1 ALA 8 N 0.0049 0.0072 0.0114 2 ALA 8 CA 0.0044 0.0084 0.0108 3 ALA 8 C 0.0040 0.0074 0.0088 4 ALA 8 O 0.0037 0.0081 0.0085 5 ALA 8 CB 0.0039 0.0109 0.0105 6 ALA 8 HA 0.0048 0.0084 0.0119 7 ALA 8 HB1 0.0035 0.0117 0.0101 8 ALA 8 HB2 0.0042 0.0115 0.0118 9 ALA 8 HB3 0.0035 0.0109 0.0094 10 ASP 9 N 0.0044 0.0056 0.0098 11 ASP 9 CA 0.0038 0.0037 0.0075 12 ASP 9 C 0.0046 0.0012 0.0071 13 ASP 9 O 0.0038 0.0011 0.0059 14 ASP 9 CB 0.0017 0.0049 0.0053 15 ASP 9 CG 0.0012 0.0031 0.0032 16 ASP 9 OD1 0.0022 0.0016 0.0038 17 ASP 9 OD2 -0.0003 0.0031 0.0010 18 ASP 9 H 0.0047 0.0055 0.0101 19 ASP 9 HA 0.0043 0.0031 0.0079 20 ASP 9 HB2 0.0012 0.0066 0.0057 21 ASP 9 HB3 0.0013 0.0050 0.0047 22 PHE 10 N 0.0076 -0.0027 0.0065 23 PHE 10 CA 0.0075 -0.0040 0.0064 24 PHE 10 C 0.0066 -0.0052 0.0055 25 PHE 10 O 0.0066 -0.0058 0.0055 26 PHE 10 CB 0.0087 -0.0048 0.0074 27 PHE 10 CG 0.0095 -0.0039 0.0082 28 PHE 10 CD1 0.0093 -0.0039 0.0080 29 PHE 10 CD2 0.0105 -0.0031 0.0091 30 PHE 10 CE1 0.0101 -0.0031 0.0087 31 PHE 10 CE2 0.0113 -0.0023 0.0098 32 PHE 10 CZ 0.0111 -0.0023 0.0096 33 PHE 10 H 0.0082 -0.0029 0.0070 34 PHE 10 HA 0.0072 -0.0035 0.0061 35 PHE 10 HB2 0.0091 -0.0048 0.0078 36 PHE 10 HB3 0.0086 -0.0058 0.0073 37 PHE 10 HD1 0.0087 -0.0044 0.0074 38 PHE 10 HD2 0.0107 -0.0031 0.0093 39 PHE 10 HE1 0.0099 -0.0031 0.0086 40 PHE 10 HE2 0.0120 -0.0017 0.0104 41 PHE 10 HZ 0.0116 -0.0018 0.0101 42 ILE 11 N 0.0066 -0.0059 0.0042 43 ILE 11 CA 0.0060 -0.0073 0.0023 44 ILE 11 C 0.0074 -0.0092 0.0024 45 ILE 11 O 0.0080 -0.0091 0.0033 46 ILE 11 CB 0.0045 -0.0064 0.0012 47 ILE 11 CG1 0.0032 -0.0045 0.0011 48 ILE 11 CG2 0.0040 -0.0079 -0.0008 49 ILE 11 CD1 0.0026 -0.0048 0.0001 50 ILE 11 H 0.0069 -0.0057 0.0048 51 ILE 11 HA 0.0058 -0.0076 0.0017 52 ILE 11 HB 0.0048 -0.0060 0.0018 53 ILE 11 HG12 0.0035 -0.0036 0.0024 54 ILE 11 HG13 0.0023 -0.0039 0.0004 55 ILE 11 HG21 0.0029 -0.0073 -0.0016 56 ILE 11 HG22 0.0048 -0.0089 -0.0007 57 ILE 11 HG23 0.0041 -0.0086 -0.0012 58 ILE 11 HD11 0.0017 -0.0035 0.0001 59 ILE 11 HD12 0.0022 -0.0057 -0.0012 60 ILE 11 HD13 0.0034 -0.0053 0.0008 61 GLY 12 N 0.0057 -0.0101 0.0060 62 GLY 12 CA 0.0060 -0.0111 0.0060 63 GLY 12 C 0.0049 -0.0112 0.0054 64 GLY 12 O 0.0039 -0.0113 0.0048 65 GLY 12 H 0.0057 -0.0105 0.0059 66 GLY 12 HA2 0.0066 -0.0108 0.0065 67 GLY 12 HA3 0.0062 -0.0120 0.0061 68 ILE 13 N 0.0055 -0.0091 0.0067 69 ILE 13 CA 0.0043 -0.0088 0.0065 70 ILE 13 C 0.0038 -0.0092 0.0067 71 ILE 13 O 0.0029 -0.0090 0.0065 72 ILE 13 CB 0.0042 -0.0077 0.0060 73 ILE 13 CG1 0.0048 -0.0071 0.0058 74 ILE 13 CG2 0.0045 -0.0073 0.0059 75 ILE 13 CD1 0.0045 -0.0060 0.0053 76 ILE 13 H 0.0059 -0.0089 0.0067 77 ILE 13 HA 0.0039 -0.0091 0.0066 78 ILE 13 HB 0.0034 -0.0075 0.0059 79 ILE 13 HG12 0.0056 -0.0071 0.0059 80 ILE 13 HG13 0.0047 -0.0074 0.0060 81 ILE 13 HG21 0.0043 -0.0066 0.0056 82 ILE 13 HG22 0.0040 -0.0077 0.0060 83 ILE 13 HG23 0.0052 -0.0074 0.0060 84 ILE 13 HD11 0.0049 -0.0057 0.0052 85 ILE 13 HD12 0.0037 -0.0060 0.0053 86 ILE 13 HD13 0.0047 -0.0057 0.0052 87 GLY 14 N 0.0028 -0.0107 0.0106 88 GLY 14 CA 0.0014 -0.0108 0.0111 89 GLY 14 C 0.0020 -0.0107 0.0108 90 GLY 14 O 0.0036 -0.0105 0.0101 91 GLY 14 H 0.0039 -0.0110 0.0107 92 GLY 14 HA2 0.0011 -0.0116 0.0122 93 GLY 14 HA3 0.0003 -0.0102 0.0106 94 LYS 15 N 0.0005 -0.0118 0.0129 95 