 1105 VAL 78 HB 0.0138 0.0269 -0.0068 1106 VAL 78 HG11 -0.0013 0.0327 0.0040 1107 VAL 78 HG12 0.0018 0.0385 -0.0000 1108 VAL 78 HG13 -0.0036 0.0282 0.0070 1109 VAL 78 HG21 0.0066 0.0139 0.0024 1110 VAL 78 HG22 0.0035 0.0094 0.0061 1111 VAL 78 HG23 0.0138 0.0072 -0.0018 1112 SER 79 N 0.0164 0.0068 -0.0003 1113 SER 79 CA 0.0164 0.0050 -0.0033 1114 SER 79 C 0.0151 0.0029 -0.0030 1115 SER 79 O 0.0156 0.0028 -0.0047 1116 SER 79 CB 0.0182 0.0069 -0.0060 1117 SER 79 OG 0.0191 0.0083 -0.0067 1118 SER 79 H 0.0162 0.0068 0.0003 1119 SER 79 HA 0.0159 0.0039 -0.0039 1120 SER 79 HB2 0.0187 0.0084 -0.0053 1121 SER 79 HB3 0.0181 0.0056 -0.0078 1122 SER 79 HG 0.0201 0.0093 -0.0082 1123 ARG 80 N 0.0096 -0.0051 -0.0050 1124 ARG 80 CA 0.0087 -0.0067 -0.0046 1125 ARG 80 C 0.0081 -0.0077 -0.0044 1126 ARG 80 O 0.0085 -0.0072 -0.0038 1127 ARG 80 CB 0.0087 -0.0069 -0.0029 1128 ARG 80 CG 0.0094 -0.0059 -0.0029 1129 ARG 80 CD 0.0090 -0.0063 -0.0043 1130 ARG 80 NE 0.0095 -0.0056 -0.0038 1131 ARG 80 CZ 0.0095 -0.0054 -0.0050 1132 ARG 80 NH1 0.0090 -0.0058 -0.0066 1133 ARG 80 NH2 0.0099 -0.0047 -0.0044 1134 ARG 80 H 0.0099 -0.0048 -0.0043 1135 ARG 80 HA 0.0084 -0.0070 -0.0057 1136 ARG 80 HB2 0.0090 -0.0067 -0.0019 1137 ARG 80 HB3 0.0081 -0.0080 -0.0028 1138 ARG 80 HG2 0.0100 -0.0048 -0.0031 1139 ARG 80 HG3 0.0094 -0.0060 -0.0017 1140 ARG 80 HD2 0.0083 -0.0074 -0.0043 1141 ARG 80 HD3 0.0091 -0.0059 -0.0055 1142 ARG 80 HE 0.0098 -0.0052 -0.0028 1143 ARG 80 HH11 0.0087 -0.0063 -0.0070 1144 ARG 80 HH12 0.0090 -0.0057 -0.0074 1145 ARG 80 HH21 0.0102 -0.0044 -0.0033 1146 ARG 80 HH22 0.0099 -0.0046 -0.0051 1147 PHE 81 N 0.0013 -0.0096 0.0023 1148 PHE 81 CA 0.0027 -0.0079 0.0016 1149 PHE 81 C 0.0046 -0.0095 0.0009 1150 PHE 81 O 0.0041 -0.0115 0.0012 1151 PHE 81 CB 0.0012 -0.0065 0.0023 1152 PHE 81 CG -0.0004 -0.0045 0.0029 1153 PHE 81 CD1 0.0006 -0.0023 0.0023 1154 PHE 81 CD2 -0.0027 -0.0047 0.0039 1155 PHE 81 CE1 -0.0008 -0.0004 0.0029 1156 PHE 81 CE2 -0.0041 -0.0028 0.0045 1157 PHE 81 CZ -0.0032 -0.0006 0.0040 1158 PHE 81 H 0.0000 -0.0100 0.0029 1159 PHE 81 HA 0.0035 -0.0067 0.0012 1160 PHE 81 HB2 0.0002 -0.0077 0.0028 1161 PHE 81 HB3 0.0022 -0.0056 0.0018 1162 PHE 81 HD1 0.0022 -0.0021 0.0016 1163 PHE 81 HD2 -0.0034 -0.0062 0.0043 1164 PHE 81 HE1 -0.0001 0.0011 0.0025 1165 PHE 81 HE2 -0.0058 -0.0030 0.0052 1166 PHE 81 HZ -0.0041 0.0007 0.0043 1167 LEU 82 N 0.0021 -0.0060 0.0002 1168 LEU 82 CA 0.0041 -0.0079 0.0024 1169 LEU 82 C 0.0039 -0.0080 0.0023 1170 LEU 82 O 0.0042 -0.0057 0.0009 1171 LEU 82 CB 0.0077 -0.0069 0.0031 1172 LEU 82 CG 0.0086 -0.0065 0.0031 1173 LEU 82 CD1 0.0123 -0.0056 0.0040 1174 LEU 82 CD2 0.0073 -0.0092 0.0046 1175 LEU 82 H 0.0027 -0.0043 -0.0008 1176 LEU 82 HA 0.0033 -0.0098 0.0034 1177 LEU 82 HB2 0.0085 -0.0050 0.0021 1178 LEU 82 HB3 0.0089 -0.0083 0.0045 1179 LEU 82 HG 0.0076 -0.0050 0.0017 1180 LEU 82 HD11 0.0128 -0.0053 0.0040 1181 LEU 82 HD12 0.0131 -0.0038 0.0031 1182 LEU 82 HD13 0.0133 -0.0071 0.0055 1183 LEU 82 HD21 0.0080 -0.0089 0.0046 1184 LEU 82 HD22 0.0081 -0.0108 0.0060 1185 LEU 82 HD23 0.0049 -0.0096 0.0039 1186 CYS 83 N -0.0000 -0.0026 0.0050 1187 CYS 83 CA -0.0001 -0.0015 0.0041 1188 CYS 83 C 0.0014 -0.0023 0.0038 1189 CYS 83 O 0.0015 -0.0035 0.0048 1190 CYS 83 CB -0.0018 -0.0010 0.0049 1191 CYS 83 SG -0.0018 0.0003 0.0037 1192 CYS 83 H -0.0002 -0.0034 0.0059 1193 CYS 83 HA -0.0001 -0.0005 0.0032 1194 CYS 83 HB2 -0.0028 -0.0005 0.0051 1195 CYS 83 HB3 -0.0019 -0.0020 0.0058 1196 PRO 84 N 0.0084 0.0012 0.0047 1197 PRO 84 CA 0.0108 0.0001 0.0051 1198 PRO 84 C 0.0059 0.0022 0.0066 1199 PRO 84 O 0.0075 0.0014 0.0076 1200 PRO 84 CB 0.0136 -0.0006 -0.0019 1201 PRO 84 CG 0.0100 0.0013 -0.0063 1202 PRO 84 CD 0.0083 0.0017 -0.0022 1203 PRO 84 HA 0.0139 -0.0015 0.0084 1204 PRO 84 HB2 0.0132 -0.0003 -0.0032 1205 PRO 84 HB3 0.0179 -0.0025 -0.0020 1206 PRO 84 HG2 0.0064 0.0030 -0.0076 1207 PRO 84 HG3 0.0125 0.0005 -0.0101 1208 PRO 84 HD2 0.0043 0.0036 -0.0032 1209 PRO 84 HD3 0.0113 0.0005 -0.0029 1210 CYS 85 N 0.0033 0.0091 0.0083 1211 CYS 85 CA 0.0036 0.0090 0.0083 1212 CYS 85 C 0.0036 0.0087 0.0080 1213 CYS 85 O 0.0038 0.0085 0.0079 1214 CYS 85 CB 0.0038 0.0090 0.0083 1215 CYS 85 SG 0.0039 0.0093 0.0087 1216 CYS 85 H 0.0032 0.0092 0.0083 1217 CYS 85 HA 0.0038 0.0090 0.0084 1218 CYS 85 HB2 0.0036 0.0090 0.0083 1219 CYS 85 HB3 0.0039 0.0088 0.0082 1220 HIS 86 N 0.0023 0.0145 0.0069 1221 HIS 86 CA 0.0016 0.0069 0.0032 1222 HIS 86 C -0.0062 0.0052 0.0016 1223 HIS 86 O -0.0093 -0.0003 -0.0014 1224 HIS 86 CB 0.0028 0.0033 0.0015 1225 HIS 86 CG 0.0096 0.0057 0.0034 1226 HIS 86 ND1 0.0089 0.0110 0.0058 1227 HIS 86 CD2 0.0172 0.0038 0.0032 1228 HIS 86 CE1 0.0159 0.0121 0.0070 1229 HIS 86 NE2 0.0210 0.0079 0.0055 1230 HIS 86 H -0.0018 0.0168 0.0076 1231 HIS 86 HA 0.0056 0.0051 0.0027 1232 HIS 86 HB2 -0.0018 0.0042 0.0015 1233 HIS 86 HB3 0.0035 -0.0017 -0.0008 1234 HIS 86 HD2 0.0194 0.0004 0.0018 1235 HIS 86 HE1 0.0171 0.0154 0.0087 1236 HIS 86 HE2 0.0259 0.0077 0.0059 1237 GLU 87 N -0.0038 0.0017 0.0037 1238 GLU 87 CA -0.0069 0.0019 0.0026 1239 GLU 87 C -0.0125 0.0012 0.0006 1240 GLU 87 O -0.0153 -0.0013 -0.0006 1241 GLU 87 CB -0.0051 -0.0022 0.0030 1242 GLU 87 CG 0.0004 -0.0016 0.0050 1243 GLU 87 CD 0.0020 -0.0053 0.0054 1244 GLU 87 OE1 -0.0008 -0.0056 0.0044 1245 GLU 87 OE2 0.0061 -0.0079 0.0067 1246 GLU 87 H -0.0023 0.0046 0.0044 1247 GLU 87 HA -0.0066 0.0054 0.0029 1248 GLU 87 HB2 -0.0054 -0.0058 0.0027 1249 GLU 87 HB3 -0.0072 -0.0018 0.0023 1250 GLU 87 HG2 0.0009 0.0021 0.0054 1251 GLU 87 HG3 0.0026 -0.0025 0.0058 1252 GLY 88 N -0.0118 -0.0034 0.0043 1253 GLY 88 CA -0.0122 -0.0033 0.0052 1254 GLY 88 C -0.0118 -0.0039 0.0054 1255 GLY 88 O -0.0114 -0.0041 0.0047 1256 GLY 88 H -0.0118 -0.0030 0.0038 1257 GLY 88 HA2 -0.0123 -0.0034 0.0058 1258 GLY 88 HA3 -0.0125 -0.0027 0.0050 1259 VAL 89 N -0.0121 -0.0104 0.0038 1260 VAL 89 CA -0.0099 -0.0112 0.0034 1261 VAL 89 C -0.0080 -0.0114 0.0033 1262 VAL 89 O -0.0077 -0.0099 0.0041 1263 VAL 89 CB -0.0089 -0.0097 0.0042 1264 VAL 89 CG1 -0.0067 -0.0106 0.0036 1265 VAL 89 CG2 -0.0108 -0.0093 0.0044 1266 VAL 89 H -0.0119 -0.0094 0.0044 1267 VAL 89 HA -0.0102 -0.0126 0.0026 1268 VAL 89 HB -0.0085 -0.0084 0.0049 1269 VAL 89 HG11 -0.0063 -0.0098 0.0041 1270 VAL 89 HG12 -0.0054 -0.0106 0.0037 1271 VAL 89 HG13 -0.0070 -0.0121 0.0029 1272 VAL 89 HG21 -0.0101 -0.0084 0.0049 1273 VAL 89 HG22 -0.0113 -0.0106 0.0037 1274 VAL 89 HG23 -0.0122 -0.0086 0.0048 1275 PHE 90 N -0.0046 -0.0122 0.0032 1276 PHE 90 CA -0.0032 -0.0124 0.0033 1277 PHE 90 C -0.0017 -0.0133 0.0032 1278 PHE 90 O -0.0019 -0.0143 0.0026 1279 PHE 90 CB -0.0037 -0.0134 0.0027 1280 PHE 90 CG -0.0055 -0.0128 0.0027 1281 PHE 90 CD1 -0.0070 -0.0133 0.0022 1282 PHE 90 CD2 -0.0056 -0.0118 0.0032 1283 PHE 90 CE1 -0.0086 -0.0127 0.0021 1284 PHE 90 CE2 -0.0072 -0.0112 0.0032 1285 PHE 90 CZ -0.0086 -0.0117 0.0027 1286 PHE 90 H -0.0048 -0.0130 0.0027 1287 PHE 90 HA -0.0029 -0.0114 0.0039 1288 PHE 90 HB2 -0.0038 -0.0144 0.0021 1289 PHE 90 HB3 -0.0029 -0.0133 0.0029 1290 PHE 90 HD1 -0.0069 -0.0140 0.0018 1291 PHE 90 HD2 -0.0046 -0.0114 0.0036 1292 PHE 90 HE1 -0.0096 -0.0131 0.0018 1293 PHE 90 HE2 -0.0072 -0.0105 0.0035 1294 PHE 90 HZ -0.0097 -0.0113 0.0026 1295 ASP 91 N 0.0038 -0.0112 0.0007 1296 ASP 91 CA 0.0043 -0.0108 0.0001 1297 ASP 91 C 0.0043 -0.0114 -0.0005 1298 ASP 91 O 0.0040 -0.0121 -0.0004 1299 ASP 91 CB 0.0047 -0.0103 -0.0003 1300 ASP 91 CG 0.0048 -0.0108 -0.0010 