1 ALA 8 N 0.0241 -0.0001 0.0053 2 ALA 8 CA 0.0362 0.0088 0.0134 3 ALA 8 C 0.0274 -0.0007 0.0141 4 ALA 8 O 0.0367 0.0038 0.0250 5 ALA 8 CB 0.0505 0.0300 -0.0008 6 ALA 8 HA 0.0425 0.0077 0.0297 7 ALA 8 HB1 0.0584 0.0356 0.0048 8 ALA 8 HB2 0.0574 0.0360 0.0017 9 ALA 8 HB3 0.0442 0.0311 -0.0174 10 ASP 9 N -0.0076 -0.0091 -0.0025 11 ASP 9 CA -0.0095 -0.0117 -0.0020 12 ASP 9 C -0.0122 -0.0141 -0.0025 13 ASP 9 O -0.0146 -0.0138 -0.0050 14 ASP 9 CB -0.0103 -0.0106 -0.0039 15 ASP 9 CG -0.0115 -0.0131 -0.0027 16 ASP 9 OD1 -0.0106 -0.0150 0.0000 17 ASP 9 OD2 -0.0134 -0.0132 -0.0045 18 ASP 9 H -0.0085 -0.0088 -0.0038 19 ASP 9 HA -0.0082 -0.0126 0.0001 20 ASP 9 HB2 -0.0085 -0.0088 -0.0038 21 ASP 9 HB3 -0.0119 -0.0100 -0.0059 22 PHE 10 N -0.0057 -0.0183 -0.0005 23 PHE 10 CA -0.0068 -0.0166 -0.0002 24 PHE 10 C -0.0074 -0.0165 0.0018 25 PHE 10 O -0.0070 -0.0175 0.0026 26 PHE 10 CB -0.0069 -0.0160 -0.0016 27 PHE 10 CG -0.0068 -0.0154 -0.0036 28 PHE 10 CD1 -0.0076 -0.0139 -0.0040 29 PHE 10 CD2 -0.0058 -0.0162 -0.0051 30 PHE 10 CE1 -0.0076 -0.0133 -0.0058 31 PHE 10 CE2 -0.0057 -0.0156 -0.0069 32 PHE 10 CZ -0.0066 -0.0141 -0.0073 33 PHE 10 H -0.0052 -0.0188 -0.0009 34 PHE 10 HA -0.0072 -0.0160 -0.0005 35 PHE 10 HB2 -0.0063 -0.0169 -0.0017 36 PHE 10 HB3 -0.0076 -0.0151 -0.0011 37 PHE 10 HD1 -0.0083 -0.0133 -0.0030 38 PHE 10 HD2 -0.0052 -0.0172 -0.0048 39 PHE 10 HE1 -0.0081 -0.0123 -0.0060 40 PHE 10 HE2 -0.0051 -0.0162 -0.0079 41 PHE 10 HZ -0.0065 -0.0137 -0.0085 42 ILE 11 N -0.0089 -0.0073 -0.0017 43 ILE 11 CA -0.0080 -0.0072 -0.0030 44 ILE 11 C -0.0054 -0.0069 -0.0033 45 ILE 11 O -0.0041 -0.0068 -0.0016 46 ILE 11 CB -0.0085 -0.0073 -0.0016 47 ILE 11 CG1 -0.0112 -0.0076 -0.0013 48 ILE 11 CG2 -0.0074 -0.0072 -0.0030 49 ILE 11 CD1 -0.0125 -0.0077 -0.0035 50 ILE 11 H -0.0082 -0.0072 -0.0003 51 ILE 11 HA -0.0087 -0.0073 -0.0045 52 ILE 11 HB -0.0078 -0.0072 -0.0001 53 ILE 11 HG12 -0.0118 -0.0077 -0.0004 54 ILE 11 HG13 -0.0114 -0.0076 -0.0004 55 ILE 11 HG21 -0.0081 -0.0072 -0.0024 56 ILE 11 HG22 -0.0058 -0.0070 -0.0027 57 ILE 11 HG23 -0.0077 -0.0072 -0.0046 58 ILE 11 HD11 -0.0141 -0.0079 -0.0031 59 ILE 11 HD12 -0.0119 -0.0077 -0.0044 60 ILE 11 HD13 -0.0123 -0.0077 -0.0044 61 GLY 12 N -0.0023 -0.0019 0.0008 62 GLY 12 CA -0.0011 -0.0016 0.0006 63 GLY 12 C 0.0007 -0.0018 0.0010 64 GLY 12 O 0.0012 -0.0015 0.0007 65 GLY 12 H -0.0027 -0.0013 0.0002 66 GLY 12 HA2 -0.0014 -0.0021 0.0010 67 GLY 12 HA3 -0.0012 -0.0007 -0.0003 68 ILE 13 N 0.0045 0.0002 -0.0018 69 ILE 13 CA 0.0053 0.0000 -0.0016 70 ILE 13 C 0.0055 0.0004 -0.0016 71 ILE 13 O 0.0061 0.0003 -0.0015 72 ILE 13 CB 0.0054 -0.0009 -0.0014 73 ILE 13 CG1 0.0049 -0.0012 -0.0014 74 ILE 13 CG2 0.0054 -0.0012 -0.0013 75 ILE 13 CD1 0.0051 -0.0021 -0.0011 76 ILE 13 H 0.0042 0.0001 -0.0018 77 ILE 13 HA 0.0057 0.0002 -0.0016 78 ILE 13 HB 0.0060 -0.0009 -0.0012 79 ILE 13 HG12 0.0044 -0.0013 -0.0015 80 ILE 13 HG13 0.0049 -0.0009 -0.0015 81 ILE 13 HG21 0.0055 -0.0018 -0.0011 82 ILE 13 HG22 0.0058 -0.0010 -0.0013 83 ILE 13 HG23 0.0049 -0.0012 -0.0014 84 ILE 13 HD11 0.0048 -0.0023 -0.0012 85 ILE 13 HD12 0.0056 -0.0020 -0.0010 86 ILE 13 HD13 0.0051 -0.0024 -0.0011 87 GLY 14 N 0.0003 0.0092 0.0010 88 GLY 14 CA 0.0008 0.0084 0.0008 89 GLY 14 C -0.0007 0.0078 0.0023 90 GLY 14 O -0.0021 0.0079 0.0035 91 GLY 14 H -0.0007 0.0101 0.0016 92 GLY 14 HA2 0.0013 0.0095 0.0001 93 GLY 14 HA3 0.0017 0.0071 0.0004 94 LYS 15 N -0.0080 0.0118 -0.0019 95 LYS 15 CA -0.0040 0.0081 0.0050 96 LYS 15 C -0.0019 0.0064 0.0090 97 LYS 15 O -0.0026 0.0047 0.0051 98 LYS 15 CB -0.0018 0.0005 0.0029 99 LYS 15 CG -0.0031 0.0012 0.0001 100 LYS 15 CD -0.0009 -0.0067 -0.0023 101 LYS 15 CE 0.0035 -0.0122 0.0039 102 LYS 15 NZ 0.0056 -0.0199 0.0014 103 LYS 15 H -0.0083 0.0087 -0.0061 104 LYS 15 HA -0.0040 0.0115 0.0086 105 LYS 15 HB2 -0.0021 -0.0026 -0.0012 106 LYS 15 HB3 0.0010 -0.0022 0.0075 107 LYS 15 HG2 -0.0026 0.0039 0.0043 108 LYS 15 HG3 -0.0059 0.0041 -0.0043 109 LYS 15 HD2 -0.0015 -0.0060 -0.0033 110 LYS 15 HD3 -0.0017 -0.0091 -0.0070 111 LYS 15 HE2 0.0042 -0.0129 0.0049 112 LYS 15 HE3 0.0044 -0.0099 0.0086 113 LYS 15 HZ1 0.0047 -0.0219 -0.0032 114 LYS 15 HZ2 0.0082 -0.0230 0.0049 115 LYS 15 HZ3 0.0052 -0.0194 0.0008 116 LEU 16 N 0.0034 0.0086 0.0126 117 LEU 16 CA 0.0042 0.0098 0.0134 118 LEU 16 C 0.0025 0.0053 0.0115 119 LEU 16 O 0.0010 0.0067 0.0098 120 LEU 16 CB 0.0083 0.0101 0.0182 121 LEU 16 CG 0.0095 0.0110 0.0196 122 LEU 16 CD1 0.0088 0.0168 0.0187 123 LEU 16 CD2 0.0136 0.0099 0.0243 124 LEU 16 H 0.0053 0.0083 0.0147 125 LEU 16 HA 0.0032 0.0133 0.0121 126 LEU 16 HB2 0.0092 0.0132 0.0192 127 LEU 16 HB3 0.0093 0.0066 0.0194 128 LEU 16 HG 0.0082 0.0085 0.0181 129 LEU 16 HD11 0.0096 0.0172 0.0196 130 LEU 16 HD12 0.0062 0.0175 0.0157 131 LEU 16 HD13 0.0102 0.0194 0.0202 132 LEU 16 HD21 0.0143 0.0101 0.0252 133 LEU 16 HD22 0.0149 0.0126 0.0258 134 LEU 16 HD23 0.0140 0.0062 0.0249 135 ASP 17 N 0.0025 -0.0040 0.0123 136 ASP 17 CA 0.0040 -0.0158 0.0078 137 ASP 17 C -0.0058 -0.0168 -0.0051 138 ASP 17 O -0.0056 -0.0256 -0.0096 139 ASP 17 CB 0.0112 -0.0298 0.0095 140 ASP 17 CG 0.0102 -0.0318 0.0071 141 ASP 17 OD1 0.0105 -0.0227 0.0124 142 ASP 17 OD2 0.0093 -0.0429 0.0000 143 ASP 17 H 0.0036 -0.0064 0.0123 144 ASP 17 HA 0.0072 -0.0142 0.0128 145 ASP 17 HB2 0.0102 -0.0374 0.0040 146 ASP 17 HB3 0.0179 -0.0303 0.0177 147 ASP 18 N -0.0032 -0.0122 0.0008 148 ASP 18 CA -0.0071 -0.0117 -0.0056 149 ASP 18 C -0.0081 -0.0088 -0.0072 150 ASP 18 O -0.0113 -0.0090 -0.0124 151 ASP 18 CB -0.0088 -0.0068 -0.0083 152 ASP 18 CG -0.0085 -0.0094 -0.0078 153 ASP 18 OD1 -0.0078 -0.0156 -0.0069 154 ASP 18 OD2 -0.0089 -0.0050 -0.0083 155 ASP 18 H -0.0024 -0.0094 0.0023 156 ASP 18 HA -0.0079 -0.0163 -0.0072 157 ASP 18 HB2 -0.0078 -0.0024 -0.0064 158 ASP 18 HB3 -0.0114 -0.0064 -0.0125 159 PHE 19 N -0.0019 -0.0024 -0.0008 160 PHE 19 CA -0.0020 -0.0018 -0.0029 161 PHE 19 C -0.0035 -0.0025 -0.0033 162 PHE 19 O -0.0034 -0.0028 -0.0023 163 PHE 19 CB -0.0003 -0.0007 -0.0033 164 PHE 19 CG 0.0012 0.0000 -0.0031 165 PHE 19 CD1 0.0013 0.0005 -0.0045 166 PHE 19 CD2 0.0023 0.0002 -0.0014 167 PHE 19 CE1 0.0025 0.0012 -0.0043 168 PHE 19 CE2 0.0036 0.0008 -0.0012 169 PHE 19 CZ 0.0037 0.0013 -0.0027 170 PHE 19 H -0.0015 -0.0024 -0.0001 171 PHE 19 HA -0.0023 -0.0017 -0.0037 172 PHE 19 HB2 0.0001 -0.0008 -0.0024 173 PHE 19 HB3 -0.0004 -0.0004 -0.0046 174 PHE 19 HD1 0.0005 0.0004 -0.0057 175 PHE 19 HD2 0.0023 -0.0002 -0.0004 176 PHE 19 HE1 0.0026 0.0015 -0.0053 177 PHE 19 HE2 0.0044 0.0009 -0.0001 178 PHE 19 HZ 0.0046 0.0017 -0.0025 179 PRO 20 N -0.0090 -0.0037 -0.0097 180 PRO 20 CA -0.0120 -0.0036 -0.0111 181 PRO 20 C -0.0076 0.0032 -0.0152 182 PRO 20 O -0.0057 0.0088 -0.0194 183 PRO 20 CB -0.0217 -0.0043 -0.0144 184 PRO 20 CG -0.0239 -0.0072 -0.0128 185 PRO 20 CD -0.0161 -0.0041 -0.0123 186 PRO 20 HA -0.0110 -0.0075 -0.0072 187 PRO 20 HB2 -0.0230 0.0002 -0.0189 188 PRO 20 HB3 -0.0248 -0.0075 -0.0129 189 PRO 20 HG2 -0.0289 -0.0058 -0.0161 190 PRO 20 HG3 -0.0251 -0.0123 -0.0089 191 PRO 20 HD2 -0.0161 0.0005 -0.0164 192 PRO 20 HD3 -0.0156 -0.0071 -0.0095 193 VAL 21 N -0.0032 0.0096 -0.0081 194 VAL 21 CA -0.0006 0.0135 -0.0090 195 VAL 21 C -0.0041 0.0158 -0.0162 196 VAL 21 O -0.0093 0.0120 -0.0190 197 VAL 21 CB -0.0002 0.0096 -0.0041 198 VAL 21 CG1 0.0012 0.0130 -0.0060 199 VAL 21 CG2 0.0042 0.0086 0.0029 200 VAL 21 H -0.0043 0.0057 -0.0053 201 VAL 21 HA 0.0032 0.0172 -0.0080 202 VAL 21 HB -0.0038 0.0054 -0.0043 203 VAL 21 HG11 0.0026 0.0113 -0.0022 204 VAL 21 HG12 -0.0022 0.0122 -0.0097 205 VAL 21 HG13 0.0041 0.0175 -0.0071 206 VAL 21 HG21 0.0044 0.0062 0.0060 207 VAL 21 HG22 0.0079 0.0127 0.0032 208 VAL 21 HG23 0.0030 0.0062 0.0040 209 GLY 22 N -0.0003 0.0150 -0.0183 210 GLY 22 CA -0.0014 0.0157 -0.0229 211 GLY 22 C -0.0016 0.0158 -0.0236 212 GLY 22 O -0.0027 0.0163 -0.0274 213 GLY 22 H 0.0025 0.0154 -0.0179 214 GLY 22 HA2 0.0009 0.0164 -0.0248 215 GLY 22 HA3 -0.0042 0.0153 -0.0238 216 ILE 23 N -0.0104 0.0115 -0.0370 217 ILE 23 CA -0.0125 0.0108 -0.0307 218 ILE 23 C -0.0015 0.0051 -0.0267 219 ILE 23 O 0.0028 0.0013 -0.0187 220 ILE 23 CB -0.0214 0.0120 -0.0202 221 ILE 23 CG1 -0.0322 0.0177 -0.0247 222 ILE 23 CG2 -0.0230 0.0109 -0.0132 223 ILE 23 CD1 -0.0422 0.0198 -0.0159 224 ILE 23 H -0.0077 0.0093 -0.0328 225 ILE 23 HA -0.0151 0.0133 -0.0361 226 ILE 23 HB -0.0189 0.0095 -0.0147 227 ILE 23 HG12 -0.0338 0.0201 -0.0315 228 ILE 23 HG13 -0.0311 0.0179 -0.0271 229 ILE 23 HG21 -0.0287 0.0117 -0.0068 230 ILE 23 HG22 -0.0159 0.0072 -0.0102 231 ILE 23 HG23 -0.0252 0.0132 -0.0185 232 ILE 23 HD11 -0.0483 0.0231 -0.0188 233 ILE 23 HD12 -0.0403 0.0171 -0.0085 234 ILE 23 HD13 -0.0445 0.0205 -0.0147 235 PRO 24 N 0.0039 -0.0089 -0.0198 236 PRO 24 CA 0.0039 -0.0094 -0.0196 237 PRO 24 C 0.0037 -0.0096 -0.0193 238 PRO 24 O 0.0035 -0.0094 -0.0190 239 PRO 24 CB 0.0038 -0.0093 -0.0195 240 PRO 24 CG 0.0039 -0.0088 -0.0197 241 PRO 24 CD 0.0038 -0.0085 -0.0197 242 PRO 24 HA 0.0041 -0.0096 -0.0199 243 PRO 24 HB2 0.0036 -0.0092 -0.0192 244 PRO 24 HB3 0.0039 -0.0095 -0.0196 245 PRO 24 HG2 0.0038 -0.0086 -0.0196 246 PRO 24 HG3 0.0041 -0.0088 -0.0200 247 PRO 24 HD2 0.0036 -0.0083 -0.0195 248 PRO 24 HD3 0.0040 -0.0082 -0.0200 249 LYS 25 N 0.0003 -0.0060 -0.0261 250 LYS 25 CA -0.0014 -0.0103 -0.0186 251 LYS 25 C 0.0057 -0.0127 -0.0179 252 LYS 25 O 0.0133 -0.0132 -0.0203 253 LYS 25 CB -0.0012 -0.0144 -0.0121 254 LYS 25 CG -0.0090 -0.0129 -0.0111 255 LYS 25 CD -0.0176 -0.0119 -0.0089 256 LYS 25 CE -0.0257 -0.0088 -0.0103 257 LYS 25 NZ -0.0318 -0.0116 -0.0031 258 LYS 25 H 0.0055 -0.0067 -0.0273 259 LYS 25 HA -0.0070 -0.0091 -0.0180 260 LYS 25 HB2 0.0040 -0.0151 -0.0133 261 LYS 25 HB3 -0.0011 -0.0174 -0.0074 262 LYS 25 HG2 -0.0094 -0.0098 -0.0159 263 LYS 25 HG3 -0.0084 -0.0156 -0.0071 264 LYS 25 HD2 -0.0182 -0.0152 -0.0035 265 LYS 25 HD3 -0.0173 -0.0101 -0.0120 266 LYS 25 HE2 -0.0288 -0.0058 -0.0138 267 LYS 25 HE3 -0.0239 -0.0080 -0.0124 268 LYS 25 HZ1 -0.0365 -0.0097 -0.0041 269 LYS 25 HZ2 -0.0292 -0.0145 0.0002 270 LYS 25 HZ3 -0.0336 -0.0125 -0.0010 271 LYS 26 N 0.0023 -0.0283 -0.0152 272 LYS 26 CA 0.0011 -0.0217 -0.0174 273 LYS 26 C 0.0010 -0.0228 -0.0175 274 LYS 26 O -0.0003 -0.0281 -0.0203 275 LYS 26 CB -0.0023 -0.0202 -0.0241 276 LYS 26 CG -0.0039 -0.0132 -0.0269 277 LYS 26 CD -0.0065 -0.0113 -0.0320 278 LYS 26 CE -0.0088 -0.0174 -0.0367 279 LYS 26 NZ -0.0121 -0.0143 -0.0430 280 LYS 26 H 0.0009 -0.0315 -0.0182 281 LYS 26 HA 0.0024 -0.0175 -0.0146 282 LYS 26 HB2 -0.0022 -0.0207 -0.0238 283 LYS 26 HB3 -0.0038 -0.0239 -0.0270 284 LYS 26 HG2 -0.0050 -0.0133 -0.0290 285 LYS 26 HG3 -0.0023 -0.0095 -0.0236 286 LYS 26 HD2 -0.0079 -0.0074 -0.0346 287 LYS 26 HD3 -0.0054 -0.0098 -0.0298 288 LYS 26 HE2 -0.0079 -0.0200 -0.0350 289 LYS 26 HE3 -0.0090 -0.0207 -0.0372 290 LYS 26 HZ1 -0.0119 -0.0100 -0.0425 291 LYS 26 HZ2 -0.0131 -0.0171 -0.0450 292 LYS 26 HZ3 -0.0134 -0.0140 -0.0455 293 VAL 27 N 0.0070 -0.0092 -0.0126 294 VAL 27 CA 0.0072 -0.0084 -0.0122 295 VAL 27 C 0.0076 -0.0058 -0.0127 296 VAL 27 O 0.0078 -0.0045 -0.0126 297 VAL 27 CB 0.0074 -0.0090 -0.0097 298 VAL 27 CG1 0.0070 -0.0116 -0.0092 299 VAL 27 CG2 0.0078 -0.0078 -0.0079 300 VAL 27 H 0.0072 -0.0083 -0.0121 301 VAL 27 HA 0.0069 -0.0091 -0.0133 302 VAL 27 HB 0.0075 -0.0085 -0.0095 303 VAL 27 HG11 0.0071 -0.0120 -0.0077 304 VAL 27 HG12 0.0067 -0.0124 -0.0104 305 VAL 27 HG13 0.0069 -0.0122 -0.0093 306 VAL 27 HG21 0.0079 -0.0084 -0.0064 307 VAL 27 HG22 0.0077 -0.0081 -0.0083 308 VAL 27 HG23 0.0081 -0.0061 -0.0080 309 ALA 28 N 0.0108 -0.0091 -0.0128 310 ALA 28 CA 0.0095 -0.0053 -0.0134 311 ALA 28 C 0.0089 -0.0034 -0.0100 312 ALA 28 O 0.0094 -0.0048 -0.0079 313 ALA 28 CB 0.0093 -0.0045 -0.0165 314 ALA 28 H 0.0111 -0.0102 -0.0139 315 ALA 28 HA 0.0093 -0.0045 -0.0140 316 ALA 28 HB1 0.0084 -0.0020 -0.0169 317 ALA 28 HB2 0.0096 -0.0056 -0.0187 318 ALA 28 HB3 0.0095 -0.0053 -0.0159 319 VAL 29 N 0.0050 -0.0012 -0.0060 320 VAL 29 CA 0.0028 -0.0011 -0.0063 321 VAL 29 C 0.0014 -0.0006 -0.0072 322 VAL 29 O 0.0011 -0.0012 -0.0063 323 VAL 29 CB 0.0017 -0.0022 -0.0044 324 VAL 29 CG1 -0.0006 -0.0020 -0.0049 325 VAL 29 CG2 0.0032 -0.0027 -0.0034 326 VAL 29 H 0.0050 -0.0016 -0.0053 327 VAL 29 HA 0.0028 -0.0006 -0.0072 328 VAL 29 HB 0.0015 -0.0027 -0.0036 329 VAL 29 HG11 -0.0012 -0.0026 -0.0037 330 VAL 29 HG12 -0.0016 -0.0017 -0.0053 331 VAL 29 HG13 -0.0004 -0.0014 -0.0059 332 VAL 29 HG21 0.0024 -0.0034 -0.0023 333 VAL 29 HG22 0.0035 -0.0022 -0.0043 334 VAL 29 HG23 0.0045 -0.0029 -0.0030 335 THR 30 N 0.0004 -0.0069 -0.0054 336 THR 30 CA -0.0020 -0.0038 -0.0096 337 THR 30 C -0.0050 -0.0007 -0.0080 338 THR 30 O -0.0045 -0.0014 -0.0075 339 THR 30 CB 0.0002 -0.0055 -0.0146 340 THR 30 OG1 0.0020 -0.0076 -0.0136 341 THR 30 CG2 0.0030 -0.0082 -0.0166 342 THR 30 H 0.0010 -0.0078 -0.0044 343 THR 30 HA -0.0030 -0.0026 -0.0102 344 THR 30 HB -0.0014 -0.0033 -0.0173 345 THR 30 HG1 0.0005 -0.0060 -0.0130 346 THR 30 HG21 0.0041 -0.0090 -0.0200 347 THR 30 HG22 0.0019 -0.0070 -0.0168 348 THR 30 HG23 0.0048 -0.0106 -0.0142 349 SER 31 N -0.0098 -0.0031 -0.0053 350 SER 31 CA -0.0096 -0.0022 -0.0045 351 SER 31 C -0.0090 -0.0012 -0.0041 352 SER 31 O -0.0083 -0.0011 -0.0048 353 SER 31 CB -0.0090 -0.0020 -0.0050 354 SER 31 OG -0.0087 -0.0010 -0.0042 355 SER 31 H -0.0094 -0.0033 -0.0060 356 SER 31 HA -0.0102 -0.0023 -0.0038 357 SER 31 HB2 -0.0094 -0.0026 -0.0052 358 SER 31 HB3 -0.0083 -0.0019 -0.0057 359 SER 31 HG -0.0083 -0.0009 -0.0046 360 SER 32 N -0.0114 -0.0053 -0.0009 361 SER 32 CA -0.0075 -0.0012 0.0037 362 SER 32 C 0.0010 0.0066 0.0000 363 SER 32 O 0.0044 0.0100 0.0010 364 SER 32 CB -0.0083 -0.0010 0.0158 365 SER 32 OG -0.0061 0.0014 0.0194 366 SER 32 H -0.0125 -0.0060 0.0034 367 SER 32 HA -0.0099 -0.0037 0.0016 368 SER 32 HB2 -0.0050 0.0024 0.0188 369 SER 32 HB3 -0.0136 -0.0059 0.0181 370 SER 32 HG -0.0068 0.0012 0.0260 371 LYS 33 N -0.0068 0.0012 0.0087 372 LYS 33 CA -0.0008 0.0019 0.0078 373 LYS 33 C 0.0013 0.0020 0.0061 374 LYS 33 O -0.0015 0.0012 0.0032 375 LYS 33 CB 0.0007 0.0016 0.0034 376 LYS 33 CG 0.0001 0.0017 0.0054 377 LYS 33 CD -0.0003 0.0011 0.0006 378 LYS 33 CE 0.0001 0.0014 0.0026 379 LYS 33 NZ -0.0028 0.0005 -0.0010 380 LYS 33 H -0.0086 0.0007 0.0062 381 LYS 33 HA 0.0011 0.0026 0.0112 382 LYS 33 HB2 -0.0017 0.0008 0.0002 383 LYS 33 HB3 0.0045 0.0019 0.0022 384 LYS 33 HG2 0.0034 0.0024 0.0075 385 LYS 33 HG3 -0.0032 0.0016 0.0077 386 LYS 33 HD2 -0.0039 0.0004 -0.0011 387 LYS 33 HD3 0.0026 0.0011 -0.0021 388 LYS 33 HE2 0.0040 0.0019 0.0027 389 LYS 33 HE3 -0.0015 0.0016 0.0063 390 LYS 33 HZ1 -0.0025 0.0007 0.0003 391 LYS 33 HZ2 -0.0064 0.0000 -0.0012 392 LYS 33 HZ3 -0.0013 0.0003 -0.0044 393 MET 34 N -0.0005 0.0068 0.0059 394 MET 34 CA 0.0036 0.0083 0.0002 395 MET 34 C 0.0058 0.0111 -0.0020 396 MET 34 O 0.0093 0.0135 -0.0064 397 MET 34 CB 0.0050 0.0130 -0.0002 398 MET 34 CG 0.0036 0.0101 0.0009 399 MET 34 SD 0.0067 0.0059 -0.0053 400 MET 34 CE 0.0050 -0.0019 -0.0058 401 MET 34 H -0.0013 0.0101 0.0083 402 MET 34 HA 0.0042 0.0043 -0.0022 403 MET 34 HB2 0.0041 0.0167 0.0026 404 MET 34 HB3 0.0078 0.0142 -0.0039 405 MET 34 HG2 0.0011 0.0070 0.0035 406 MET 34 HG3 0.0035 0.0136 0.0024 407 MET 34 HE1 0.0057 -0.0050 -0.0081 408 MET 34 HE2 0.0062 -0.0017 -0.0075 409 MET 34 HE3 0.0023 -0.0031 -0.0021 410 ASP 35 N 0.0053 0.0110 0.0059 411 ASP 35 CA 0.0080 0.0135 0.0029 412 ASP 35 C 0.0084 0.0096 -0.0026 413 ASP 35 O 0.0060 0.0046 -0.0034 414 ASP 35 CB 0.0070 0.0148 0.0065 415 ASP 35 CG 0.0036 0.0099 0.0081 416 ASP 35 OD1 0.0009 0.0078 0.0116 417 ASP 35 OD2 0.0037 0.0079 0.0055 418 ASP 35 H 0.0033 0.0099 0.0088 419 ASP 35 HA 0.0102 0.0168 0.0019 420 ASP 35 HB2 0.0089 0.0165 0.0045 421 ASP 35 HB3 0.0068 0.0173 0.0100 422 ALA 36 N 0.0083 0.0187 0.0061 423 ALA 36 CA 0.0042 0.0182 -0.0078 424 ALA 36 C 0.0106 0.0077 0.0055 425 ALA 36 O 0.0109 -0.0076 -0.0048 426 ALA 36 CB -0.0038 0.0440 -0.0150 427 ALA 36 H 0.0057 0.0329 0.0080 428 ALA 36 HA 0.0022 0.0077 -0.0222 429 ALA 36 HB1 -0.0066 0.0437 -0.0242 430 ALA 36 HB2 -0.0080 0.0497 -0.0245 431 ALA 36 HB3 -0.0019 0.0547 -0.0006 432 TRP 37 N 0.0056 -0.0103 0.0058 433 TRP 37 CA 0.0042 -0.0098 0.0036 434 TRP 37 C 0.0035 -0.0025 0.0026 435 TRP 37 O 0.0044 -0.0005 0.0041 436 TRP 37 CB 0.0006 -0.0135 -0.0021 437 TRP 37 CG -0.0010 -0.0132 -0.0045 438 TRP 37 CD1 -0.0004 -0.0177 -0.0036 439 TRP 37 CD2 -0.0035 -0.0082 -0.0083 440 TRP 37 NE1 -0.0023 -0.0159 -0.0065 441 TRP 37 CE2 -0.0042 -0.0101 -0.0094 442 TRP 37 CE3 -0.0051 -0.0024 -0.0108 443 TRP 37 CZ2 -0.0065 -0.0064 -0.0130 444 TRP 37 CZ3 -0.0074 0.0013 -0.0143 445 TRP 37 CH2 -0.0081 -0.0007 -0.0154 446 TRP 37 H 0.0043 -0.0126 0.0037 447 TRP 37 HA 0.0060 -0.0118 0.0063 448 TRP 37 HB2 0.0010 -0.0181 -0.0015 449 TRP 37 HB3 -0.0011 -0.0114 -0.0047 450 TRP 37 HD1 0.0012 -0.0214 -0.0013 451 TRP 37 HE1 -0.0022 -0.0180 -0.0065 452 TRP 37 HE3 -0.0047 -0.0011 -0.0102 453 TRP 37 HZ2 -0.0069 -0.0077 -0.0136 454 TRP 37 HZ3 -0.0086 0.0051 -0.0160 455 TRP 37 HH2 -0.0096 0.0018 -0.0177 456 ASN 38 N 0.0029 -0.0051 -0.0007 457 ASN 38 CA 0.0024 -0.0038 -0.0007 458 ASN 38 C 0.0049 -0.0029 -0.0004 459 ASN 38 O 0.0051 -0.0031 -0.0004 460 ASN 38 CB 0.0005 -0.0014 -0.0009 461 ASN 38 CG -0.0024 -0.0022 -0.0012 462 ASN 38 OD1 -0.0033 -0.0029 -0.0013 463 ASN 38 ND2 -0.0038 -0.0020 -0.0014 464 ASN 38 H 0.0025 -0.0041 -0.0007 465 ASN 38 HA 0.0015 -0.0051 -0.0008 466 ASN 38 HB2 0.0008 -0.0006 -0.0009 467 ASN 38 HB3 0.0009 -0.0001 -0.0008 468 ASN 38 HD21 -0.0055 -0.0024 -0.0016 469 ASN 38 HD22 -0.0031 -0.0014 -0.0013 470 ILE 39 N 0.0042 -0.0056 0.0056 471 ILE 39 CA 0.0036 -0.0083 0.0007 472 ILE 39 C 0.0036 -0.0082 0.0009 473 ILE 39 O 0.0049 -0.0119 -0.0006 474 ILE 39 CB 0.0006 -0.0062 -0.0041 475 ILE 39 CG1 0.0007 -0.0068 -0.0045 476 ILE 39 CG2 -0.0000 -0.0090 -0.0090 477 ILE 39 CD1 -0.0024 -0.0038 -0.0085 478 ILE 39 H 0.0028 -0.0030 0.0053 479 ILE 39 HA 0.0052 -0.0118 0.0003 480 ILE 39 HB -0.0010 -0.0026 -0.0036 481 ILE 39 HG12 0.0021 -0.0104 -0.0056 482 ILE 39 HG13 0.0015 -0.0056 -0.0011 483 ILE 39 HG21 -0.0017 -0.0081 -0.0121 484 ILE 39 HG22 -0.0005 -0.0079 -0.0090 485 ILE 39 HG23 0.0018 -0.0126 -0.0091 486 ILE 39 HD11 -0.0022 -0.0041 -0.0084 487 ILE 39 HD12 -0.0038 -0.0003 -0.0077 488 ILE 39 HD13 -0.0031 -0.0053 -0.0120 489 PHE 40 N 0.0050 -0.0082 0.0069 490 PHE 40 CA 0.0034 -0.0020 0.0110 491 PHE 40 C 0.0090 0.0035 0.0107 492 PHE 40 O 0.0085 0.0078 0.0133 493 PHE 40 CB 0.0012 -0.0018 0.0125 494 PHE 40 CG -0.0001 0.0043 0.0164 495 PHE 40 CD1 -0.0059 0.0054 0.0204 496 PHE 40 CD2 0.0044 0.0089 0.0162 497 PHE 40 CE1 -0.0070 0.0111 0.0241 498 PHE 40 CE2 0.0032 0.0144 0.0199 499 PHE 40 CZ -0.0026 0.0154 0.0238 500 PHE 40 H 0.0045 -0.0104 0.0060 501 PHE 40 HA 0.0003 -0.0016 0.0132 502 PHE 40 HB2 -0.0027 -0.0051 0.0130 503 PHE 40 HB3 0.0043 -0.0027 0.0102 504 PHE 40 HD1 -0.0089 0.0023 0.0206 505 PHE 40 HD2 0.0083 0.0081 0.0135 506 PHE 40 HE1 -0.0109 0.0119 0.0268 507 PHE 40 HE2 0.0063 0.0176 0.0198 508 PHE 40 HZ -0.0035 0.0192 0.0263 509 GLU 41 N 0.0090 0.0026 0.0097 510 GLU 41 CA 0.0108 0.0054 0.0087 511 GLU 41 C 0.0111 0.0065 0.0087 512 GLU 41 O 0.0117 0.0093 0.0088 513 GLU 41 CB 0.0129 0.0048 0.0062 514 GLU 41 CG 0.0142 0.0075 0.0056 515 GLU 41 CD 0.0129 0.0079 0.0071 516 GLU 41 OE1 0.0113 0.0060 0.0083 517 GLU 41 OE2 0.0136 0.0103 0.0070 518 GLU 41 H 0.0095 0.0010 0.0087 519 GLU 41 HA 0.0103 0.0070 0.0096 520 GLU 41 HB2 0.0126 0.0030 0.0060 521 GLU 41 HB3 0.0139 0.0045 0.0051 522 GLU 41 HG2 0.0156 0.0070 0.0040 523 GLU 41 HG3 0.0144 0.0094 0.0059 524 GLY 42 N 0.0096 -0.0030 0.0038 525 GLY 42 CA 0.0097 -0.0051 0.0033 526 GLY 42 C 0.0057 -0.0036 0.0039 527 GLY 42 O 0.0063 -0.0035 0.0039 528 GLY 42 H 0.0090 -0.0049 0.0034 529 GLY 42 HA2 0.0127 -0.0043 0.0032 530 GLY 42 HA3 0.0094 -0.0084 0.0025 531 LEU 43 N 0.0071 0.0001 0.0162 532 LEU 43 CA -0.0022 0.0035 0.0169 533 LEU 43 C -0.0019 0.0144 0.0171 534 LEU 43 O -0.0077 0.0174 0.0176 535 LEU 43 CB -0.0103 0.0020 0.0174 536 LEU 43 CG -0.0126 -0.0087 0.0173 537 LEU 43 CD1 -0.0183 -0.0092 0.0177 538 LEU 43 CD2 -0.0186 -0.0136 0.0176 539 LEU 43 H 0.0072 -0.0003 0.0162 540 LEU 43 HA -0.0038 -0.0002 0.0169 541 LEU 43 HB2 -0.0084 0.0053 0.0173 542 LEU 43 HB3 -0.0164 0.0048 0.0179 543 LEU 43 HG -0.0065 -0.0123 0.0168 544 LEU 43 HD11 -0.0197 -0.0161 0.0176 545 LEU 43 HD12 -0.0142 -0.0064 0.0175 546 LEU 43 HD13 -0.0243 -0.0055 0.0182 547 LEU 43 HD21 -0.0202 -0.0203 0.0175 548 LEU 43 HD22 -0.0247 -0.0099 0.0181 549 LEU 43 HD23 -0.0148 -0.0134 0.0173 550 VAL 44 N 0.0005 0.0109 0.0144 551 VAL 44 CA 0.0004 0.0163 0.0133 552 VAL 44 C 0.0042 0.0165 0.0140 553 VAL 44 O 0.0027 0.0186 0.0133 554 VAL 44 CB 0.0018 0.0212 0.0126 555 VAL 44 CG1 0.0069 0.0200 0.0138 556 VAL 44 CG2 0.0026 0.0266 0.0117 557 VAL 44 H 0.0033 0.0105 0.0151 558 VAL 44 HA -0.0034 0.0168 0.0125 559 VAL 44 HB -0.0013 0.0216 0.0120 560 VAL 44 HG11 0.0090 0.0235 0.0136 561 VAL 44 HG12 0.0058 0.0184 0.0139 562 VAL 44 HG13 0.0092 0.0174 0.0148 563 VAL 44 HG21 0.0024 0.0298 0.0110 564 VAL 44 HG22 0.0063 0.0267 0.0124 565 VAL 44 HG23 -0.0003 0.0268 0.0111 566 VAL 44 N 0.0005 0.0109 0.0145 567 VAL 44 CA 0.0004 0.0163 0.0133 568 VAL 44 C 0.0044 0.0169 0.0140 569 VAL 44 O 0.0032 0.0200 0.0131 570 VAL 44 CB 0.0015 0.0212 0.0126 571 VAL 44 CG1 -0.0030 0.0213 0.0117 572 VAL 44 CG2 0.0073 0.0209 0.0138 573 VAL 44 H 0.0034 0.0104 0.0151 574 VAL 44 HA -0.0033 0.0167 0.0126 575 VAL 44 HB 0.0014 0.0247 0.0119 576 VAL 44 HG11 -0.0045 0.0250 0.0107 577 VAL 44 HG12 -0.0060 0.0186 0.0117 578 VAL 44 HG13 -0.0014 0.0203 0.0122 579 VAL 44 HG21 0.0074 0.0228 0.0134 580 VAL 44 HG22 0.0082 0.0170 0.0147 581 VAL 44 HG23 0.0100 0.0227 0.0139 582 MET 45 N 0.0055 0.0103 0.0056 583 MET 45 CA 0.0038 0.0099 0.0057 584 MET 45 C 0.0032 0.0116 0.0060 585 MET 45 O 0.0017 0.0122 0.0063 586 MET 45 CB 0.0024 0.0093 0.0058 587 MET 45 CG 0.0028 0.0076 0.0056 588 MET 45 SD 0.0023 0.0055 0.0054 589 MET 45 CE -0.0001 0.0054 0.0057 590 MET 45 H 0.0054 0.0111 0.0057 591 MET 45 HA 0.0041 0.0089 0.0056 592 MET 45 HB2 0.0022 0.0102 0.0060 593 MET 45 HB3 0.0013 0.0091 0.0059 594 MET 45 HG2 0.0040 0.0076 0.0054 595 MET 45 HG3 0.0021 0.0076 0.0057 596 MET 45 HE1 -0.0005 0.0043 0.0056 597 MET 45 HE2 -0.0006 0.0055 0.0057 598 MET 45 HE3 -0.0005 0.0064 0.0059 599 GLY 46 N 0.0038 0.0060 0.0049 600 GLY 46 CA 0.0049 0.0032 0.0027 601 GLY 46 C 0.0079 0.0023 0.0025 602 GLY 46 O 0.0087 -0.0001 0.0006 603 GLY 46 H 0.0027 0.0067 0.0052 604 GLY 46 HA2 0.0054 0.0025 0.0023 605 GLY 46 HA3 0.0029 0.0022 0.0016 606 SER 47 N 0.0010 0.0042 -0.0078 607 SER 47 CA 0.0026 -0.0000 -0.0071 608 SER 47 C 0.0033 -0.0009 -0.0032 609 SER 47 O 0.0027 0.0011 -0.0020 610 SER 47 CB 0.0031 -0.0025 -0.0108 611 SER 47 OG 0.0025 -0.0012 -0.0121 612 SER 47 H 0.0006 0.0053 -0.0069 613 SER 47 HA 0.0029 -0.0007 -0.0065 614 SER 47 HB2 0.0042 -0.0053 -0.0101 615 SER 47 HB3 0.0028 -0.0023 -0.0131 616 SER 47 HG 0.0021 -0.0009 -0.0147 617 VAL 48 N 0.0038 -0.0029 -0.0083 618 VAL 48 CA 0.0047 -0.0032 -0.0059 619 VAL 48 C 0.0062 -0.0055 -0.0059 620 VAL 48 O 0.0067 -0.0069 -0.0075 621 VAL 48 CB 0.0049 -0.0027 -0.0042 622 VAL 48 CG1 0.0035 -0.0004 -0.0038 623 VAL 48 CG2 0.0055 -0.0040 -0.0050 624 VAL 48 H 0.0042 -0.0039 -0.0091 625 VAL 48 HA 0.0043 -0.0024 -0.0054 626 VAL 48 HB 0.0056 -0.0030 -0.0026 627 VAL 48 HG11 0.0036 -0.0001 -0.0027 628 VAL 48 HG12 0.0031 0.0004 -0.0032 629 VAL 48 HG13 0.0028 -0.0000 -0.0053 630 VAL 48 HG21 0.0055 -0.0035 -0.0039 631 VAL 48 HG22 0.0049 -0.0038 -0.0066 632 VAL 48 HG23 0.0065 -0.0054 -0.0049 633 TRP 49 N 0.0023 -0.0062 -0.0099 634 TRP 49 CA 0.0052 -0.0084 -0.0090 635 TRP 49 C 0.0090 -0.0094 -0.0067 636 TRP 49 O 0.0099 -0.0067 -0.0043 637 TRP 49 CB 0.0053 -0.0058 -0.0073 638 TRP 49 CG 0.0023 -0.0055 -0.0094 639 TRP 49 CD1 -0.0008 -0.0023 -0.0097 640 TRP 49 CD2 0.0021 -0.0087 -0.0116 641 TRP 49 NE1 -0.0029 -0.0032 -0.0120 642 TRP 49 CE2 -0.0012 -0.0071 -0.0131 643 TRP 49 CE3 0.0044 -0.0127 -0.0124 644 TRP 49 CZ2 -0.0023 -0.0094 -0.0154 645 TRP 49 CZ3 0.0033 -0.0149 -0.0146 646 TRP 49 CH2 0.0000 -0.0133 -0.0161 647 TRP 49 H 0.0020 -0.0037 -0.0085 648 TRP 49 HA 0.0047 -0.0108 -0.0109 649 TRP 49 HB2 0.0050 -0.0031 -0.0058 650 TRP 49 HB3 0.0077 -0.0070 -0.0062 651 TRP 49 HD1 -0.0014 0.0003 -0.0086 652 TRP 49 HE1 -0.0050 -0.0017 -0.0126 653 TRP 49 HE3 0.0066 -0.0138 -0.0114 654 TRP 49 HZ2 -0.0045 -0.0084 -0.0165 655 TRP 49 HZ3 0.0048 -0.0176 -0.0151 656 TRP 49 HH2 -0.0006 -0.0149 -0.0176 657 VAL 50 N 0.0108 -0.0010 -0.0085 658 VAL 50 CA 0.0108 -0.0012 -0.0078 659 VAL 50 C 0.0098 -0.0015 -0.0080 660 VAL 50 O 0.0090 -0.0019 -0.0081 661 VAL 50 CB 0.0108 -0.0014 -0.0066 662 VAL 50 CG1 0.0108 -0.0016 -0.0058 663 VAL 50 CG2 0.0117 -0.0011 -0.0063 664 VAL 50 H 0.0103 -0.0012 -0.0084 665 VAL 50 HA 0.0113 -0.0009 -0.0079 666 VAL 50 HB 0.0102 -0.0017 -0.0065 667 VAL 50 HG11 0.0110 -0.0017 -0.0051 668 VAL 50 HG12 0.0102 -0.0018 -0.0059 669 VAL 50 HG13 0.0113 -0.0013 -0.0061 670 VAL 50 HG21 0.0118 -0.0012 -0.0056 671 VAL 50 HG22 0.0123 -0.0008 -0.0065 672 VAL 50 HG23 0.0117 -0.0010 -0.0068 673 ILE 51 N 0.0161 0.0048 -0.0105 674 ILE 51 CA 0.0163 0.0050 -0.0105 675 ILE 51 C 0.0158 0.0052 -0.0111 676 ILE 51 O 0.0153 0.0048 -0.0113 677 ILE 51 CB 0.0163 0.0045 -0.0100 678 ILE 51 CG1 0.0167 0.0041 -0.0095 679 ILE 51 CG2 0.0167 0.0048 -0.0100 680 ILE 51 CD1 0.0163 0.0034 -0.0093 681 ILE 51 H 0.0157 0.0045 -0.0106 682 ILE 51 HA 0.0167 0.0054 -0.0104 683 ILE 51 HB 0.0159 0.0041 -0.0102 684 ILE 51 HG12 0.0170 0.0041 -0.0092 685 ILE 51 HG13 0.0169 0.0043 -0.0095 686 ILE 51 HG21 0.0167 0.0044 -0.0097 687 ILE 51 HG22 0.0164 0.0050 -0.0104 688 ILE 51 HG23 0.0171 0.0051 -0.0099 689 ILE 51 HD11 0.0166 0.0032 -0.0089 690 ILE 51 HD12 0.0160 0.0034 -0.0096 691 ILE 51 HD13 0.0161 0.0031 -0.0093 692 ARG 52 N 0.0140 0.0214 -0.0079 693 ARG 52 CA 0.0143 0.0200 -0.0033 694 ARG 52 C 0.0123 0.0183 -0.0042 695 ARG 52 O 0.0093 0.0163 -0.0072 696 ARG 52 CB 0.0126 0.0171 -0.0000 697 ARG 52 CG 0.0127 0.0153 0.0051 698 ARG 52 CD 0.0104 0.0122 0.0074 699 ARG 52 NE 0.0101 0.0102 0.0122 700 ARG 52 CZ 0.0083 0.0073 0.0149 701 ARG 52 NH1 0.0065 0.0060 0.0134 702 ARG 52 NH2 0.0082 0.0056 0.0192 703 ARG 52 H 0.0124 0.0199 -0.0085 704 ARG 52 HA 0.0168 0.0220 -0.0017 705 ARG 52 HB2 0.0139 0.0183 0.0005 706 ARG 52 HB3 0.0101 0.0151 -0.0016 707 ARG 52 HG2 0.0116 0.0144 0.0048 708 ARG 52 HG3 0.0151 0.0171 0.0071 709 ARG 52 HD2 0.0115 0.0132 0.0078 710 ARG 52 HD3 0.0080 0.0104 0.0053 711 ARG 52 HE 0.0112 0.0109 0.0134 712 ARG 52 HH11 0.0066 0.0071 0.0106 713 ARG 52 HH12 0.0054 0.0042 0.0152 714 ARG 52 HH21 0.0093 0.0064 0.0202 715 ARG 52 HH22 0.0070 0.0037 0.0210 716 GLN 53 N 0.0217 