1 ALA 8 N -0.0541 -0.0310 -0.0579 2 ALA 8 CA -0.0109 -0.0140 -0.0261 3 ALA 8 C 0.0280 0.0424 0.0294 4 ALA 8 O 0.0536 0.0686 0.0587 5 ALA 8 CB 0.0440 -0.0795 -0.0429 6 ALA 8 HA -0.0448 0.0049 -0.0299 7 ALA 8 HB1 0.0729 -0.0666 -0.0207 8 ALA 8 HB2 0.0165 -0.1102 -0.0761 9 ALA 8 HB3 0.0753 -0.1007 -0.0419 10 ASP 9 N 0.0078 0.0115 -0.0019 11 ASP 9 CA 0.0068 0.0109 0.0003 12 ASP 9 C 0.0014 0.0070 -0.0005 13 ASP 9 O 0.0001 0.0056 -0.0052 14 ASP 9 CB 0.0101 0.0131 -0.0025 15 ASP 9 CG 0.0098 0.0132 0.0010 16 ASP 9 OD1 0.0088 0.0129 0.0065 17 ASP 9 OD2 0.0106 0.0135 -0.0018 18 ASP 9 H 0.0060 0.0099 -0.0047 19 ASP 9 HA 0.0073 0.0117 0.0046 20 ASP 9 HB2 0.0135 0.0155 -0.0026 21 ASP 9 HB3 0.0092 0.0120 -0.0066 22 PHE 10 N -0.0031 0.0035 -0.0010 23 PHE 10 CA -0.0014 0.0034 -0.0011 24 PHE 10 C 0.0000 0.0044 -0.0024 25 PHE 10 O -0.0006 0.0056 -0.0035 26 PHE 10 CB -0.0021 0.0036 -0.0012 27 PHE 10 CG -0.0028 0.0024 0.0001 28 PHE 10 CD1 -0.0015 0.0013 0.0010 29 PHE 10 CD2 -0.0048 0.0023 0.0005 30 PHE 10 CE1 -0.0021 0.0002 0.0023 31 PHE 10 CE2 -0.0054 0.0012 0.0017 32 PHE 10 CZ -0.0041 0.0001 0.0026 33 PHE 10 H -0.0041 0.0040 -0.0014 34 PHE 10 HA -0.0007 0.0024 -0.0002 35 PHE 10 HB2 -0.0032 0.0043 -0.0018 36 PHE 10 HB3 -0.0011 0.0039 -0.0017 37 PHE 10 HD1 -0.0002 0.0014 0.0008 38 PHE 10 HD2 -0.0057 0.0030 -0.0001 39 PHE 10 HE1 -0.0012 -0.0005 0.0028 40 PHE 10 HE2 -0.0067 0.0011 0.0019 41 PHE 10 HZ -0.0045 -0.0006 0.0034 42 ILE 11 N -0.0019 0.0032 -0.0010 43 ILE 11 CA -0.0027 0.0016 -0.0030 44 ILE 11 C -0.0012 -0.0002 -0.0029 45 ILE 11 O -0.0004 0.0001 -0.0019 46 ILE 11 CB -0.0046 0.0027 -0.0040 47 ILE 11 CG1 -0.0062 0.0046 -0.0041 48 ILE 11 CG2 -0.0053 0.0009 -0.0060 49 ILE 11 CD1 -0.0068 0.0039 -0.0052 50 ILE 11 H -0.0015 0.0037 -0.0004 51 ILE 11 HA -0.0030 0.0011 -0.0037 52 ILE 11 HB -0.0043 0.0033 -0.0033 53 ILE 11 HG12 -0.0056 0.0056 -0.0028 54 ILE 11 HG13 -0.0073 0.0052 -0.0047 55 ILE 11 HG21 -0.0067 0.0016 -0.0068 56 ILE 11 HG22 -0.0045 0.0001 -0.0059 57 ILE 11 HG23 -0.0052 0.0000 -0.0066 58 ILE 11 HD11 -0.0078 0.0052 -0.0052 59 ILE 11 HD12 -0.0074 0.0029 -0.0065 60 ILE 11 HD13 -0.0057 0.0033 -0.0046 61 GLY 12 N 0.0023 -0.0028 -0.0031 62 GLY 12 CA 0.0061 -0.0026 -0.0037 63 GLY 12 C 0.0059 -0.0019 -0.0024 64 GLY 12 O 0.0031 -0.0027 -0.0030 65 GLY 12 H 0.0010 -0.0040 -0.0049 66 GLY 12 HA2 0.0081 -0.0016 -0.0024 67 GLY 12 HA3 0.0069 -0.0039 -0.0062 68 ILE 13 N 0.0012 0.0042 0.0048 69 ILE 13 CA 0.0022 0.0045 0.0060 70 ILE 13 C 0.0032 0.0058 0.0057 71 ILE 13 O 0.0041 0.0062 0.0066 72 ILE 13 CB 0.0022 0.0038 0.0072 73 ILE 13 CG1 0.0021 0.0039 0.0069 74 ILE 13 CG2 0.0013 0.0026 0.0076 75 ILE 13 CD1 0.0024 0.0034 0.0082 76 ILE 13 H 0.0011 0.0044 0.0044 77 ILE 13 HA 0.0022 0.0044 0.0062 78 ILE 13 HB 0.0029 0.0041 0.0079 79 ILE 13 HG12 0.0014 0.0035 0.0063 80 ILE 13 HG13 0.0026 0.0047 0.0065 81 ILE 13 HG21 0.0014 0.0021 0.0084 82 ILE 13 HG22 0.0014 0.0025 0.0078 83 ILE 13 HG23 0.0006 0.0022 0.0069 84 ILE 13 HD11 0.0024 0.0036 0.0079 85 ILE 13 HD12 0.0031 0.0038 0.0088 86 ILE 13 HD13 0.0019 0.0026 0.0085 87 GLY 14 N 0.0067 -0.0022 0.0016 88 GLY 14 CA 0.0060 -0.0026 0.0018 89 GLY 14 C 0.0098 -0.0022 0.0007 90 GLY 14 O 0.0129 -0.0013 -0.0004 91 GLY 14 H 0.0089 -0.0034 0.0012 92 GLY 14 HA2 0.0050 -0.0052 0.0026 93 GLY 14 HA3 0.0041 -0.0004 0.0020 94 LYS 15 N 0.0098 -0.0009 -0.0012 95 LYS 15 CA 0.0091 -0.0011 -0.0009 96 LYS 15 C 0.0090 -0.0020 -0.0008 97 LYS 15 O 0.0096 -0.0024 -0.0009 98 LYS 15 CB 0.0091 -0.0006 -0.0010 99 LYS 15 CG 0.0091 0.0003 -0.0010 100 LYS 15 CD 0.0091 0.0006 -0.0011 101 LYS 15 CE 0.0086 0.0003 -0.0009 102 LYS 15 NZ 0.0087 0.0007 -0.0009 103 LYS 15 H 0.0101 -0.0008 -0.0014 104 LYS 15 HA 0.0087 -0.0009 -0.0007 105 LYS 15 HB2 0.0096 -0.0008 -0.0011 106 LYS 15 HB3 0.0087 -0.0008 -0.0008 107 LYS 15 HG2 0.0086 0.0004 -0.0009 108 LYS 15 HG3 0.0095 0.0005 -0.0012 109 LYS 15 HD2 0.0090 0.0012 -0.0011 110 LYS 15 HD3 0.0096 0.0005 -0.0013 111 LYS 15 HE2 0.0087 -0.0003 -0.0008 112 LYS 15 HE3 0.0081 0.0004 -0.0007 113 LYS 15 HZ1 0.0092 0.0006 -0.0011 114 LYS 15 HZ2 0.0084 0.0004 -0.0008 115 LYS 15 HZ3 0.0086 0.0012 -0.0009 116 LEU 16 N 0.0038 -0.0027 -0.0003 117 LEU 16 CA 0.0031 -0.0027 -0.0015 118 LEU 16 C 0.0022 -0.0016 -0.0010 119 LEU 16 O 0.0021 -0.0016 -0.0015 120 LEU 16 CB 0.0024 -0.0027 -0.0029 121 LEU 16 CG 0.0016 -0.0026 -0.0043 122 LEU 16 CD1 0.0023 -0.0038 -0.0051 123 LEU 16 CD2 0.0007 -0.0024 -0.0054 124 LEU 16 H 0.0037 -0.0028 -0.0005 125 LEU 16 HA 0.0037 -0.0034 -0.0018 126 LEU 16 HB2 0.0030 -0.0035 -0.0033 127 LEU 16 HB3 0.0019 -0.0020 -0.0026 128 LEU 16 HG 0.0011 -0.0020 -0.0040 129 LEU 16 HD11 0.0018 -0.0036 -0.0060 130 LEU 16 HD12 0.0029 -0.0039 -0.0044 131 LEU 16 HD13 0.0028 -0.0044 -0.0055 132 LEU 16 HD21 0.0002 -0.0022 -0.0063 133 LEU 16 HD22 0.0012 -0.0030 -0.0058 134 LEU 16 HD23 0.0003 -0.0016 -0.0049 135 ASP 17 N 0.0013 -0.0034 -0.0065 136 ASP 17 CA 0.0002 -0.0050 -0.0070 137 ASP 17 C -0.0022 -0.0052 -0.0087 138 ASP 17 O -0.0034 -0.0063 -0.0093 139 ASP 17 CB 0.0010 -0.0076 -0.0060 140 ASP 17 CG 0.0016 -0.0088 -0.0054 141 ASP 17 OD1 0.0028 -0.0075 -0.0047 142 ASP 17 OD2 0.0008 -0.0110 -0.0056 143 ASP 17 H 0.0019 -0.0042 -0.0059 144 ASP 17 HA 0.0004 -0.0042 -0.0070 145 ASP 17 HB2 -0.0001 -0.0088 -0.0066 146 ASP 17 HB3 0.0023 -0.0075 -0.0051 147 ASP 18 N -0.0020 -0.0069 -0.0030 148 ASP 18 CA -0.0017 -0.0069 -0.0043 149 ASP 18 C -0.0019 -0.0074 -0.0068 150 ASP 18 O -0.0020 -0.0076 -0.0081 151 ASP 18 CB 0.0005 -0.0058 -0.0042 152 ASP 18 CG 0.0009 -0.0053 -0.0018 153 ASP 18 OD1 -0.0005 -0.0058 -0.0005 154 ASP 18 OD2 0.0028 -0.0043 -0.0014 155 ASP 18 H -0.0009 -0.0063 -0.0024 156 ASP 18 HA -0.0026 -0.0073 -0.0037 157 ASP 18 HB2 0.0015 -0.0054 -0.0046 158 ASP 18 HB3 0.0007 -0.0059 -0.0052 159 PHE 19 N -0.0036 -0.0048 0.0047 160 PHE 19 CA -0.0040 -0.0029 0.0048 161 PHE 19 C -0.0031 -0.0030 0.0052 162 PHE 19 O -0.0016 -0.0034 0.0059 163 PHE 19 CB -0.0034 -0.0013 0.0053 164 PHE 19 CG -0.0044 -0.0011 0.0049 165 PHE 19 CD1 -0.0060 -0.0002 0.0043 166 PHE 19 CD2 -0.0037 -0.0019 0.0051 167 PHE 19 CE1 -0.0070 -0.0001 0.0038 168 PHE 19 CE2 -0.0047 -0.0017 0.0047 169 PHE 19 CZ -0.0063 -0.0008 0.0040 170 PHE 19 H -0.0025 -0.0049 0.0052 171 PHE 19 HA -0.0052 -0.0028 0.0042 172 PHE 19 HB2 -0.0022 -0.0015 0.0059 173 PHE 19 HB3 -0.0036 -0.0002 0.0054 174 PHE 19 HD1 -0.0065 0.0003 0.0041 175 PHE 19 HD2 -0.0027 -0.0025 0.0055 176 PHE 19 HE1 -0.0081 0.0005 0.0034 177 PHE 19 HE2 -0.0042 -0.0022 0.0048 178 PHE 19 HZ -0.0069 -0.0008 0.0037 179 PRO 20 N 0.0013 -0.0133 -0.0118 180 PRO 20 CA 0.0089 -0.0149 -0.0078 181 PRO 20 C 0.0087 -0.0128 0.0007 182 PRO 20 O 0.0036 -0.0102 0.0044 183 PRO 20 CB 0.0119 -0.0162 -0.0091 184 PRO 20 CG 0.0070 -0.0161 -0.0157 185 PRO 20 CD -0.0006 -0.0133 -0.0149 186 PRO 20 HA 0.0120 -0.0165 -0.0102 187 PRO 20 HB2 0.0115 -0.0150 -0.0046 188 PRO 20 HB3 0.0171 -0.0182 -0.0104 189 PRO 20 HG2 0.0068 -0.0159 -0.0154 190 PRO 20 HG3 0.0090 -0.0179 -0.0205 191 PRO 20 HD2 -0.0034 -0.0116 -0.0114 192 PRO 20 HD3 -0.0034 -0.0136 -0.0199 193 VAL 21 N -0.0026 0.0012 -0.0049 194 VAL 21 CA -0.0050 -0.0024 -0.0039 195 VAL 21 C -0.0019 -0.0051 0.0007 196 VAL 21 O 0.0022 -0.0031 0.0023 197 VAL 21 CB -0.0063 -0.0001 -0.0066 198 VAL 21 CG1 -0.0078 -0.0036 -0.0050 199 VAL 21 CG2 -0.0102 0.0016 -0.0110 200 VAL 21 H -0.0021 0.0041 -0.0067 201 VAL 21 HA -0.0080 -0.0046 -0.0044 202 VAL 21 HB -0.0036 0.0025 -0.0066 203 VAL 21 HG11 -0.0095 -0.0026 -0.0072 204 VAL 21 HG12 -0.0050 -0.0039 -0.0027 205 VAL 21 HG13 -0.0099 -0.0067 -0.0042 206 VAL 21 HG21 -0.0110 0.0030 -0.0127 207 VAL 21 HG22 -0.0129 -0.0010 -0.0111 208 VAL 21 HG23 -0.0090 0.0040 -0.0120 209 GLY 22 N 0.0050 -0.0014 0.0083 210 GLY 22 CA 0.0072 -0.0036 0.0143 211 GLY 22 C 0.0087 -0.0035 0.0136 212 GLY 22 O 0.0109 -0.0053 0.0185 213 GLY 22 H 0.0004 -0.0010 0.0081 214 GLY 22 HA2 0.0034 -0.0045 0.0178 215 GLY 22 HA3 0.0115 -0.0045 0.0159 216 ILE 23 N 0.0122 -0.0058 0.0237 217 ILE 23 CA 0.0063 -0.0060 0.0179 218 ILE 23 C -0.0101 -0.0029 0.0132 219 ILE 23 O -0.0138 -0.0053 0.0023 220 ILE 23 CB 0.0148 -0.0124 0.0050 221 ILE 23 CG1 0.0311 -0.0153 0.0103 222 ILE 23 CG2 0.0080 -0.0126 -0.0016 223 ILE 23 CD1 0.0402 -0.0210 -0.0001 224 ILE 23 H 0.0114 -0.0075 0.0176 225 ILE 23 HA 0.0072 -0.0039 0.0256 226 ILE 23 HB 0.0141 -0.0146 -0.0028 227 ILE 23 HG12 0.0317 -0.0126 0.0195 228 ILE 23 HG13 0.0354 -0.0160 0.0119 229 ILE 23 HG21 0.0137 -0.0167 -0.0096 230 ILE 23 HG22 -0.0021 -0.0110 -0.0053 231 ILE 23 HG23 0.0082 -0.0103 0.0059 232 ILE 23 HD11 0.0506 -0.0229 0.0030 233 ILE 23 HD12 0.0381 -0.0235 -0.0099 234 ILE 23 HD13 0.0375 -0.0203 -0.0001 235 PRO 24 N -0.0062 0.0000 0.0077 236 PRO 24 CA -0.0086 0.0007 0.0070 237 PRO 24 C -0.0108 -0.0016 0.0046 238 PRO 24 O -0.0118 -0.0026 0.0036 239 PRO 24 CB -0.0105 0.0040 0.0080 240 PRO 24 CG -0.0083 0.0054 0.0098 241 PRO 24 CD -0.0064 0.0027 0.0091 242 PRO 