1301 ASP 91 OD1 0.0047 -0.0115 -0.0012 1302 ASP 91 OD2 0.0051 -0.0104 -0.0012 1303 ASP 91 H 0.0038 -0.0113 0.0006 1304 ASP 91 HA 0.0043 -0.0103 0.0004 1305 ASP 91 HB2 0.0050 -0.0099 -0.0006 1306 ASP 91 HB3 0.0046 -0.0099 0.0001 1307 VAL 92 N -0.0026 -0.0004 -0.0030 1308 VAL 92 CA -0.0033 0.0031 -0.0014 1309 VAL 92 C -0.0044 0.0016 -0.0031 1310 VAL 92 O -0.0043 0.0039 -0.0017 1311 VAL 92 CB -0.0066 0.0074 -0.0013 1312 VAL 92 CG1 -0.0109 0.0069 -0.0049 1313 VAL 92 CG2 -0.0065 0.0115 0.0013 1314 VAL 92 H -0.0045 0.0002 -0.0041 1315 VAL 92 HA -0.0008 0.0039 0.0010 1316 VAL 92 HB -0.0059 0.0078 -0.0005 1317 VAL 92 HG11 -0.0128 0.0093 -0.0049 1318 VAL 92 HG12 -0.0108 0.0041 -0.0066 1319 VAL 92 HG13 -0.0117 0.0070 -0.0055 1320 VAL 92 HG21 -0.0086 0.0141 0.0013 1321 VAL 92 HG22 -0.0071 0.0112 0.0006 1322 VAL 92 HG23 -0.0038 0.0119 0.0036 1323 ASN 93 N -0.0041 0.0111 -0.0013 1324 ASN 93 CA -0.0017 0.0007 -0.0096 1325 ASN 93 C 0.0072 -0.0129 -0.0050 1326 ASN 93 O 0.0097 -0.0228 -0.0123 1327 ASN 93 CB -0.0071 -0.0005 -0.0252 1328 ASN 93 CG -0.0160 0.0119 -0.0311 1329 ASN 93 OD1 -0.0179 0.0180 -0.0276 1330 ASN 93 ND2 -0.0215 0.0159 -0.0399 1331 ASN 93 H -0.0056 0.0115 -0.0046 1332 ASN 93 HA -0.0026 0.0032 -0.0084 1333 ASN 93 HB2 -0.0067 -0.0019 -0.0263 1334 ASN 93 HB3 -0.0052 -0.0079 -0.0306 1335 ASN 93 HD21 -0.0199 0.0115 -0.0419 1336 ASN 93 HD22 -0.0266 0.0229 -0.0435 1337 GLY 94 N 0.0018 -0.0102 0.0008 1338 GLY 94 CA 0.0029 -0.0131 0.0023 1339 GLY 94 C 0.0032 -0.0153 0.0020 1340 GLY 94 O 0.0041 -0.0179 0.0033 1341 GLY 94 H 0.0020 -0.0086 0.0019 1342 GLY 94 HA2 0.0037 -0.0125 0.0043 1343 GLY 94 HA3 0.0028 -0.0142 0.0015 1344 LYS 95 N 0.0122 -0.0291 -0.0043 1345 LYS 95 CA 0.0113 -0.0181 -0.0013 1346 LYS 95 C 0.0005 -0.0127 0.0023 1347 LYS 95 O -0.0020 -0.0127 0.0028 1348 LYS 95 CB 0.0218 -0.0104 -0.0014 1349 LYS 95 CG 0.0218 0.0010 0.0015 1350 LYS 95 CD 0.0301 0.0098 0.0021 1351 LYS 95 CE 0.0289 0.0216 0.0054 1352 LYS 95 NZ 0.0191 0.0225 0.0076 1353 LYS 95 H 0.0169 -0.0291 -0.0053 1354 LYS 95 HA 0.0109 -0.0192 -0.0015 1355 LYS 95 HB2 0.0286 -0.0142 -0.0037 1356 LYS 95 HB3 0.0220 -0.0090 -0.0011 1357 LYS 95 HG2 0.0142 0.0038 0.0038 1358 LYS 95 HG3 0.0241 0.0000 0.0008 1359 LYS 95 HD2 0.0379 0.0076 -0.0000 1360 LYS 95 HD3 0.0286 0.0101 0.0025 1361 LYS 95 HE2 0.0359 0.0238 0.0046 1362 LYS 95 HE3 0.0278 0.0269 0.0070 1363 LYS 95 HZ1 0.0125 0.0207 0.0085 1364 LYS 95 HZ2 0.0189 0.0295 0.0095 1365 LYS 95 HZ3 0.0199 0.0178 0.0063 1366 THR 96 N 0.0030 -0.0066 0.0025 1367 THR 96 CA -0.0021 -0.0040 0.0015 1368 THR 96 C -0.0015 -0.0002 0.0015 1369 THR 96 O 0.0021 0.0033 0.0020 1370 THR 96 CB -0.0039 -0.0004 0.0010 1371 THR 96 OG1 -0.0031 -0.0033 0.0013 1372 THR 96 CG2 -0.0099 0.0009 -0.0001 1373 THR 96 H 0.0046 -0.0055 0.0028 1374 THR 96 HA -0.0047 -0.0068 0.0011 1375 THR 96 HB -0.0019 0.0030 0.0013 1376 THR 96 HG1 -0.0041 -0.0014 0.0010 1377 THR 96 HG21 -0.0115 0.0016 -0.0005 1378 THR 96 HG22 -0.0102 0.0041 -0.0003 1379 THR 96 HG23 -0.0117 -0.0022 -0.0004 1380 ILE 97 N -0.0024 -0.0015 0.0002 1381 ILE 97 CA -0.0018 0.0019 0.0008 1382 ILE 97 C -0.0073 0.0051 -0.0005 1383 ILE 97 O -0.0070 0.0090 -0.0000 1384 ILE 97 CB 0.0008 -0.0019 0.0011 1385 ILE 97 CG1 -0.0031 -0.0070 -0.0006 1386 ILE 97 CG2 0.0067 -0.0045 0.0026 1387 ILE 97 CD1 -0.0008 -0.0107 -0.0003 1388 ILE 97 H -0.0049 -0.0043 -0.0008 1389 ILE 97 HA 0.0010 0.0050 0.0019 1390 ILE 97 HB 0.0012 0.0006 0.0015 1391 ILE 97 HG12 -0.0034 -0.0096 -0.0010 1392 ILE 97 HG13 -0.0068 -0.0053 -0.0015 1393 ILE 97 HG21 0.0086 -0.0063 0.0030 1394 ILE 97 HG22 0.0089 -0.0013 0.0036 1395 ILE 97 HG23 0.0061 -0.0075 0.0021 1396 ILE 97 HD11 -0.0038 -0.0134 -0.0015 1397 ILE 97 HD12 0.0001 -0.0080 0.0003 1398 ILE 97 