LYS 15 CA 0.0017 -0.0115 0.0123 96 LYS 15 C 0.0011 -0.0092 0.0107 97 LYS 15 O -0.0009 -0.0080 0.0105 98 LYS 15 CB 0.0007 -0.0128 0.0136 99 LYS 15 CG 0.0014 -0.0152 0.0151 100 LYS 15 CD 0.0002 -0.0164 0.0164 101 LYS 15 CE 0.0006 -0.0156 0.0157 102 LYS 15 NZ -0.0006 -0.0167 0.0169 103 LYS 15 H -0.0010 -0.0122 0.0136 104 LYS 15 HA 0.0035 -0.0120 0.0120 105 LYS 15 HB2 -0.0012 -0.0125 0.0139 106 LYS 15 HB3 0.0013 -0.0124 0.0131 107 LYS 15 HG2 0.0033 -0.0156 0.0148 108 LYS 15 HG3 0.0009 -0.0157 0.0156 109 LYS 15 HD2 0.0010 -0.0179 0.0173 110 LYS 15 HD3 -0.0016 -0.0162 0.0168 111 LYS 15 HE2 -0.0001 -0.0141 0.0148 112 LYS 15 HE3 0.0024 -0.0158 0.0152 113 LYS 15 HZ1 -0.0023 -0.0166 0.0174 114 LYS 15 HZ2 -0.0005 -0.0162 0.0164 115 LYS 15 HZ3 0.0001 -0.0181 0.0177 116 LEU 16 N 0.0024 -0.0081 0.0104 117 LEU 16 CA 0.0020 -0.0060 0.0088 118 LEU 16 C -0.0002 -0.0049 0.0093 119 LEU 16 O -0.0013 -0.0033 0.0087 120 LEU 16 CB 0.0039 -0.0057 0.0074 121 LEU 16 CG 0.0037 -0.0035 0.0058 122 LEU 16 CD1 0.0041 -0.0025 0.0047 123 LEU 16 CD2 0.0053 -0.0035 0.0047 124 LEU 16 H 0.0036 -0.0089 0.0103 125 LEU 16 HA 0.0021 -0.0055 0.0084 126 LEU 16 HB2 0.0052 -0.0063 0.0071 127 LEU 16 HB3 0.0039 -0.0063 0.0079 128 LEU 16 HG 0.0022 -0.0028 0.0061 129 LEU 16 HD11 0.0039 -0.0012 0.0036 130 LEU 16 HD12 0.0031 -0.0026 0.0054 131 LEU 16 HD13 0.0056 -0.0032 0.0043 132 LEU 16 HD21 0.0051 -0.0021 0.0037 133 LEU 16 HD22 0.0068 -0.0041 0.0043 134 LEU 16 HD23 0.0050 -0.0042 0.0054 135 ASP 17 N -0.0007 -0.0058 0.0105 136 ASP 17 CA -0.0031 -0.0046 0.0110 137 ASP 17 C -0.0055 -0.0047 0.0125 138 ASP 17 O -0.0076 -0.0036 0.0130 139 ASP 17 CB -0.0030 -0.0055 0.0117 140 ASP 17 CG -0.0018 -0.0082 0.0129 141 ASP 17 OD1 0.0004 -0.0091 0.0123 142 ASP 17 OD2 -0.0030 -0.0093 0.0145 143 ASP 17 H 0.0001 -0.0072 0.0110 144 ASP 17 HA -0.0032 -0.0029 0.0098 145 ASP 17 HB2 -0.0047 -0.0052 0.0124 146 ASP 17 HB3 -0.0021 -0.0047 0.0105 147 ASP 18 N -0.0039 -0.0055 0.0123 148 ASP 18 CA -0.0059 -0.0052 0.0134 149 ASP 18 C -0.0067 -0.0029 0.0126 150 ASP 18 O -0.0086 -0.0024 0.0134 151 ASP 18 CB -0.0057 -0.0070 0.0143 152 ASP 18 CG -0.0052 -0.0094 0.0155 153 ASP 18 OD1 -0.0056 -0.0098 0.0160 154 ASP 18 OD2 -0.0043 -0.0110 0.0159 155 ASP 18 H -0.0027 -0.0065 0.0122 156 ASP 18 HA -0.0070 -0.0054 0.0142 157 ASP 18 HB2 -0.0044 -0.0069 0.0135 158 ASP 18 HB3 -0.0070 -0.0067 0.0150 159 PHE 19 N -0.0052 -0.0008 0.0102 160 PHE 19 CA -0.0055 0.0004 0.0088 161 PHE 19 C -0.0067 0.0021 0.0076 162 PHE 19 O -0.0060 0.0023 0.0068 163 PHE 19 CB -0.0034 0.0000 0.0074 164 PHE 19 CG -0.0023 -0.0016 0.0084 165 PHE 19 CD1 -0.0029 -0.0015 0.0089 166 PHE 19 CD2 -0.0009 -0.0031 0.0091 167 PHE 19 CE1 -0.0019 -0.0030 0.0100 168 PHE 19 CE2 0.0001 -0.0045 0.0101 169 PHE 19 CZ -0.0004 -0.0045 0.0106 170 PHE 19 H -0.0044 -0.0010 0.0097 171 PHE 19 HA -0.0062 0.0005 0.0095 172 PHE 19 HB2 -0.0026 -0.0001 0.0067 173 PHE 19 HB3 -0.0037 0.0009 0.0063 174 PHE 19 HD1 -0.0039 -0.0005 0.0085 175 PHE 19 HD2 -0.0005 -0.0031 0.0088 176 PHE 19 HE1 -0.0023 -0.0030 0.0103 177 PHE 19 HE2 0.0012 -0.0055 0.0104 178 PHE 19 HZ 0.0002 -0.0055 0.0113 179 PRO 20 N -0.0088 0.0056 0.0095 180 PRO 20 CA -0.0099 0.0077 0.0082 181 PRO 20 C -0.0090 0.0087 0.0057 182 PRO 20 O -0.0083 0.0084 0.0051 183 PRO 20 CB -0.0122 0.0090 0.0096 184 PRO 20 CG -0.0124 