24 HA -0.0076 0.0008 0.0075 243 PRO 24 HB2 -0.0124 0.0038 0.0070 244 PRO 24 HB3 -0.0112 0.0052 0.0084 245 PRO 24 HG2 -0.0095 0.0070 0.0102 246 PRO 24 HG3 -0.0068 0.0062 0.0110 247 PRO 24 HD2 -0.0076 0.0024 0.0084 248 PRO 24 HD3 -0.0043 0.0030 0.0103 249 LYS 25 N -0.0185 0.0025 0.0105 250 LYS 25 CA -0.0241 -0.0022 0.0029 251 LYS 25 C -0.0286 0.0068 0.0009 252 LYS 25 O -0.0250 0.0130 0.0067 253 LYS 25 CB -0.0198 -0.0122 0.0045 254 LYS 25 CG -0.0165 -0.0227 0.0048 255 LYS 25 CD -0.0231 -0.0270 -0.0037 256 LYS 25 CE -0.0200 -0.0351 -0.0029 257 LYS 25 NZ -0.0217 -0.0464 -0.0083 258 LYS 25 H -0.0155 0.0058 0.0148 259 LYS 25 HA -0.0277 -0.0048 -0.0019 260 LYS 25 HB2 -0.0154 -0.0100 0.0099 261 LYS 25 HB3 -0.0236 -0.0140 -0.0002 262 LYS 25 HG2 -0.0128 -0.0210 0.0094 263 LYS 25 HG3 -0.0137 -0.0285 0.0060 264 LYS 25 HD2 -0.0257 -0.0310 -0.0078 265 LYS 25 HD3 -0.0269 -0.0206 -0.0059 266 LYS 25 HE2 -0.0226 -0.0320 -0.0048 267 LYS 25 HE3 -0.0143 -0.0359 0.0031 268 LYS 25 HZ1 -0.0198 -0.0509 -0.0076 269 LYS 25 HZ2 -0.0193 -0.0495 -0.0067 270 LYS 25 HZ3 -0.0269 -0.0459 -0.0138 271 LYS 26 N -0.0294 0.0002 0.0115 272 LYS 26 CA -0.0217 -0.0038 0.0129 273 LYS 26 C -0.0188 -0.0065 0.0213 274 LYS 26 O -0.0232 -0.0053 0.0282 275 LYS 26 CB -0.0230 -0.0032 0.0134 276 LYS 26 CG -0.0160 -0.0067 0.0132 277 LYS 26 CD -0.0178 -0.0053 0.0100 278 LYS 26 CE -0.0255 -0.0020 0.0138 279 LYS 26 NZ -0.0246 -0.0026 0.0144 280 LYS 26 H -0.0332 0.0017 0.0145 281 LYS 26 HA -0.0177 -0.0052 0.0084 282 LYS 26 HB2 -0.0260 -0.0010 0.0084 283 LYS 26 HB3 -0.0261 -0.0025 0.0188 284 LYS 26 HG2 -0.0141 -0.0085 0.0190 285 LYS 26 HG3 -0.0119 -0.0082 0.0092 286 LYS 26 HD2 -0.0136 -0.0077 0.0114 287 LYS 26 HD3 -0.0182 -0.0043 0.0037 288 LYS 26 HE2 -0.0298 0.0006 0.0101 289 LYS 26 HE3 -0.0268 -0.0022 0.0196 290 LYS 26 HZ1 -0.0212 -0.0037 0.0102 291 LYS 26 HZ2 -0.0292 -0.0002 0.0140 292 LYS 26 HZ3 -0.0228 -0.0043 0.0196 293 VAL 27 N -0.0123 0.0058 0.0228 294 VAL 27 CA -0.0086 0.0057 0.0304 295 VAL 27 C 0.0004 0.0022 0.0303 296 VAL 27 O 0.0037 -0.0002 0.0237 297 VAL 27 CB -0.0115 0.0071 0.0317 298 VAL 27 CG1 -0.0205 0.0106 0.0322 299 VAL 27 CG2 -0.0091 0.0049 0.0246 300 VAL 27 H -0.0101 0.0042 0.0183 301 VAL 27 HA -0.0099 0.0071 0.0351 302 VAL 27 HB -0.0090 0.0070 0.0369 303 VAL 27 HG11 -0.0221 0.0115 0.0335 304 VAL 27 HG12 -0.0220 0.0120 0.0366 305 VAL 27 HG13 -0.0230 0.0107 0.0269 306 VAL 27 HG21 -0.0117 0.0060 0.0250 307 VAL 27 HG22 -0.0106 0.0046 0.0193 308 VAL 27 HG23 -0.0034 0.0028 0.0251 309 ALA 28 N 0.0259 0.0448 0.0464 310 ALA 28 CA 0.0419 0.0272 0.0496 311 ALA 28 C 0.0086 0.0200 0.0320 312 ALA 28 O -0.0233 0.0428 0.0226 313 ALA 28 CB 0.0669 0.0588 0.0692 314 ALA 28 H 0.0283 0.0715 0.0541 315 ALA 28 HA 0.0577 0.0004 0.0504 316 ALA 28 HB1 0.0774 0.0470 0.0713 317 ALA 28 HB2 0.0885 0.0637 0.0807 318 ALA 28 HB3 0.0504 0.0852 0.0680 319 VAL 29 N 0.0054 0.0055 0.0167 320 VAL 29 CA 0.0015 0.0031 0.0128 321 VAL 29 C 0.0007 0.0005 0.0136 322 VAL 29 O 0.0014 -0.0031 0.0172 323 VAL 29 CB -0.0007 -0.0009 0.0127 324 VAL 29 CG1 -0.0048 -0.0031 0.0083 325 VAL 29 CG2 0.0004 0.0014 0.0125 326 VAL 29 H 0.0063 0.0033 0.0195 327 VAL 29 HA 0.0007 0.0057 0.0099 328 VAL 29 HB -0.0001 -0.0037 0.0155 329 VAL 29 HG11 -0.0062 -0.0052 0.0080 330 VAL 29 HG12 -0.0055 -0.0052 0.0088 331 VAL 29 HG13 -0.0054 -0.0002 0.0056 332 VAL 29 HG21 -0.0012 -0.0011 0.0121 333 VAL 29 HG22 0.0000 0.0045 0.0098 334 VAL 29 HG23 0.0029 0.0024 0.0154 335 THR 30 N -0.0216 0.0090 -0.0029 336 THR 30 CA -0.0337 0.0054 -0.0110 337 THR 30 C -0.0423 0.0025 -0.0179 338 THR 30 O -0.0365 0.0012 -0.0279 339 THR 30 CB -0.0275 0.0038 -0.0225 340 THR 30 OG1 -0.0163 0.0035 -0.0313 341 THR 30 CG2 -0.0205 0.0064 -0.0152 342 THR 30 H -0.0162 0.0087 -0.0080 343 THR 30 HA -0.0406 0.0058 -0.0044 344 THR 30 HB -0.0355 0.0012 -0.0285 345 THR 30 HG1 -0.0201 0.0017 -0.0364 346 THR 30 HG21 -0.0178 0.0052 -0.0225 347 THR 30 HG22 -0.0274 0.0070 -0.0081 348 THR 30 HG23 -0.0117 0.0089 -0.0102 349 SER 31 N -0.0150 0.0092 -0.0071 350 SER 31 CA -0.0117 0.0078 -0.0067 351 SER 31 C -0.0122 0.0050 -0.0047 352 SER 31 O -0.0145 0.0046 -0.0040 353 SER 31 CB -0.0099 0.0094 -0.0082 354 SER 31 OG -0.0069 0.0079 -0.0077 355 SER 31 H -0.0157 0.0104 -0.0078 356 SER 31 HA -0.0104 0.0076 -0.0068 357 SER 31 HB2 -0.0095 0.0111 -0.0095 358 SER 31 HB3 -0.0113 0.0098 -0.0082 359 SER 31 HG -0.0060 0.0089 -0.0085 360 SER 32 N 0.0154 0.0298 0.0063 361 SER 32 CA 0.0097 0.0165 0.0044 362 SER 32 C -0.0052 -0.0246 0.0193 363 SER 32 O -0.0088 -0.0369 0.0294 364 SER 32 CB 0.0059 0.0217 -0.0390 365 SER 32 OG -0.0043 0.0060 -0.0669 366 SER 32 H 0.0136 0.0331 -0.0167 367 SER 32 HA 0.0181 0.0315 0.0215 368 SER 32 HB2 0.0006 0.0092 -0.0408 369 SER 32 HB3 0.0160 0.0484 -0.0458 370 SER 32 HG -0.0056 0.0106 -0.0906 371 LYS 33 N -0.0055 -0.0127 0.0084 372 LYS 33 CA -0.0035 -0.0109 0.0078 373 LYS 33 C -0.0153 -0.0091 0.0072 374 LYS 33 O -0.0236 -0.0039 0.0056 375 LYS 33 CB 0.0048 -0.0008 0.0048 376 LYS 33 CG 0.0179 -0.0032 0.0056 377 LYS 33 CD 0.0251 0.0077 0.0024 378 LYS 33 CE 0.0384 0.0052 0.0032 379 LYS 33 NZ 0.0448 0.0138 0.0007 380 LYS 33 H -0.0033 -0.0071 0.0067 381 LYS 33 HA 0.0002 -0.0176 0.0099 382 LYS 33 HB2 0.0021 0.0055 0.0029 383 LYS 33 HB3 0.0047 0.0014 0.0041 384 LYS 33 HG2 0.0217 -0.0073 0.0069 385 LYS 33 HG3 0.0180 -0.0078 0.0070 386 LYS 33 HD2 0.0223 0.0112 0.0013 387 LYS 33 HD3 0.0240 0.0129 0.0008 388 LYS 33 HE2 0.0421 0.0052 0.0033 389 LYS 33 HE3 0.0394 -0.0023 0.0055 390 LYS 33 HZ1 0.0525 0.0120 0.0013 391 LYS 33 HZ2 0.0416 0.0140 0.0006 392 LYS 33 HZ3 0.0442 0.0207 -0.0014 393 MET 34 N -0.0059 0.0003 -0.0123 394 MET 34 CA -0.0051 -0.0001 -0.0103 395 MET 34 C -0.0142 -0.0041 -0.0033 396 MET 34 O -0.0155 -0.0046 -0.0025 397 MET 34 CB -0.0055 0.0031 -0.0211 398 MET 34 CG 0.0044 0.0072 -0.0279 399 MET 34 SD 0.0160 0.0085 -0.0248 400 MET 34 CE 0.0227 0.0063 -0.0132 401 MET 34 H -0.0119 0.0002 -0.0158 402 MET 34 HA 0.0020 0.0001 -0.0065 403 MET 34 HB2 -0.0121 0.0032 -0.0254 404 MET 34 HB3 -0.0058 0.0026 -0.0197 405 MET 34 HG2 0.0071 0.0073 -0.0266 406 MET 34 HG3 0.0022 0.0091 -0.0355 407 MET 34 HE1 0.0304 0.0075 -0.0124 408 MET 34 HE2 0.0188 0.0035 -0.0068 409 MET 34 HE3 0.0225 0.0066 -0.0143 410 ASP 35 N 0.0013 -0.0024 0.0121 411 ASP 35 CA 0.0026 0.0020 0.0098 412 ASP 35 C -0.0000 0.0030 0.0057 413 ASP 35 O -0.0022 0.0007 0.0051 414 ASP 35 CB 0.0062 0.0045 0.0119 415 ASP 35 CG 0.0061 0.0036 0.0126 416 ASP 35 OD1 0.0058 0.0003 0.0152 417 ASP 35 OD2 0.0061 0.0062 0.0104 418 ASP 35 H 0.0024 -0.0030 0.0140 419 ASP 35 HA 0.0028 0.0027 0.0093 420 ASP 35 HB2 0.0070 0.0074 0.0103 421 ASP 35 HB3 0.0078 0.0038 0.0145 422 ALA 36 N 0.0248 -0.0079 0.0209 423 ALA 36 CA 0.0078 0.0010 -0.0025 424 ALA 36 C 0.0115 0.0002 0.0022 425 ALA 36 O -0.0030 -0.0130 -0.0115 426 ALA 36 CB 0.0053 0.0341 -0.0153 427 ALA 36 H 0.0305 0.0063 0.0237 428 ALA 36 HA -0.0052 -0.0144 -0.0138 429 ALA 36 HB1 -0.0059 0.0400 -0.0308 430 ALA 36 HB2 0.0019 0.0334 -0.0193 431 ALA 36 HB3 0.0185 0.0494 -0.0037 432 TRP 37 N 0.0092 -0.0095 0.0031 433 TRP 37 CA 0.0070 -0.0061 -0.0019 434 TRP 37 C 0.0021 -0.0044 -0.0006 435 TRP 37 O -0.0020 -0.0015 -0.0027 436 TRP 37 CB 0.0115 -0.0062 -0.0061 437 TRP 37 CG 0.0095 -0.0027 -0.0115 438 TRP 37 CD1 0.0098 -0.0007 -0.0160 439 TRP 37 CD2 0.0069 -0.0008 -0.0128 440 TRP 37 NE1 0.0076 0.0023 -0.0200 441 TRP 37 CE2 0.0058 0.0023 -0.0182 442 TRP 37 CE3 0.0053 -0.0015 -0.0099 443 TRP 37 CZ2 0.0033 0.0047 -0.0208 444 TRP 37 CZ3 0.0028 0.0010 -0.0125 445 TRP 37 CH2 0.0018 0.0040 -0.0179 446 TRP 37 H 0.0126 -0.0111 0.0029 447 TRP 37 HA 0.0060 -0.0049 -0.0034 448 TRP 37 HB2 0.0146 -0.0072 -0.0071 449 TRP 37 HB3 0.0126 -0.0074 -0.0046 450 TRP 37 HD1 0.0114 -0.0013 -0.0163 451 TRP 37 HE1 0.0074 0.0039 -0.0232 452 TRP 37 HE3 0.0060 -0.0035 -0.0064 453 TRP 37 HZ2 0.0026 0.0067 -0.0243 454 TRP 37 HZ3 0.0018 0.0006 -0.0107 455 TRP 37 HH2 0.0001 0.0056 -0.0195 456 ASN 38 N 0.0004 -0.0001 0.0016 457 ASN 38 CA -0.0033 -0.0009 0.0030 458 ASN 38 C -0.0069 -0.0015 0.0038 459 ASN 38 O -0.0105 -0.0015 0.0031 460 ASN 38 CB -0.0022 -0.0022 0.0068 461 ASN 38 CG -0.0009 -0.0018 0.0060 462 ASN 38 OD1 -0.0034 -0.0015 0.0046 463 ASN 38 ND2 0.0030 -0.0018 0.0067 464 ASN 38 H 0.0025 -0.0006 0.0032 465 ASN 38 HA -0.0043 -0.0003 0.0011 466 ASN 38 HB2 0.0001 -0.0026 0.0081 467 ASN 38 HB3 -0.0046 -0.0030 0.0084 468 ASN 38 HD21 0.0039 -0.0016 0.0063 469 ASN 38 HD22 0.0047 -0.0021 0.0077 470 ILE 39 N -0.0080 -0.0064 0.0021 471 ILE 39 CA -0.0107 -0.0062 0.0034 472 ILE 39 C -0.0127 -0.0063 -0.0021 473 ILE 39 O -0.0175 -0.0062 -0.0025 474 ILE 39 CB -0.0067 -0.0063 0.0068 475 ILE 39 CG1 -0.0051 -0.0061 0.0126 476 ILE 39 CG2 -0.0096 -0.0061 0.0077 477 ILE 39 CD1 -0.0001 -0.0062 0.0157 478 ILE 39 H -0.0044 -0.0065 0.0030 479 ILE 39 HA -0.0140 -0.0060 0.0059 480 ILE 39 HB -0.0031 -0.0065 0.0047 481 ILE 39 HG12 -0.0084 -0.0059 