0.0218 0.0017 717 GLN 53 CA 0.0187 0.0196 -0.0002 718 GLN 53 C 0.0149 0.0213 0.0011 719 GLN 53 O 0.0146 0.0239 0.0033 720 GLN 53 CB 0.0185 0.0178 -0.0017 721 GLN 53 CG 0.0225 0.0168 -0.0025 722 GLN 53 CD 0.0242 0.0144 -0.0044 723 GLN 53 OE1 0.0222 0.0125 -0.0062 724 GLN 53 NE2 0.0279 0.0147 -0.0041 725 GLN 53 H 0.0217 0.0226 0.0023 726 GLN 53 HA 0.0192 0.0183 -0.0013 727 GLN 53 HB2 0.0173 0.0190 -0.0008 728 GLN 53 HB3 0.0170 0.0161 -0.0032 729 GLN 53 HG2 0.0242 0.0184 -0.0011 730 GLN 53 HG3 0.0222 0.0160 -0.0032 731 GLN 53 HE21 0.0292 0.0161 -0.0029 732 GLN 53 HE22 0.0290 0.0134 -0.0052 733 LYS 54 N 0.0114 0.0192 0.0087 734 LYS 54 CA 0.0038 0.0204 0.0119 735 LYS 54 C -0.0008 0.0239 0.0160 736 LYS 54 O -0.0065 0.0263 0.0196 737 LYS 54 CB -0.0014 0.0139 0.0085 738 LYS 54 CG 0.0006 0.0109 0.0056 739 LYS 54 CD -0.0034 0.0038 0.0013 740 LYS 54 CE 0.0020 -0.0002 -0.0034 741 LYS 54 NZ 0.0046 0.0025 -0.0022 742 LYS 54 H 0.0117 0.0151 0.0055 743 LYS 54 HA 0.0050 0.0232 0.0137 744 LYS 54 HB2 -0.0009 0.0107 0.0059 745 LYS 54 HB3 -0.0069 0.0145 0.0106 746 LYS 54 HG2 -0.0012 0.0134 0.0080 747 LYS 54 HG3 0.0063 0.0111 0.0040 748 LYS 54 HD2 -0.0046 0.0019 0.0002 749 LYS 54 HD3 -0.0083 0.0035 0.0025 750 LYS 54 HE2 0.0068 -0.0002 -0.0048 751 LYS 54 HE3 -0.0007 -0.0047 -0.0061 752 LYS 54 HZ1 0.0078 0.0000 -0.0050 753 LYS 54 HZ2 0.0004 0.0024 -0.0009 754 LYS 54 HZ3 0.0072 0.0066 0.0002 755 ASP 55 N -0.0244 0.0150 0.0099 756 ASP 55 CA -0.0511 0.0275 0.0076 757 ASP 55 C -0.0474 0.0511 0.0045 758 ASP 55 O -0.0682 0.0619 0.0026 759 ASP 55 CB -0.0712 0.0053 0.0101 760 ASP 55 CG -0.0627 -0.0051 0.0117 761 ASP 55 OD1 -0.0379 -0.0021 0.0119 762 ASP 55 OD2 -0.0810 -0.0162 0.0128 763 ASP 55 H -0.0183 0.0027 0.0117 764 ASP 55 HA -0.0599 0.0353 0.0063 765 ASP 55 HB2 -0.0899 0.0131 0.0086 766 ASP 55 HB3 -0.0713 -0.0106 0.0122 767 ASP 56 N 0.0049 0.0289 0.0196 768 ASP 56 CA 0.0093 0.0318 0.0233 769 ASP 56 C 0.0167 0.0364 0.0213 770 ASP 56 O 0.0209 0.0392 0.0247 771 ASP 56 CB 0.0084 0.0314 0.0323 772 ASP 56 CG 0.0018 0.0273 0.0347 773 ASP 56 OD1 -0.0013 0.0252 0.0295 774 ASP 56 OD2 -0.0001 0.0263 0.0417 775 ASP 56 H 0.0028 0.0274 0.0157 776 ASP 56 HA 0.0080 0.0309 0.0211 777 ASP 56 HB2 0.0085 0.0315 0.0346 778 ASP 56 HB3 0.0120 0.0338 0.0345 779 SER 57 N 0.0207 0.0259 0.0163 780 SER 57 CA 0.0298 0.0285 0.0122 781 SER 57 C 0.0298 0.0286 0.0081 782 SER 57 O 0.0225 0.0266 0.0066 783 SER 57 CB 0.0319 0.0292 0.0041 784 SER 57 OG 0.0256 0.0277 -0.0036 785 SER 57 H 0.0175 0.0251 0.0132 786 SER 57 HA 0.0344 0.0296 0.0172 787 SER 57 HB2 0.0381 0.0310 0.0018 788 SER 57 HB3 0.0316 0.0291 0.0065 789 SER 57 HG 0.0271 0.0282 -0.0081 790 LEU 58 N 0.0158 0.0165 0.0033 791 LEU 58 CA 0.0147 0.0167 0.0033 792 LEU 58 C 0.0146 0.0177 0.0030 793 LEU 58 O 0.0155 0.0180 0.0029 794 LEU 58 CB 0.0143 0.0156 0.0035 795 LEU 58 CG 0.0142 0.0145 0.0038 796 LEU 58 CD1 0.0150 0.0137 0.0041 797 LEU 58 CD2 0.0131 0.0140 0.0040 798 LEU 58 H 0.0164 0.0165 0.0033 799 LEU 58 HA 0.0141 0.0168 0.0032 800 LEU 58 HB2 0.0148 0.0155 0.0036 801 LEU 58 HB3 0.0135 0.0157 0.0035 802 LEU 58 HG 0.0145 0.0147 0.0038 803 LEU 58 HD11 0.0150 0.0130 0.0043 804 LEU 58 HD12 0.0158 0.0140 0.0040 805 LEU 58 HD13 0.0148 0.0136 0.0041 806 LEU 58 HD21 0.0131 0.0133 0.0042 807 LEU 58 HD22 0.0127 0.0138 0.0040 808 LEU 58 HD23 0.0126 0.0145 0.0038 809 LYS 59 N 0.0178 0.0084 -0.0001 810 LYS 59 CA 0.0134 0.0098 0.0030 811 LYS 59 C 0.0124 0.0111 -0.0028 812 LYS 59 O 0.0170 0.0097 -0.0070 813 LYS 59 CB 0.0164 0.0077 0.0094 814 LYS 59 CG 0.0163 0.0069 0.0160 815 LYS 59 CD 0.0211 0.0041 0.0214 816 LYS 59 CE 0.0215 0.0031 0.0275 817 LYS 59 NZ 0.0173 0.0040 0.0339 818 LYS 59 H 0.0218 0.0069 -0.0013 819 LYS 59 HA 0.0092 0.0114 0.0046 820 LYS 59 HB2 0.0210 0.0060 0.0081 821 LYS 59 HB3 0.0138 0.0086 0.0105 822 LYS 59 HG2 0.0118 0.0084 0.0183 823 LYS 59 HG3 0.0174 0.0066 0.0146 824 LYS 59 HD2 0.0256 0.0025 0.0190 825 LYS 59 HD3 0.0197 0.0044 0.0233 826 LYS 59 HE2 0.0199 0.0040 0.0259 827 LYS 59 HE3 0.0260 0.0010 0.0289 828 LYS 59 HZ1 0.0187 0.0032 0.0355 829 LYS 59 HZ2 0.0130 0.0060 0.0327 830 LYS 59 HZ3 0.0175 0.0035 0.0373 831 VAL 60 N 0.0089 0.0013 0.0025 832 VAL 60 CA 0.0080 0.0011 0.0021 833 VAL 60 C 0.0068 0.0009 0.0036 834 VAL 60 O 0.0057 0.0007 0.0041 835 VAL 60 CB 0.0071 0.0006 0.0004 836 VAL 60 CG1 0.0061 0.0003 0.0002 837 VAL 60 CG2 0.0083 0.0007 -0.0011 838 VAL 60 H 0.0082 0.0012 0.0028 839 VAL 60 HA 0.0088 0.0013 0.0021 840 VAL 60 HB 0.0063 0.0004 0.0005 841 VAL 60 HG11 0.0058 0.0000 -0.0010 842 VAL 60 HG12 0.0051 0.0001 0.0009 843 VAL 60 HG13 0.0068 0.0005 0.0005 844 VAL 60 HG21 0.0077 0.0004 -0.0022 845 VAL 60 HG22 0.0092 0.0010 -0.0011 846 VAL 60 HG23 0.0087 0.0008 -0.0010 847 PHE 61 N 0.0047 -0.0007 0.0010 848 PHE 61 CA 0.0031 -0.0001 0.0026 849 PHE 61 C 0.0014 -0.0006 0.0018 850 PHE 61 O 0.0019 -0.0011 0.0005 851 PHE 61 CB 0.0042 0.0007 0.0045 852 PHE 61 CG 0.0059 0.0012 0.0055 853 PHE 61 CD1 0.0053 0.0017 0.0068 854 PHE 61 CD2 0.0082 0.0012 0.0051 855 PHE 61 CE1 0.0068 0.0022 0.0077 856 PHE 61 CE2 0.0098 0.0017 0.0061 857 PHE 61 CZ 0.0091 0.0022 0.0074 858 PHE 61 H 0.0054 -0.0009 0.0005 859 PHE 61 HA 0.0023 0.0000 0.0031 860 PHE 61 HB2 0.0050 0.0006 0.0040 861 PHE 61 HB3 0.0031 0.0011 0.0056 862 PHE 61 HD1 0.0037 0.0017 0.0071 863 PHE 61 HD2 0.0087 0.0009 0.0043 864 PHE 61 HE1 0.0063 0.0025 0.0086 865 PHE 61 HE2 0.0113 0.0017 0.0058 866 PHE 61 HZ 0.0101 0.0025 0.0080 867 SER 62 N 0.0018 -0.0027 0.0032 868 SER 62 CA 0.0005 -0.0031 0.0033 869 SER 62 C -0.0008 -0.0026 0.0033 870 SER 62 O -0.0008 -0.0015 0.0030 871 SER 62 CB 0.0005 -0.0024 0.0032 872 SER 62 OG -0.0007 -0.0028 0.0033 873 SER 62 H 0.0023 -0.0022 0.0030 874 SER 62 HA 0.0005 -0.0040 0.0035 875 SER 62 HB2 0.0013 -0.0027 0.0032 876 SER 62 HB3 0.0005 -0.0014 0.0029 877 SER 62 HG -0.0010 -0.0035 0.0035 878 THR 63 N -0.0059 -0.0003 -0.0035 879 THR 63 CA -0.0060 -0.0003 -0.0035 880 THR 63 C -0.0088 0.0018 -0.0020 881 THR 63 O -0.0090 0.0021 -0.0016 882 THR 63 CB -0.0066 -0.0023 -0.0068 883 THR 63 OG1 -0.0098 -0.0022 -0.0084 884 THR 63 CG2 -0.0037 -0.0045 -0.0084 885 THR 63 H -0.0068 -0.0011 -0.0052 886 THR 63 HA -0.0038 -0.0004 -0.0024 887 THR 63 HB -0.0067 -0.0023 -0.0068 888 THR 63 HG1 -0.0101 -0.0033 -0.0102 889 THR 63 HG21 -0.0042 -0.0057 -0.0105 890 THR 63 HG22 -0.0016 -0.0046 -0.0074 891 THR 63 HG23 -0.0034 -0.0046 -0.0084 892 ASN 64 N -0.0076 -0.0023 0.0052 893 ASN 64 CA -0.0066 -0.0027 0.0045 894 ASN 64 C -0.0069 -0.0026 0.0027 895 ASN 64 O -0.0066 -0.0028 0.0019 896 ASN 64 CB -0.0050 -0.0032 0.0049 897 ASN 64 CG -0.0038 -0.0037 0.0044 898 ASN 64 OD1 -0.0039 -0.0036 0.0049 899 ASN 64 ND2 -0.0027 -0.0041 0.0035 900 ASN 64 H -0.0072 -0.0024 0.0052 901 ASN 64 HA -0.0069 -0.0026 0.0050 902 ASN 64 HB2 -0.0049 -0.0033 0.0060 903 ASN 64 HB3 -0.0048 -0.0033 0.0043 904 ASN 64 HD21 -0.0021 -0.0044 0.0032 905 ASN 64 HD22 -0.0027 -0.0041 0.0032 906 ASN 64 N -0.0076 -0.0023 0.0052 907 ASN 64 CA -0.0067 -0.0026 0.0045 908 ASN 64 C -0.0070 -0.0026 0.0027 909 ASN 64 O -0.0070 -0.0026 0.0019 910 ASN 64 CB -0.0051 -0.0032 0.0048 911 ASN 64 CG -0.0046 -0.0033 0.0065 912 ASN 64 OD1 -0.0053 -0.0031 0.0074 913 ASN 64 ND2 -0.0034 -0.0038 0.0070 914 ASN 64 H -0.0072 -0.0025 0.0053 915 ASN 64 HA -0.0070 -0.0025 0.0050 916 ASN 64 HB2 -0.0048 -0.0033 0.0045 917 ASN 64 HB3 -0.0045 -0.0034 0.0041 918 ASN 64 HD21 -0.0031 -0.0038 0.0080 919 ASN 64 HD22 -0.0029 -0.0039 0.0064 920 CYS 65 N -0.0132 0.0018 0.0011 921 CYS 65 CA -0.0132 0.0040 -0.0015 922 CYS 65 C -0.0110 0.0022 -0.0034 923 CYS 65 O -0.0103 -0.0001 -0.0018 924 CYS 65 CB -0.0154 0.0060 0.0000 925 CYS 65 SG -0.0157 0.0088 -0.0029 926 CYS 65 HA -0.0133 0.0053 -0.0030 927 CYS 65 HB2 -0.0168 0.0071 0.0012 928 CYS 65 HB3 -0.0153 0.0046 0.0015 929 CYS 65 H -0.0143 0.0019 0.0031 930 CYS 65 H -0.0141 0.0017 0.0031 931 PRO 66 N -0.0105 -0.0047 -0.0006 932 PRO 66 CA -0.0075 -0.0044 -0.0024 933 PRO 66 C -0.0099 -0.0012 -0.0023 934 PRO 66 O -0.0076 -0.0012 -0.0035 935 PRO 66 CB -0.0033 -0.0022 -0.0055 936 PRO 66 CG -0.0054 0.0008 -0.0056 937 PRO 66 CD -0.0088 -0.0023 -0.0025 938 PRO 66 HA -0.0064 -0.0078 -0.0017 939 PRO 66 HB2 -0.0022 -0.0001 -0.0070 940 PRO 66 HB3 -0.0008 -0.0049 -0.0059 941 PRO 66 HG2 -0.0070 0.0041 -0.0060 942 PRO 66 HG3 -0.0029 0.0011 -0.0071 943 PRO 66 HD2 -0.0114 -0.0001 -0.0019 944 PRO 66 HD3 -0.0072 -0.0048 -0.0024 945 HIS 67 N -0.0140 0.0102 -0.0226 946 HIS 67 CA -0.0131 0.0087 -0.0214 947 HIS 67 C -0.0121 0.0077 -0.0199 948 HIS 67 O -0.0121 0.0057 -0.0201 949 HIS 67 CB -0.0125 0.0099 -0.0204 950 HIS 67 CG -0.0116 0.0085 -0.0190 951 HIS 67 ND1 -0.0105 0.0093 -0.0171 952 HIS 67 CD2 -0.0116 0.0064 -0.0191 953 HIS 67 CE1 -0.0099 0.0078 -0.0162 954 HIS 67 NE2 -0.0105 0.0059 -0.0174 955 HIS 67 H -0.0139 0.0116 -0.0224 956 HIS 67 HA -0.0134 0.0074 -0.0221 957 HIS 67 HB2 -0.0132 0.0104 -0.0213 958 HIS 67 