HD13 0.0026 -0.0129 0.0005 1399 SER 98 N -0.0105 0.0021 -0.0038 1400 SER 98 C -0.0153 0.0039 -0.0063 1401 SER 98 O -0.0138 -0.0000 -0.0032 1402 SER 98 CA -0.0148 0.0051 -0.0070 1403 SER 98 CB -0.0209 0.0044 -0.0081 1404 SER 98 OG -0.0243 -0.0003 -0.0056 1405 SER 98 H -0.0098 -0.0004 -0.0018 1406 SER 98 HA -0.0132 0.0087 -0.0091 1407 SER 98 HB2 -0.0231 0.0071 -0.0105 1408 SER 98 HB3 -0.0202 0.0046 -0.0080 1409 SER 98 HG -0.0251 -0.0005 -0.0057 1410 SER 98 CA -0.0150 0.0049 -0.0069 1411 SER 98 CB -0.0212 0.0033 -0.0074 1412 SER 98 OG -0.0252 0.0068 -0.0108 1413 SER 98 H -0.0097 -0.0003 -0.0019 1414 SER 98 HA -0.0139 0.0085 -0.0091 1415 SER 98 HB2 -0.0207 0.0032 -0.0071 1416 SER 98 HB3 -0.0228 -0.0000 -0.0055 1417 SER 98 HG -0.0250 0.0075 -0.0113 1418 GLY 99 N -0.0197 0.0008 -0.0049 1419 GLY 99 CA -0.0198 -0.0001 -0.0041 1420 GLY 99 C -0.0173 -0.0001 -0.0046 1421 GLY 99 O -0.0155 0.0007 -0.0056 1422 GLY 99 H -0.0202 0.0021 -0.0058 1423 GLY 99 HA2 -0.0212 0.0006 -0.0044 1424 GLY 99 HA3 -0.0201 -0.0015 -0.0029 1425 PRO 100 N -0.0188 -0.0015 -0.0064 1426 PRO 100 CA -0.0140 -0.0007 -0.0079 1427 PRO 100 C -0.0119 0.0009 -0.0040 1428 PRO 100 O -0.0076 0.0017 -0.0049 1429 PRO 100 CB -0.0104 -0.0001 -0.0090 1430 PRO 100 CG -0.0122 0.0004 -0.0053 1431 PRO 100 CD -0.0180 -0.0010 -0.0052 1432 PRO 100 HA -0.0144 -0.0017 -0.0110 1433 PRO 100 HB2 -0.0069 0.0009 -0.0084 1434 PRO 100 HB3 -0.0105 -0.0012 -0.0124 1435 PRO 100 HG2 -0.0110 0.0017 -0.0020 1436 PRO 100 HG3 -0.0111 0.0004 -0.0066 1437 PRO 100 HD2 -0.0195 -0.0004 -0.0018 1438 PRO 100 HD3 -0.0194 -0.0020 -0.0077 1439 ALA 101 N -0.0148 0.0048 -0.0034 1440 ALA 101 CA -0.0114 0.0033 -0.0015 1441 ALA 101 C -0.0075 0.0059 -0.0018 1442 ALA 101 O -0.0069 0.0074 -0.0024 1443 ALA 101 CB -0.0110 -0.0004 0.0007 1444 ALA 101 H -0.0161 0.0035 -0.0031 1445 ALA 101 HA -0.0118 0.0030 -0.0015 1446 ALA 101 HB1 -0.0087 -0.0013 0.0019 1447 ALA 101 HB2 -0.0134 -0.0021 0.0009 1448 ALA 101 HB3 -0.0106 -0.0002 0.0007 1449 PRO 102 N -0.0047 0.0140 0.0014 1450 PRO 102 CA 0.0032 0.0193 0.0005 1451 PRO 102 C 0.0136 0.0151 -0.0010 1452 PRO 102 O 0.0207 0.0191 -0.0018 1453 PRO 102 CB 0.0001 0.0176 0.0009 1454 PRO 102 CG -0.0046 0.0073 0.0011 1455 PRO 102 CD -0.0105 0.0072 0.0018 1456 PRO 102 HA 0.0031 0.0264 0.0009 1457 PRO 102 HB2 0.0059 0.0177 0.0001 1458 PRO 102 HB3 -0.0047 0.0226 0.0017 1459 PRO 102 HG2 0.0005 0.0022 0.0002 1460 PRO 102 HG3 -0.0089 0.0062 0.0016 1461 PRO 102 HD2 -0.0109 0.0005 0.0016 1462 PRO 102 HD3 -0.0172 0.0098 0.0028 1463 ARG 103 N 0.0059 0.0056 -0.0042 1464 ARG 103 CA 0.0105 0.0038 -0.0075 1465 ARG 103 C 0.0075 0.0039 -0.0050 1466 ARG 103 O 0.0022 0.0044 -0.0006 1467 ARG 103 CB 0.0146 -0.0034 -0.0081 1468 ARG 103 CG 0.0116 -0.0093 -0.0030 1469 ARG 103 CD 0.0155 -0.0165 -0.0035 1470 ARG 103 NE 0.0166 -0.0168 -0.0043 1471 ARG 103 CZ 0.0210 -0.0214 -0.0062 1472 ARG 103 NH1 0.0247 -0.0263 -0.0074 1473 ARG 103 NH2 0.0215 -0.0212 -0.0068 1474 ARG 103 H 0.0026 0.0050 -0.0012 1475 ARG 103 HA 0.0127 0.0074 -0.0109 1476 ARG 103 HB2 0.0172 -0.0047 -0.0098 1477 ARG 103 HB3 0.0169 -0.0030 -0.0102 1478 ARG 103 HG2 0.0106 -0.0095 -0.0021 1479 ARG 103 HG3 0.0081 -0.0085 -0.0004 1480 ARG 103 HD2 0.0192 -0.0172 -0.0064 1481 ARG 103 HD3 0.0137 -0.0202 -0.0003 1482 ARG 103 HE 0.0142 -0.0138 -0.0035 1483 ARG 103 HH11 0.0243 -0.0266 -0.0070 1484 ARG 103 HH12 0.0276 -0.0292 -0.0087 1485 ARG 103 HH21 0.0190 -0.0181 -0.0059 1486 ARG 103 HH22 0.0244 -0.0241 -0.0080 1487 GLY 104 N 0.0060 -0.0036 -0.0008 1488 GLY 104 CA 0.0038 -0.0080 0.0009 1489 GLY 104 C 0.0036 -0.0112 0.0028 1490 GLY 104 O 0.0051 -0.0102 0.0029 1491 GLY 104 H 0.0088 -0.0028 0.0001 1492 GLY 104 HA2 0.0006 -0.0080 -0.0006 1493 GLY 104 HA3 0.0054 -0.0088 0.0022 1494 MET 105 N -0.0014 -0.0078 0.0023 1495 MET 105 CA -0.0007 -0.0066 0.0036 1496 MET 105 C -0.0006 -0.0061 0.0042 1497 MET 105 O -0.0015 -0.0064 0.0038 1498 MET 105 CB -0.0018 -0.0058 0.0044 1499 MET 105 CG -0.0015 -0.0062 0.0041 1500 MET 105 SD -0.0031 -0.0055 0.0046 1501 MET 105 CE -0.0028 -0.0040 0.0063 1502 MET 105 H -0.0023 -0.0078 0.0022 1503 MET 105 HA 0.0004 -0.0067 0.0037 1504 MET 105 HB2 -0.0030 -0.0059 0.0043 1505 MET 105 HB3 -0.0015 -0.0050 0.0053 1506 MET 105 HG2 -0.0004 -0.0059 0.0044 1507 MET 105 HG3 -0.0016 -0.0070 0.0032 1508 MET 105 HE1 -0.0035 -0.0036 0.0067 1509 MET 105 HE2 -0.0030 -0.0038 0.0065 1510 MET 105 HE3 -0.0016 -0.0039 0.0065 1511 TYR 106 N 0.0012 -0.0040 0.0054 1512 TYR 106 CA 0.0033 -0.0046 0.0064 1513 TYR 106 C 0.0027 -0.0052 0.0080 1514 TYR 106 O 0.0012 -0.0056 0.0093 1515 TYR 106 CB 0.0043 -0.0051 0.0075 1516 TYR 106 CG 0.0048 -0.0046 0.0061 1517 TYR 106 CD1 0.0067 -0.0041 0.0047 1518 TYR 106 CD2 0.0036 -0.0046 0.0063 1519 TYR 106 CE1 0.0072 -0.0037 0.0034 1520 TYR 106 CE2 0.0041 -0.0041 0.0050 1521 TYR 106 CZ 0.0060 -0.0036 0.0036 1522 TYR 106 OH 0.0065 -0.0032 0.0024 1523 TYR 106 H 0.0006 -0.0042 0.0058 1524 TYR 106 HA 0.0044 -0.0042 0.0053 1525 TYR 106 HB2 0.0032 -0.0055 0.0086 1526 TYR 106 HB3 0.0057 -0.0055 0.0082 1527 TYR 106 HD1 0.0076 -0.0042 0.0046 1528 TYR 106 HD2 0.0024 -0.0049 0.0072 1529 TYR 106 HE1 0.0085 -0.0034 0.0025 1530 TYR 106 HE2 0.0033 -0.0041 0.0051 1531 TYR 106 HH 0.0067 -0.0027 0.0011 1532 SER 107 N 0.0070 -0.0078 0.0114 1533 SER 107 CA 0.0055 -0.0065 0.0116 1534 SER 107 C 0.0062 -0.0068 0.0122 1535 SER 107 O 0.0071 -0.0080 0.0112 1536 SER 107 CB 0.0039 -0.0063 0.0095 1537 SER 107 OG 0.0045 -0.0076 0.0079 1538 SER 107 H 0.0075 -0.0087 0.0104 1539 SER 107 HA 0.0050 -0.0056 0.0127 1540 SER 107 HB2 0.0029 -0.0054 0.0097 1541 SER 107 HB3 0.0035 -0.0061 0.0091 1542 SER 107 HG 0.0048 -0.0077 0.0081 1543 SER 107 N 0.0070 -0.0078 0.0114 1544 SER 107 CA 0.0055 -0.0066 0.0114 1545 SER 107 C 0.0064 -0.0068 0.0123 1546 SER 107 O 0.0076 -0.0081 0.0117 1547 SER 107 CB 0.0042 -0.0067 0.0092 1548 SER 107 OG 0.0027 -0.0055 0.0092 1549 SER 107 H 0.0075 -0.0087 0.0104 1550 SER 107 HA 0.0048 -0.0056 0.0124 1551 SER 107 HB2 0.0037 -0.0066 0.0086 1552 SER 107 HB3 0.0049 -0.0077 0.0083 1553 SER 107 HG 0.0030 -0.0056 0.0096 1554 TYR 108 N 0.0070 -0.0009 0.0111 1555 TYR 108 CA 0.0070 0.0000 0.0117 1556 TYR 108 C 0.0071 -0.0004 0.0136 1557 TYR 108 O 0.0071 -0.0019 0.0141 1558 TYR 108 CB 0.0069 -0.0005 0.0106 1559 TYR 108 CG 0.0068 0.0002 0.0088 1560 TYR 108 CD1 0.0068 -0.0003 0.0074 1561 TYR 108 CD2 0.0068 0.0014 0.0084 1562 TYR 108 CE1 0.0067 0.0005 0.0058 1563 TYR 108 CE2 0.0067 0.0022 0.0067 1564 TYR 108 CZ 0.0067 0.0017 0.0054 1565 TYR 108 OH 0.0066 0.0024 0.0038 1566 TYR 108 H 0.0070 -0.0020 0.0108 1567 TYR 108 HA 0.0069 0.0013 0.0115 1568 TYR 108 HB2 0.0070 -0.0018 0.0105 1569 TYR 108 HB3 0.0070 -0.0001 0.0112 1570 TYR 108 HD1 0.0068 -0.0011 0.0077 1571 TYR 108 HD2 0.0068 0.0017 0.0092 1572 TYR 108 HE1 0.0067 0.0001 0.0049 1573 TYR 108 HE2 0.0067 0.0030 0.0064 1574 TYR 108 HH 0.0066 0.0025 0.0035 1575 ARG 109 N 0.0117 -0.0235 0.0136 1576 ARG 109 CA 0.0034 -0.0193 0.0098 1577 ARG 109 C 0.0064 -0.0094 0.0066 1578 ARG 109 O 0.0109 -0.0046 0.0059 1579 ARG 109 CB -0.0042 -0.0205 0.0082 1580 ARG 109 CG -0.0129 -0.0162 0.0043 1581 ARG 109 CD -0.0201 -0.0180 0.0031 1582 ARG 109 NE -0.0290 -0.0144 -0.0006 1583 ARG 109 CZ -0.0339 -0.0098 -0.0037 1584 ARG 109 NH1 -0.0311 -0.0081 -0.0037 1585 ARG 109 NH2 -0.0420 -0.0069 -0.0070 1586 ARG 109 H 0.0110 -0.0257 0.0143 1587 ARG 109 HA 0.0008 -0.0221 0.0102 1588 ARG 109 HB2 -0.0060 -0.0269 0.0103 1589 ARG 109 HB3 -0.0017 -0.0178 0.0078 