0.0151 482 ILE 39 HG13 -0.0039 -0.0062 0.0120 483 ILE 39 HG21 -0.0074 -0.0061 0.0104 484 ILE 39 HG22 -0.0098 -0.0062 0.0040 485 ILE 39 HG23 -0.0135 -0.0059 0.0092 486 ILE 39 HD11 0.0009 -0.0061 0.0191 487 ILE 39 HD12 0.0031 -0.0064 0.0131 488 ILE 39 HD13 -0.0014 -0.0061 0.0167 489 PHE 40 N -0.0123 -0.0215 -0.0113 490 PHE 40 CA -0.0147 -0.0152 -0.0106 491 PHE 40 C -0.0095 -0.0136 -0.0086 492 PHE 40 O -0.0115 -0.0125 -0.0090 493 PHE 40 CB -0.0156 -0.0091 -0.0094 494 PHE 40 CG -0.0174 -0.0022 -0.0083 495 PHE 40 CD1 -0.0244 -0.0000 -0.0099 496 PHE 40 CD2 -0.0122 0.0024 -0.0057 497 PHE 40 CE1 -0.0261 0.0064 -0.0089 498 PHE 40 CE2 -0.0139 0.0087 -0.0047 499 PHE 40 CZ -0.0209 0.0108 -0.0064 500 PHE 40 H -0.0116 -0.0206 -0.0109 501 PHE 40 HA -0.0191 -0.0160 -0.0121 502 PHE 40 HB2 -0.0194 -0.0101 -0.0108 503 PHE 40 HB3 -0.0112 -0.0087 -0.0080 504 PHE 40 HD1 -0.0279 -0.0031 -0.0117 505 PHE 40 HD2 -0.0075 0.0009 -0.0046 506 PHE 40 HE1 -0.0308 0.0078 -0.0100 507 PHE 40 HE2 -0.0104 0.0118 -0.0030 508 PHE 40 HZ -0.0221 0.0153 -0.0057 509 GLU 41 N -0.0107 -0.0085 -0.0071 510 GLU 41 CA -0.0098 -0.0073 -0.0074 511 GLU 41 C -0.0095 -0.0067 -0.0075 512 GLU 41 O -0.0091 -0.0055 -0.0074 513 GLU 41 CB -0.0089 -0.0075 -0.0085 514 GLU 41 CG -0.0083 -0.0063 -0.0086 515 GLU 41 CD -0.0090 -0.0062 -0.0078 516 GLU 41 OE1 -0.0099 -0.0070 -0.0073 517 GLU 41 OE2 -0.0086 -0.0051 -0.0076 518 GLU 41 H -0.0106 -0.0092 -0.0075 519 GLU 41 HA -0.0100 -0.0065 -0.0069 520 GLU 41 HB2 -0.0092 -0.0084 -0.0087 521 GLU 41 HB3 -0.0084 -0.0076 -0.0092 522 GLU 41 HG2 -0.0077 -0.0066 -0.0094 523 GLU 41 HG3 -0.0081 -0.0055 -0.0084 524 GLY 42 N -0.0138 -0.0046 -0.0030 525 GLY 42 CA -0.0121 0.0010 -0.0027 526 GLY 42 C -0.0083 0.0020 0.0015 527 GLY 42 O -0.0071 0.0058 0.0018 528 GLY 42 H -0.0142 -0.0054 -0.0034 529 GLY 42 HA2 -0.0136 0.0025 -0.0048 530 GLY 42 HA3 -0.0122 0.0029 -0.0033 531 LEU 43 N -0.0196 -0.0021 -0.0044 532 LEU 43 CA -0.0113 -0.0019 0.0028 533 LEU 43 C -0.0122 -0.0092 0.0005 534 LEU 43 O -0.0077 -0.0063 0.0050 535 LEU 43 CB -0.0019 -0.0075 0.0097 536 LEU 43 CG 0.0009 -0.0002 0.0137 537 LEU 43 CD1 0.0082 -0.0085 0.0182 538 LEU 43 CD2 0.0054 0.0116 0.0200 539 LEU 43 H -0.0186 -0.0075 -0.0046 540 LEU 43 HA -0.0107 0.0068 0.0051 541 LEU 43 HB2 -0.0028 -0.0160 0.0072 542 LEU 43 HB3 0.0035 -0.0080 0.0143 543 LEU 43 HG -0.0049 0.0025 0.0093 544 LEU 43 HD11 0.0100 -0.0036 0.0208 545 LEU 43 HD12 0.0052 -0.0157 0.0141 546 LEU 43 HD13 0.0140 -0.0114 0.0226 547 LEU 43 HD21 0.0073 0.0161 0.0226 548 LEU 43 HD22 0.0111 0.0089 0.0244 549 LEU 43 HD23 0.0005 0.0170 0.0170 550 VAL 44 N -0.0031 -0.0124 -0.0045 551 VAL 44 CA -0.0025 -0.0119 -0.0027 552 VAL 44 C -0.0013 -0.0106 -0.0039 553 VAL 44 O 0.0001 -0.0093 -0.0027 554 VAL 44 CB -0.0042 -0.0136 -0.0015 555 VAL 44 CG1 -0.0056 -0.0149 -0.0036 556 VAL 44 CG2 -0.0036 -0.0131 0.0000 557 VAL 44 H -0.0040 -0.0132 -0.0056 558 VAL 44 HA -0.0018 -0.0113 -0.0013 559 VAL 44 HB -0.0048 -0.0142 -0.0004 560 VAL 44 HG11 -0.0061 -0.0155 -0.0031 561 VAL 44 HG12 -0.0065 -0.0158 -0.0037 562 VAL 44 HG13 -0.0050 -0.0142 -0.0052 563 VAL 44 HG21 -0.0045 -0.0141 0.0011 564 VAL 44 HG22 -0.0033 -0.0128 -0.0012 565 VAL 44 HG23 -0.0025 -0.0120 0.0010 566 VAL 44 N -0.0031 -0.0124 -0.0045 567 VAL 44 CA -0.0026 -0.0120 -0.0027 568 VAL 44 C -0.0014 -0.0108 -0.0038 569 VAL 44 O -0.0003 -0.0098 -0.0024 570 VAL 44 CB -0.0043 -0.0137 -0.0014 571 VAL 44 CG1 -0.0053 -0.0148 0.0001 572 VAL 44 CG2 -0.0055 -0.0149 -0.0034 573 VAL 44 H -0.0040 -0.0132 -0.0057 574 VAL 44 HA -0.0019 -0.0114 -0.0013 575 VAL 44 HB -0.0039 -0.0134 -0.0002 576 VAL 44 HG11 -0.0055 -0.0151 0.0018 577 VAL 44 HG12 -0.0046 -0.0142 0.0002 578 VAL 44 HG13 -0.0065 -0.0160 -0.0007 579 VAL 44 HG21 -0.0068 -0.0161 -0.0028 580 VAL 44 HG22 -0.0055 -0.0148 -0.0050 581 VAL 44 HG23 -0.0051 -0.0144 -0.0037 582 MET 45 N 0.0081 -0.0073 0.0022 583 MET 45 CA 0.0090 -0.0067 0.0018 584 MET 45 C 0.0088 -0.0095 0.0041 585 MET 45 O 0.0115 -0.0105 0.0049 586 MET 45 CB 0.0129 -0.0056 0.0007 587 MET 45 CG 0.0137 -0.0027 -0.0017 588 MET 45 SD 0.0123 0.0005 -0.0044 589 MET 45 CE 0.0156 0.0006 -0.0045 590 MET 45 H 0.0096 -0.0084 0.0032 591 MET 45 HA 0.0072 -0.0053 0.0006 592 MET 45 HB2 0.0147 -0.0070 0.0018 593 MET 45 HB3 0.0134 -0.0053 0.0005 594 MET 45 HG2 0.0123 -0.0027 -0.0017 595 MET 45 HG3 0.0163 -0.0026 -0.0019 596 MET 45 HE1 0.0151 0.0023 -0.0060 597 MET 45 HE2 0.0181 0.0006 -0.0046 598 MET 45 HE3 0.0153 -0.0011 -0.0031 599 GLY 46 N 0.0121 -0.0233 0.0191 600 GLY 46 CA 0.0115 -0.0236 0.0213 601 GLY 46 C 0.0092 -0.0236 0.0216 602 GLY 46 O 0.0084 -0.0238 0.0234 603 GLY 46 H 0.0116 -0.0232 0.0186 604 GLY 46 HA2 0.0125 -0.0237 0.0219 605 GLY 46 HA3 0.0116 -0.0237 0.0221 606 SER 47 N 0.0200 -0.0100 0.0175 607 SER 47 CA 0.0146 -0.0056 0.0169 608 SER 47 C 0.0107 -0.0076 0.0106 609 SER 47 O 0.0126 -0.0122 0.0071 610 SER 47 CB 0.0154 -0.0031 0.0207 611 SER 47 OG 0.0188 -0.0072 0.0194 612 SER 47 H 0.0210 -0.0131 0.0148 613 SER 47 HA 0.0127 -0.0029 0.0182 614 SER 47 HB2 0.0117 -0.0006 0.0198 615 SER 47 HB3 0.0173 -0.0014 0.0247 616 SER 47 HG 0.0214 -0.0068 0.0225 617 VAL 48 N 0.0041 -0.0024 0.0104 618 VAL 48 CA 0.0013 -0.0029 0.0064 619 VAL 48 C -0.0037 -0.0015 0.0063 620 VAL 48 O -0.0054 0.0002 0.0099 621 VAL 48 CB 0.0013 -0.0030 0.0062 622 VAL 48 CG1 0.0061 -0.0046 0.0055 623 VAL 48 CG2 -0.0006 -0.0010 0.0104 624 VAL 48 H 0.0027 -0.0012 0.0129 625 VAL 48 HA 0.0025 -0.0042 0.0036 626 VAL 48 HB -0.0007 -0.0033 0.0035 627 VAL 48 HG11 0.0060 -0.0046 0.0054 628 VAL 48 HG12 0.0071 -0.0059 0.0027 629 VAL 48 HG13 0.0082 -0.0044 0.0081 630 VAL 48 HG21 -0.0003 -0.0011 0.0104 631 VAL 48 HG22 0.0012 -0.0006 0.0132 632 VAL 48 HG23 -0.0039 -0.0001 0.0105 633 TRP 49 N -0.0038 0.0013 0.0049 634 TRP 49 CA -0.0084 0.0009 0.0044 635 TRP 49 C -0.0082 0.0008 0.0059 636 TRP 49 O -0.0054 0.0013 0.0042 637 TRP 49 CB -0.0100 0.0015 -0.0004 638 TRP 49 CG -0.0116 0.0015 -0.0020 639 TRP 49 CD1 -0.0095 0.0022 -0.0050 640 TRP 49 CD2 -0.0156 0.0009 -0.0006 641 TRP 49 NE1 -0.0120 0.0020 -0.0054 642 TRP 49 CE2 -0.0158 0.0013 -0.0029 643 TRP 49 CE3 -0.0191 0.0002 0.0022 644 TRP 49 CZ2 -0.0193 0.0008 -0.0024 645 TRP 49 CZ3 -0.0226 -0.0002 0.0027 646 TRP 49 CH2 -0.0227 0.0001 0.0005 647 TRP 49 H -0.0022 0.0018 0.0026 648 TRP 49 HA -0.0104 0.0005 0.0063 649 TRP 49 HB2 -0.0076 0.0020 -0.0024 650 TRP 49 HB3 -0.0126 0.0013 -0.0008 651 TRP 49 HD1 -0.0069 0.0027 -0.0065 652 TRP 49 HE1 -0.0112 0.0023 -0.0071 653 TRP 49 HE3 -0.0192 -0.0000 0.0037 654 TRP 49 HZ2 -0.0193 0.0010 -0.0038 655 TRP 49 HZ3 -0.0250 -0.0008 0.0046 656 TRP 49 HH2 -0.0251 -0.0002 0.0009 657 VAL 50 N -0.0098 0.0043 0.0077 658 VAL 50 CA -0.0088 0.0040 0.0075 659 VAL 50 C -0.0099 0.0050 0.0069 660 VAL 50 O -0.0116 0.0052 0.0074 661 VAL 50 CB -0.0087 0.0026 0.0090 662 VAL 50 CG1 -0.0076 0.0024 0.0088 663 VAL 50 CG2 -0.0077 0.0016 0.0098 664 VAL 50 H -0.0109 0.0041 0.0083 665 VAL 50 HA -0.0076 0.0042 0.0069 666 VAL 50 HB -0.0099 0.0025 0.0096 667 VAL 50 HG11 -0.0073 0.0014 0.0097 668 VAL 50 HG12 -0.0084 0.0029 0.0086 669 VAL 50 HG13 -0.0065 0.0026 0.0081 670 VAL 50 HG21 -0.0075 0.0007 0.0107 671 VAL 50 HG22 -0.0065 0.0017 0.0091 672 VAL 50 HG23 -0.0085 0.0017 0.0100 673 ILE 51 N -0.0046 0.0059 0.0059 674 ILE 51 CA -0.0044 0.0058 0.0060 675 ILE 51 C -0.0045 0.0059 0.0060 676 ILE 51 O -0.0048 0.0058 0.0061 677 ILE 51 CB -0.0043 0.0056 0.0064 678 ILE 51 CG1 -0.0042 0.0055 0.0065 679 ILE 51 CG2 -0.0040 0.0055 0.0065 680 ILE 51 CD1 -0.0046 0.0054 0.0067 681 ILE 51 H -0.0048 0.0059 0.0060 682 ILE 51 HA -0.0041 0.0058 0.0059 683 ILE 51 HB -0.0046 0.0055 0.0065 684 ILE 51 HG12 -0.0040 0.0054 0.0066 685 ILE 51 HG13 -0.0042 0.0056 0.0063 686 ILE 51 HG21 -0.0040 0.0053 0.0067 687 ILE 51 HG22 -0.0041 0.0055 0.0065 688 ILE 51 HG23 -0.0038 0.0055 0.0064 689 ILE 51 HD11 -0.0045 0.0054 0.0067 690 ILE 51 HD12 -0.0048 0.0055 0.0065 691 ILE 51 HD13 -0.0046 0.0053 0.0069 692 ARG 52 N -0.0102 0.0016 0.0029 693 ARG 52 CA -0.0093 0.0019 0.0007 694 ARG 52 C -0.0079 0.0035 0.0011 695 ARG 52 O -0.0071 0.0049 0.0025 696 ARG 52 CB -0.0086 0.0022 -0.0008 697 ARG 52 CG -0.0076 0.0025 -0.0032 698 ARG 52 CD -0.0068 0.0029 -0.0042 699 ARG 52 NE -0.0057 0.0033 -0.0065 700 ARG 52 CZ -0.0049 0.0038 -0.0077 701 ARG 52 NH1 -0.0051 0.0039 -0.0069 702 ARG 52 NH2 -0.0040 0.0041 -0.0097 703 ARG 52 H -0.0100 0.0020 0.0032 704 ARG 52 HA -0.0100 0.0009 -0.0000 705 ARG 52 HB2 -0.0095 0.0011 -0.0010 706 ARG 52 HB3 -0.0079 0.0032 -0.0000 707 ARG 52 HG2 -0.0067 0.0034 -0.0031 708 ARG 52 HG3 -0.0082 0.0014 -0.0041 709 ARG 52 HD2 -0.0077 0.0019 -0.0044 710 ARG 52 HD3 -0.0062 0.0039 -0.0032 711 ARG 52 HE -0.0056 0.0033 -0.0070 712 ARG 52 HH11 -0.0057 0.0036 -0.0056 713 ARG 52 HH12 -0.0046 0.0042 -0.0077 714 ARG 52 HH21 -0.0039 0.0041 -0.0102 715 ARG 52 HH22 -0.0035 0.0044 -0.0105 716 GLN 53 N -0.0103 0.0095 -0.0017 717 GLN 53 CA -0.0108 0.0096 -0.0025 718 GLN 53 C -0.0115 0.0096 -0.0020 719 GLN 53 O -0.0115 0.0096 -0.0012 720 GLN 53 CB -0.0102 0.0095 -0.0031 721 GLN 53 CG -0.0093 0.0094 -0.0033 722 GLN 53 CD -0.0095 0.0094 -0.0040 723 GLN 53 OE1 -0.0100 0.0095 -0.0046 724 GLN 53 NE2 -0.0090 0.0094 -0.0038 725 GLN 53 H -0.0099 0.0095 -0.0015 726 GLN 53 HA -0.0111 0.0096 -0.0028 727 GLN 53 HB2 -0.0100 0.0095 -0.0027 728 GLN 53 HB3 -0.0105 0.0095 -0.0036 729 GLN 53 HG2 -0.0090 0.0094 -0.0028 730 GLN 53 HG3 -0.0089 0.0094 -0.0036 731 GLN 53 HE21 -0.0087 0.0093 -0.0033 732 GLN 53 HE22 -0.0091 0.0094 -0.0041 733 LYS 54 N -0.0365 0.0054 -0.0071 734 LYS 54 CA -0.0215 -0.0019 -0.0100 735 LYS 54 C -0.0164 -0.0047 -0.0115 736 LYS 54 O -0.0054 -0.0121 -0.0164 737 LYS 54 CB -0.0100 0.0024 0.0006 738 LYS 54 CG -0.0096 0.0020 0.0002 739 LYS 54 CD -0.0010 0.0085 0.0126 740 LYS 54 CE -0.0083 0.0135 0.0158 741 LYS 54 NZ -0.0095 0.0061 0.0057 742 LYS 54 H -0.0367 0.0110 0.0002 743 LYS 54 HA -0.0217 -0.0078 -0.0179 744 LYS 54 HB2 -0.0125 0.0093 0.0086 745 LYS 54 HB3 -0.0001 -0.0013 -0.0000 746 LYS 54 HG2 -0.0046 -0.0048 -0.0065 747 LYS 54 HG3 -0.0198 0.0043 -0.0012 748 LYS 54 HD2 -0.0010 0.0137 0.0193 749 LYS 54 HD3 0.0093 0.0045 0.0117 750 LYS 54 HE2 -0.0183 0.0178 0.0172 751 LYS 54 HE3 -0.0023 0.0173 0.0235 752 LYS 54 HZ1 -0.0139 0.0093 0.0080 753 LYS 54 HZ2 -0.0004 0.0021 0.0044 754 LYS 54 HZ3 -0.0149 0.0025 -0.0014 755 ASP 55 N -0.0097 -0.0036 0.0010 756 ASP 55 CA -0.0015 -0.0027 0.0122 757 ASP 55 C -0.0057 -0.0018 0.0068 758 ASP 55 O 0.0000 0.0008 0.0151 759 ASP 55 CB 0.0038 0.0126 0.0234 760 ASP 55 CG -0.0033 0.0298 0.0183 761 ASP 55 OD1 -0.0131 0.0308 0.0054 762 ASP 55 OD2 0.0009 0.0425 0.0272 763 ASP 55 H -0.0135 0.0063 -0.0016 764 ASP 55 HA 0.0040 -0.0131 0.0169 765 ASP 55 HB2 0.0102 0.0115 0.0317 766 ASP 55 HB3 0.0056 0.0125 0.0258 767 ASP 56 N -0.0109 0.0045 -0.0141 768 ASP 56 CA -0.0123 0.0034 -0.0151 769 ASP 56 C -0.0149 0.0009 -0.0144 770 ASP 56 O -0.0163 -0.0002 -0.0154 771 ASP 56 CB -0.0122 0.0040 -0.0187 772 ASP 56 CG -0.0097 0.0063 -0.0194 773 ASP 56 OD1 -0.0084 0.0073 -0.0171 774 ASP 56 OD2 -0.0093 0.0071 -0.0223 775 ASP 56 H -0.0099 0.0052 -0.0124 776 ASP 56 HA -0.0116 0.0039 -0.0139 777 ASP 56 HB2 -0.0125 0.0039 -0.0200 778 ASP 56 HB3 -0.0134 0.0030 -0.0194 779 SER 57 N -0.0085 0.0085 -0.0066 780 SER 57 CA -0.0084 0.0084 -0.0066 781 SER 57 C -0.0100 0.0086 -0.0060 782 SER 57 O -0.0112 0.0091 -0.0057 783 SER 57 CB -0.0075 0.0097 -0.0075 784 SER 57 OG -0.0084 0.0113 -0.0077 785 SER 57 H -0.0082 0.0094 -0.0071 786 SER 57 HA -0.0078 0.0073 -0.0065 787 SER 57 HB2 -0.0074 0.0096 -0.0075 788 SER 57 HB3 -0.0065 0.0097 -0.0080 789 SER 57 HG -0.0079 0.0120 -0.0082 790 LEU 58 N 0.0004 0.0033 -0.0031 791 LEU 58 CA -0.0010 0.0033 -0.0014 792 LEU 58 C -0.0008 0.0034 -0.0017 793 LEU 58 O 0.0006 0.0027 -0.0030 794 LEU 58 CB -0.0014 0.0012 0.0002 795 LEU 58 CG -0.0016 0.0008 0.0007 796 LEU 58 CD1 -0.0003 -0.0014 0.0004 797 LEU 58 CD2 -0.0033 0.0009 0.0026 798 LEU 58 H 0.0013 0.0024 -0.0037 799 LEU 58 HA -0.0020 0.0046 -0.0010 800 LEU 58 HB2 -0.0005 -0.0001 -0.0002 801 LEU 58 HB3 -0.0024 0.0013 0.0013 802 LEU 58 HG -0.0015 0.0021 -0.0001 803 LEU 58 HD11 -0.0005 -0.0016 0.0007 804 LEU 58 HD12 0.0008 -0.0013 -0.0009 805 LEU 58 HD13 -0.0004 -0.0026 0.0012 806 LEU 58 HD21 -0.0034 0.0007 0.0028 807 LEU 58 HD22 -0.0035 -0.0003 0.0035 808 LEU 58 HD23 -0.0041 0.0023 0.0028 809 LYS 59 N -0.0050 0.0070 -0.0033 810 LYS 59 CA -0.0038 0.0038 -0.0023 811 LYS 59 C -0.0026 0.0031 0.0018 812 LYS 59 O -0.0029 0.0058 0.0043 813 LYS 59 CB -0.0041 0.0045 -0.0028 814 LYS 59 CG -0.0051 0.0044 -0.0070 815 LYS 59 CD -0.0058 0.0063 -0.0076 816 LYS 59 CE -0.0068 0.0066 -0.0118 817 LYS 59 NZ -0.0062 0.0036 -0.0133 818 LYS 59 H -0.0054 0.0091 -0.0020 819 LYS 59 HA -0.0035 0.0016 -0.0040 820 LYS 59 HB2 -0.0046 0.0069 -0.0016 821 LYS 59 HB3 -0.0033 0.0025 -0.0016 822 LYS 59 HG2 -0.0045 0.0018 -0.0080 823 LYS 59 HG3 -0.0058 0.0057 -0.0085 824 LYS 59 HD2 -0.0063 0.0089 -0.0064 825 LYS 59 HD3 -0.0051 0.0049 -0.0065 826 LYS 59 HE2 -0.0071 0.0064 -0.0133 827 LYS 59 HE3 -0.0076 0.0090 -0.0122 828 LYS 59 HZ1 -0.0060 0.0037 -0.0121 829 LYS 59 HZ2 -0.0055 0.0013 -0.0130 830 LYS 59 HZ3 -0.0069 0.0038 -0.0158 831 VAL 60 N -0.0008 -0.0006 -0.0001 832 VAL 60 CA -0.0005 -0.0011 0.0012 833 VAL 60 C 0.0003 -0.0014 0.0006 834 VAL 60 O 0.0013 -0.0018 -0.0003 835 VAL 60 CB 0.0004 -0.0018 0.0024 836 VAL 60 CG1 0.0007 -0.0022 0.0037 837 VAL 60 CG2 -0.0004 -0.0015 0.0031 838 VAL 60 H -0.0001 -0.0009 -0.0008 839 VAL 60 HA -0.0014 -0.0007 0.0018 840 VAL 60 HB 0.0012 -0.0021 0.0018 841 VAL 60 HG11 0.0010 -0.0026 0.0046 842 VAL 60 HG12 0.0015 -0.0026 0.0032 843 VAL 60 HG13 -0.0001 -0.0019 0.0040 844 VAL 60 HG21 0.0001 -0.0019 0.0039 845 VAL 60 HG22 -0.0014 -0.0011 0.0035 846 VAL 60 HG23 -0.0005 -0.0013 0.0023 847 PHE 61 N 0.0014 0.0000 -0.0008 848 PHE 61 CA 0.0014 -0.0000 -0.0007 849 PHE 61 C 0.0013 -0.0001 -0.0006 850 PHE 61 O 0.0013 -0.0001 -0.0005 851 PHE 61 CB 0.0014 0.0001 -0.0007 852 PHE 61 CG 0.0014 0.0002 -0.0007 853 PHE 61 CD1 0.0015 0.0002 -0.0008 854 PHE 61 CD2 0.0015 0.0003 -0.0008 855 PHE 61 CE1 0.0015 0.0003 -0.0009 856 PHE 61 CE2 0.0015 0.0004 -0.0009 857 PHE 61 CZ 0.0015 0.0004 -0.0009 858 PHE 61 H 0.0014 0.0000 -0.0007 859 PHE 61 HA 0.0014 -0.0001 -0.0007 860 PHE 61 HB2 0.0014 0.0002 -0.0006 861 PHE 61 HB3 0.0014 0.0001 -0.0006 862 PHE 61 HD1 0.0015 0.0001 -0.0008 863 PHE 61 HD2 0.0014 0.0003 -0.0007 864 PHE 61 HE1 0.0015 0.0002 -0.0009 865 PHE 61 HE2 0.0015 0.0005 -0.0009 866 PHE 61 HZ 0.0016 0.0004 -0.0010 867 SER 62 N 0.0069 -0.0021 -0.0073 868 SER 62 CA 0.0075 -0.0020 -0.0074 869 SER 62 C 0.0062 -0.0023 -0.0082 870 SER 62 O 0.0054 -0.0025 -0.0095 871 SER 62 CB 0.0092 -0.0016 -0.0083 872 SER 62 OG 0.0099 -0.0014 -0.0083 873 SER 62 H 0.0076 -0.0020 -0.0079 874 SER 62 HA 0.0077 -0.0019 -0.0062 875 SER 62 HB2 0.0100 -0.0014 -0.0078 876 SER 62 HB3 0.0091 -0.0016 -0.0095 877 SER 62 HG 0.0095 -0.0015 -0.0075 878 THR 63 N 0.0069 -0.0009 -0.0074 879 THR 63 CA 0.0040 -0.0006 -0.0087 880 THR 63 C 0.0060 -0.0002 -0.0120 881 THR 63 O 0.0037 0.0000 -0.0137 882 THR 63 CB 0.0026 -0.0011 -0.0046 883 THR 63 OG1 0.0065 -0.0015 -0.0026 884 THR 63 CG2 -0.0000 -0.0015 -0.0013 885 THR 63 H 0.0082 -0.0012 -0.0049 886 THR 63 HA 0.0013 -0.0004 -0.0100 887 THR 63 HB 0.0006 -0.0010 -0.0055 888 THR 63 HG1 0.0058 -0.0018 -0.0003 889 THR 63 HG21 -0.0008 -0.0019 0.0013 890 THR 63 HG22 -0.0028 -0.0013 -0.0026 891 THR 63 HG23 0.0017 -0.0017 -0.0004 892 ASN 64 N 0.0037 0.0033 -0.0123 893 ASN 64 CA 0.0030 0.0034 -0.0117 894 ASN 64 C 0.0032 0.0038 -0.0109 895 ASN 64 O 0.0033 0.0039 -0.0108 896 ASN 64 CB 0.0022 0.0031 -0.0119 897 ASN 64 CG 0.0014 0.0032 -0.0114 898 ASN 64 OD1 0.0011 0.0032 -0.0112 899 ASN 64 ND2 0.0009 0.0032 -0.0111 900 ASN 64 H 0.0036 0.0032 -0.0125 901 ASN 64 HA 0.0029 0.0034 -0.0116 902 ASN 64 HB2 0.0021 0.0029 -0.0125 903 ASN 64 HB3 0.0023 0.0031 -0.0120 904 ASN 64 HD21 0.0005 0.0032 -0.0108 905 ASN 64 HD22 0.0011 0.0032 -0.0113 906 ASN 64 N 0.0037 0.0033 -0.0123 907 ASN 64 CA 0.0030 0.0034 -0.0116 908 ASN 64 C 0.0033 0.0038 -0.0109 909 ASN 64 O 0.0035 0.0039 -0.0108 910 ASN 64 CB 0.0022 0.0032 -0.0118 911 ASN 64 CG 0.0018 0.0028 -0.0125 912 ASN 64 OD1 0.0019 0.0028 -0.0126 913 ASN 64 ND2 0.0012 0.0025 -0.0129 914 ASN 64 H 0.0036 0.0032 -0.0126 915 ASN 64 HA 0.0030 0.0035 -0.0116 916 ASN 64 HB2 0.0022 0.0031 -0.0120 917 ASN 64 HB3 0.0018 0.0033 -0.0113 918 ASN 64 HD21 0.0010 0.0023 -0.0133 919 ASN 64 HD22 0.0011 0.0025 -0.0128 920 CYS 65 N 0.0044 0.0030 -0.0119 921 CYS 65 CA 0.0047 0.0024 -0.0095 922 CYS 65 C 0.0023 0.0018 -0.0084 923 CYS 65 O 0.0008 0.0017 -0.0084 924 CYS 65 CB 0.0064 0.0021 -0.0081 925 CYS 65 SG 0.0070 0.0014 -0.0052 926 CYS 65 HA 0.0055 0.0025 -0.0096 927 CYS 65 HB2 0.0079 0.0025 -0.0088 928 CYS 65 HB3 0.0056 0.0020 -0.0080 929 CYS 65 H 0.0050 0.0031 -0.0121 930 CYS 65 H 0.0048 0.0031 -0.0121 931 PRO 66 N -0.0000 0.0050 -0.0059 932 PRO 66 CA -0.0031 0.0055 -0.0039 933 PRO 66 C -0.0033 0.0050 -0.0019 934 PRO 66 O -0.0060 0.0055 -0.0004 935 PRO 66 CB -0.0033 0.0048 -0.0016 936 PRO 66 CG 0.0002 0.0034 -0.0015 937 PRO 66 CD 0.0018 0.0039 -0.0048 938 PRO 66 HA -0.0048 0.0066 -0.0052 939 PRO 66 HB2 -0.0043 0.0045 0.0005 940 PRO 66 HB3 -0.0045 0.0056 -0.0025 941 PRO 66 HG2 0.0011 0.0025 0.0001 942 PRO 66 HG3 0.0003 0.0032 -0.0009 943 PRO 66 HD2 0.0040 0.0030 -0.0048 944 PRO 66 HD3 0.0016 0.0045 -0.0062 945 HIS 67 N -0.0028 0.0039 0.0166 946 HIS 67 CA -0.0027 0.0030 0.0185 947 HIS 67 C -0.0030 0.0017 0.0195 948 HIS 67 O -0.0037 -0.0000 0.0195 949 HIS 67 CB -0.0018 0.0045 0.0198 950 HIS 67 CG -0.0016 0.0036 0.0218 951 HIS 67 ND1 -0.0009 0.0044 0.0235 952 HIS 67 CD2 -0.0021 0.0021 0.0224 953 HIS 67 CE1 -0.0009 0.0034 0.0251 954 HIS 67 NE2 -0.0017 0.0020 0.0244 955 HIS 67 H -0.0023 0.0051 0.0166 956 HIS 67 HA -0.0031 