0.0073 0.0120 185 PRO 20 CD -0.0103 0.0055 0.0115 186 PRO 20 HA -0.0099 0.0077 0.0083 187 PRO 20 HB2 -0.0125 0.0099 0.0088 188 PRO 20 HB3 -0.0132 0.0099 0.0097 189 PRO 20 HG2 -0.0135 0.0079 0.0127 190 PRO 20 HG3 -0.0128 0.0069 0.0130 191 PRO 20 HD2 -0.0101 0.0057 0.0110 192 PRO 20 HD3 -0.0100 0.0041 0.0129 193 VAL 21 N -0.0098 0.0100 0.0049 194 VAL 21 CA -0.0088 0.0111 0.0024 195 VAL 21 C -0.0101 0.0127 0.0019 196 VAL 21 O -0.0122 0.0140 0.0026 197 VAL 21 CB -0.0088 0.0122 0.0010 198 VAL 21 CG1 -0.0083 0.0138 -0.0015 199 VAL 21 CG2 -0.0071 0.0105 0.0012 200 VAL 21 H -0.0103 0.0101 0.0053 201 VAL 21 HA -0.0073 0.0101 0.0018 202 VAL 21 HB -0.0102 0.0130 0.0017 203 VAL 21 HG11 -0.0078 0.0141 -0.0025 204 VAL 21 HG12 -0.0096 0.0151 -0.0016 205 VAL 21 HG13 -0.0071 0.0132 -0.0021 206 VAL 21 HG21 -0.0071 0.0112 0.0003 207 VAL 21 HG22 -0.0056 0.0097 0.0005 208 VAL 21 HG23 -0.0075 0.0096 0.0028 209 GLY 22 N -0.0093 0.0126 0.0006 210 GLY 22 CA -0.0103 0.0141 -0.0005 211 GLY 22 C -0.0114 0.0138 0.0015 212 GLY 22 O -0.0124 0.0150 0.0007 213 GLY 22 H -0.0077 0.0116 0.0002 214 GLY 22 HA2 -0.0089 0.0139 -0.0020 215 GLY 22 HA3 -0.0116 0.0155 -0.0012 216 ILE 23 N -0.0100 0.0125 0.0031 217 ILE 23 CA -0.0109 0.0122 0.0054 218 ILE 23 C -0.0094 0.0098 0.0064 219 ILE 23 O -0.0086 0.0083 0.0073 220 ILE 23 CB -0.0125 0.0128 0.0075 221 ILE 23 CG1 -0.0140 0.0152 0.0064 222 ILE 23 CG2 -0.0134 0.0124 0.0100 223 ILE 23 CD1 -0.0159 0.0162 0.0085 224 ILE 23 H -0.0094 0.0116 0.0033 225 ILE 23 HA -0.0115 0.0131 0.0050 226 ILE 23 HB -0.0120 0.0119 0.0079 227 ILE 23 HG12 -0.0144 0.0161 0.0056 228 ILE 23 HG13 -0.0135 0.0153 0.0052 229 ILE 23 HG21 -0.0144 0.0129 0.0113 230 ILE 23 HG22 -0.0124 0.0108 0.0106 231 ILE 23 HG23 -0.0140 0.0133 0.0096 232 ILE 23 HD11 -0.0166 0.0176 0.0076 233 ILE 23 HD12 -0.0155 0.0152 0.0095 234 ILE 23 HD13 -0.0166 0.0165 0.0095 235 PRO 24 N -0.0084 0.0099 0.0055 236 PRO 24 CA -0.0067 0.0075 0.0064 237 PRO 24 C -0.0072 0.0067 0.0094 238 PRO 24 O -0.0088 0.0079 0.0110 239 PRO 24 CB -0.0064 0.0076 0.0056 240 PRO 24 CG -0.0072 0.0095 0.0033 241 PRO 24 CD -0.0089 0.0112 0.0040 242 PRO 24 HA -0.0056 0.0066 0.0054 243 PRO 24 HB2 -0.0072 0.0077 0.0071 244 PRO 24 HB3 -0.0051 0.0062 0.0051 245 PRO 24 HG2 -0.0076 0.0100 0.0032 246 PRO 24 HG3 -0.0062 0.0092 0.0017 247 PRO 24 HD2 -0.0101 0.0120 0.0052 248 PRO 24 HD3 -0.0092 0.0123 0.0024 249 LYS 25 N -0.0050 0.0043 0.0078 250 LYS 25 CA -0.0053 0.0031 0.0108 251 LYS 25 C -0.0031 0.0013 0.0113 252 LYS 25 O -0.0009 0.0004 0.0099 253 LYS 25 CB -0.0054 0.0024 0.0124 254 LYS 25 CG -0.0079 0.0040 0.0126 255 LYS 25 CD -0.0102 0.0048 0.0143 256 LYS 25 CE -0.0128 0.0068 0.0138 257 LYS 25 NZ -0.0145 0.0068 0.0164 258 LYS 25 H -0.0036 0.0037 0.0070 259 LYS 25 HA -0.0069 0.0038 0.0116 260 LYS 25 HB2 -0.0040 0.0019 0.0114 261 LYS 25 HB3 -0.0053 0.0014 0.0143 262 LYS 25 HG2 -0.0081 0.0051 0.0107 263 LYS 25 HG3 -0.0078 0.0035 0.0135 264 LYS 25 HD2 -0.0103 0.0039 0.0163 265 LYS 25 HD3 -0.0100 0.0049 0.0137 266 LYS 25 HE2 -0.0136 0.0078 0.0131 267 LYS 25 HE3 -0.0124 0.0073 0.0125 268 LYS 25 HZ1 -0.0160 0.0080 0.0161 269 LYS 25 HZ2 -0.0138 0.0060 0.0171 270 LYS 25 HZ3 -0.0149 0.0064 0.0177 271 LYS 26 N 0.0000 0.0039 0.0100 272 LYS 26 CA 0.0010 0.0017 0.0108 273 LYS 26 C 0.0013 0.0009 0.0118 274 LYS 26 O 0.0008 