HB3 -0.0122 0.0112 -0.0197 959 HIS 67 HD2 -0.0122 0.0054 -0.0202 960 HIS 67 HE1 -0.0091 0.0079 -0.0150 961 HIS 67 HE2 -0.0102 0.0047 -0.0171 962 LEU 68 N -0.0175 0.0051 -0.0196 963 LEU 68 CA -0.0105 0.0054 -0.0159 964 LEU 68 C -0.0052 0.0267 -0.0246 965 LEU 68 O 0.0064 0.0306 -0.0203 966 LEU 68 CB 0.0069 -0.0053 -0.0006 967 LEU 68 CG 0.0008 -0.0280 0.0084 968 LEU 68 CD1 0.0190 -0.0369 0.0232 969 LEU 68 CD2 -0.0147 -0.0381 0.0053 970 LEU 68 H -0.0105 0.0145 -0.0209 971 LEU 68 HA -0.0212 -0.0022 -0.0177 972 LEU 68 HB2 0.0169 -0.0001 0.0020 973 LEU 68 HB3 0.0126 -0.0026 0.0011 974 LEU 68 HG -0.0051 -0.0307 0.0066 975 LEU 68 HD11 0.0149 -0.0513 0.0288 976 LEU 68 HD12 0.0285 -0.0311 0.0253 977 LEU 68 HD13 0.0251 -0.0337 0.0248 978 LEU 68 HD21 -0.0156 -0.0525 0.0127 979 LEU 68 HD22 -0.0107 -0.0327 0.0046 980 LEU 68 HD23 -0.0276 -0.0354 -0.0032 981 GLY 69 N -0.0098 0.0026 -0.0012 982 GLY 69 CA -0.0098 0.0018 0.0008 983 GLY 69 C -0.0117 0.0031 0.0030 984 GLY 69 O -0.0116 0.0024 0.0050 985 GLY 69 H -0.0101 0.0034 -0.0026 986 GLY 69 HA2 -0.0094 0.0018 -0.0002 987 GLY 69 HA3 -0.0087 0.0004 0.0017 988 CYS 70 N -0.0096 0.0040 0.0105 989 CYS 70 CA -0.0089 0.0093 0.0131 990 CYS 70 C -0.0123 0.0139 0.0106 991 CYS 70 O -0.0154 0.0130 0.0067 992 CYS 70 CB -0.0078 0.0097 0.0145 993 CYS 70 SG -0.0032 0.0055 0.0186 994 CYS 70 H -0.0096 0.0019 0.0098 995 CYS 70 HA -0.0069 0.0098 0.0157 996 CYS 70 HB2 -0.0096 0.0085 0.0120 997 CYS 70 HB3 -0.0078 0.0135 0.0158 998 GLY 71 N -0.0246 0.0026 0.0084 999 GLY 71 CA -0.0223 0.0031 0.0058 1000 GLY 71 C -0.0205 0.0073 0.0052 1001 GLY 71 O -0.0214 0.0102 0.0074 1002 GLY 71 H -0.0261 0.0024 0.0102 1003 GLY 71 HA2 -0.0213 0.0014 0.0038 1004 GLY 71 HA3 -0.0230 0.0024 0.0063 1005 ILE 72 N -0.0161 0.0024 0.0006 1006 ILE 72 CA -0.0140 0.0042 0.0008 1007 ILE 72 C -0.0129 0.0034 -0.0000 1008 ILE 72 O -0.0125 0.0014 -0.0013 1009 ILE 72 CB -0.0119 0.0045 0.0003 1010 ILE 72 CG1 -0.0129 0.0056 0.0012 1011 ILE 72 CG2 -0.0095 0.0060 0.0002 1012 ILE 72 CD1 -0.0111 0.0058 0.0007 1013 ILE 72 H -0.0157 0.0014 -0.0001 1014 ILE 72 HA -0.0145 0.0057 0.0019 1015 ILE 72 HB -0.0116 0.0030 -0.0007 1016 ILE 72 HG12 -0.0131 0.0072 0.0022 1017 ILE 72 HG13 -0.0145 0.0046 0.0013 1018 ILE 72 HG21 -0.0083 0.0064 -0.0000 1019 ILE 72 HG22 -0.0088 0.0051 -0.0005 1020 ILE 72 HG23 -0.0099 0.0074 0.0012 1021 ILE 72 HD11 -0.0117 0.0067 0.0014 1022 ILE 72 HD12 -0.0111 0.0042 -0.0002 1023 ILE 72 HD13 -0.0094 0.0065 0.0005 1024 ASP 73 N -0.0118 0.0020 -0.0003 1025 ASP 73 CA -0.0087 0.0021 -0.0021 1026 ASP 73 C -0.0050 0.0034 -0.0022 1027 ASP 73 O -0.0045 0.0047 0.0000 1028 ASP 73 CB -0.0086 0.0032 -0.0001 1029 ASP 73 CG -0.0121 0.0020 -0.0001 1030 ASP 73 OD1 -0.0137 0.0000 -0.0027 1031 ASP 73 OD2 -0.0132 0.0031 0.0027 1032 ASP 73 H -0.0120 0.0031 0.0020 1033 ASP 73 HA -0.0091 0.0007 -0.0046 1034 ASP 73 HB2 -0.0083 0.0046 0.0023 1035 ASP 73 HB3 -0.0064 0.0034 -0.0013 1036 TRP 74 N -0.0022 -0.0120 -0.0072 1037 TRP 74 CA -0.0004 -0.0119 -0.0067 1038 TRP 74 C -0.0016 -0.0121 -0.0071 1039 TRP 74 O -0.0029 -0.0139 -0.0076 1040 TRP 74 CB 0.0014 -0.0139 -0.0064 1041 TRP 74 CG 0.0032 -0.0141 -0.0060 1042 TRP 74 CD1 0.0033 -0.0158 -0.0061 1043 TRP 74 CD2 0.0050 -0.0124 -0.0053 1044 TRP 74 NE1 0.0051 -0.0154 -0.0056 1045 TRP 74 CE2 0.0062 -0.0132 -0.0051 1046 TRP 74 CE3 0.0058 -0.0103 -0.0049 1047 TRP 74 CZ2 0.0082 -0.0121 -0.0045 1048 TRP 74 CZ3 0.0077 -0.0091 -0.0043 1049 TRP 74 CH2 0.0089 -0.0100 -0.0041 1050 TRP 74 H -0.0027 -0.0134 -0.0075 1051 TRP 74 HA 0.0004 -0.0103 -0.0064 1052 TRP 74 HB2 0.0023 -0.0137 -0.0062 1053 TRP 74 HB3 0.0006 -0.0155 -0.0068 1054 TRP 74 HD1 0.0023 -0.0171 -0.0065 1055 TRP 74 HE1 0.0056 -0.0162 -0.0055 1056 TRP 74 HE3 0.0050 -0.0097 -0.0051 1057 TRP 74 HZ2 0.0090 -0.0127 -0.0043 1058 TRP 74 HZ3 0.0083 -0.0077 -0.0041 1059 TRP 74 HH2 0.0102 -0.0092 -0.0037 1060 ALA 75 N -0.0030 -0.0087 0.0034 1061 ALA 75 CA -0.0037 -0.0082 0.0034 1062 ALA 75 C -0.0017 -0.0086 0.0034 1063 ALA 75 O -0.0001 -0.0073 0.0038 1064 ALA 75 CB -0.0046 -0.0059 0.0038 1065 ALA 75 H -0.0023 -0.0077 0.0036 1066 ALA 75 HA -0.0049 -0.0092 0.0032 1067 ALA 75 HB1 -0.0050 -0.0056 0.0039 1068 ALA 75 HB2 -0.0059 -0.0057 0.0038 1069 ALA 75 HB3 -0.0034 -0.0049 0.0041 1070 ASN 76 N -0.0069 -0.0107 0.0060 1071 ASN 76 CA -0.0076 -0.0074 0.0030 1072 ASN 76 C -0.0060 -0.0064 0.0043 1073 ASN 76 O -0.0070 -0.0047 0.0019 1074 ASN 76 CB -0.0065 -0.0032 0.0016 1075 ASN 76 CG -0.0093 -0.0027 -0.0025 1076 ASN 76 OD1 -0.0115 -0.0030 -0.0053 1077 ASN 76 ND2 -0.0092 -0.0019 -0.0029 1078 ASN 76 H -0.0056 -0.0097 0.0070 1079 ASN 76 HA -0.0098 -0.0086 0.0007 1080 ASN 76 HB2 -0.0052 -0.0033 0.0034 1081 ASN 76 HB3 -0.0054 -0.0007 0.0015 1082 ASN 76 HD21 -0.0076 -0.0017 -0.0008 1083 ASN 76 HD22 -0.0107 -0.0016 -0.0051 1084 ASP 77 N -0.0282 0.0465 0.0363 1085 ASP 77 CA -0.0469 0.0146 0.0178 1086 ASP 77 C -0.0706 -0.0283 -0.0071 1087 ASP 77 O -0.1158 -0.0406 -0.0158 1088 ASP 77 CB -0.0040 0.0039 0.0136 1089 ASP 77 CG 0.0478 -0.0152 0.0051 1090 ASP 77 OD1 0.0563 -0.0199 0.0028 1091 ASP 77 OD2 0.0828 -0.0260 0.0006 1092 ASP 77 H 0.0055 0.0472 0.0380 1093 ASP 77 HA -0.0751 0.0296 0.0249 1094 ASP 77 HB2 -0.0174 -0.0189 0.0004 1095 ASP 77 HB3 0.0038 0.0322 0.0296 1096 VAL 78 N -0.0115 -0.0149 0.0042 1097 VAL 78 CA -0.0101 -0.0134 0.0033 1098 VAL 78 C -0.0075 -0.0116 0.0081 1099 VAL 78 O -0.0064 -0.0105 0.0081 1100 VAL 78 CB -0.0080 -0.0105 -0.0019 1101 VAL 78 CG1 -0.0108 -0.0125 -0.0067 1102 VAL 78 CG2 -0.0046 -0.0072 -0.0015 1103 VAL 78 H -0.0100 -0.0133 0.0033 1104 VAL 78 HA -0.0123 -0.0154 0.0027 1105 VAL 78 HB -0.0070 -0.0095 -0.0023 1106 VAL 78 HG11 -0.0094 -0.0107 -0.0099 1107 VAL 78 HG12 -0.0129 -0.0145 -0.0070 1108 VAL 78 HG13 -0.0118 -0.0135 -0.0064 1109 VAL 78 HG21 -0.0031 -0.0054 -0.0045 1110 VAL 78 HG22 -0.0055 -0.0082 -0.0014 1111 VAL 78 HG23 -0.0029 -0.0061 0.0018 1112 SER 79 N 0.0024 -0.0059 0.0037 1113 SER 79 CA 0.0080 -0.0082 0.0040 1114 SER 79 C 0.0089 -0.0037 0.0044 1115 SER 79 O 0.0142 -0.0009 0.0050 1116 SER 79 CB 0.0144 -0.0088 0.0045 1117 SER 79 OG 0.0138 -0.0143 0.0041 1118 SER 79 H -0.0004 -0.0090 0.0033 1119 SER 79 HA 0.0069 -0.0126 0.0037 1120 SER 79 HB2 0.0151 -0.0048 0.0049 1121 SER 79 HB3 0.0181 -0.0096 0.0048 1122 SER 79 HG 0.0173 -0.0147 0.0044 1123 ARG 80 N 0.0085 -0.0025 0.0026 1124 ARG 80 CA 0.0052 -0.0004 0.0041 1125 ARG 80 C -0.0017 -0.0063 0.0025 1126 ARG 80 O -0.0058 -0.0099 0.0015 1127 ARG 80 CB 0.0017 0.0074 0.0085 1128 ARG 80 CG 0.0074 0.0140 0.0107 1129 ARG 80 CD 0.0148 0.0158 0.0102 1130 ARG 80 NE 0.0189 0.0233 0.0131 1131 ARG 80 CZ 0.0264 0.0258 0.0130 1132 ARG 80 NH1 0.0310 0.0215 0.0102 1133 ARG 80 NH2 0.0294 0.0328 0.0159 1134 ARG 80 H 0.0046 -0.0041 0.0025 1135 ARG 80 HA 0.0097 -0.0003 0.0034 1136 ARG 80 HB2 -0.0031 0.0071 0.0092 1137 ARG 80 HB3 0.0000 0.0086 0.0093 1138 ARG 80 HG2 0.0096 0.0128 0.0097 1139 ARG 80 HG3 0.0043 0.0186 0.0134 1140 ARG 80 HD2 0.0129 0.0159 0.0106 1141 ARG 80 HD3 0.0188 0.0120 0.0077 1142 ARG 80 HE 0.0162 0.0263 0.0150 1143 ARG 80 HH11 0.0291 0.0170 0.0084 1144 ARG 80 HH12 0.0359 0.0232 0.0102 1145 ARG 80 HH21 0.0265 0.0356 0.0177 1146 ARG 80 HH22 0.0343 0.0345 0.0158 1147 PHE 81 N 0.0026 0.0032 0.0031 1148 PHE 81 CA -0.0013 0.0021 0.0022 1149 PHE 81 C -0.0041 0.0044 0.0041 1150 PHE 81 O -0.0037 0.0070 0.0064 1151 PHE 81 CB -0.0019 0.0016 0.0017 1152 PHE 81 CG 0.0002 -0.0009 -0.0005 1153 PHE 81 CD1 -0.0009 -0.0037 -0.0029 1154 PHE 81 CD2 0.0032 -0.0007 -0.0002 1155 PHE 81 CE1 0.0009 -0.0061 -0.0050 1156 PHE 81 CE2 0.0051 -0.0031 -0.0023 1157 PHE 81 CZ 0.0039 -0.0058 -0.0047 1158 PHE 81 H 0.0037 0.0039 0.0038 1159 PHE 81 HA -0.0017 0.0003 0.0006 1160 PHE 81 HB2 -0.0010 0.0033 0.0032 1161 PHE 81 HB3 -0.0046 0.0013 0.0014 1162 PHE 81 HD1 -0.0029 -0.0039 -0.0031 1163 PHE 81 HD2 0.0040 0.0012 0.0014 1164 PHE 81 HE1 0.0001 -0.0079 -0.0066 1165 PHE 81 HE2 0.0071 -0.0029 -0.0021 1166 PHE 81 HZ 0.0052 -0.0074 -0.0061 1167 LEU 82 N -0.0105 0.0085 0.0079 1168 LEU 82 CA -0.0117 0.0094 0.0077 1169 LEU 82 C -0.0128 0.0096 0.0071 1170 LEU 82 O -0.0131 0.0085 0.0066 1171 LEU 82 CB -0.0123 0.0088 0.0071 1172 LEU 82 CG -0.0113 0.0084 0.0075 1173 LEU 82 CD1 -0.0120 0.0079 0.0070 1174 LEU 82 CD2 -0.0107 0.0097 0.0083 1175 LEU 82 H -0.0107 0.0077 0.0076 1176 LEU 82 HA -0.0114 0.0103 0.0081 1177 LEU 82 HB2 -0.0126 0.0079 0.0067 1178 LEU 82 HB3 -0.0130 0.0095 0.0070 1179 LEU 82 HG -0.0106 0.0077 0.0076 1180 LEU 82 HD11 -0.0114 0.0077 0.0072 1181 LEU 82 HD12 -0.0124 0.0070 0.0065 1182 LEU 82 HD13 -0.0128 0.0086 0.0068 1183 LEU 82 HD21 -0.0101 0.0095 0.0085 1184 LEU 82 HD22 -0.0114 0.0105 0.0082 1185 LEU 82 HD23 -0.0101 0.0100 0.0087 1186 CYS 83 N -0.0129 0.0159 0.0048 1187 CYS 83 CA -0.0118 0.0154 0.0055 1188 CYS 83 C -0.0105 0.0149 0.0063 1189 CYS 83 O -0.0104 0.0136 0.0061 1190 CYS 83 CB -0.0121 0.0140 0.0050 1191 CYS 83 SG -0.0107 0.0136 0.0059 1192 CYS 83 H -0.0132 0.0151 0.0045 1193 CYS 83 HA -0.0118 0.0164 0.0057 1194 CYS 83 HB2 -0.0130 0.0143 0.0046 1195 CYS 83 HB3 -0.0123 0.0131 0.0048 1196 PRO 84 N -0.0089 0.0112 0.0170 1197 PRO 84 CA -0.0101 0.0143 0.0246 1198 PRO 84 C -0.0005 0.0023 0.0270 1199 PRO 84 O -0.0010 0.0040 0.0319 1200 PRO 84 CB -0.0130 0.0217 0.0413 1201 PRO 84 CG -0.0082 0.0162 0.0451 1202 PRO 84 CD -0.0085 0.0132 0.0289 1203 PRO 84 HA -0.0156 0.0202 0.0181 1204 PRO 84 HB2 -0.0104 0.0200 0.0495 1205 PRO 84 HB3 -0.0203 0.0312 0.0403 1206 PRO 84 HG2 -0.0012 0.0082 0.0505 1207 PRO 84 HG3 -0.0120 0.0227 0.0522 1208 PRO 84 HD2 -0.0025 0.0052 0.0289 1209 PRO 84 HD3 -0.0145 0.0206 0.0265 1210 CYS 85 N 0.0052 0.0155 0.0180 1211 CYS 85 CA 0.0141 0.0124 0.0154 1212 CYS 85 C 0.0138 0.0058 0.0076 1213 CYS 85 O 0.0188 0.0028 0.0047 1214 CYS 85 CB 0.0189 0.0143 0.0181 1215 CYS 85 SG 0.0233 0.0215 0.0269 1216 CYS 85 H 0.0033 0.0172 0.0198 1217 CYS 85 HA 0.0176 0.0135 0.0170 1218 CYS 85 HB2 0.0147 0.0146 0.0180 1219 CYS 85 HB3 0.0239 0.0115 0.0153 1220 HIS 86 N 0.0126 0.0273 -0.0013 1221 HIS 86 CA 0.0114 0.0139 -0.0092 1222 HIS 86 C -0.0031 0.0153 -0.0162 1223 HIS 86 O -0.0085 0.0050 -0.0246 1224 HIS 86 CB 0.0143 0.0020 -0.0142 1225 HIS 86 CG 0.0271 0.0018 -0.0075 1226 HIS 86 ND1 0.0264 0.0082 -0.0044 1227 HIS 86 CD2 0.0409 -0.0037 -0.0032 1228 HIS 86 CE1 0.0393 0.0066 0.0016 1229 HIS 86 NE2 0.0483 -0.0005 0.0025 1230 HIS 86 H 0.0054 0.0316 -0.0028 1231 HIS 86 HA 0.0184 0.0114 -0.0069 1232 HIS 86 HB2 0.0063 0.0030 -0.0178 1233 HIS 86 HB3 0.0157 -0.0069 -0.0182 1234 HIS 86 HD2 0.0447 -0.0086 -0.0039 1235 HIS 86 HE1 0.0418 0.0099 0.0046 1236 HIS 86 HE2 0.0573 -0.0027 0.0061 1237 GLU 87 N 0.0031 0.0143 -0.0217 1238 GLU 87 CA 0.0002 0.0016 -0.0144 1239 GLU 87 C -0.0284 0.0018 -0.0059 1240 GLU 87 O -0.0362 -0.0158 0.0052 1241 GLU 87 CB 0.0144 -0.0243 -0.0058 1242 GLU 87 CG 0.0436 -0.0257 -0.0138 1243 GLU 87 CD 0.0581 -0.0514 -0.0054 1244 GLU 87 OE1 0.0542 -0.0637 0.0019 1245 GLU 87 OE2 0.0734 -0.0592 -0.0061 1246 GLU 87 H 0.0105 0.0272 -0.0304 1247 GLU 87 HA 0.0081 0.0102 -0.0211 1248 GLU 87 HB2 0.0066 -0.0333 0.0011 1249 GLU 87 HB3 0.0127 -0.0318 -0.0015 1250 GLU 87 HG2 0.0514 -0.0154 -0.0214 1251 GLU 87 HG3 0.0457 -0.0203 -0.0172 1252 GLY 88 N -0.0073 0.0046 -0.0059 1253 GLY 88 CA -0.0096 0.0052 -0.0032 1254 GLY 88 C -0.0117 0.0038 -0.0016 1255 GLY 88 O -0.0113 0.0040 -0.0019 1256 GLY 88 H -0.0062 0.0064 -0.0064 1257 GLY 88 HA2 -0.0101 0.0041 -0.0032 1258 GLY 88 HA3 -0.0094 0.0075 -0.0024 1259 VAL 89 N -0.0079 0.0001 0.0103 1260 VAL 89 CA -0.0075 0.0005 0.0098 1261 VAL 89 C -0.0082 0.0004 0.0093 1262 VAL 89 O -0.0088 -0.0000 0.0098 1263 VAL 89 CB -0.0067 0.0005 0.0103 1264 VAL 89 CG1 -0.0063 0.0009 0.0098 1265 VAL 89 CG2 -0.0060 0.0005 0.0108 1266 VAL 89 H -0.0083 -0.0002 0.0106 1267 VAL 89 HA -0.0072 0.0008 0.0093 1268 VAL 89 HB -0.0070 0.0002 0.0108 1269 VAL 89 HG11 -0.0057 0.0010 0.0101 1270 VAL 89 HG12 -0.0067 0.0009 0.0096 1271 VAL 89 HG13 -0.0061 0.0013 0.0093 1272 VAL 89 HG21 -0.0055 0.0005 0.0112 1273 VAL 89 HG22 -0.0057 0.0008 0.0104 1274 VAL 89 HG23 -0.0063 0.0002 0.0112 1275 PHE 90 N -0.0046 0.0034 0.0028 1276 PHE 90 CA -0.0028 0.0032 0.0035 1277 PHE 90 C -0.0011 0.0016 0.0037 1278 PHE 90 O -0.0014 0.0001 0.0028 1279 PHE 90 CB -0.0034 0.0025 0.0030 1280 PHE 90 CG -0.0053 0.0037 0.0025 1281 PHE 90 CD1 -0.0071 0.0031 0.0014 1282 PHE 90 CD2 -0.0053 0.0054 0.0033 1283 PHE 90 CE1 -0.0090 0.0042 0.0010 1284 PHE 90 CE2 -0.0071 0.0065 0.0029 1285 PHE 90 CZ -0.0089 0.0059 0.0018 1286 PHE 90 H -0.0048 0.0022 0.0021 1287 PHE 90 HA -0.0024 0.0045 0.0043 1288 PHE 90 HB2 -0.0035 0.0011 0.0023 1289 PHE 90 HB3 -0.0023 0.0027 0.0036 1290 PHE 90 HD1 -0.0071 0.0020 0.0009 1291 PHE 90 HD2 -0.0041 0.0058 0.0040 1292 PHE 90 HE1 -0.0102 0.0038 0.0002 1293 PHE 90 HE2 -0.0071 0.0076 0.0034 1294 PHE 90 HZ -0.0101 0.0066 0.0015 1295 ASP 91 N 0.0039 -0.0001 0.0060 1296 ASP 91 CA 0.0044 0.0013 0.0047 1297 ASP 91 C 0.0041 0.0011 0.0034 1298 ASP 91 O 0.0036 -0.0001 0.0035 1299 ASP 91 CB 0.0044 0.0016 0.0038 1300 ASP 91 CG 0.0037 0.0004 0.0025 1301 ASP 91 OD1 0.0032 -0.0005 0.0019 1302 ASP 91 OD2 0.0037 0.0005 0.0021 1303 ASP 91 H 0.0036 -0.0008 0.0058 1304 ASP 91 HA 0.0049 0.0023 0.0053 1305 ASP 91 HB2 0.0049 0.0027 0.0032 1306 ASP 91 HB3 0.0046 0.0016 0.0048 1307 VAL 92 N 0.0168 -0.0016 0.0067 1308 VAL 92 CA 0.0171 -0.0044 0.0026 1309 VAL 92 C 0.0155 -0.0015 0.0050 1310 VAL 92 O 0.0146 -0.0029 0.0014 1311 VAL 92 CB 0.0231 -0.0100 0.0018 1312 VAL 92 CG1 0.0277 -0.0101 0.0080 1313 VAL 92 CG2 0.0232 -0.0136 -0.0040 1314 VAL 92 H 0.0201 -0.0031 0.0088 1315 VAL 92 HA 0.0143 -0.0046 -0.0018 1316 VAL 92 HB 0.0240 -0.0112 0.0010 1317 VAL 92 HG11 0.0315 -0.0136 0.0077 1318 VAL 92 HG12 0.0273 -0.0075 0.0117 1319 VAL 92 HG13 0.0271 -0.0095 0.0084 1320 VAL 92 HG21 0.0270 -0.0171 -0.0043 1321 VAL 92 HG22 0.0223 -0.0124 -0.0034 1322 VAL 92 HG23 0.0204 -0.0136 -0.0079 1323 ASN 93 N 0.0171 -0.0126 0.0108 1324 ASN 93 CA 0.0121 -0.0018 0.0192 1325 ASN 93 C 0.0030 0.0114 0.0149 1326 ASN 93 O -0.0016 0.0213 0.0224 1327 ASN 93 CB 0.0158 -0.0024 0.0360 1328 ASN 93 CG 0.0243 -0.0143 0.0417 1329 ASN 93 OD1 0.0259 -0.0184 0.0371 1330 ASN 93 ND2 0.0298 -0.0200 0.0514 1331 ASN 93 H 0.0189 -0.0143 0.0148 1332 ASN 93 HA 0.0123 -0.0028 0.0172 1333 ASN 93 HB2 0.0161 -0.0024 0.0378 1334 ASN 93 HB3 0.0122 0.0052 0.0414 1335 ASN 93 HD21 0.0284 -0.0169 0.0542 1336 ASN 93 HD22 0.0347 -0.0269 0.0550 1337 GLY 94 N 0.0024 0.0048 0.0064 1338 GLY 94 CA 0.0031 0.0060 0.0056 1339 GLY 94 C 0.0032 0.0058 0.0050 1340 GLY 94 O 0.0038 0.0069 0.0042 1341 GLY 94 H 0.0024 0.0041 0.0059 1342 GLY 94 HA2 0.0034 0.0061 0.0047 1343 GLY 94 HA3 0.0031 0.0071 0.0062 1344 LYS 95 N 0.0026 0.0066 0.0221 1345 LYS 95 CA 0.0062 -0.0050 0.0094 1346 LYS 95 C 0.0150 -0.0099 0.0044 1347 LYS 95 O 0.0100 -0.0077 0.0066 1348 LYS 95 CB -0.0094 -0.0111 0.0020 1349 LYS 95 CG -0.0066 -0.0232 -0.0112 1350 LYS 95 CD -0.0221 -0.0298 -0.0192 1351 LYS 95 CE -0.0186 -0.0421 -0.0327 1352 LYS 95 NZ -0.0009 -0.0453 -0.0355 1353 LYS 95 H -0.0074 0.0081 0.0234 1354 LYS 95 HA 0.0132 -0.0059 0.0087 1355 LYS 95 HB2 -0.0151 -0.0078 0.0055 1356 LYS 95 HB3 -0.0162 -0.0106 0.0023 1357 LYS 95 HG2 0.0017 -0.0262 -0.0143 1358 LYS 95 HG3 -0.0031 -0.0239 -0.0119 1359 LYS 95 HD2 -0.0300 -0.0276 -0.0171 1360 LYS 95 HD3 -0.0266 -0.0284 -0.0178 1361 LYS 95 HE2 -0.0239 -0.0447 -0.0358 1362 LYS 95 HE3 -0.0229 -0.0458 -0.0369 1363 LYS 95 HZ1 0.0044 -0.0432 -0.0330 1364 LYS 95 HZ2 0.0003 -0.0525 -0.0435 1365 LYS 95 HZ3 0.0035 -0.0421 -0.0318 1366 THR 96 N 0.0028 -0.0110 0.0047 1367 THR 96 CA 0.0027 -0.0114 0.0025 1368 THR 96 C 0.0022 -0.0129 0.0022 1369 THR 96 O 0.0022 -0.0126 0.0030 1370 THR 96 CB 0.0034 -0.0095 0.0014 1371 THR 96 OG1 0.0040 -0.0079 0.0021 1372 THR 96 CG2 0.0033 -0.0098 -0.0009 1373 THR 96 H 0.0032 -0.0099 0.0052 1374 THR 96 HA 0.0026 -0.0118 0.0019 1375 THR 96 HB 0.0035 -0.0092 0.0017 1376 THR 96 HG1 0.0043 -0.0069 0.0015 1377 THR 96 HG21 0.0038 -0.0085 -0.0016 1378 THR 96 HG22 0.0031 -0.0104 -0.0015 1379 THR 96 HG23 0.0030 -0.0106 -0.0012 1380 ILE 97 N -0.0030 -0.0146 0.0139 1381 ILE 97 CA -0.0018 -0.0143 0.0152 1382 ILE 97 C 0.0008 -0.0157 0.0195 1383 ILE 97 O 0.0016 -0.0163 0.0209 1384 ILE 97 CB -0.0009 -0.0100 0.0135 1385 ILE 97 CG1 0.0018 -0.0065 0.0146 1386 ILE 97 CG2 -0.0038 -0.0090 0.0092 1387 ILE 97 CD1 0.0030 -0.0021 0.0131 1388 ILE 97 H -0.0016 -0.0130 0.0146 1389 ILE 97 HA -0.0036 -0.0163 0.0144 1390 ILE 97 HB -0.0002 -0.0100 0.0144 1391 ILE 97 HG12 0.0012 -0.0063 0.0136 1392 ILE 97 HG13 0.0036 -0.0072 0.0173 1393 ILE 97 HG21 -0.0033 -0.0065 0.0081 1394 ILE 97 HG22 -0.0056 -0.0114 0.0086 1395 ILE 97 HG23 -0.0042 -0.0085 0.0083 1396 ILE 97 HD11 0.0049 -0.0002 0.0142 1397 ILE 97 HD12 0.0034 -0.0023 0.0137 1398 ILE 97 HD13 0.0013 -0.0011 0.0104 1399 SER 98 N -0.0082 -0.0152 0.0131 1400 SER 98 C -0.0052 -0.0113 0.0057 1401 SER 98 O -0.0064 -0.0069 0.0038 1402 SER 98 CA -0.0053 -0.0168 0.0103 1403 SER 98 CB -0.0007 -0.0222 0.0079 1404 SER 98 OG 0.0018 -0.0207 0.0030 1405 SER 98 H -0.0088 -0.0118 0.0113 1406 SER 98 HA -0.0065 -0.0181 0.0130 1407 SER 98 HB2 0.0008 -0.0237 0.0069 1408 SER 98 HB3 -0.0010 -0.0253 0.0108 1409 SER 98 HG 0.0022 -0.0182 0.0004 1410 SER 98 CA -0.0051 -0.0169 0.0100 1411 SER 98 CB -0.0005 -0.0217 0.0071 1412 SER 98 OG 0.0023 -0.0245 0.0053 1413 SER 98 H -0.0089 -0.0117 0.0114 1414 SER 98 HA -0.0059 -0.0186 0.0126 1415 SER 98 HB2 -0.0006 -0.0247 0.0098 1416 SER 98 HB3 0.0007 -0.0197 0.0038 1417 SER 98 HG 0.0020 -0.0218 0.0037 1418 GLY 99 N -0.0043 -0.0120 -0.0030 1419 GLY 99 CA -0.0034 -0.0064 -0.0075 1420 GLY 99 C -0.0039 0.0004 -0.0050 1421 GLY 99 O -0.0050 0.0008 0.0004 1422 GLY 99 H -0.0042 -0.0141 -0.0034 1423 GLY 99 HA2 -0.0025 -0.0074 -0.0118 1424 GLY 99 HA3 -0.0032 -0.0057 -0.0083 1425 PRO 100 N -0.0053 0.0055 -0.0152 1426 PRO 100 CA -0.0031 0.0093 -0.0154 1427 PRO 100 C -0.0031 0.0135 -0.0107 1428 PRO 100 O -0.0010 0.0169 -0.0108 1429 PRO 100 CB 0.0004 0.0113 -0.0199 1430 PRO 100 CG 0.0001 0.0110 -0.0198 1431 PRO 100 CD -0.0034 0.0061 -0.0183 1432 PRO 100 HA -0.0037 0.0077 -0.0160 1433 PRO 100 HB2 0.0021 0.0147 -0.0195 1434 PRO 100 HB3 0.0008 0.0093 -0.0231 1435 PRO 100 HG2 0.0005 0.0137 -0.0174 1436 PRO 100 HG3 0.0018 0.0109 -0.0232 1437 PRO 100 HD2 -0.0043 0.0063 -0.0163 1438 PRO 100 HD3 -0.0035 0.0034 -0.0213 1439 ALA 101 N -0.0149 0.0193 -0.0121 1440 ALA 101 CA -0.0124 0.0189 -0.0101 1441 ALA 101 C -0.0087 0.0232 -0.0067 1442 ALA 101 O -0.0064 0.0239 -0.0047 1443 ALA 101 CB -0.0102 0.0128 -0.0088 1444 ALA 101 H -0.0147 0.0163 -0.0122 1445 ALA 101 HA -0.0145 0.0197 -0.0117 1446 ALA 101 HB1 -0.0086 0.0127 -0.0075 1447 ALA 101 HB2 -0.0126 0.0101 -0.0110 1448 ALA 101 HB3 -0.0082 0.0119 -0.0072 1449 PRO 102 N -0.0043 0.0357 -0.0068 1450 PRO 102 CA 0.0061 0.0466 -0.0008 1451 PRO 102 C 0.0254 0.0388 -0.0029 1452 PRO 102 O 0.0353 0.0469 0.0017 1453 PRO 102 CB -0.0077 0.0477 -0.0014 1454 PRO 102 CG -0.0167 0.0302 -0.0105 1455 PRO 102 CD -0.0201 0.0267 -0.0124 1456 PRO 102 HA 0.0078 0.0581 0.0048 1457 PRO 102 HB2 -0.0007 0.0494 -0.0000 1458 PRO 102 HB3 -0.0172 0.0572 0.0023 1459 PRO 102 HG2 -0.0079 0.0214 -0.0139 1460 PRO 102 HG3 -0.0287 0.0306 -0.0112 1461 PRO 102 HD2 -0.0193 0.0142 -0.0182 1462 PRO 102 HD3 -0.0325 0.0315 -0.0111 1463 ARG 103 N 0.0090 0.0235 -0.0139 1464 ARG 103 CA 0.0206 0.0196 -0.0243 1465 ARG 103 C 0.0176 0.0202 -0.0216 1466 ARG 103 O 0.0067 0.0215 -0.0117 1467 ARG 103 CB 0.0261 0.0023 -0.0285 1468 ARG 103 CG 0.0167 -0.0118 -0.0193 1469 ARG 103 CD 0.0233 -0.0286 -0.0244 1470 ARG 103 NE 0.0290 -0.0290 -0.0296 1471 ARG 103 CZ 0.0381 -0.0398 -0.0374 1472 ARG 103 NH1 0.0425 -0.0518 -0.0408 1473 ARG 103 NH2 0.0425 -0.0389 -0.0415 1474 ARG 103 H 0.0025 0.0223 -0.0079 1475 ARG 103 HA 0.0267 0.0279 -0.0303 1476 ARG 103 HB2 0.0329 -0.0007 -0.0345 1477 ARG 103 HB3 0.0291 0.0028 -0.0313 1478 ARG 103 HG2 0.0123 -0.0124 -0.0152 1479 ARG 103 HG3 0.0109 -0.0096 -0.0140 1480 ARG 103 HD2 0.0298 -0.0305 -0.0303 1481 ARG 103 HD3 0.0173 -0.0375 -0.0185 1482 ARG 103 HE 0.0263 -0.0218 -0.0275 1483 ARG 103 HH11 0.0394 -0.0527 -0.0380 1484 ARG 103 HH12 0.0484 -0.0587 -0.0459 1485 ARG 103 HH21 0.0395 -0.0314 -0.0391 1486 ARG 103 HH22 0.0484 -0.0458 -0.0466 1487 GLY 104 N 0.0146 0.0108 -0.0104 1488 GLY 104 CA 0.0108 0.0052 -0.0075 1489 GLY 104 C 0.0102 -0.0029 -0.0034 1490 GLY 104 O 0.0123 -0.0042 -0.0028 1491 GLY 104 H 0.0200 0.0117 -0.0108 1492 GLY 104 HA2 0.0051 0.0068 -0.0082 1493 GLY 104 HA3 0.0143 0.0047 -0.0073 1494 MET 105 N 0.0002 0.0029 0.0002 1495 MET 105 CA -0.0003 0.0009 0.0006 1496 MET 105 C 0.0009 -0.0008 -0.0004 1497 MET 105 O 0.0023 -0.0005 -0.0016 1498 MET 105 CB -0.0004 0.0013 0.0007 1499 MET 105 CG -0.0019 0.0026 0.0020 1500 MET 105 SD -0.0019 0.0037 0.0020 1501 MET 105 CE -0.0020 0.0013 0.0021 1502 MET 105 H 0.0005 0.0038 -0.0000 1503 MET 105 HA -0.0013 0.0006 0.0015 1504 MET 105 HB2 0.0005 0.0020 -0.0001 1505 MET 105 HB3 -0.0006 -0.0001 0.0008 1506 MET 105 HG2 -0.0028 0.0018 0.0028 1507 MET 105 HG3 -0.0019 0.0038 0.0020 1508 MET 105 HE1 -0.0021 0.0017 0.0021 1509 MET 105 HE2 -0.0010 0.0005 0.0012 1510 MET 105 HE3 -0.0029 0.0005 0.0029 1511 TYR 106 N 0.0019 -0.0076 -0.0026 1512 TYR 106 CA 0.0064 -0.0099 -0.0013 1513 TYR 106 C 0.0044 -0.0096 0.0013 1514 TYR 106 O 0.0012 -0.0089 0.0054 1515 TYR 106 CB 0.0096 -0.0122 0.0028 1516 TYR 106 CG 0.0117 -0.0127 0.0008 1517 TYR 106 CD1 0.0158 -0.0137 -0.0034 1518 TYR 106 CD2 0.0097 -0.0123 0.0032 1519 TYR 106 CE1 0.0178 -0.0142 -0.0053 1520 TYR 106 CE2 0.0117 -0.0128 0.0013 1521 TYR 106 CZ 0.0158 -0.0137 -0.0029 1522 TYR 106 OH 0.0177 -0.0142 -0.0047 1523 TYR 106 H 0.0012 -0.0078 -0.0002 1524 TYR 106 HA 0.0087 -0.0102 -0.0048 1525 TYR 106 HB2 0.0074 -0.0119 0.0063 1526 TYR 106 HB3 0.0127 -0.0137 0.0036 1527 TYR 106 HD1 0.0173 -0.0140 -0.0049 1528 TYR 106 HD2 0.0070 -0.0117 0.0060 1529 TYR 106 HE1 0.0205 -0.0148 -0.0081 1530 TYR 106 HE2 0.0103 -0.0125 0.0029 1531 TYR 106 HH 0.0180 -0.0136 -0.0082 1532 SER 107 N 0.0042 -0.0069 0.0084 1533 SER 107 CA 0.0027 -0.0051 0.0079 1534 SER 107 C 0.0003 -0.0024 0.0072 1535 SER 107 O -0.0020 -0.0029 0.0077 1536 SER 107 CB 0.0009 -0.0073 0.0090 1537 SER 107 OG -0.0018 -0.0085 0.0099 1538 SER 107 H 0.0027 -0.0078 0.0090 1539 SER 107 HA 0.0045 -0.0041 0.0072 1540 SER 107 HB2 0.0001 -0.0061 0.0086 1541 SER 107 HB3 0.0025 -0.0090 0.0094 1542 SER 107 HG -0.0033 -0.0071 0.0096 1543 SER 107 N 0.0041 -0.0069 0.0084 1544 SER 107 CA 0.0025 -0.0052 0.0079 1545 SER 107 C 0.0005 -0.0023 0.0071 1546 SER 107 O -0.0013 -0.0025 0.0074 1547 SER 107 CB 0.0001 -0.0074 0.0092 1548 SER 107 OG -0.0014 -0.0059 0.0088 1549 SER 107 H 0.0028 -0.0079 0.0090 1550 SER 107 HA 0.0041 -0.0045 0.0074 1551 SER 107 HB2 0.0014 -0.0092 0.0097 1552 SER 107 HB3 -0.0016 -0.0079 0.0096 1553 SER 107 HG -0.0027 -0.0044 0.0084 1554 TYR 108 N -0.0004 -0.0032 0.0046 1555 TYR 108 CA -0.0022 -0.0022 0.0026 1556 TYR 108 C -0.0029 -0.0019 0.0020 1557 TYR 108 O -0.0013 -0.0018 0.0020 1558 TYR 108 CB -0.0009 -0.0011 0.0006 1559 TYR 108 CG -0.0006 -0.0011 0.0005 1560 TYR 108 CD1 0.0009 -0.0018 0.0020 1561 TYR 108 CD2 -0.0020 -0.0003 -0.0010 1562 TYR 108 CE1 0.0011 -0.0017 0.0020 1563 TYR 108 CE2 -0.0018 -0.0003 -0.0011 1564 TYR 108 CZ -0.0003 -0.0010 0.0004 1565 TYR 108 OH -0.0001 -0.0009 0.0003 1566 TYR 108 H 0.0011 -0.0029 0.0042 1567 TYR 108 HA -0.0036 -0.0025 0.0030 1568 TYR 108 HB2 0.0008 -0.0010 0.0005 1569 TYR 108 HB3 -0.0018 -0.0005 -0.0007 1570 TYR 108 HD1 0.0019 -0.0023 0.0031 1571 TYR 108 HD2 -0.0030 0.0002 -0.0021 1572 TYR 108 HE1 0.0021 -0.0022 0.0030 1573 TYR 108 HE2 -0.0027 0.0002 -0.0022 1574 TYR 108 HH -0.0001 -0.0003 -0.0010 1575 ARG 109 N -0.0065 -0.0070 0.0031 1576 ARG 109 CA -0.0060 -0.0067 -0.0012 1577 ARG 109 C -0.0048 -0.0051 -0.0031 1578 ARG 109 O -0.0056 -0.0061 -0.0025 1579 ARG 109 CB -0.0084 -0.0101 -0.0031 1580 ARG 109 CG -0.0082 -0.0102 -0.0075 1581 ARG 109 CD -0.0106 -0.0137 -0.0090 1582 ARG 109 NE -0.0104 -0.0138 -0.0133 1583 ARG 109 CZ -0.0118 -0.0160 -0.0160 1584 ARG 109 NH1 -0.0135 -0.0184 -0.0149 1585 ARG 109 NH2 -0.0114 -0.0159 -0.0198 1586 ARG 109 H -0.0080 -0.0090 0.0039 1587 ARG 109 HA -0.0050 -0.0053 -0.0017 1588 ARG 109 HB2 -0.0091 -0.0110 -0.0018 1589 ARG 109 HB3 -0.0094 -0.0115 -0.0026 1590 ARG 109 HG2 -0.0075 -0.0094 -0.0089 1591 ARG 109 HG3 -0.0071 -0.0088 -0.0081 1592 ARG 109 HD2 -0.0112 -0.0146 -0.0075 1593 ARG 109 HD3 -0.0116 -0.0151 -0.0086 1594 ARG 109 HE -0.0092 -0.0123 -0.0142 1595 ARG 109 HH11 -0.0138 -0.0185 -0.0124 1596 ARG 109 HH12 -0.0144 -0.0198 -0.0167 1597 ARG 109 HH21 -0.0103 -0.0144 -0.0206 1598 ARG 109 HH22 -0.0124 -0.0173 -0.0216 1599 THR 110 N -0.0006 -0.0039 -0.0020 1600 THR 110 CA 0.0005 -0.0017 -0.0030 1601 THR 110 C 0.0005 -0.0008 -0.0066 1602 THR 110 O 0.0003 -0.0009 -0.0079 1603 THR 110 CB 0.0022 0.0009 -0.0011 1604 THR 110 OG1 0.0022 0.0001 0.0023 1605 THR 110 CG2 0.0033 0.0032 -0.0018 1606 THR 110 H -0.0005 -0.0036 -0.0027 1607 THR 110 HA 0.0001 -0.0025 -0.0027 1608 THR 110 HB 0.0026 0.0018 -0.0017 1609 THR 110 HG1 0.0031 0.0015 0.0034 1610 THR 110 HG21 0.0043 0.0047 -0.0003 1611 THR 110 HG22 0.0035 0.0040 -0.0040 1612 THR 110 HG23 0.0028 0.0023 -0.0016 1613 THR 110 N -0.0006 -0.0039 -0.0020 1614 THR 110 CA 0.0005 -0.0017 -0.0030 1615 THR 110 C 0.0004 -0.0009 -0.0066 1616 THR 110 O 0.0002 -0.0009 -0.0079 1617 THR 110 CB 0.0022 0.0010 -0.0011 1618 THR 110 OG1 0.0027 0.0021 -0.0018 1619 THR 110 CG2 0.0023 0.0003 0.0025 1620 THR 110 H -0.0005 -0.0036 -0.0027 1621 THR 110 HA 0.0001 -0.0025 -0.0026 1622 THR 110 HB 0.0029 0.0024 -0.0017 1623 THR 110 HG1 0.0036 0.0034 -0.0006 1624 THR 110 HG21 0.0029 0.0011 0.0036 1625 THR 110 HG22 0.0028 0.0010 0.0033 1626 THR 110 HG23 0.0012 -0.0018 0.0030 1627 LYS 111 N -0.0022 -0.0017 -0.0032 1628 LYS 111 CA -0.0014 0.0005 -0.0094 1629 LYS 111 C -0.0015 0.0047 -0.0075 1630 LYS 111 O -0.0021 0.0044 -0.0017 1631 LYS 111 CB -0.0012 -0.0054 -0.0140 1632 LYS 111 CG -0.0017 -0.0097 -0.0111 1633 LYS 111 CD -0.0014 -0.0154 -0.0160 1634 LYS 111 CE -0.0019 -0.0200 -0.0131 1635 LYS 111 NZ -0.0016 -0.0253 -0.0179 1636 LYS 111 H -0.0026 -0.0028 0.0000 1637 LYS 111 HA -0.0011 0.0033 -0.0120 1638 LYS 111 HB2 -0.0007 -0.0036 -0.0183 1639 LYS 111 HB3 -0.0013 -0.0084 -0.0147 1640 LYS 111 HG2 -0.0022 -0.0118 -0.0069 1641 LYS 111 HG3 -0.0017 -0.0069 -0.0104 1642 LYS 111 HD2 -0.0009 -0.0134 -0.0202 1643 LYS 111 HD3 -0.0014 -0.0182 -0.0170 1644 LYS 111 HE2 -0.0025 -0.0222 -0.0091 1645 LYS 111 HE3 -0.0019 -0.0171 -0.0119 1646 LYS 111 HZ1 -0.0015 -0.0270 -0.0203 1647 LYS 111 HZ2 -0.0020 -0.0287 -0.0157 1648 LYS 111 HZ3 -0.0013 -0.0235 -0.0208 1649 VAL 112 N -0.0002 0.0029 0.0035 1650 VAL 