0.0021 0.0183 957 HIS 67 HB2 -0.0017 0.0051 0.0191 958 HIS 67 HB3 -0.0014 0.0053 0.0200 959 HIS 67 HD2 -0.0026 0.0014 0.0215 960 HIS 67 HE1 -0.0005 0.0036 0.0264 961 HIS 67 HE2 -0.0018 0.0012 0.0251 962 LEU 68 N 0.0144 -0.0014 0.0378 963 LEU 68 CA 0.0052 -0.0183 0.0517 964 LEU 68 C -0.0049 -0.0518 0.0775 965 LEU 68 O -0.0241 -0.0652 0.0914 966 LEU 68 CB -0.0256 0.0017 0.0450 967 LEU 68 CG -0.0128 0.0307 0.0217 968 LEU 68 CD1 -0.0455 0.0491 0.0165 969 LEU 68 CD2 0.0202 0.0217 0.0203 970 LEU 68 H -0.0009 -0.0031 0.0426 971 LEU 68 HA 0.0275 -0.0215 0.0488 972 LEU 68 HB2 -0.0467 0.0093 0.0446 973 LEU 68 HB3 -0.0341 -0.0119 0.0564 974 LEU 68 HG -0.0039 0.0441 0.0103 975 LEU 68 HD11 -0.0368 0.0675 0.0016 976 LEU 68 HD12 -0.0657 0.0562 0.0162 977 LEU 68 HD13 -0.0545 0.0352 0.0283 978 LEU 68 HD21 0.0232 0.0400 0.0069 979 LEU 68 HD22 0.0146 0.0039 0.0340 980 LEU 68 HD23 0.0432 0.0156 0.0192 981 GLY 69 N -0.0004 -0.0024 0.0060 982 GLY 69 CA -0.0006 -0.0012 -0.0027 983 GLY 69 C 0.0065 0.0007 -0.0059 984 GLY 69 O 0.0061 0.0016 -0.0131 985 GLY 69 H 0.0017 -0.0021 0.0072 986 GLY 69 HA2 -0.0008 -0.0009 -0.0057 987 GLY 69 HA3 -0.0055 -0.0021 -0.0039 988 CYS 70 N 0.0218 -0.0112 0.0002 989 CYS 70 CA 0.0273 -0.0050 0.0003 990 CYS 70 C 0.0230 0.0011 -0.0033 991 CYS 70 O 0.0162 -0.0003 -0.0055 992 CYS 70 CB 0.0329 -0.0083 0.0036 993 CYS 70 SG 0.0399 -0.0138 0.0080 994 CYS 70 H 0.0220 -0.0159 0.0018 995 CYS 70 HA 0.0303 -0.0024 0.0006 996 CYS 70 HB2 0.0301 -0.0118 0.0036 997 CYS 70 HB3 0.0358 -0.0039 0.0033 998 GLY 71 N 0.0165 -0.0028 -0.0098 999 GLY 71 CA 0.0084 0.0033 -0.0087 1000 GLY 71 C 0.0013 0.0012 -0.0126 1001 GLY 71 O 0.0030 -0.0013 -0.0136 1002 GLY 71 H 0.0209 -0.0014 -0.0074 1003 GLY 71 HA2 0.0060 0.0038 -0.0092 1004 GLY 71 HA3 0.0099 0.0083 -0.0050 1005 ILE 72 N -0.0014 -0.0005 -0.0118 1006 ILE 72 CA -0.0030 -0.0010 -0.0123 1007 ILE 72 C -0.0050 -0.0027 -0.0107 1008 ILE 72 O -0.0046 -0.0035 -0.0084 1009 ILE 72 CB -0.0013 -0.0004 -0.0116 1010 ILE 72 CG1 0.0007 0.0013 -0.0134 1011 ILE 72 CG2 -0.0029 -0.0012 -0.0117 1012 ILE 72 CD1 0.0026 0.0020 -0.0127 1013 ILE 72 H -0.0002 -0.0003 -0.0105 1014 ILE 72 HA -0.0037 -0.0007 -0.0141 1015 ILE 72 HB -0.0004 -0.0007 -0.0099 1016 ILE 72 HG12 -0.0002 0.0016 -0.0152 1017 ILE 72 HG13 0.0016 0.0018 -0.0134 1018 ILE 72 HG21 -0.0018 -0.0008 -0.0115 1019 ILE 72 HG22 -0.0039 -0.0023 -0.0103 1020 ILE 72 HG23 -0.0040 -0.0011 -0.0134 1021 ILE 72 HD11 0.0035 0.0030 -0.0141 1022 ILE 72 HD12 0.0037 0.0019 -0.0111 1023 ILE 72 HD13 0.0017 0.0014 -0.0124 1024 ASP 73 N -0.0136 -0.0004 -0.0114 1025 ASP 73 CA -0.0157 -0.0031 -0.0103 1026 ASP 73 C -0.0140 -0.0027 -0.0101 1027 ASP 73 O -0.0125 0.0002 -0.0116 1028 ASP 73 CB -0.0204 -0.0027 -0.0116 1029 ASP 73 CG -0.0224 -0.0034 -0.0117 1030 ASP 73 OD1 -0.0213 -0.0057 -0.0100 1031 ASP 73 OD2 -0.0252 -0.0014 -0.0136 1032 ASP 73 H -0.0145 0.0017 -0.0129 1033 ASP 73 HA -0.0153 -0.0055 -0.0087 1034 ASP 73 HB2 -0.0207 -0.0003 -0.0132 1035 ASP 73 HB3 -0.0217 -0.0044 -0.0109 1036 TRP 74 N -0.0143 -0.0043 -0.0010 1037 TRP 74 CA -0.0113 -0.0032 -0.0010 1038 TRP 74 C -0.0125 -0.0024 -0.0007 1039 TRP 74 O -0.0142 -0.0045 -0.0010 1040 TRP 74 CB -0.0086 -0.0060 -0.0019 1041 TRP 74 CG -0.0055 -0.0051 -0.0020 1042 TRP 74 CD1 -0.0049 -0.0065 -0.0024 1043 TRP 74 CD2 -0.0028 -0.0026 -0.0016 1044 TRP 74 NE1 -0.0019 -0.0051 -0.0023 1045 TRP 74 CE2 -0.0006 -0.0026 -0.0018 1046 TRP 74 CE3 -0.0020 -0.0003 -0.0011 1047 TRP 74 CZ2 0.0024 -0.0005 -0.0016 1048 TRP 74 CZ3 0.0009 0.0018 -0.0009 1049 TRP 74 CH2 0.0031 0.0017 -0.0011 1050 TRP 74 H -0.0150 -0.0064 -0.0014 1051 TRP 74 HA -0.0102 -0.0011 -0.0006 1052 TRP 74 HB2 -0.0076 -0.0063 -0.0021 1053 TRP 74 HB3 -0.0097 -0.0081 -0.0023 1054 TRP 74 HD1 -0.0062 -0.0082 -0.0027 1055 TRP 74 HE1 -0.0009 -0.0056 -0.0026 1056 TRP 74 HE3 -0.0035 -0.0002 -0.0010 1057 TRP 74 HZ2 0.0039 -0.0006 -0.0018 1058 TRP 74 HZ3 0.0015 0.0033 -0.0006 1059 TRP 74 HH2 0.0051 0.0032 -0.0010 1060 ALA 75 N -0.0060 -0.0047 -0.0088 1061 ALA 75 CA -0.0065 -0.0039 -0.0085 1062 ALA 75 C -0.0045 -0.0039 -0.0088 1063 ALA 75 O -0.0030 -0.0026 -0.0086 1064 ALA 75 CB -0.0073 -0.0017 -0.0077 1065 ALA 75 H -0.0054 -0.0039 -0.0086 1066 ALA 75 HA -0.0076 -0.0048 -0.0085 1067 ALA 75 HB1 -0.0076 -0.0012 -0.0075 1068 ALA 75 HB2 -0.0086 -0.0018 -0.0076 1069 ALA 75 HB3 -0.0063 -0.0009 -0.0077 1070 ASN 76 N -0.0045 0.0176 0.0063 1071 ASN 76 CA -0.0086 0.0234 0.0019 1072 ASN 76 C -0.0141 0.0311 -0.0028 1073 ASN 76 O -0.0167 0.0354 -0.0092 1074 ASN 76 CB -0.0113 0.0253 0.0097 1075 ASN 76 CG -0.0079 0.0215 0.0079 1076 ASN 76 OD1 -0.0073 0.0223 -0.0006 1077 ASN 76 ND2 -0.0057 0.0172 0.0159 1078 ASN 76 H -0.0050 0.0169 0.0129 1079 ASN 76 HA -0.0058 0.0210 -0.0036 1080 ASN 76 HB2 -0.0107 0.0232 0.0165 1081 ASN 76 HB3 -0.0159 0.0310 0.0094 1082 ASN 76 HD21 -0.0061 0.0167 0.0216 1083 ASN 76 HD22 -0.0037 0.0149 0.0152 1084 ASP 77 N 0.0139 -0.0019 -0.0257 1085 ASP 77 CA 0.0281 0.0048 -0.0127 1086 ASP 77 C 0.0294 0.0123 0.0033 1087 ASP 77 O 0.0457 0.0152 0.0080 1088 ASP 77 CB 0.0240 0.0071 -0.0075 1089 ASP 77 CG 0.0034 0.0096 -0.0002 1090 ASP 77 OD1 -0.0097 0.0094 0.0007 1091 ASP 77 OD2 0.0000 0.0118 0.0048 1092 ASP 77 H 0.0029 -0.0024 -0.0258 1093 ASP 77 HA 0.0412 0.0028 -0.0183 1094 ASP 77 HB2 0.0333 0.0118 0.0017 1095 ASP 77 HB3 0.0260 0.0022 -0.0180 1096 VAL 78 N 0.0038 -0.0000 -0.0083 1097 VAL 78 CA 0.0040 0.0012 -0.0062 1098 VAL 78 C 0.0042 0.0013 -0.0059 1099 VAL 78 O 0.0046 0.0022 -0.0042 1100 VAL 78 CB 0.0022 0.0026 -0.0053 1101 VAL 78 CG1 0.0023 0.0026 -0.0053 1102 VAL 78 CG2 0.0000 0.0029 -0.0066 1103 VAL 78 H 0.0025 0.0001 -0.0089 1104 VAL 78 HA 0.0054 0.0011 -0.0054 1105 VAL 78 HB 0.0024 0.0034 -0.0040 1106 VAL 78 HG11 0.0011 0.0035 -0.0047 1107 VAL 78 HG12 0.0037 0.0025 -0.0045 1108 VAL 78 HG13 0.0021 0.0018 -0.0066 1109 VAL 78 HG21 -0.0011 0.0039 -0.0059 1110 VAL 78 HG22 -0.0002 0.0022 -0.0079 1111 VAL 78 HG23 0.0000 0.0028 -0.0067 1112 SER 79 N -0.0011 0.0050 -0.0023 1113 SER 79 CA 0.0003 0.0046 -0.0020 1114 SER 79 C 0.0032 0.0035 -0.0041 1115 SER 79 O 0.0036 0.0033 -0.0061 1116 SER 79 CB -0.0019 0.0052 -0.0028 1117 SER 79 OG -0.0041 0.0061 -0.0003 1118 SER 79 H -0.0015 0.0052 -0.0005 1119 SER 79 HA 0.0010 0.0045 0.0002 1120 SER 79 HB2 -0.0029 0.0055 -0.0048 1121 SER 79 HB3 -0.0007 0.0049 -0.0029 1122 SER 79 HG -0.0053 0.0065 -0.0007 1123 ARG 80 N 0.0091 -0.0066 -0.0082 1124 ARG 80 CA 0.0066 -0.0039 -0.0069 1125 ARG 80 C 0.0011 -0.0079 -0.0088 1126 ARG 80 O -0.0024 -0.0112 -0.0102 1127 ARG 80 CB 0.0037 0.0025 -0.0040 1128 ARG 80 CG 0.0083 0.0072 -0.0019 1129 ARG 80 CD 0.0144 0.0089 -0.0012 1130 ARG 80 NE 0.0176 0.0144 0.0013 1131 ARG 80 CZ 0.0237 0.0163 0.0022 1132 ARG 80 NH1 0.0275 0.0131 0.0007 1133 ARG 80 NH2 0.0261 0.0215 0.0045 1134 ARG 80 H 0.0059 -0.0080 -0.0088 1135 ARG 80 HA 0.0103 -0.0036 -0.0068 1136 ARG 80 HB2 -0.0003 0.0022 -0.0042 1137 ARG 80 HB3 0.0025 0.0042 -0.0032 1138 ARG 80 HG2 0.0099 0.0055 -0.0027 1139 ARG 80 HG3 0.0057 0.0109 -0.0002 1140 ARG 80 HD2 0.0129 0.0096 -0.0008 1141 ARG 80 HD3 0.0176 0.0055 -0.0027 1142 ARG 80 HE 0.0154 0.0166 0.0023 1143 ARG 80 HH11 0.0260 0.0098 -0.0008 1144 ARG 80 HH12 0.0315 0.0144 0.0013 1145 ARG 80 HH21 0.0237 0.0235 0.0055 1146 ARG 80 HH22 0.0301 0.0227 0.0051 1147 PHE 81 N -0.0008 -0.0032 -0.0068 1148 PHE 81 CA -0.0002 -0.0015 -0.0079 1149 PHE 81 C 0.0000 -0.0011 -0.0101 1150 PHE 81 O 0.0001 -0.0010 -0.0102 1151 PHE 81 CB 0.0004 0.0004 -0.0065 1152 PHE 81 CG 0.0003 0.0004 -0.0045 1153 PHE 81 CD1 0.0003 0.0004 -0.0047 1154 PHE 81 CD2 0.0002 0.0003 -0.0025 1155 PHE 81 CE1 0.0003 0.0004 -0.0029 1156 PHE 81 CE2 0.0001 0.0003 -0.0006 1157 PHE 81 CZ 0.0002 0.0003 -0.0008 1158 PHE 81 H -0.0007 -0.0028 -0.0059 1159 PHE 81 HA -0.0003 -0.0018 -0.0081 1160 PHE 81 HB2 0.0005 0.0006 -0.0060 1161 PHE 81 HB3 0.0008 0.0016 -0.0073 1162 PHE 81 HD1 0.0004 0.0004 -0.0060 1163 PHE 81 HD2 0.0002 0.0003 -0.0023 1164 PHE 81 HE1 0.0003 0.0004 -0.0030 1165 PHE 81 HE2 0.0001 0.0002 0.0007 1166 PHE 81 HZ 0.0001 0.0003 0.0004 1167 LEU 82 N -0.0052 -0.0009 -0.0118 1168 LEU 82 CA -0.0074 0.0009 -0.0125 1169 LEU 82 C -0.0085 0.0005 -0.0126 1170 LEU 82 O -0.0090 -0.0018 -0.0124 1171 LEU 82 CB -0.0096 0.0003 -0.0129 1172 LEU 82 CG -0.0089 0.0004 -0.0127 1173 LEU 82 CD1 -0.0114 -0.0001 -0.0132 1174 LEU 82 CD2 -0.0076 0.0031 -0.0128 1175 LEU 82 H -0.0056 -0.0026 -0.0116 1176 LEU 82 HA -0.0067 0.0027 -0.0126 1177 LEU 82 HB2 -0.0103 -0.0015 -0.0127 1178 LEU 82 HB3 -0.0110 0.0016 -0.0133 1179 LEU 82 HG -0.0077 -0.0010 -0.0123 1180 LEU 82 HD11 -0.0110 0.0000 -0.0131 1181 LEU 82 HD12 -0.0122 -0.0018 -0.0131 1182 LEU 82 HD13 -0.0127 0.0013 -0.0136 1183 LEU 82 HD21 -0.0074 0.0031 -0.0128 1184 LEU 82 HD22 -0.0088 0.0045 -0.0133 1185 LEU 82 HD23 -0.0060 0.0033 -0.0125 1186 CYS 83 N -0.0083 0.0037 -0.0198 1187 CYS 83 CA -0.0056 0.0018 -0.0175 1188 CYS 83 C -0.0070 0.0025 -0.0173 1189 CYS 83 O -0.0070 0.0031 -0.0207 1190 CYS 83 CB -0.0016 -0.0001 -0.0197 1191 CYS 83 SG 0.0017 -0.0024 -0.0167 1192 CYS 83 H -0.0084 0.0042 -0.0225 1193 CYS 83 HA -0.0055 0.0013 -0.0147 1194 CYS 83 HB2 -0.0006 -0.0006 -0.0199 1195 CYS 83 HB3 -0.0016 0.0004 -0.0226 1196 PRO 84 N -0.0081 0.0016 -0.0169 1197 PRO 84 CA -0.0131 0.0085 -0.0038 1198 PRO 84 C -0.0059 -0.0064 0.0019 1199 PRO 84 O -0.0094 -0.0015 0.0112 1200 PRO 84 CB -0.0184 0.0148 0.0163 1201 PRO 84 CG -0.0121 0.0024 0.0180 1202 PRO 84 CD -0.0080 -0.0010 -0.0047 1203 PRO 84 HA -0.0180 0.0194 -0.0111 1204 PRO 84 HB2 -0.0187 0.0128 0.0287 1205 PRO 84 HB3 -0.0252 0.0281 0.0147 1206 PRO 84 HG2 -0.0067 -0.0095 0.0255 1207 PRO 84 HG3 -0.0163 0.0088 0.0255 1208 PRO 84 HD2 -0.0012 -0.0138 -0.0058 1209 PRO 84 HD3 -0.0123 0.0082 -0.0095 1210 CYS 85 N 0.0152 -0.0017 0.0061 1211 CYS 85 CA 0.0257 -0.0134 0.0087 1212 CYS 85 C 0.0253 -0.0218 -0.0004 1213 CYS 85 O 0.0316 -0.0262 0.0039 1214 CYS 85 CB 0.0307 -0.0204 0.0085 1215 CYS 85 SG 0.0362 -0.0130 0.0234 1216 CYS 85 H 0.0126 -0.0014 0.0028 1217 CYS 85 HA 0.0303 -0.0111 0.0172 1218 CYS 85 HB2 0.0254 -0.0201 0.0015 1219 CYS 85 HB3 0.0365 -0.0292 0.0075 1220 HIS 86 N 0.0059 0.0090 0.0033 1221 HIS 86 CA 0.0038 -0.0141 -0.0054 1222 HIS 86 C -0.0178 -0.0150 -0.0132 1223 HIS 86 O -0.0273 -0.0324 -0.0225 1224 HIS 86 CB 0.0046 -0.0307 -0.0109 1225 HIS 86 CG 0.0230 -0.0278 -0.0035 1226 HIS 86 ND1 0.0195 -0.0145 -0.0001 1227 HIS 86 CD2 0.0452 -0.0356 0.0015 1228 HIS 86 CE1 0.0390 -0.0147 0.0066 1229 HIS 86 NE2 0.0547 -0.0272 0.0078 1230 HIS 86 H -0.0064 0.0163 0.0016 1231 HIS 86 HA 0.0165 -0.0190 -0.0027 1232 HIS 86 HB2 -0.0097 -0.0285 -0.0150 1233 HIS 86 HB3 0.0070 -0.0460 -0.0153 1234 HIS 86 HD2 0.0525 -0.0450 0.0008 1235 HIS 86 HE1 0.0412 -0.0072 0.0099 1236 HIS 86 HE2 0.0687 -0.0296 0.0118 1237 GLU 87 N -0.0175 -0.0040 -0.0319 1238 GLU 87 CA -0.0070 0.0082 -0.0364 1239 GLU 87 C -0.0124 0.0049 -0.0518 1240 GLU 87 O -0.0081 0.0094 -0.0511 1241 GLU 87 CB -0.0001 0.0126 -0.0179 1242 GLU 87 CG 0.0060 0.0167 -0.0022 1243 GLU 87 CD 0.0142 0.0227 0.0151 1244 GLU 87 OE1 0.0224 0.0322 0.0118 1245 GLU 87 OE2 0.0124 0.0180 0.0321 1246 GLU 87 H -0.0162 -0.0020 -0.0352 1247 GLU 87 HA -0.0002 0.0165 -0.0420 1248 GLU 87 HB2 -0.0067 0.0045 -0.0122 1249 GLU 87 HB3 0.0071 0.0210 -0.0215 1250 GLU 87 HG2 0.0119 0.0241 -0.0080 1251 GLU 87 HG3 -0.0012 0.0080 0.0028 1252 GLY 88 N -0.0061 0.0002 -0.0224 1253 GLY 88 CA -0.0061 0.0003 -0.0221 1254 GLY 88 C -0.0034 -0.0004 -0.0229 1255 GLY 88 O -0.0022 -0.0009 -0.0250 1256 GLY 88 H -0.0072 0.0003 -0.0237 1257 GLY 88 HA2 -0.0064 0.0006 -0.0202 1258 GLY 88 HA3 -0.0076 0.0004 -0.0232 1259 VAL 89 N 0.0019 -0.0004 -0.0114 1260 VAL 89 CA 0.0044 -0.0027 -0.0109 1261 VAL 89 C 0.0059 -0.0022 -0.0089 1262 VAL 89 O 0.0059 -0.0000 -0.0069 1263 VAL 89 CB 0.0059 -0.0032 -0.0098 1264 VAL 89 CG1 0.0085 -0.0058 -0.0094 1265 VAL 89 CG2 0.0045 -0.0035 -0.0115 1266 VAL 89 H 0.0019 0.0012 -0.0100 1267 VAL 89 HA 0.0043 -0.0043 -0.0125 1268 VAL 89 HB 0.0062 -0.0017 -0.0081 1269 VAL 89 HG11 0.0093 -0.0062 -0.0089 1270 VAL 89 HG12 0.0096 -0.0054 -0.0079 1271 VAL 89 HG13 0.0083 -0.0073 -0.0109 1272 VAL 89 HG21 0.0055 -0.0038 -0.0108 1273 VAL 89 HG22 0.0041 -0.0050 -0.0132 1274 VAL 89 HG23 0.0029 -0.0018 -0.0117 1275 PHE 90 N 0.0099 -0.0015 -0.0035 1276 PHE 90 CA 0.0108 -0.0015 -0.0029 1277 PHE 90 C 0.0132 -0.0030 -0.0030 1278 PHE 90 O 0.0137 -0.0043 -0.0044 1279 PHE 90 CB 0.0094 -0.0017 -0.0042 1280 PHE 90 CG 0.0070 -0.0006 -0.0045 1281 PHE 90 CD1 0.0057 -0.0010 -0.0060 1282 PHE 90 CD2 0.0060 0.0009 -0.0032 1283 PHE 90 CE1 0.0034 0.0001 -0.0063 1284 PHE 90 CE2 0.0038 0.0020 -0.0034 1285 PHE 90 CZ 0.0025 0.0016 -0.0050 1286 PHE 90 H 0.0101 -0.0025 -0.0047 1287 PHE 90 HA 0.0109 -0.0005 -0.0015 1288 PHE 90 HB2 0.0097 -0.0029 -0.0055 1289 PHE 90 HB3 0.0099 -0.0015 -0.0035 1290 PHE 90 HD1 0.0063 -0.0020 -0.0069 1291 PHE 90 HD2 0.0069 0.0012 -0.0022 1292 PHE 90 HE1 0.0025 -0.0002 -0.0073 1293 PHE 90 HE2 0.0031 0.0030 -0.0026 1294 PHE 90 HZ 0.0009 0.0023 -0.0051 1295 ASP 91 N 0.0135 0.0004 0.0010 1296 ASP 91 CA 0.0130 0.0008 0.0010 1297 ASP 91 C 0.0126 0.0020 0.0008 1298 ASP 91 O 0.0127 0.0025 0.0007 1299 ASP 91 CB 0.0121 -0.0000 0.0012 1300 ASP 91 CG 0.0110 -0.0000 0.0013 1301 ASP 91 OD1 0.0107 0.0008 0.0011 1302 ASP 91 OD2 0.0103 -0.0008 0.0015 1303 ASP 91 H 0.0131 -0.0001 0.0012 1304 ASP 91 HA 0.0136 0.0008 0.0010 1305 ASP 91 HB2 0.0119 0.0002 0.0012 1306 ASP 91 HB3 0.0124 -0.0008 0.0013 1307 VAL 92 N 0.0092 0.0047 0.0086 1308 VAL 92 CA 0.0093 0.0042 0.0082 1309 VAL 92 C 0.0092 0.0056 0.0096 1310 VAL 92 O 0.0090 0.0056 0.0091 1311 VAL 92 CB 0.0104 0.0018 0.0084 1312 VAL 92 CG1 0.0114 0.0015 0.0108 1313 VAL 92 CG2 0.0104 0.0010 0.0073 1314 VAL 92 H 0.0098 0.0038 0.0092 1315 VAL 92 HA 0.0087 0.0043 0.0067 1316 VAL 92 HB 0.0105 0.0011 0.0077 1317 VAL 92 HG11 0.0121 0.0000 0.0109 1318 VAL 92 HG12 0.0113 0.0022 0.0115 1319 VAL 92 HG13 0.0114 0.0021 0.0114 1320 VAL 92 HG21 0.0111 -0.0005 0.0075 1321 VAL 92 HG22 0.0103 0.0017 0.0080 1322 VAL 92 HG23 0.0098 0.0011 0.0058 1323 ASN 93 N 0.0106 -0.0023 0.0105 1324 ASN 93 CA 0.0038 0.0055 0.0165 1325 ASN 93 C -0.0029 0.0143 0.0138 1326 ASN 93 O -0.0088 0.0210 0.0193 1327 ASN 93 CB 0.0043 0.0031 0.0296 1328 ASN 93 CG 0.0101 -0.0045 0.0332 1329 ASN 93 OD1 0.0110 -0.0051 0.0285 1330 ASN 93 ND2 0.0141 -0.0106 0.0413 1331 ASN 93 H 0.0124 -0.0051 0.0143 1332 ASN 93 HA 0.0031 0.0066 0.0140 1333 ASN 93 HB2 0.0055 0.0013 0.0319 1334 ASN 93 HB3 -0.0003 0.0085 0.0335 1335 ASN 93 HD21 0.0134 -0.0101 0.0442 1336 ASN 93 HD22 0.0174 -0.0151 0.0436 1337 GLY 94 N 0.0089 0.0038 0.0063 1338 GLY 94 CA 0.0095 0.0037 0.0062 1339 GLY 94 C 0.0095 0.0020 0.0066 1340 GLY 94 O 0.0100 0.0019 0.0065 1341 GLY 94 H 0.0097 0.0038 0.0062 1342 GLY 94 HA2 0.0106 0.0041 0.0060 1343 GLY 94 HA3 0.0088 0.0045 0.0062 1344 LYS 95 N 0.0140 0.0088 0.0229 1345 LYS 95 CA 0.0173 -0.0012 0.0112 1346 LYS 95 C 0.0251 -0.0058 0.0053 1347 LYS 95 O 0.0205 -0.0049 0.0068 1348 LYS 95 CB 0.0032 -0.0074 0.0055 1349 LYS 95 CG 0.0058 -0.0178 -0.0065 1350 LYS 95 CD -0.0082 -0.0247 -0.0131 1351 LYS 95 CE -0.0050 -0.0354 -0.0255 1352 LYS 95 NZ 0.0110 -0.0371 -0.0289 1353 LYS 95 H 0.0050 0.0094 0.0244 1354 LYS 95 HA 0.0238 -0.0011 0.0108 1355 LYS 95 HB2 -0.0018 -0.0043 0.0096 1356 LYS 95 HB3 -0.0030 -0.0079 0.0056 1357 LYS 95 HG2 0.0132 -0.0204 -0.0101 1358 LYS 95 HG3 0.0091 -0.0176 -0.0066 1359 LYS 95 HD2 -0.0153 -0.0228 -0.0102 1360 LYS 95 HD3 -0.0124 -0.0243 -0.0122 1361 LYS 95 HE2 -0.0098 -0.0375 -0.0275 1362 LYS 95 HE3 -0.0090 -0.0394 -0.0297 1363 LYS 95 HZ1 0.0157 -0.0354 -0.0274 1364 LYS 95 HZ2 0.0122 -0.0434 -0.0362 1365 LYS 95 HZ3 0.0151 -0.0336 -0.0253 1366 THR 96 N 0.0151 -0.0114 0.0084 1367 THR 96 CA 0.0129 -0.0105 0.0065 1368 THR 96 C 0.0156 -0.0108 0.0095 1369 THR 96 O 0.0171 -0.0085 0.0138 1370 THR 96 CB 0.0089 -0.0056 0.0065 1371 THR 96 OG1 0.0068 -0.0047 0.0049 1372 THR 96 CG2 0.0062 -0.0054 0.0034 1373 THR 96 H 0.0141 -0.0090 0.0096 1374 THR 96 HA 0.0122 -0.0128 0.0032 1375 THR 96 HB 0.0095 -0.0033 0.0097 1376 THR 96 HG1 0.0046 -0.0020 0.0049 1377 THR 96 HG21 0.0032 -0.0030 0.0022 1378 THR 96 HG22 0.0069 -0.0046 0.0052 1379 THR 96 HG23 0.0065 -0.0083 0.0007 1380 ILE 97 N 0.0123 -0.0068 0.0099 1381 ILE 97 CA 0.0146 -0.0063 0.0125 1382 ILE 97 C 0.0146 -0.0061 0.0149 1383 ILE 97 O 0.0161 -0.0057 0.0175 1384 ILE 97 CB 0.0181 -0.0058 0.0112 1385 ILE 97 CG1 0.0194 -0.0057 0.0092 1386 ILE 97 CG2 0.0180 -0.0060 0.0091 1387 ILE 97 CD1 0.0228 -0.0052 0.0080 1388 ILE 97 H 0.0126 -0.0069 0.0087 1389 ILE 97 HA 0.0140 -0.0063 0.0137 1390 ILE 97 HB 0.0195 -0.0055 0.0130 1391 ILE 97 HG12 0.0180 -0.0061 0.0073 1392 ILE 97 HG13 0.0193 -0.0056 0.0105 1393 ILE 97 HG21 0.0202 -0.0056 0.0086 1394 ILE 97 HG22 0.0169 -0.0061 0.0103 1395 ILE 97 HG23 0.0168 -0.0063 0.0071 1396 ILE 97 HD11 0.0236 -0.0052 0.0070 1397 ILE 97 HD12 0.0242 -0.0049 0.0098 1398 ILE 97 HD13 0.0229 -0.0053 0.0063 1399 SER 98 N 0.0118 -0.0003 0.0028 1400 SER 98 C -0.0031 0.0053 -0.0048 1401 SER 98 O -0.0046 0.0020 -0.0104 1402 SER 98 CA 0.0063 0.0033 0.0021 1403 SER 98 CB 0.0105 -0.0015 -0.0000 1404 SER 98 OG 0.0099 -0.0081 -0.0091 1405 SER 98 H 0.0097 -0.0021 -0.0016 1406 SER 98 HA 0.0058 0.0082 0.0078 1407 SER 98 HB2 0.0074 0.0017 0.0010 1408 SER 98 HB3 0.0168 -0.0034 0.0039 1409 SER 98 HG 0.0045 -0.0066 -0.0125 1410 SER 98 CA 0.0065 0.0029 0.0017 1411 SER 98 CB 0.0106 -0.0030 -0.0018 1412 SER 98 OG 0.0068 0.0007 -0.0008 1413 SER 98 H 0.0096 -0.0019 -0.0014 1414 SER 98 HA 0.0062 0.0076 0.0074 1415 SER 98 HB2 0.0170 -0.0053 0.0016 1416 SER 98 HB3 0.0094 -0.0069 -0.0081 1417 SER 98 HG 0.0012 0.0037 -0.0026 1418 GLY 99 N -0.0109 0.0104 -0.0081 1419 GLY 99 CA -0.0190 0.0094 -0.0105 1420 GLY 99 C -0.0214 0.0124 -0.0090 1421 GLY 99 O -0.0167 0.0154 -0.0059 1422 GLY 99 H -0.0105 0.0142 -0.0054 