0.0019 0.0133 275 LYS 26 CB 0.0009 0.0018 0.0126 276 LYS 26 CG 0.0018 -0.0003 0.0133 277 LYS 26 CD 0.0017 -0.0000 0.0143 278 LYS 26 CE 0.0008 0.0019 0.0159 279 LYS 26 NZ 0.0010 0.0013 0.0177 280 LYS 26 H -0.0004 0.0048 0.0112 281 LYS 26 HA 0.0014 0.0007 0.0095 282 LYS 26 HB2 0.0006 0.0026 0.0119 283 LYS 26 HB3 0.0006 0.0024 0.0140 284 LYS 26 HG2 0.0021 -0.0009 0.0145 285 LYS 26 HG3 0.0023 -0.0013 0.0120 286 LYS 26 HD2 0.0022 -0.0013 0.0151 287 LYS 26 HD3 0.0016 0.0002 0.0129 288 LYS 26 HE2 0.0003 0.0031 0.0150 289 LYS 26 HE3 0.0006 0.0022 0.0168 290 LYS 26 HZ1 0.0014 0.0004 0.0170 291 LYS 26 HZ2 0.0005 0.0025 0.0181 292 LYS 26 HZ3 0.0013 0.0007 0.0189 293 VAL 27 N 0.0012 -0.0038 0.0074 294 VAL 27 CA 0.0018 -0.0042 0.0086 295 VAL 27 C 0.0031 -0.0048 0.0086 296 VAL 27 O 0.0036 -0.0049 0.0076 297 VAL 27 CB 0.0018 -0.0043 0.0087 298 VAL 27 CG1 0.0004 -0.0037 0.0088 299 VAL 27 CG2 0.0025 -0.0044 0.0076 300 VAL 27 H 0.0017 -0.0039 0.0067 301 VAL 27 HA 0.0013 -0.0042 0.0094 302 VAL 27 HB 0.0021 -0.0046 0.0095 303 VAL 27 HG11 0.0005 -0.0037 0.0090 304 VAL 27 HG12 -0.0000 -0.0036 0.0095 305 VAL 27 HG13 0.0001 -0.0034 0.0080 306 VAL 27 HG21 0.0023 -0.0043 0.0076 307 VAL 27 HG22 0.0022 -0.0041 0.0068 308 VAL 27 HG23 0.0033 -0.0048 0.0077 309 ALA 28 N 0.0042 -0.0047 0.0032 310 ALA 28 CA 0.0038 -0.0045 0.0031 311 ALA 28 C 0.0034 -0.0044 0.0032 312 ALA 28 O 0.0035 -0.0044 0.0031 313 ALA 28 CB 0.0037 -0.0043 0.0026 314 ALA 28 H 0.0044 -0.0046 0.0029 315 ALA 28 HA 0.0037 -0.0046 0.0033 316 ALA 28 HB1 0.0034 -0.0042 0.0026 317 ALA 28 HB2 0.0040 -0.0044 0.0025 318 ALA 28 HB3 0.0038 -0.0043 0.0024 319 VAL 29 N 0.0044 -0.0059 0.0008 320 VAL 29 CA 0.0041 -0.0056 0.0012 321 VAL 29 C 0.0028 -0.0051 0.0004 322 VAL 29 O 0.0019 -0.0045 0.0005 323 VAL 29 CB 0.0041 -0.0048 0.0027 324 VAL 29 CG1 0.0038 -0.0045 0.0031 325 VAL 29 CG2 0.0053 -0.0052 0.0035 326 VAL 29 H 0.0038 -0.0056 0.0009 327 VAL 29 HA 0.0047 -0.0060 0.0011 328 VAL 29 HB 0.0034 -0.0043 0.0029 329 VAL 29 HG11 0.0040 -0.0041 0.0041 330 VAL 29 HG12 0.0030 -0.0042 0.0027 331 VAL 29 HG13 0.0044 -0.0050 0.0028 332 VAL 29 HG21 0.0053 -0.0048 0.0044 333 VAL 29 HG22 0.0060 -0.0057 0.0033 334 VAL 29 HG23 0.0054 -0.0053 0.0033 335 THR 30 N 0.0003 -0.0044 -0.0061 336 THR 30 CA -0.0020 -0.0047 -0.0079 337 THR 30 C -0.0031 -0.0048 -0.0085 338 THR 30 O -0.0019 -0.0055 -0.0097 339 THR 30 CB -0.0011 -0.0058 -0.0102 340 THR 30 OG1 0.0011 -0.0065 -0.0112 341 THR 30 CG2 -0.0003 -0.0057 -0.0096 342 THR 30 H 0.0014 -0.0048 -0.0066 343 THR 30 HA -0.0034 -0.0043 -0.0071 344 THR 30 HB -0.0026 -0.0060 -0.0114 345 THR 30 HG1 0.0006 -0.0066 -0.0117 346 THR 30 HG21 0.0000 -0.0063 -0.0111 347 THR 30 HG22 -0.0016 -0.0051 -0.0087 348 THR 30 HG23 0.0014 -0.0055 -0.0086 349 SER 31 N -0.0049 -0.0054 -0.0150 350 SER 31 CA -0.0062 -0.0041 -0.0146 351 SER 31 C -0.0090 -0.0057 -0.0197 352 SER 31 O -0.0119 -0.0059 -0.0229 353 SER 31 CB -0.0093 0.0007 -0.0114 354 SER 31 OG -0.0109 0.0019 -0.0113 355 SER 31 H -0.0068 -0.0035 -0.0144 356 SER 31 HA -0.0033 -0.0052 -0.0130 357 SER 31 HB2 -0.0074 0.0017 -0.0080 358 SER 31 HB3 -0.0121 0.0018 -0.0127 359 SER 31 HG -0.0126 0.0046 -0.0095 360 SER 32 N -0.0126 -0.0090 -0.0214 361 SER 32 CA -0.0155 -0.0097 -0.0265 362 SER 32 C -0.0207 -0.0032 -0.0277 363 SER 32 O -0.0241 -0.0033 -0.0329 364 SER 32 CB -0.0123 -0.0128 -0.0247 365 SER 32 OG -0.0102 -0.0093 -0.0182 366 SER 32 H -0.0099 -0.0093 -0.0178 367 SER 32 HA -0.0163 -0.0127 -0.0306 368 SER 32 HB2 -0.0145 -0.0126 -0.0277 369 SER 32 HB3 -0.0095 -0.0173 -0.0249 370 SER 32 HG -0.0083 -0.0112 -0.0172 371 LYS 33 N -0.0187 0.0014 -0.0256 372 LYS 33 CA -0.0224 0.0071 -0.0259 373 LYS 33 C -0.0268 0.0088 -0.0307 374 LYS 33 O -0.0269 0.0075 -0.0320 375 LYS 33 CB -0.0214 0.0118 -0.0202 376 LYS 33 CG -0.0178 0.0112 -0.0154 377 LYS 33 CD -0.0157 0.0144 -0.0095 378 LYS 33 CE -0.0127 0.0147 -0.0048 379 LYS 33 NZ -0.0090 0.0151 0.0008 380 LYS 33 H -0.0168 0.0017 -0.0228 381 LYS 33 HA -0.0229 0.0069 -0.0267 382 LYS 33 HB2 -0.0204 0.0114 -0.0190 383 LYS 33 HB3 -0.0242 0.0156 -0.0207 384 LYS 33 HG2 -0.0192 0.0130 -0.0158 385 LYS 33 HG3 -0.0154 0.0071 -0.0157 386 LYS 33 HD2 -0.0138 0.0123 -0.0087 387 LYS 33 HD3 -0.0181 0.0184 -0.0093 388 LYS 33 HE2 -0.0146 0.0182 -0.0044 389 LYS 33 HE3 -0.0113 0.0112 -0.0060 390 LYS 33 HZ1 -0.0073 0.0153 0.0034 391 LYS 33 HZ2 -0.0073 0.0120 0.0005 392 LYS 33 HZ3 -0.0102 0.0184 0.0020 393 MET 34 N -0.0327 0.0196 -0.0418 394 MET 34 CA -0.0356 0.0213 -0.0489 395 MET 34 C -0.0410 0.0282 -0.0473 396 MET 34 O -0.0443 0.0307 -0.0533 397 MET 34 CB -0.0368 0.0207 -0.0572 398 MET 34 CG -0.0316 0.0136 -0.0604 399 MET 34 SD -0.0291 0.0089 -0.0675 400 MET 34 CE -0.0250 0.0058 -0.0600 401 MET 34 H -0.0347 0.0222 -0.0406 402 MET 34 HA -0.0330 0.0180 -0.0498 403 MET 34 HB2 -0.0389 0.0235 -0.0560 404 MET 34 HB3 -0.0390 0.0223 -0.0617 405 MET 34 HG2 -0.0285 0.0112 -0.0555 406 MET 34 HG3 -0.0324 0.0139 -0.0635 407 MET 34 HE1 -0.0223 0.0019 -0.0629 408 MET 34 HE2 -0.0275 0.0093 -0.0580 409 MET 34 HE3 -0.0230 0.0045 -0.0552 410 ASP 35 N -0.0423 0.0306 -0.0411 411 ASP 35 CA -0.0474 0.0369 -0.0385 412 ASP 35 C -0.0460 0.0355 -0.0376 413 ASP 35 O -0.0406 0.0298 -0.0365 414 ASP 35 CB -0.0489 0.0405 -0.0298 415 ASP 35 CG -0.0437 0.0363 -0.0224 416 ASP 35 OD1 -0.0392 0.0314 -0.0222 417 ASP 35 OD2 -0.0438 0.0377 -0.0169 418 ASP 35 H -0.0403 0.0293 -0.0369 419 ASP 35 HA -0.0510 0.0399 -0.0431 420 ASP 35 HB2 -0.0524 0.0447 -0.0283 421 ASP 35 HB3 -0.0498 0.0413 -0.0305 422 ALA 36 N -0.0521 0.0398 -0.0376 423 ALA 36 CA -0.0511 0.0389 -0.0375 424 ALA 36 C -0.0458 0.0351 -0.0292 425 ALA 36 O -0.0412 0.0304 -0.0308 426 ALA 36 CB -0.0584 0.0459 -0.0370 427 ALA 36 H -0.0564 0.0439 -0.0374 428 ALA 36 HA -0.0492 0.0362 -0.0434 429 ALA 36 HB1 -0.0578 0.0453 -0.0370 430 ALA 36 HB2 -0.0615 0.0480 -0.0427 431 ALA 36 HB3 -0.0603 0.0486 -0.0312 432 TRP 37 N -0.0456 0.0326 -0.0229 433 TRP 37 CA -0.0412 0.0305 -0.0157 434 TRP 37 C -0.0339 0.0255 -0.0172 435 TRP 37 O -0.0293 0.0227 -0.0148 436 TRP 37 CB -0.0432 0.0326 -0.0087 437 TRP 37 CG -0.0388 0.0305 -0.0009 438 TRP 37 CD1 -0.0400 0.0319 0.0049 439 TRP 37 CD2 -0.0326 0.0267 0.0017 440 TRP 37 NE1 -0.0350 0.0293 0.0110 441 TRP 37 CE2 -0.0304 0.0261 0.0092 442 TRP 37 CE3 -0.0288 0.0238 -0.0016 443 TRP 37 CZ2 -0.0246 0.0226 0.0135 444 TRP 37 CZ3 -0.0229 0.0204 0.0027 445 TRP 37 CH2 -0.0209 0.0198 0.0102 446 TRP 37 H -0.0487 0.0348 -0.0222 447 TRP 37 HA -0.0416 0.0310 -0.0143 448 TRP 37 HB2 -0.0478 0.0358 -0.0076 449 TRP 37 HB3 -0.0428 0.0321 -0.0102 450 TRP 37 HD1 -0.0436 0.0344 0.0048 451 TRP 37 HE1 -0.0348 0.0296 0.0153 452 