1590 ARG 109 HG2 -0.0115 -0.0097 0.0021 1591 ARG 109 HG3 -0.0156 -0.0187 0.0046 1592 ARG 109 HD2 -0.0213 -0.0244 0.0054 1593 ARG 109 HD3 -0.0177 -0.0150 0.0026 1594 ARG 109 HE -0.0311 -0.0154 -0.0008 1595 ARG 109 HH11 -0.0260 -0.0100 -0.0016 1596 ARG 109 HH12 -0.0345 -0.0051 -0.0057 1597 ARG 109 HH21 -0.0439 -0.0080 -0.0070 1598 ARG 109 HH22 -0.0453 -0.0039 -0.0090 1599 THR 110 N 0.0050 -0.0053 0.0028 1600 THR 110 CA 0.0058 -0.0043 0.0020 1601 THR 110 C 0.0065 -0.0039 -0.0007 1602 THR 110 O 0.0069 -0.0035 -0.0016 1603 THR 110 CB 0.0067 -0.0020 0.0035 1604 THR 110 OG1 0.0060 -0.0023 0.0061 1605 THR 110 CG2 0.0074 -0.0009 0.0029 1606 THR 110 H 0.0055 -0.0048 0.0022 1607 THR 110 HA 0.0052 -0.0052 0.0023 1608 THR 110 HB 0.0073 -0.0010 0.0031 1609 THR 110 HG1 0.0065 -0.0011 0.0069 1610 THR 110 HG21 0.0078 0.0003 0.0041 1611 THR 110 HG22 0.0079 -0.0005 0.0013 1612 THR 110 HG23 0.0068 -0.0020 0.0031 1613 THR 110 N 0.0050 -0.0053 0.0028 1614 THR 110 CA 0.0058 -0.0043 0.0021 1615 THR 110 C 0.0065 -0.0039 -0.0007 1616 THR 110 O 0.0069 -0.0036 -0.0017 1617 THR 110 CB 0.0067 -0.0020 0.0035 1618 THR 110 OG1 0.0076 -0.0006 0.0029 1619 THR 110 CG2 0.0061 -0.0022 0.0062 1620 THR 110 H 0.0054 -0.0048 0.0022 1621 THR 110 HA 0.0052 -0.0052 0.0023 1622 THR 110 HB 0.0072 -0.0013 0.0030 1623 THR 110 HG1 0.0080 0.0006 0.0039 1624 THR 110 HG21 0.0065 -0.0011 0.0071 1625 THR 110 HG22 0.0061 -0.0019 0.0068 1626 THR 110 HG23 0.0052 -0.0036 0.0066 1627 LYS 111 N 0.0048 -0.0104 -0.0019 1628 LYS 111 CA 0.0027 -0.0094 -0.0014 1629 LYS 111 C 0.0073 -0.0082 -0.0061 1630 LYS 111 O 0.0109 -0.0067 -0.0103 1631 LYS 111 CB -0.0037 -0.0049 -0.0013 1632 LYS 111 CG -0.0042 0.0005 -0.0067 1633 LYS 111 CD -0.0107 0.0048 -0.0063 1634 LYS 111 CE -0.0113 0.0103 -0.0117 1635 LYS 111 NZ -0.0175 0.0146 -0.0116 1636 LYS 111 H 0.0064 -0.0083 -0.0053 1637 LYS 111 HA 0.0026 -0.0126 0.0021 1638 LYS 111 HB2 -0.0050 -0.0049 -0.0003 1639 LYS 111 HB3 -0.0065 -0.0055 0.0014 1640 LYS 111 HG2 -0.0030 0.0007 -0.0077 1641 LYS 111 HG3 -0.0015 0.0012 -0.0095 1642 LYS 111 HD2 -0.0118 0.0048 -0.0055 1643 LYS 111 HD3 -0.0135 0.0040 -0.0034 1644 LYS 111 HE2 -0.0105 0.0104 -0.0124 1645 LYS 111 HE3 -0.0084 0.0110 -0.0146 1646 LYS 111 HZ1 -0.0204 0.0136 -0.0083 1647 LYS 111 HZ2 -0.0181 0.0174 -0.0142 1648 LYS 111 HZ3 -0.0179 0.0154 -0.0122 1649 VAL 112 N 0.0017 -0.0177 -0.0084 1650 VAL 112 CA 0.0020 -0.0193 -0.0093 1651 VAL 112 C 0.0025 -0.0198 -0.0090 1652 VAL 112 O 0.0035 -0.0195 -0.0079 1653 VAL 112 CB 0.0030 -0.0204 -0.0090 1654 VAL 112 CG1 0.0032 -0.0221 -0.0099 1655 VAL 112 CG2 0.0025 -0.0199 -0.0091 1656 VAL 112 H 0.0024 -0.0175 -0.0076 1657 VAL 112 HA 0.0012 -0.0195 -0.0102 1658 VAL 112 HB 0.0038 -0.0202 -0.0081 1659 VAL 112 HG11 0.0039 -0.0227 -0.0097 1660 VAL 112 HG12 0.0036 -0.0224 -0.0097 1661 VAL 112 HG13 0.0024 -0.0222 -0.0108 1662 VAL 112 HG21 0.0031 -0.0206 -0.0090 1663 VAL 112 HG22 0.0016 -0.0199 -0.0100 1664 VAL 112 HG23 0.0024 -0.0188 -0.0085 1665 GLU 113 N 0.0068 -0.0269 -0.0102 1666 GLU 113 CA 0.0002 -0.0151 -0.0034 1667 GLU 113 C 0.0041 -0.0155 -0.0108 1668 GLU 113 O 0.0106 -0.0123 -0.0248 1669 GLU 113 CB -0.0032 0.0027 -0.0059 1670 GLU 113 CG -0.0091 0.0153 -0.0006 1671 GLU 113 CD -0.0121 0.0331 -0.0038 1672 GLU 113 OE1 -0.0152 0.0362 0.0005 1673 GLU 113 OE2 -0.0114 0.0437 -0.0105 1674 GLU 113 H 0.0116 -0.0257 -0.0200 1675 GLU 113 HA -0.0046 -0.0185 0.0075 1676 GLU 113 HB2 -0.0063 0.0032 -0.0000 1677 GLU 113 HB3 0.0017 0.0057 -0.0166 1678 GLU 113 HG2 -0.0061 0.0144 -0.0060 1679 GLU 113 HG3 -0.0142 0.0128 0.0103 1680 ASN 114 N 0.0050 -0.0211 -0.0078 1681 ASN 114 CA -0.0014 -0.0252 0.0011 1682 ASN 114 C -0.0054 -0.0355 -0.0131 1683 ASN 114 O -0.0036 -0.0336 -0.0135 1684 