1423 GLY 99 HA2 -0.0228 0.0116 -0.0098 1424 GLY 99 HA3 -0.0195 0.0046 -0.0140 1425 PRO 100 N -0.0259 -0.0023 -0.0093 1426 PRO 100 CA -0.0211 0.0019 -0.0102 1427 PRO 100 C -0.0146 -0.0006 -0.0065 1428 PRO 100 O -0.0107 0.0026 -0.0071 1429 PRO 100 CB -0.0259 0.0025 -0.0123 1430 PRO 100 CG -0.0307 -0.0037 -0.0101 1431 PRO 100 CD -0.0322 -0.0055 -0.0095 1432 PRO 100 HA -0.0197 0.0060 -0.0122 1433 PRO 100 HB2 -0.0231 0.0033 -0.0118 1434 PRO 100 HB3 -0.0286 0.0059 -0.0153 1435 PRO 100 HG2 -0.0283 -0.0068 -0.0074 1436 PRO 100 HG3 -0.0349 -0.0033 -0.0118 1437 PRO 100 HD2 -0.0328 -0.0101 -0.0070 1438 PRO 100 HD3 -0.0364 -0.0040 -0.0119 1439 ALA 101 N -0.0151 0.0082 -0.0064 1440 ALA 101 CA -0.0131 0.0082 -0.0044 1441 ALA 101 C -0.0108 0.0106 -0.0031 1442 ALA 101 O -0.0103 0.0106 -0.0026 1443 ALA 101 CB -0.0128 0.0050 -0.0025 1444 ALA 101 H -0.0158 0.0064 -0.0063 1445 ALA 101 HA -0.0134 0.0089 -0.0050 1446 ALA 101 HB1 -0.0114 0.0052 -0.0011 1447 ALA 101 HB2 -0.0142 0.0036 -0.0033 1448 ALA 101 HB3 -0.0124 0.0043 -0.0018 1449 PRO 102 N -0.0126 0.0032 -0.0161 1450 PRO 102 CA -0.0029 0.0032 -0.0287 1451 PRO 102 C -0.0079 0.0034 -0.0172 1452 PRO 102 O -0.0004 0.0034 -0.0265 1453 PRO 102 CB 0.0235 0.0046 -0.0284 1454 PRO 102 CG 0.0264 0.0059 -0.0053 1455 PRO 102 CD 0.0058 0.0049 -0.0032 1456 PRO 102 HA -0.0085 0.0021 -0.0447 1457 PRO 102 HB2 0.0323 0.0051 -0.0292 1458 PRO 102 HB3 0.0279 0.0043 -0.0414 1459 PRO 102 HG2 0.0265 0.0065 0.0072 1460 PRO 102 HG3 0.0409 0.0067 -0.0053 1461 PRO 102 HD2 0.0014 0.0054 0.0130 1462 PRO 102 HD3 0.0089 0.0047 -0.0104 1463 ARG 103 N -0.0182 0.0145 0.0297 1464 ARG 103 CA -0.0120 0.0095 0.0368 1465 ARG 103 C -0.0058 -0.0042 0.0283 1466 ARG 103 O -0.0074 -0.0085 0.0165 1467 ARG 103 CB -0.0178 0.0180 0.0369 1468 ARG 103 CG -0.0257 0.0209 0.0220 1469 ARG 103 CD -0.0280 0.0235 0.0209 1470 ARG 103 NE -0.0198 0.0119 0.0212 1471 ARG 103 CZ -0.0184 0.0118 0.0245 1472 ARG 103 NH1 -0.0249 0.0227 0.0274 1473 ARG 103 NH2 -0.0106 0.0005 0.0244 1474 ARG 103 H -0.0187 0.0101 0.0209 1475 ARG 103 HA -0.0079 0.0093 0.0469 1476 ARG 103 HB2 -0.0135 0.0136 0.0401 1477 ARG 103 HB3 -0.0209 0.0262 0.0437 1478 ARG 103 HG2 -0.0316 0.0286 0.0207 1479 ARG 103 HG3 -0.0236 0.0135 0.0143 1480 ARG 103 HD2 -0.0294 0.0303 0.0292 1481 ARG 103 HD3 -0.0334 0.0262 0.0118 1482 ARG 103 HE -0.0155 0.0045 0.0192 1483 ARG 103 HH11 -0.0300 0.0300 0.0271 1484 ARG 103 HH12 -0.0238 0.0224 0.0295 1485 ARG 103 HH21 -0.0065 -0.0066 0.0223 1486 ARG 103 HH22 -0.0096 0.0002 0.0265 1487 GLY 104 N 0.0037 0.0002 0.0148 1488 GLY 104 CA 0.0068 -0.0033 0.0114 1489 GLY 104 C 0.0047 -0.0039 0.0064 1490 GLY 104 O 0.0007 -0.0016 0.0053 1491 GLY 104 H 0.0039 0.0009 0.0169 1492 GLY 104 HA2 0.0078 -0.0043 0.0108 1493 GLY 104 HA3 0.0092 -0.0044 0.0130 1494 MET 105 N 0.0040 0.0002 0.0001 1495 MET 105 CA 0.0038 0.0001 -0.0010 1496 MET 105 C 0.0031 0.0003 -0.0013 1497 MET 105 O 0.0032 0.0003 -0.0008 1498 MET 105 CB 0.0047 -0.0003 -0.0017 1499 MET 105 CG 0.0052 -0.0004 -0.0016 1500 MET 105 SD 0.0065 -0.0009 -0.0021 1501 MET 105 CE 0.0062 -0.0009 -0.0034 1502 MET 105 H 0.0047 -0.0000 0.0002 1503 MET 105 HA 0.0034 0.0002 -0.0012 1504 MET 105 HB2 0.0052 -0.0004 -0.0014 1505 MET 105 HB3 0.0045 -0.0003 -0.0024 1506 MET 105 HG2 0.0048 -0.0003 -0.0020 1507 MET 105 HG3 0.0052 -0.0003 -0.0009 1508 MET 105 HE1 0.0069 -0.0012 -0.0037 1509 MET 105 HE2 0.0060 -0.0009 -0.0034 1510 MET 105 HE3 0.0058 -0.0008 -0.0037 1511 TYR 106 N 0.0063 -0.0068 -0.0030 1512 TYR 106 CA 0.0027 -0.0047 -0.0038 1513 TYR 106 C 0.0057 -0.0068 -0.0060 1514 TYR 106 O 0.0084 -0.0088 -0.0105 1515 TYR 106 CB -0.0017 -0.0026 -0.0086 1516 TYR 106 CG -0.0049 -0.0006 -0.0071 1517 TYR 106 CD1 -0.0085 0.0020 -0.0026 1518 TYR 106 CD2 -0.0045 -0.0011 -0.0103 1519 TYR 106 CE1 -0.0115 0.0040 -0.0011 1520 TYR 106 CE2 -0.0076 0.0008 -0.0089 1521 TYR 106 CZ -0.0110 0.0034 -0.0044 1522 TYR 106 OH -0.0140 0.0053 -0.0030 1523 TYR 106 H 0.0061 -0.0070 -0.0059 1524 TYR 106 HA 0.0011 -0.0034 -0.0000 1525 TYR 106 HB2 -0.0001 -0.0040 -0.0124 1526 TYR 106 HB3 -0.0041 -0.0012 -0.0091 1527 TYR 106 HD1 -0.0088 0.0025 -0.0005 1528 TYR 106 HD2 -0.0022 -0.0028 -0.0134 1529 TYR 106 HE1 -0.0138 0.0056 0.0020 1530 TYR 106 HE2 -0.0072 0.0004 -0.0111 1531 TYR 106 HH -0.0139 0.0056 0.0007 1532 SER 107 N 0.0040 -0.0083 -0.0018 1533 SER 107 CA 0.0025 -0.0064 -0.0023 1534 SER 107 C 0.0003 -0.0040 -0.0030 1535 SER 107 O -0.0019 -0.0047 -0.0026 1536 SER 107 CB 0.0007 -0.0084 -0.0015 1537 SER 107 OG -0.0019 -0.0098 -0.0009 1538 SER 107 H 0.0027 -0.0093 -0.0013 1539 SER 107 HA 0.0042 -0.0054 -0.0028 1540 SER 107 HB2 -0.0002 -0.0071 -0.0019 1541 SER 107 HB3 0.0021 -0.0100 -0.0011 1542 SER 107 HG -0.0033 -0.0085 -0.0012 1543 SER 107 N 0.0040 -0.0083 -0.0018 1544 SER 107 CA 0.0023 -0.0065 -0.0023 1545 SER 107 C 0.0004 -0.0039 -0.0031 1546 SER 107 O -0.0011 -0.0043 -0.0028 1547 SER 107 CB -0.0001 -0.0086 -0.0014 1548 SER 107 OG -0.0017 -0.0070 -0.0018 1549 SER 107 H 0.0027 -0.0094 -0.0013 1550 SER 107 HA 0.0038 -0.0057 -0.0027 1551 SER 107 HB2 0.0011 -0.0103 -0.0009 1552 SER 107 HB3 -0.0017 -0.0092 -0.0011 1553 SER 107 HG -0.0028 -0.0056 -0.0023 1554 TYR 108 N 0.0015 -0.0055 -0.0017 1555 TYR 108 CA 0.0009 -0.0038 -0.0016 1556 TYR 108 C -0.0008 -0.0036 -0.0009 1557 TYR 108 O -0.0013 -0.0041 -0.0007 1558 TYR 108 CB 0.0018 -0.0025 -0.0020 1559 TYR 108 CG 0.0034 -0.0021 -0.0026 1560 TYR 108 CD1 0.0046 -0.0033 -0.0031 1561 TYR 108 CD2 0.0037 -0.0006 -0.0028 1562 TYR 108 CE1 0.0060 -0.0030 -0.0037 1563 TYR 108 CE2 0.0051 -0.0002 -0.0034 1564 TYR 108 CZ 0.0063 -0.0014 -0.0038 1565 TYR 108 OH 0.0077 -0.0011 -0.0044 1566 TYR 108 H 0.0017 -0.0057 -0.0018 1567 TYR 108 HA 0.0009 -0.0036 -0.0016 1568 TYR 108 HB2 0.0019 -0.0029 -0.0020 1569 TYR 108 HB3 0.0012 -0.0015 -0.0018 1570 TYR 108 HD1 0.0044 -0.0044 -0.0030 1571 TYR 108 HD2 0.0029 0.0002 -0.0025 1572 TYR 108 HE1 0.0068 -0.0038 -0.0040 1573 TYR 108 HE2 0.0053 0.0008 -0.0035 1574 TYR 108 HH 0.0080 -0.0001 -0.0046 1575 ARG 109 N -0.0039 0.0012 0.0085 1576 ARG 109 CA -0.0010 -0.0002 0.0093 1577 ARG 109 C 0.0010 -0.0040 0.0048 1578 ARG 109 O -0.0017 -0.0047 0.0005 1579 ARG 109 CB -0.0043 0.0023 0.0100 1580 ARG 109 CG -0.0019 0.0011 0.0106 1581 ARG 109 CD -0.0054 0.0037 0.0113 1582 ARG 109 NE -0.0030 0.0028 0.0123 1583 ARG 109 CZ -0.0049 0.0028 0.0102 1584 ARG 109 NH1 -0.0093 0.0038 0.0070 1585 ARG 109 NH2 -0.0024 0.0019 0.0114 1586 ARG 109 H -0.0069 0.0031 0.0085 1587 ARG 109 HA 0.0017 -0.0002 0.0123 1588 ARG 109 HB2 -0.0054 0.0046 0.0129 1589 ARG 109 HB3 -0.0070 0.0024 0.0071 1590 ARG 109 HG2 -0.0009 -0.0012 0.0076 1591 ARG 109 HG3 0.0009 0.0010 0.0134 1592 ARG 109 HD2 -0.0066 0.0061 0.0142 1593 ARG 109 HD3 -0.0081 0.0037 0.0083 1594 ARG 109 HE -0.0002 0.0021 0.0143 1595 ARG 109 HH11 -0.0109 0.0044 0.0063 1596 ARG 109 HH12 -0.0105 0.0038 0.0057 1597 ARG 109 HH21 0.0004 0.0013 0.0135 1598 ARG 109 HH22 -0.0037 0.0019 0.0101 1599 THR 110 N 0.0065 -0.0050 0.0037 1600 THR 110 CA 0.0067 -0.0067 0.0032 1601 THR 110 C 0.0081 -0.0075 0.0038 1602 THR 110 O 0.0091 -0.0068 0.0048 1603 THR 110 CB 0.0066 -0.0072 0.0029 1604 THR 110 OG1 0.0053 -0.0063 0.0023 1605 THR 110 CG2 0.0067 -0.0089 0.0022 1606 THR 110 H 0.0072 -0.0046 0.0044 1607 THR 110 HA 0.0060 -0.0070 0.0025 1608 THR 110 HB 0.0074 -0.0069 0.0035 1609 THR 110 HG1 0.0052 -0.0066 0.0022 1610 THR 110 HG21 0.0065 -0.0092 0.0019 1611 THR 110 HG22 0.0076 -0.0095 0.0026 1612 THR 110 HG23 0.0060 -0.0092 0.0016 1613 THR 110 N 0.0065 -0.0050 0.0037 1614 THR 110 CA 0.0067 -0.0067 0.0032 1615 THR 110 C 0.0081 -0.0075 0.0038 1616 THR 110 O 0.0091 -0.0068 0.0048 1617 THR 110 CB 0.0066 -0.0072 0.0029 1618 THR 110 OG1 0.0077 -0.0067 0.0039 1619 THR 110 CG2 0.0052 -0.0064 0.0022 1620 THR 110 H 0.0072 -0.0046 0.0044 1621 THR 110 HA 0.0060 -0.0070 0.0025 1622 THR 110 HB 0.0067 -0.0083 0.0025 1623 THR 110 HG1 0.0076 -0.0069 0.0037 1624 THR 110 HG21 0.0054 -0.0060 0.0025 1625 THR 110 HG22 0.0047 -0.0072 0.0015 1626 THR 110 HG23 0.0047 -0.0056 0.0022 1627 LYS 111 N 0.0090 -0.0100 0.0031 1628 LYS 111 CA 0.0092 -0.0103 0.0034 1629 LYS 111 C 0.0110 -0.0108 0.0011 1630 LYS 111 O 0.0116 -0.0106 -0.0010 1631 LYS 111 CB 0.0069 -0.0087 0.0035 1632 LYS 111 CG 0.0061 -0.0072 0.0008 1633 LYS 111 CD 0.0038 -0.0056 0.0010 1634 LYS 111 CE 0.0029 -0.0041 -0.0016 1635 LYS 111 NZ 0.0007 -0.0025 -0.0016 1636 LYS 111 H 0.0091 -0.0096 0.0015 1637 LYS 111 HA 0.0097 -0.0112 0.0052 1638 LYS 111 HB2 0.0071 -0.0090 0.0040 1639 LYS 111 HB3 0.0057 -0.0082 0.0048 1640 LYS 111 HG2 0.0058 -0.0068 0.0003 1641 LYS 111 HG3 0.0072 -0.0075 -0.0006 1642 LYS 111 HD2 0.0041 -0.0059 0.0015 1643 LYS 111 HD3 0.0027 -0.0052 0.0024 1644 LYS 111 HE2 0.0025 -0.0037 -0.0020 1645 LYS 111 HE3 0.0041 -0.0044 -0.0031 1646 LYS 111 HZ1 -0.0002 -0.0024 0.0000 1647 LYS 111 HZ2 -0.0000 -0.0016 -0.0029 1648 LYS 111 HZ3 0.0011 -0.0027 -0.0019 1649 VAL 