TRP 37 HE3 -0.0301 0.0242 -0.0065 453 TRP 37 HZ2 -0.0232 0.0222 0.0184 454 TRP 37 HZ3 -0.0203 0.0184 0.0006 455 TRP 37 HH2 -0.0170 0.0175 0.0129 456 ASN 38 N -0.0327 0.0260 -0.0181 457 ASN 38 CA -0.0265 0.0201 -0.0192 458 ASN 38 C -0.0247 0.0167 -0.0258 459 ASN 38 O -0.0195 0.0122 -0.0252 460 ASN 38 CB -0.0255 0.0187 -0.0208 461 ASN 38 CG -0.0233 0.0189 -0.0133 462 ASN 38 OD1 -0.0181 0.0153 -0.0093 463 ASN 38 ND2 -0.0271 0.0228 -0.0113 464 ASN 38 H -0.0352 0.0279 -0.0194 465 ASN 38 HA -0.0238 0.0190 -0.0143 466 ASN 38 HB2 -0.0293 0.0215 -0.0234 467 ASN 38 HB3 -0.0224 0.0150 -0.0242 468 ASN 38 HD21 -0.0260 0.0231 -0.0071 469 ASN 38 HD22 -0.0306 0.0252 -0.0142 470 ILE 39 N -0.0281 0.0195 -0.0330 471 ILE 39 CA -0.0256 0.0163 -0.0398 472 ILE 39 C -0.0236 0.0158 -0.0348 473 ILE 39 O -0.0178 0.0112 -0.0361 474 ILE 39 CB -0.0319 0.0193 -0.0481 475 ILE 39 CG1 -0.0334 0.0194 -0.0535 476 ILE 39 CG2 -0.0292 0.0161 -0.0545 477 ILE 39 CD1 -0.0407 0.0234 -0.0607 478 ILE 39 H -0.0328 0.0227 -0.0341 479 ILE 39 HA -0.0211 0.0125 -0.0423 480 ILE 39 HB -0.0366 0.0233 -0.0458 481 ILE 39 HG12 -0.0291 0.0155 -0.0569 482 ILE 39 HG13 -0.0342 0.0209 -0.0491 483 ILE 39 HG21 -0.0326 0.0175 -0.0604 484 ILE 39 HG22 -0.0293 0.0168 -0.0514 485 ILE 39 HG23 -0.0240 0.0120 -0.0558 486 ILE 39 HD11 -0.0416 0.0236 -0.0634 487 ILE 39 HD12 -0.0450 0.0272 -0.0576 488 ILE 39 HD13 -0.0398 0.0218 -0.0656 489 PHE 40 N -0.0263 0.0201 -0.0291 490 PHE 40 CA -0.0248 0.0192 -0.0243 491 PHE 40 C -0.0189 0.0156 -0.0184 492 PHE 40 O -0.0140 0.0125 -0.0180 493 PHE 40 CB -0.0313 0.0235 -0.0198 494 PHE 40 CG -0.0305 0.0231 -0.0140 495 PHE 40 CD1 -0.0315 0.0237 -0.0164 496 PHE 40 CD2 -0.0291 0.0224 -0.0060 497 PHE 40 CE1 -0.0308 0.0234 -0.0110 498 PHE 40 CE2 -0.0284 0.0221 -0.0007 499 PHE 40 CZ -0.0295 0.0227 -0.0033 500 PHE 40 H -0.0303 0.0227 -0.0285 501 PHE 40 HA -0.0234 0.0183 -0.0276 502 PHE 40 HB2 -0.0348 0.0257 -0.0236 503 PHE 40 HB3 -0.0327 0.0245 -0.0169 504 PHE 40 HD1 -0.0325 0.0243 -0.0218 505 PHE 40 HD2 -0.0285 0.0220 -0.0043 506 PHE 40 HE1 -0.0312 0.0236 -0.0126 507 PHE 40 HE2 -0.0273 0.0214 0.0047 508 PHE 40 HZ -0.0293 0.0227 0.0005 509 GLU 41 N -0.0170 0.0142 -0.0128 510 GLU 41 CA -0.0127 0.0113 -0.0082 511 GLU 41 C -0.0071 0.0080 -0.0117 512 GLU 41 O -0.0027 0.0051 -0.0088 513 GLU 41 CB -0.0146 0.0124 -0.0041 514 GLU 41 CG -0.0133 0.0113 0.0034 515 GLU 41 CD -0.0167 0.0133 0.0068 516 GLU 41 OE1 -0.0205 0.0158 0.0038 517 GLU 41 OE2 -0.0154 0.0122 0.0126 518 GLU 41 H -0.0197 0.0159 -0.0130 519 GLU 41 HA -0.0122 0.0109 -0.0051 520 GLU 41 HB2 -0.0186 0.0149 -0.0045 521 GLU 41 HB3 -0.0126 0.0112 -0.0058 522 GLU 41 HG2 -0.0143 0.0118 0.0055 523 GLU 41 HG3 -0.0094 0.0088 0.0039 524 GLY 42 N -0.0073 0.0078 -0.0153 525 GLY 42 CA -0.0026 0.0057 -0.0184 526 GLY 42 C 0.0005 0.0043 -0.0195 527 GLY 42 O 0.0051 0.0020 -0.0200 528 GLY 42 H -0.0099 0.0094 -0.0171 529 GLY 42 HA2 -0.0007 0.0044 -0.0164 530 GLY 42 HA3 -0.0033 0.0066 -0.0220 531 LEU 43 N -0.0004 0.0069 -0.0257 532 LEU 43 CA 0.0028 0.0053 -0.0269 533 LEU 43 C 0.0055 0.0036 -0.0189 534 LEU 43 O 0.0105 0.0011 -0.0193 535 LEU 43 CB -0.0029 0.0083 -0.0307 536 LEU 43 CG -0.0054 0.0100 -0.0393 537 LEU 43 CD1 -0.0125 0.0136 -0.0413 538 LEU 43 CD2 0.0007 0.0072 -0.0457 539 LEU 43 H -0.0052 0.0093 -0.0256 540 LEU 43 HA 0.0070 