ASN 114 CB 0.0071 -0.0110 0.0116 1685 ASN 114 CG 0.0105 -0.0012 0.0262 1686 ASN 114 OD1 0.0030 -0.0069 0.0344 1687 ASN 114 ND2 0.0218 0.0136 0.0299 1688 ASN 114 H 0.0017 -0.0227 -0.0020 1689 ASN 114 HA -0.0094 -0.0310 0.0106 1690 ASN 114 HB2 0.0152 -0.0050 0.0025 1691 ASN 114 HB3 0.0023 -0.0141 0.0180 1692 ASN 114 HD21 0.0242 0.0197 0.0381 1693 ASN 114 HD22 0.0266 0.0171 0.0241 1694 ASN 115 N -0.0131 -0.0151 -0.0127 1695 ASN 115 CA -0.0107 -0.0170 -0.0139 1696 ASN 115 C 0.0115 -0.0203 -0.0133 1697 ASN 115 O 0.0154 -0.0205 -0.0129 1698 ASN 115 CB -0.0207 -0.0024 -0.0034 1699 ASN 115 CG -0.0268 -0.0067 -0.0078 1700 ASN 115 OD1 -0.0335 -0.0197 -0.0194 1701 ASN 115 ND2 -0.0241 0.0041 0.0014 1702 ASN 115 H -0.0181 -0.0232 -0.0201 1703 ASN 115 HA -0.0176 -0.0264 -0.0226 1704 ASN 115 HB2 -0.0330 0.0019 -0.0017 1705 ASN 115 HB3 -0.0110 0.0057 0.0047 1706 ASN 115 HD21 -0.0190 0.0129 0.0094 1707 ASN 115 HD22 -0.0273 0.0022 -0.0006 1708 ASN 115 N -0.0132 -0.0151 -0.0127 1709 ASN 115 CA -0.0107 -0.0172 -0.0141 1710 ASN 115 C 0.0115 -0.0207 -0.0136 1711 ASN 115 O 0.0153 -0.0212 -0.0135 1712 ASN 115 CB -0.0209 -0.0029 -0.0038 1713 ASN 115 CG -0.0441 -0.0012 -0.0058 1714 ASN 115 OD1 -0.0537 -0.0130 -0.0169 1715 ASN 115 ND2 -0.0532 0.0136 0.0050 1716 ASN 115 H -0.0184 -0.0232 -0.0201 1717 ASN 115 HA -0.0177 -0.0267 -0.0228 1718 ASN 115 HB2 -0.0158 0.0070 0.0050 1719 ASN 115 HB3 -0.0175 -0.0043 -0.0045 1720 ASN 115 HD21 -0.0460 0.0216 0.0126 1721 ASN 115 HD22 -0.0664 0.0153 0.0044 1722 THR 116 N 0.0071 -0.0169 -0.0112 1723 THR 116 CA 0.0097 -0.0170 -0.0122 1724 THR 116 C 0.0098 -0.0194 -0.0124 1725 THR 116 O 0.0079 -0.0199 -0.0118 1726 THR 116 CB 0.0104 -0.0143 -0.0122 1727 THR 116 OG1 0.0106 -0.0121 -0.0121 1728 THR 116 CG2 0.0129 -0.0144 -0.0132 1729 THR 116 H 0.0060 -0.0162 -0.0107 1730 THR 116 HA 0.0110 -0.0173 -0.0127 1731 THR 116 HB 0.0090 -0.0139 -0.0117 1732 THR 116 HG1 0.0110 -0.0106 -0.0121 1733 THR 116 HG21 0.0136 -0.0126 -0.0133 1734 THR 116 HG22 0.0126 -0.0155 -0.0132 1735 THR 116 HG23 0.0142 -0.0153 -0.0138 1736 VAL 117 N 0.0087 -0.0160 -0.0013 1737 VAL 117 CA 0.0081 -0.0135 -0.0005 1738 VAL 117 C 0.0064 -0.0128 -0.0009 1739 VAL 117 O 0.0046 -0.0136 -0.0019 1740 VAL 117 CB 0.0071 -0.0127 -0.0006 1741 VAL 117 CG1 0.0064 -0.0102 0.0002 1742 VAL 117 CG2 0.0088 -0.0135 -0.0003 1743 VAL 117 H 0.0080 -0.0167 -0.0019 1744 VAL 117 HA 0.0095 -0.0128 0.0003 1745 VAL 117 HB 0.0057 -0.0134 -0.0014 1746 VAL 117 HG11 0.0060 -0.0098 0.0002 1747 VAL 117 HG12 0.0051 -0.0098 -0.0001 1748 VAL 117 HG13 0.0077 -0.0095 0.0010 1749 VAL 117 HG21 0.0081 -0.0129 -0.0003 1750 VAL 117 HG22 0.0102 -0.0130 0.0005 1751 VAL 117 HG23 0.0090 -0.0152 -0.0009 1752 PHE 118 N 0.0142 -0.0035 -0.0078 1753 PHE 118 CA 0.0112 -0.0023 -0.0080 1754 PHE 118 C 0.0107 -0.0047 -0.0045 1755 PHE 118 O 0.0100 -0.0068 -0.0014 1756 PHE 118 CB 0.0068 -0.0003 -0.0084 1757 PHE 118 CG 0.0067 0.0026 -0.0121 1758 PHE 118 CD1 0.0060 0.0050 -0.0150 1759 PHE 118 CD2 0.0073 0.0029 -0.0128 1760 PHE 118 CE1 0.0059 0.0076 -0.0183 1761 PHE 118 CE2 0.0072 0.0055 -0.0162 1762 PHE 118 CZ 0.0066 0.0078 -0.0190 1763 PHE 118 H 0.0132 -0.0045 -0.0060 1764 PHE 118 HA 0.0125 -0.0011 -0.0101 1765 PHE 118 HB2 0.0058 -0.0013 -0.0066 1766 PHE 118 HB3 0.0047 0.0001 -0.0080 1767 PHE 118 HD1 0.0056 0.0048 -0.0146 1768 PHE 118 HD2 0.0077 0.0013 -0.0109 1769 PHE 118 HE1 0.0054 0.0092 -0.0202 1770 PHE 118 HE2 0.0077 0.0056 -0.0166 1771 PHE 118 HZ 0.0066 0.0096 -0.0213 1772 VAL 119 N 0.0101 0.0027 0.0024 1773 VAL 119 CA 0.0099 0.0021 0.0031 1774 VAL 119 C 0.0094 0.0011 0.0030 1775 VAL 119 O 0.0092 0.0008 0.0030 1776 VAL 119 CB 0.0103 0.0024 0.0042 1777 VAL 119 CG1 0.0108 0.0034 0.0042 1778 VAL 119 CG2 0.0103 