112 CA -0.0001 0.0064 0.0042 1651 VAL 112 C -0.0010 0.0058 0.0011 1652 VAL 112 O -0.0020 0.0055 -0.0025 1653 VAL 112 CB -0.0004 0.0108 0.0036 1654 VAL 112 CG1 -0.0002 0.0143 0.0043 1655 VAL 112 CG2 0.0004 0.0113 0.0064 1656 VAL 112 H -0.0009 0.0030 0.0012 1657 VAL 112 HA 0.0007 0.0063 0.0069 1658 VAL 112 HB -0.0012 0.0110 0.0008 1659 VAL 112 HG11 -0.0004 0.0170 0.0039 1660 VAL 112 HG12 -0.0008 0.0139 0.0024 1661 VAL 112 HG13 0.0006 0.0141 0.0071 1662 VAL 112 HG21 0.0003 0.0141 0.0061 1663 VAL 112 HG22 0.0013 0.0108 0.0092 1664 VAL 112 HG23 0.0003 0.0092 0.0056 1665 GLU 113 N -0.0126 0.0058 0.0047 1666 GLU 113 CA -0.0134 0.0036 -0.0005 1667 GLU 113 C -0.0132 0.0093 0.0018 1668 GLU 113 O -0.0120 0.0095 0.0089 1669 GLU 113 CB -0.0130 -0.0054 0.0006 1670 GLU 113 CG -0.0137 -0.0072 -0.0040 1671 GLU 113 CD -0.0132 -0.0159 -0.0027 1672 GLU 113 OE1 -0.0132 -0.0216 -0.0037 1673 GLU 113 OE2 -0.0128 -0.0169 -0.0006 1674 GLU 113 H -0.0117 0.0061 0.0098 1675 GLU 113 HA -0.0144 0.0044 -0.0062 1676 GLU 113 HB2 -0.0132 -0.0090 -0.0016 1677 GLU 113 HB3 -0.0120 -0.0065 0.0063 1678 GLU 113 HG2 -0.0135 -0.0034 -0.0021 1679 GLU 113 HG3 -0.0147 -0.0066 -0.0098 1680 ASN 114 N -0.0184 0.0092 -0.0016 1681 ASN 114 CA -0.0181 0.0224 0.0015 1682 ASN 114 C -0.0196 0.0409 0.0256 1683 ASN 114 O -0.0210 0.0416 0.0410 1684 ASN 114 CB -0.0190 0.0023 0.0017 1685 ASN 114 CG -0.0175 -0.0151 -0.0230 1686 ASN 114 OD1 -0.0151 -0.0065 -0.0445 1687 ASN 114 ND2 -0.0187 -0.0394 -0.0202 1688 ASN 114 H -0.0169 0.0106 -0.0172 1689 ASN 114 HA -0.0163 0.0338 -0.0138 1690 ASN 114 HB2 -0.0209 -0.0092 0.0171 1691 ASN 114 HB3 -0.0187 0.0118 0.0026 1692 ASN 114 HD21 -0.0179 -0.0501 -0.0336 1693 ASN 114 HD22 -0.0203 -0.0445 -0.0050 1694 ASN 115 N -0.0018 0.0121 0.0199 1695 ASN 115 CA -0.0004 0.0098 0.0180 1696 ASN 115 C -0.0044 0.0117 0.0146 1697 ASN 115 O -0.0036 0.0097 0.0123 1698 ASN 115 CB 0.0028 0.0050 0.0145 1699 ASN 115 CG 0.0059 0.0022 0.0147 1700 ASN 115 OD1 0.0074 0.0030 0.0189 1701 ASN 115 ND2 0.0067 -0.0010 0.0100 1702 ASN 115 H -0.0014 0.0135 0.0234 1703 ASN 115 HA 0.0012 0.0100 0.0212 1704 ASN 115 HB2 0.0048 0.0039 0.0160 1705 ASN 115 HB3 0.0010 0.0046 0.0107 1706 ASN 115 HD21 0.0055 -0.0014 0.0071 1707 ASN 115 HD22 0.0084 -0.0027 0.0099 1708 ASN 115 N -0.0018 0.0121 0.0199 1709 ASN 115 CA -0.0004 0.0098 0.0180 1710 ASN 115 C -0.0044 0.0117 0.0147 1711 ASN 115 O -0.0036 0.0098 0.0125 1712 ASN 115 CB 0.0029 0.0049 0.0147 1713 ASN 115 CG 0.0075 0.0025 0.0181 1714 ASN 115 OD1 0.0091 0.0037 0.0231 1715 ASN 115 ND2 0.0097 -0.0009 0.0155 1716 ASN 115 H -0.0013 0.0135 0.0234 1717 ASN 115 HA 0.0012 0.0101 0.0213 1718 ASN 115 HB2 0.0015 0.0046 0.0117 1719 ASN 115 HB3 0.0034 0.0037 0.0132 1720 ASN 115 HD21 0.0085 -0.0016 0.0120 1721 ASN 115 HD22 0.0123 -0.0024 0.0172 1722 THR 116 N -0.0067 0.0102 0.0110 1723 THR 116 CA -0.0059 0.0100 0.0109 1724 THR 116 C -0.0057 0.0094 0.0104 1725 THR 116 O -0.0060 0.0092 0.0102 1726 THR 116 CB -0.0054 0.0104 0.0113 1727 THR 116 OG1 -0.0055 0.0110 0.0118 1728 THR 116 CG2 -0.0046 0.0102 0.0112 1729 THR 116 H -0.0068 0.0102 0.0110 1730 THR 116 HA -0.0058 0.0101 0.0110 1731 THR 116 HB -0.0055 0.0104 0.0113 1732 THR 116 HG1 -0.0052 0.0113 0.0120 1733 THR 116 HG21 -0.0042 0.0105 0.0115 1734 THR 116 HG22 -0.0044 0.0098 0.0109 1735 THR 116 HG23 -0.0045 0.0101 0.0112 1736 VAL 117 N 0.0019 0.0079 0.0045 1737 VAL 117 CA 0.0022 0.0068 0.0042 1738 VAL 117 C 0.0028 0.0058 0.0046 1739 VAL 117 O 0.0034 0.0060 0.0055 1740 VAL 117 CB 0.0025 0.0069 0.0047 1741 VAL 117 CG1 0.0027 0.0058 0.0045 1742 VAL 117 CG2 0.0019 0.0079 0.0044 1743 VAL 117 H 0.0022 0.0083 0.0050 1744 VAL 117 HA 0.0017 0.0065 0.0036 1745 VAL 117 HB 0.0030 0.0071 0.0054 1746 VAL 117 HG11 0.0029 0.0059 0.0048 1747 VAL 117 HG12 0.0032 0.0052 0.0049 1748 VAL 117 HG13 0.0023 0.0055 0.0038 1749 VAL 117 HG21 0.0021 0.0079 0.0047 1750 VAL 117 HG22 0.0014 0.0077 0.0037 1751 VAL 117 HG23 0.0018 0.0086 0.0046 1752 PHE 118 N -0.0056 -0.0028 0.0024 1753 PHE 118 CA -0.0039 -0.0047 0.0029 1754 PHE 118 C -0.0035 -0.0048 0.0013 1755 PHE 118 O -0.0037 -0.0041 -0.0008 1756 PHE 118 CB -0.0025 -0.0060 0.0021 1757 PHE 118 CG -0.0025 -0.0064 0.0038 1758 PHE 118 CD1 -0.0017 -0.0077 0.0058 1759 PHE 118 CD2 -0.0034 -0.0053 0.0033 1760 PHE 118 CE1 -0.0018 -0.0080 0.0073 1761 PHE 118 CE2 -0.0035 -0.0056 0.0049 1762 PHE 118 CZ -0.0027 -0.0069 0.0069 1763 PHE 118 H -0.0056 -0.0025 0.0010 1764 PHE 118 HA -0.0039 -0.0050 0.0046 1765 PHE 118 HB2 -0.0026 -0.0056 0.0005 1766 PHE 118 HB3 -0.0014 -0.0072 0.0020 1767 PHE 118 HD1 -0.0011 -0.0084 0.0061 1768 PHE 118 HD2 -0.0040 -0.0044 0.0020 1769 PHE 118 HE1 -0.0012 -0.0089 0.0086 1770 PHE 118 HE2 -0.0041 -0.0049 0.0046 1771 PHE 118 HZ -0.0027 -0.0071 0.0079 1772 VAL 119 N -0.0020 -0.0043 -0.0047 1773 VAL 119 CA -0.0027 -0.0049 -0.0025 1774 VAL 119 C -0.0049 -0.0063 -0.0026 1775 VAL 119 O -0.0058 -0.0068 -0.0035 1776 VAL 119 CB -0.0019 -0.0044 -0.0004 1777 VAL 119 CG1 0.0003 -0.0030 -0.0002 1778 VAL 119 CG2 -0.0023 -0.0047 -0.0005 1779 VAL 119 H -0.0023 -0.0044 -0.0050 1780 VAL 119 HA -0.0024 -0.0047 -0.0023 1781 VAL 119 HB -0.0025 -0.0049 0.0010 1782 VAL 119 HG11 0.0008 -0.0028 0.0011 1783 VAL 119 HG12 0.0006 -0.0029 0.0001 1784 VAL 119 HG13 0.0008 -0.0026 -0.0016 1785 VAL 119 HG21 -0.0017 -0.0044 0.0007 1786 VAL 119 HG22 -0.0019 -0.0044 -0.0020 1787 VAL 119 HG23 -0.0037 -0.0056 -0.0004 1788 ASP 120 N -0.0090 -0.0085 -0.0056 1789 ASP 120 CA -0.0093 -0.0091 -0.0056 1790 ASP 120 C -0.0097 -0.0090 -0.0050 1791 ASP 120 O -0.0096 -0.0087 -0.0048 1792 ASP 120 CB -0.0091 -0.0091 -0.0060 1793 ASP 120 CG -0.0094 -0.0096 -0.0060 1794 ASP 120 OD1 -0.0097 -0.0100 -0.0057 1795 ASP 120 OD2 -0.0092 -0.0096 -0.0063 1796 ASP 120 H -0.0088 -0.0082 -0.0056 1797 ASP 120 HA -0.0094 -0.0094 -0.0057 1798 ASP 120 HB2 -0.0088 -0.0091 -0.0064 1799 ASP 120 HB3 -0.0089 -0.0087 -0.0059 1800 TYR 121 N -0.0094 -0.0039 -0.0064 1801 TYR 121 CA -0.0108 -0.0020 -0.0087 1802 TYR 121 C -0.0101 0.0014 -0.0085 1803 TYR 121 O -0.0112 0.0031 -0.0103 1804 TYR 121 CB -0.0125 -0.0030 -0.0108 1805 TYR 121 CG -0.0122 -0.0022 -0.0105 1806 TYR 121 CD1 -0.0115 -0.0042 -0.0092 1807 TYR 121 CD2 -0.0126 0.0005 -0.0117 1808 TYR 121 CE1 -0.0112 -0.0034 -0.0090 1809 TYR 121 CE2 -0.0123 0.0013 -0.0114 1810 TYR 121 CZ -0.0116 -0.0007 -0.0101 1811 TYR 121 OH -0.0113 0.0001 -0.0099 1812 TYR 121 H -0.0095 -0.0048 -0.0063 1813 TYR 121 HA -0.0112 -0.0025 -0.0091 1814 TYR 121 HB2 -0.0135 -0.0020 -0.0124 1815 TYR 121 HB3 -0.0129 -0.0052 -0.0108 1816 TYR 121 HD1 -0.0113 -0.0060 -0.0084 1817 TYR 121 HD2 -0.0130 0.0018 -0.0126 1818 TYR 121 HE1 -0.0108 -0.0048 -0.0081 1819 TYR 121 HE2 -0.0125 0.0031 -0.0122 1820 TYR 121 HH -0.0116 0.0019 -0.0106 1821 ALA 122 N -0.0128 0.0017 -0.0199 1822 ALA 122 CA -0.0111 0.0087 -0.0191 1823 ALA 122 C -0.0095 0.0101 -0.0163 1824 ALA 122 O -0.0079 0.0158 -0.0152 1825 ALA 122 CB -0.0088 0.0114 -0.0154 1826 ALA 122 H -0.0118 -0.0005 -0.0168 1827 ALA 122 HA -0.0125 0.0112 -0.0231 1828 ALA 122 HB1 -0.0080 0.0161 -0.0155 1829 ALA 122 HB2 -0.0099 0.0102 -0.0172 1830 ALA 122 HB3 -0.0073 0.0095 -0.0113 1831 ALA 123 N -0.0149 -0.0060 -0.0098 1832 ALA 123 CA -0.0142 -0.0061 -0.0077 1833 ALA 123 C -0.0117 -0.0061 -0.0060 1834 ALA 123 O -0.0094 -0.0060 -0.0061 1835 ALA 123 CB -0.0135 -0.0060 -0.0090 1836 ALA 123 H -0.0135 -0.0059 -0.0107 1837 ALA 123 HA -0.0158 -0.0063 -0.0064 1838 ALA 123 HB1 -0.0140 -0.0061 -0.0077 1839 ALA 123 HB2 -0.0145 -0.0059 -0.0107 1840 ALA 123 HB3 -0.0115 -0.0059 -0.0093 1841 ILE 124 N -0.0073 -0.0006 0.0012 1842 ILE 124 CA -0.0040 -0.0020 0.0029 1843 ILE 124 C -0.0050 -0.0039 0.0065 1844 ILE 124 O -0.0078 -0.0042 0.0077 1845 ILE 124 CB -0.0022 -0.0017 0.0020 1846 ILE 124 CG1 -0.0011 0.0002 -0.0017 1847 ILE 124 CG2 0.0011 -0.0032 0.0039 1848 ILE 124 CD1 -0.0007 0.0010 -0.0032 1849 ILE 124 H -0.0086 -0.0004 0.0011 1850 ILE 124 HA -0.0023 -0.0019 0.0024 1851 ILE 124 HB -0.0039 -0.0017 0.0024 1852 ILE 124 HG12 0.0012 0.0001 -0.0020 1853 ILE 124 HG13 -0.0030 0.0010 -0.0028 1854 ILE 124 HG21 0.0026 -0.0028 0.0029 1855 ILE 124 HG22 0.0003 -0.0043 0.0061 1856 ILE 124 HG23 0.0026 -0.0034 0.0040 1857 ILE 124 HD11 -0.0000 0.0021 -0.0054 1858 ILE 124 HD12 -0.0030 0.0011 -0.0028 1859 ILE 124 HD13 0.0013 0.0001 -0.0021 1860 THR 125 N 0.0051 0.0094 0.0126 1861 THR 125 CA -0.0014 -0.0097 0.0076 1862 THR 125 C 0.0092 -0.0291 -0.0107 1863 THR 125 O 0.0116 -0.0361 -0.0162 1864 THR 125 CB -0.0254 -0.0208 0.0204 1865 THR 125 OG1 -0.0359 -0.0041 0.0372 1866 THR 125 CG2 -0.0323 -0.0432 0.0140 1867 THR 125 OXT 0.0155 -0.0384 -0.0204 1868 THR 125 H 0.0007 0.0052 0.0138 1869 THR 125 HA 0.0026 -0.0037 0.0077 1870 THR 125 HB -0.0293 -0.0249 0.0212 1871 THR 125 HG1 -0.0289 0.0098 0.0390 1872 THR 125 HG21 -0.0472 -0.0465 0.0238 1873 THR 125 HG22 -0.0302 -0.0565 0.0054 1874 THR 125 HG23 -0.0241 -0.0413 0.0086