0.0033 -0.0307 541 LEU 43 HB2 -0.0072 0.0104 -0.0271 542 LEU 43 HB3 -0.0008 0.0073 -0.0310 543 LEU 43 HG -0.0062 0.0104 -0.0397 544 LEU 43 HD11 -0.0139 0.0146 -0.0468 545 LEU 43 HD12 -0.0162 0.0154 -0.0374 546 LEU 43 HD13 -0.0117 0.0132 -0.0409 547 LEU 43 HD21 -0.0010 0.0082 -0.0512 548 LEU 43 HD22 0.0016 0.0067 -0.0453 549 LEU 43 HD23 0.0051 0.0049 -0.0445 550 VAL 44 N 0.0019 0.0036 -0.0125 551 VAL 44 CA 0.0035 0.0013 -0.0070 552 VAL 44 C 0.0063 -0.0014 -0.0032 553 VAL 44 O 0.0103 -0.0046 -0.0009 554 VAL 44 CB -0.0013 0.0035 -0.0030 555 VAL 44 CG1 -0.0059 0.0064 -0.0022 556 VAL 44 CG2 0.0003 0.0010 0.0032 557 VAL 44 H -0.0009 0.0053 -0.0119 558 VAL 44 HA 0.0060 -0.0001 -0.0083 559 VAL 44 HB -0.0023 0.0047 -0.0051 560 VAL 44 HG11 -0.0078 0.0067 0.0019 561 VAL 44 HG12 -0.0082 0.0086 -0.0052 562 VAL 44 HG13 -0.0047 0.0056 -0.0026 563 VAL 44 HG21 -0.0023 0.0023 0.0051 564 VAL 44 HG22 0.0004 0.0004 0.0058 565 VAL 44 HG23 0.0038 -0.0011 0.0026 566 VAL 44 N 0.0018 0.0037 -0.0126 567 VAL 44 CA 0.0032 0.0015 -0.0070 568 VAL 44 C 0.0058 -0.0012 -0.0028 569 VAL 44 O 0.0090 -0.0040 0.0003 570 VAL 44 CB -0.0016 0.0038 -0.0033 571 VAL 44 CG1 -0.0036 0.0060 -0.0071 572 VAL 44 CG2 -0.0059 0.0061 -0.0011 573 VAL 44 H -0.0009 0.0053 -0.0119 574 VAL 44 HA 0.0057 0.0001 -0.0084 575 VAL 44 HB -0.0004 0.0022 0.0003 576 VAL 44 HG11 -0.0038 0.0055 -0.0047 577 VAL 44 HG12 -0.0012 0.0052 -0.0108 578 VAL 44 HG13 -0.0071 0.0085 -0.0081 579 VAL 44 HG21 -0.0092 0.0081 -0.0004 580 VAL 44 HG22 -0.0061 0.0069 -0.0042 581 VAL 44 HG23 -0.0051 0.0047 0.0028 582 MET 45 N 0.0053 -0.0020 0.0008 583 MET 45 CA 0.0062 -0.0030 0.0024 584 MET 45 C 0.0070 -0.0035 0.0012 585 MET 45 O 0.0065 -0.0032 0.0019 586 MET 45 CB 0.0050 -0.0022 0.0045 587 MET 45 CG 0.0042 -0.0017 0.0060 588 MET 45 SD 0.0055 -0.0032 0.0082 589 MET 45 CE 0.0055 -0.0035 0.0103 590 MET 45 H 0.0044 -0.0011 0.0003 591 MET 45 HA 0.0071 -0.0039 0.0029 592 MET 45 HB2 0.0040 -0.0013 0.0040 593 MET 45 HB3 0.0056 -0.0029 0.0055 594 MET 45 HG2 0.0039 -0.0013 0.0050 595 MET 45 HG3 0.0031 -0.0009 0.0068 596 MET 45 HE1 0.0061 -0.0043 0.0116 597 MET 45 HE2 0.0043 -0.0025 0.0108 598 MET 45 HE3 0.0061 -0.0039 0.0095 599 GLY 46 N 0.0053 -0.0058 -0.0019 600 GLY 46 CA 0.0052 -0.0054 -0.0019 601 GLY 46 C 0.0052 -0.0068 -0.0015 602 GLY 46 O 0.0053 -0.0066 -0.0017 603 GLY 46 H 0.0057 -0.0063 -0.0026 604 GLY 46 HA2 0.0047 -0.0047 -0.0012 605 GLY 46 HA3 0.0057 -0.0050 -0.0028 606 SER 47 N 0.0068 -0.0064 0.0060 607 SER 47 CA 0.0066 -0.0056 0.0058 608 SER 47 C 0.0065 -0.0053 0.0052 609 SER 47 O 0.0066 -0.0057 0.0051 610 SER 47 CB 0.0065 -0.0051 0.0065 611 SER 47 OG 0.0066 -0.0053 0.0069 612 SER 47 H 0.0068 -0.0065 0.0059 613 SER 47 HA 0.0066 -0.0055 0.0057 614 SER 47 HB2 0.0064 -0.0046 0.0064 615 SER 47 HB3 0.0065 -0.0052 0.0069 616 SER 47 HG 0.0066 -0.0054 0.0073 617 VAL 48 N 0.0049 -0.0042 0.0072 618 VAL 48 CA 0.0048 -0.0038 0.0064 619 VAL 48 C 0.0043 -0.0031 0.0064 620 VAL 48 O 0.0040 -0.0029 0.0069 621 VAL 48 CB 0.0051 -0.0041 0.0058 622 VAL 48 CG1 0.0057 -0.0048 0.0057 623 VAL 48 CG2 0.0050 -0.0040 0.0061 624 VAL 48 H 0.0047 -0.0041 0.0074 625 VAL 48 HA 0.0049 -0.0039 0.0062 626 VAL 48 HB 0.0051 -0.0038 0.0053 627 VAL 48 HG11 0.0058 -0.0050 0.0053 628 VAL 48 HG12 0.0057 -0.0048 0.0055 629 VAL 48 HG13 0.0057 -0.0051 