0.0023 0.0046 1779 VAL 119 H 0.0101 0.0026 0.0026 1780 VAL 119 HA 0.0100 0.0022 0.0028 1781 VAL 119 HB 0.0102 0.0020 0.0046 1782 VAL 119 HG11 0.0111 0.0036 0.0049 1783 VAL 119 HG12 0.0108 0.0035 0.0040 1784 VAL 119 HG13 0.0110 0.0038 0.0037 1785 VAL 119 HG21 0.0106 0.0025 0.0053 1786 VAL 119 HG22 0.0104 0.0026 0.0042 1787 VAL 119 HG23 0.0100 0.0016 0.0047 1788 ASP 120 N 0.0107 -0.0015 0.0017 1789 ASP 120 CA 0.0097 -0.0027 0.0016 1790 ASP 120 C 0.0131 -0.0061 0.0027 1791 ASP 120 O 0.0126 -0.0101 0.0032 1792 ASP 120 CB 0.0050 -0.0047 0.0010 1793 ASP 120 CG 0.0038 -0.0064 0.0010 1794 ASP 120 OD1 0.0066 -0.0057 0.0015 1795 ASP 120 OD2 0.0002 -0.0085 0.0006 1796 ASP 120 H 0.0097 -0.0034 0.0017 1797 ASP 120 HA 0.0099 -0.0000 0.0013 1798 ASP 120 HB2 0.0028 -0.0024 0.0003 1799 ASP 120 HB3 0.0047 -0.0072 0.0013 1800 TYR 121 N 0.0141 -0.0016 0.0015 1801 TYR 121 CA 0.0147 -0.0027 0.0037 1802 TYR 121 C 0.0108 -0.0037 0.0058 1803 TYR 121 O 0.0110 -0.0048 0.0080 1804 TYR 121 CB 0.0162 -0.0016 0.0013 1805 TYR 121 CG 0.0131 -0.0002 -0.0013 1806 TYR 121 CD1 0.0128 0.0015 -0.0048 1807 TYR 121 CD2 0.0105 -0.0006 -0.0004 1808 TYR 121 CE1 0.0100 0.0028 -0.0072 1809 TYR 121 CE2 0.0077 0.0007 -0.0028 1810 TYR 121 CZ 0.0074 0.0024 -0.0062 1811 TYR 121 OH 0.0046 0.0036 -0.0086 1812 TYR 121 H 0.0140 -0.0005 -0.0008 1813 TYR 121 HA 0.0168 -0.0037 0.0055 1814 TYR 121 HB2 0.0169 -0.0024 0.0029 1815 TYR 121 HB3 0.0186 -0.0010 -0.0000 1816 TYR 121 HD1 0.0145 0.0018 -0.0054 1817 TYR 121 HD2 0.0107 -0.0017 0.0019 1818 TYR 121 HE1 0.0098 0.0040 -0.0095 1819 TYR 121 HE2 0.0060 0.0004 -0.0021 1820 TYR 121 HH 0.0032 0.0032 -0.0075 1821 ALA 122 N 0.0193 -0.0051 0.0042 1822 ALA 122 CA 0.0175 -0.0066 0.0049 1823 ALA 122 C 0.0137 -0.0125 0.0065 1824 ALA 122 O 0.0118 -0.0143 0.0072 1825 ALA 122 CB 0.0143 -0.0011 0.0055 1826 ALA 122 H 0.0168 -0.0027 0.0049 1827 ALA 122 HA 0.0211 -0.0075 0.0039 1828 ALA 122 HB1 0.0137 -0.0020 0.0058 1829 ALA 122 HB2 0.0167 0.0026 0.0045 1830 ALA 122 HB3 0.0104 -0.0004 0.0066 1831 ALA 123 N 0.0148 -0.0257 0.0077 1832 ALA 123 CA 0.0107 -0.0292 0.0044 1833 ALA 123 C 0.0130 -0.0288 0.0061 1834 ALA 123 O 0.0104 -0.0249 0.0045 1835 ALA 123 CB 0.0046 -0.0254 0.0001 1836 ALA 123 H 0.0158 -0.0216 0.0089 1837 ALA 123 HA 0.0106 -0.0343 0.0038 1838 ALA 123 HB1 0.0017 -0.0289 -0.0024 1839 ALA 123 HB2 0.0041 -0.0233 -0.0001 1840 ALA 123 HB3 0.0043 -0.0215 0.0002 1841 ILE 124 N 0.0115 -0.0105 0.0102 1842 ILE 124 CA 0.0122 -0.0105 0.0107 1843 ILE 124 C 0.0118 -0.0122 0.0102 1844 ILE 124 O 0.0119 -0.0137 0.0100 1845 ILE 124 CB 0.0138 -0.0103 0.0120 1846 ILE 124 CG1 0.0141 -0.0085 0.0125 1847 ILE 124 CG2 0.0144 -0.0104 0.0125 1848 ILE 124 CD1 0.0156 -0.0085 0.0137 1849 ILE 124 H 0.0121 -0.0111 0.0105 1850 ILE 124 HA 0.0117 -0.0094 0.0105 1851 ILE 124 HB 0.0143 -0.0113 0.0123 1852 ILE 124 HG12 0.0140 -0.0075 0.0126 1853 ILE 124 HG13 0.0134 -0.0082 0.0120 1854 ILE 124 HG21 0.0154 -0.0100 0.0133 1855 ILE 124 HG22 0.0145 -0.0117 0.0124 1856 ILE 124 HG23 0.0138 -0.0097 0.0121 1857 ILE 124 HD11 0.0157 -0.0073 0.0140 1858 ILE 124 HD12 0.0158 -0.0094 0.0137 1859 ILE 124 HD13 0.0163 -0.0087 0.0143 1860 THR 125 N 0.0128 -0.0037 0.0141 1861 THR 125 CA 0.0115 -0.0072 0.0160 1862 THR 125 C 0.0138 -0.0134 0.0083 1863 THR 125 O 0.0147 -0.0192 0.0040 1864 THR 125 CB 0.0075 -0.0132 0.0241 1865 THR 125 OG1 0.0053 -0.0072 0.0317 1866 THR 125 CG2 0.0063 -0.0182 0.0254 1867 THR 125 OXT 0.0147 -0.0126 0.0063 1868 THR 125 H 0.0123 -0.0081 0.0137 1869 THR 125 HA 0.0118 -0.0020 0.0170 1870 THR 125 HB 0.0072 -0.0179 0.0232 1871 THR 125 HG1 0.0064 -0.0028 0.0304 1872 THR 125 HG21 0.0037 -0.0198 0.0315 1873 THR 125 HG22 0.0071 -0.0239 0.0216 1874 THR 125 HG23 0.0075 -0.0141 0.0239