112 N 0.0081 -0.0113 -0.0014 1650 VAL 112 CA 0.0083 -0.0099 -0.0013 1651 VAL 112 C 0.0073 -0.0092 -0.0016 1652 VAL 112 O 0.0062 -0.0094 -0.0020 1653 VAL 112 CB 0.0081 -0.0097 -0.0014 1654 VAL 112 CG1 0.0083 -0.0082 -0.0013 1655 VAL 112 CG2 0.0090 -0.0105 -0.0011 1656 VAL 112 H 0.0074 -0.0116 -0.0016 1657 VAL 112 HA 0.0091 -0.0097 -0.0010 1658 VAL 112 HB 0.0072 -0.0099 -0.0017 1659 VAL 112 HG11 0.0082 -0.0081 -0.0013 1660 VAL 112 HG12 0.0077 -0.0077 -0.0015 1661 VAL 112 HG13 0.0091 -0.0080 -0.0010 1662 VAL 112 HG21 0.0089 -0.0103 -0.0011 1663 VAL 112 HG22 0.0098 -0.0104 -0.0008 1664 VAL 112 HG23 0.0087 -0.0115 -0.0011 1665 GLU 113 N 0.0102 -0.0155 -0.0009 1666 GLU 113 CA 0.0018 -0.0046 0.0008 1667 GLU 113 C 0.0066 0.0014 -0.0050 1668 GLU 113 O 0.0153 0.0052 -0.0127 1669 GLU 113 CB -0.0015 0.0052 -0.0007 1670 GLU 113 CG -0.0090 0.0173 -0.0001 1671 GLU 113 CD -0.0119 0.0275 -0.0021 1672 GLU 113 OE1 -0.0154 0.0245 0.0016 1673 GLU 113 OE2 -0.0107 0.0383 -0.0073 1674 GLU 113 H 0.0166 -0.0138 -0.0061 1675 GLU 113 HA -0.0047 -0.0075 0.0066 1676 GLU 113 HB2 -0.0053 0.0017 0.0035 1677 GLU 113 HB3 0.0051 0.0074 -0.0063 1678 GLU 113 HG2 -0.0054 0.0206 -0.0040 1679 GLU 113 HG3 -0.0159 0.0153 0.0056 1680 ASN 114 N -0.0074 0.0096 -0.0262 1681 ASN 114 CA -0.0163 0.0357 -0.0055 1682 ASN 114 C -0.0204 0.0563 0.0213 1683 ASN 114 O -0.0167 0.0651 0.0523 1684 ASN 114 CB -0.0041 0.0226 0.0120 1685 ASN 114 CG -0.0008 0.0033 -0.0152 1686 ASN 114 OD1 -0.0131 0.0098 -0.0462 1687 ASN 114 ND2 0.0156 -0.0201 -0.0035 1688 ASN 114 H -0.0132 0.0086 -0.0490 1689 ASN 114 HA -0.0289 0.0501 -0.0217 1690 ASN 114 HB2 0.0086 0.0084 0.0290 1691 ASN 114 HB3 -0.0108 0.0406 0.0243 1692 ASN 114 HD21 0.0181 -0.0318 -0.0178 1693 ASN 114 HD22 0.0237 -0.0236 0.0184 1694 ASN 115 N 0.0081 0.0010 -0.0017 1695 ASN 115 CA 0.0094 -0.0007 -0.0030 1696 ASN 115 C 0.0147 -0.0008 -0.0044 1697 ASN 115 O 0.0162 -0.0018 -0.0053 1698 ASN 115 CB 0.0076 0.0017 -0.0011 1699 ASN 115 CG 0.0070 -0.0009 -0.0025 1700 ASN 115 OD1 0.0056 -0.0047 -0.0044 1701 ASN 115 ND2 0.0082 0.0010 -0.0017 1702 ASN 115 H 0.0067 -0.0009 -0.0024 1703 ASN 115 HA 0.0079 -0.0035 -0.0043 1704 ASN 115 HB2 0.0046 0.0026 0.0001 1705 ASN 115 HB3 0.0099 0.0041 -0.0003 1706 ASN 115 HD21 0.0093 0.0036 -0.0004 1707 ASN 115 HD22 0.0079 -0.0004 -0.0024 1708 ASN 115 N 0.0081 0.0010 -0.0017 1709 ASN 115 CA 0.0094 -0.0007 -0.0030 1710 ASN 115 C 0.0147 -0.0009 -0.0044 1711 ASN 115 O 0.0162 -0.0020 -0.0054 1712 ASN 115 CB 0.0076 0.0016 -0.0012 1713 ASN 115 CG 0.0023 0.0010 -0.0002 1714 ASN 115 OD1 0.0000 -0.0022 -0.0016 1715 ASN 115 ND2 0.0004 0.0041 0.0021 1716 ASN 115 H 0.0067 -0.0009 -0.0024 1717 ASN 115 HA 0.0079 -0.0036 -0.0043 1718 ASN 115 HB2 0.0086 0.0045 0.0003 1719 ASN 115 HB3 0.0089 0.0005 -0.0022 1720 ASN 115 HD21 0.0021 0.0063 0.0029 1721 ASN 115 HD22 -0.0026 0.0039 0.0027 1722 THR 116 N 0.0141 0.0010 -0.0030 1723 THR 116 CA 0.0169 0.0005 -0.0031 1724 THR 116 C 0.0166 -0.0028 -0.0024 1725 THR 116 O 0.0139 -0.0038 -0.0019 1726 THR 116 CB 0.0169 0.0030 -0.0036 1727 THR 116 OG1 0.0175 0.0060 -0.0043 1728 THR 116 CG2 0.0194 0.0023 -0.0037 1729 THR 116 H 0.0124 0.0015 -0.0029 1730 THR 116 HA 0.0189 0.0005 -0.0033 1731 THR 116 HB 0.0148 0.0031 -0.0035 1732 THR 116 HG1 0.0176 0.0074 -0.0046 1733 THR 116 HG21 0.0198 0.0041 -0.0041 1734 THR 116 HG22 0.0187 0.0006 -0.0033 1735 THR 116 HG23 0.0214 0.0016 -0.0037 1736 VAL 117 N 0.0089 -0.0051 0.0010 1737 VAL 117 CA 0.0089 -0.0049 0.0012 1738 VAL 117 C 0.0087 -0.0058 0.0014 1739 VAL 117 O 0.0083 -0.0061 0.0020 1740 VAL 117 CB 0.0085 -0.0041 0.0018 1741 VAL 117 CG1 0.0084 -0.0038 0.0019 1742 VAL 117 CG2 0.0087 -0.0032 0.0015 1743 VAL 117 H 0.0087 -0.0049 0.0014 1744 VAL 117 HA 0.0092 -0.0047 0.0007 1745 VAL 117 HB 0.0081 -0.0043 0.0023 1746 VAL 117 HG11 0.0082 -0.0033 0.0022 1747 VAL 117 HG12 0.0082 -0.0043 0.0022 1748 VAL 117 HG13 0.0087 -0.0037 0.0014 1749 VAL 117 HG21 0.0084 -0.0027 0.0018 1750 VAL 117 HG22 0.0090 -0.0030 0.0010 1751 VAL 117 HG23 0.0087 -0.0033 0.0015 1752 PHE 118 N 0.0115 -0.0047 -0.0015 1753 PHE 118 CA 0.0103 -0.0038 -0.0016 1754 PHE 118 C 0.0101 -0.0045 -0.0004 1755 PHE 118 O 0.0099 -0.0054 0.0010 1756 PHE 118 CB 0.0087 -0.0028 -0.0015 1757 PHE 118 CG 0.0086 -0.0018 -0.0028 1758 PHE 118 CD1 0.0084 -0.0007 -0.0041 1759 PHE 118 CD2 0.0089 -0.0020 -0.0028 1760 PHE 118 CE1 0.0083 0.0002 -0.0054 1761 PHE 118 CE2 0.0089 -0.0011 -0.0041 1762 PHE 118 CZ 0.0086 -0.0000 -0.0054 1763 PHE 118 H 0.0111 -0.0051 -0.0006 1764 PHE 118 HA 0.0108 -0.0033 -0.0027 1765 PHE 118 HB2 0.0084 -0.0033 -0.0005 1766 PHE 118 HB3 0.0079 -0.0024 -0.0014 1767 PHE 118 HD1 0.0082 -0.0006 -0.0042 1768 PHE 118 HD2 0.0091 -0.0028 -0.0020 1769 PHE 118 HE1 0.0081 0.0009 -0.0063 1770 PHE 118 HE2 0.0091 -0.0013 -0.0041 1771 PHE 118 HZ 0.0086 0.0006 -0.0063 1772 VAL 119 N 0.0021 -0.0028 -0.0009 1773 VAL 119 CA 0.0016 -0.0023 0.0002 1774 VAL 119 C 0.0002 -0.0019 0.0001 1775 VAL 119 O -0.0004 -0.0019 -0.0009 1776 VAL 119 CB 0.0017 -0.0024 0.0003 1777 VAL 119 CG1 0.0031 -0.0028 0.0005 1778 VAL 119 CG2 0.0012 -0.0024 -0.0008 1779 VAL 119 H 0.0018 -0.0028 -0.0016 1780 VAL 119 HA 0.0020 -0.0023 0.0009 1781 VAL 119 HB 0.0014 -0.0021 0.0010 1782 VAL 119 HG11 0.0032 -0.0028 0.0005 1783 VAL 119 HG12 0.0034 -0.0027 0.0012 1784 VAL 119 HG13 0.0035 -0.0031 -0.0002 1785 VAL 119 HG21 0.0014 -0.0025 -0.0008 1786 VAL 119 HG22 0.0015 -0.0027 -0.0016 1787 VAL 119 HG23 0.0003 -0.0021 -0.0008 1788 ASP 120 N -0.0013 0.0024 -0.0034 1789 ASP 120 CA -0.0023 0.0051 -0.0031 1790 ASP 120 C -0.0031 0.0063 -0.0044 1791 ASP 120 O -0.0030 0.0068 -0.0033 1792 ASP 120 CB -0.0020 0.0060 -0.0003 1793 ASP 120 CG -0.0030 0.0087 0.0001 1794 ASP 120 OD1 -0.0039 0.0099 -0.0018 1795 ASP 120 OD2 -0.0028 0.0097 0.0023 1796 ASP 120 H -0.0009 0.0020 -0.0023 1797 ASP 120 HA -0.0026 0.0054 -0.0040 1798 ASP 120 HB2 -0.0015 0.0052 0.0004 1799 ASP 120 HB3 -0.0016 0.0055 0.0005 1800 TYR 121 N -0.0030 0.0064 -0.0070 1801 TYR 121 CA -0.0033 0.0074 -0.0096 1802 TYR 121 C -0.0031 0.0106 -0.0092 1803 TYR 121 O -0.0033 0.0116 -0.0111 1804 TYR 121 CB -0.0035 0.0075 -0.0125 1805 TYR 121 CG -0.0035 0.0098 -0.0124 1806 TYR 121 CD1 -0.0034 0.0092 -0.0112 1807 TYR 121 CD2 -0.0035 0.0126 -0.0137 1808 TYR 121 CE1 -0.0033 0.0113 -0.0112 1809 TYR 121 CE2 -0.0035 0.0147 -0.0137 1810 TYR 121 CZ -0.0034 0.0141 -0.0125 1811 TYR 121 OH -0.0033 0.0163 -0.0125 1812 TYR 121 H -0.0030 0.0064 -0.0072 1813 TYR 121 HA -0.0033 0.0060 -0.0099 1814 TYR 121 HB2 -0.0037 0.0079 -0.0142 1815 TYR 121 HB3 -0.0036 0.0055 -0.0127 1816 TYR 121 HD1 -0.0033 0.0073 -0.0104 1817 TYR 121 HD2 -0.0036 0.0130 -0.0146 1818 TYR 121 HE1 -0.0032 0.0109 -0.0103 1819 TYR 121 HE2 -0.0035 0.0166 -0.0145 1820 TYR 121 HH -0.0034 0.0179 -0.0132 1821 ALA 122 N -0.0052 0.0129 -0.0045 1822 ALA 122 CA -0.0044 0.0181 -0.0037 1823 ALA 122 C -0.0001 0.0235 -0.0018 1824 ALA 122 O 0.0012 0.0281 -0.0009 1825 ALA 122 CB -0.0018 0.0151 -0.0033 1826 ALA 122 H -0.0023 0.0098 -0.0040 1827 ALA 122 HA -0.0085 0.0201 -0.0046 1828 ALA 122 HB1 -0.0020 0.0184 -0.0030 1829 ALA 122 HB2 -0.0045 0.0114 -0.0045 1830 ALA 122 HB3 0.0025 0.0135 -0.0023 1831 ALA 123 N -0.0130 0.0210 0.0013 1832 ALA 123 CA -0.0117 0.0205 0.0062 1833 ALA 123 C -0.0105 0.0169 0.0051 1834 ALA 123 O -0.0084 0.0127 0.0068 1835 ALA 123 CB -0.0100 0.0185 0.0103 1836 ALA 123 H -0.0123 0.0182 -0.0004 1837 ALA 123 HA -0.0128 0.0237 0.0074 1838 ALA 123 HB1 -0.0098 0.0198 0.0138 1839 ALA 123 HB2 -0.0106 0.0195 0.0097 1840 ALA 123 HB3 -0.0086 0.0149 0.0101 1841 ILE 124 N -0.0055 0.0097 0.0039 1842 ILE 124 CA -0.0038 0.0048 0.0018 1843 ILE 124 C -0.0045 0.0035 0.0041 1844 ILE 124 O -0.0053 0.0070 0.0047 1845 ILE 124 CB -0.0017 0.0054 -0.0040 1846 ILE 124 CG1 -0.0010 0.0066 -0.0062 1847 ILE 124 CG2 0.0000 0.0004 -0.0061 1848 ILE 124 CD1 0.0005 0.0093 -0.0115 1849 ILE 124 H -0.0054 0.0126 0.0024 1850 ILE 124 HA -0.0036 0.0019 0.0027 1851 ILE 124 HB -0.0018 0.0084 -0.0050 1852 ILE 124 HG12 -0.0003 0.0032 -0.0064 1853 ILE 124 HG13 -0.0023 0.0089 -0.0040 1854 ILE 124 HG21 0.0014 0.0005 -0.0097 1855 ILE 124 HG22 -0.0002 0.0004 -0.0054 1856 ILE 124 HG23 -0.0001 -0.0027 -0.0044 1857 ILE 124 HD11 0.0009 0.0099 -0.0126 1858 ILE 124 HD12 -0.0001 0.0127 -0.0114 1859 ILE 124 HD13 0.0018 0.0071 -0.0138 1860 THR 125 N 0.0049 0.0183 0.0121 1861 THR 125 CA -0.0052 -0.0118 -0.0018 1862 THR 125 C 0.0094 -0.0411 -0.0317 1863 THR 125 O 0.0094 -0.0499 -0.0377 1864 THR 125 CB -0.0463 -0.0273 0.0151 1865 THR 125 OG1 -0.0605 -0.0024 0.0417 1866 THR 125 CG2 -0.0579 -0.0622 -0.0012 1867 THR 125 OXT 0.0212 -0.0570 -0.0506 1868 THR 125 H -0.0050 0.0135 0.0155 1869 THR 125 HA 0.0043 -0.0045 -0.0031 1870 THR 125 HB -0.0557 -0.0319 0.0182 1871 THR 125 HG1 -0.0480 0.0185 0.0477 1872 THR 125 HG21 -0.0822 -0.0669 0.0119 1873 THR 125 HG22 -0.0572 -0.0815 -0.0149 1874 THR 125 HG23 -0.0419 -0.0610 -0.0111