0.0062 630 VAL 48 HG21 0.0052 -0.0042 0.0058 631 VAL 48 HG22 0.0050 -0.0043 0.0067 632 VAL 48 HG23 0.0047 -0.0036 0.0061 633 TRP 49 N 0.0035 -0.0024 0.0080 634 TRP 49 CA 0.0018 -0.0002 0.0073 635 TRP 49 C 0.0017 0.0001 0.0053 636 TRP 49 O 0.0026 -0.0010 0.0033 637 TRP 49 CB 0.0012 0.0006 0.0059 638 TRP 49 CG 0.0009 0.0010 0.0078 639 TRP 49 CD1 0.0017 -0.0001 0.0081 640 TRP 49 CD2 -0.0005 0.0027 0.0096 641 TRP 49 NE1 0.0010 0.0008 0.0100 642 TRP 49 CE2 -0.0004 0.0025 0.0109 643 TRP 49 CE3 -0.0018 0.0044 0.0102 644 TRP 49 CZ2 -0.0015 0.0039 0.0129 645 TRP 49 CZ3 -0.0030 0.0058 0.0121 646 TRP 49 CH2 -0.0028 0.0056 0.0134 647 TRP 49 H 0.0041 -0.0031 0.0069 648 TRP 49 HA 0.0011 0.0006 0.0088 649 TRP 49 HB2 0.0021 -0.0004 0.0047 650 TRP 49 HB3 0.0003 0.0019 0.0050 651 TRP 49 HD1 0.0027 -0.0012 0.0071 652 TRP 49 HE1 0.0014 0.0003 0.0106 653 TRP 49 HE3 -0.0019 0.0046 0.0093 654 TRP 49 HZ2 -0.0014 0.0038 0.0138 655 TRP 49 HZ3 -0.0038 0.0069 0.0125 656 TRP 49 HH2 -0.0036 0.0065 0.0146 657 VAL 50 N -0.0000 -0.0001 0.0057 658 VAL 50 CA 0.0005 -0.0001 0.0049 659 VAL 50 C -0.0006 0.0013 0.0041 660 VAL 50 O -0.0019 0.0019 0.0050 661 VAL 50 CB 0.0007 -0.0011 0.0062 662 VAL 50 CG1 0.0013 -0.0011 0.0054 663 VAL 50 CG2 0.0016 -0.0025 0.0071 664 VAL 50 H -0.0009 0.0000 0.0065 665 VAL 50 HA 0.0015 -0.0004 0.0040 666 VAL 50 HB -0.0003 -0.0008 0.0070 667 VAL 50 HG11 0.0016 -0.0018 0.0062 668 VAL 50 HG12 0.0005 -0.0002 0.0051 669 VAL 50 HG13 0.0022 -0.0012 0.0044 670 VAL 50 HG21 0.0018 -0.0031 0.0079 671 VAL 50 HG22 0.0026 -0.0028 0.0063 672 VAL 50 HG23 0.0012 -0.0025 0.0077 673 ILE 51 N -0.0014 0.0025 0.0033 674 ILE 51 CA -0.0029 0.0045 0.0020 675 ILE 51 C -0.0022 0.0044 0.0008 676 ILE 51 O -0.0008 0.0040 -0.0011 677 ILE 51 CB -0.0031 0.0056 0.0000 678 ILE 51 CG1 -0.0033 0.0053 0.0010 679 ILE 51 CG2 -0.0050 0.0077 -0.0008 680 ILE 51 CD1 -0.0014 0.0041 -0.0001 681 ILE 51 H -0.0001 0.0018 0.0024 682 ILE 51 HA -0.0042 0.0051 0.0033 683 ILE 51 HB -0.0018 0.0051 -0.0014 684 ILE 51 HG12 -0.0044 0.0066 0.0006 685 ILE 51 HG13 -0.0035 0.0047 0.0028 686 ILE 51 HG21 -0.0051 0.0084 -0.0021 687 ILE 51 HG22 -0.0048 0.0079 -0.0015 688 ILE 51 HG23 -0.0062 0.0082 0.0006 689 ILE 51 HD11 -0.0016 0.0040 0.0006 690 ILE 51 HD12 -0.0002 0.0029 0.0003 691 ILE 51 HD13 -0.0011 0.0047 -0.0019 692 ARG 52 N -0.0025 0.0050 0.0019 693 ARG 52 CA -0.0015 0.0049 0.0010 694 ARG 52 C -0.0019 0.0071 -0.0007 695 ARG 52 O -0.0037 0.0085 -0.0005 696 ARG 52 CB -0.0022 0.0041 0.0027 697 ARG 52 CG -0.0013 0.0038 0.0020 698 ARG 52 CD -0.0026 0.0032 0.0038 699 ARG 52 NE -0.0019 0.0030 0.0034 700 ARG 52 CZ -0.0027 0.0026 0.0047 701 ARG 52 NH1 -0.0043 0.0022 0.0066 702 ARG 52 NH2 -0.0020 0.0024 0.0042 703 ARG 52 H -0.0037 0.0050 0.0030 704 ARG 52 HA 0.0001 0.0041 0.0005 705 ARG 52 HB2 -0.0019 0.0027 0.0038 706 ARG 52 HB3 -0.0038 0.0050 0.0032 707 ARG 52 HG2 -0.0014 0.0051 0.0008 708 ARG 52 HG3 0.0002 0.0028 0.0017 709 ARG 52 HD2 -0.0024 0.0019 0.0050 710 ARG 52 HD3 -0.0040 0.0042 0.0042 711 ARG 52 HE -0.0008 0.0033 0.0022 712 ARG 52 HH11 -0.0048 0.0022 0.0070 713 ARG 52 HH12 -0.0049 0.0019 0.0074 714 ARG 52 HH21 -0.0010 0.0026 0.0029 715 ARG 52 HH22 -0.0026 0.0021 0.0050 716 GLN 53 N -0.0019 0.0069 -0.0029 717 GLN 53 CA -0.0020 0.0089 -0.0050 718 GLN 53 C -0.0024 0.0097 -0.0053 719 GLN 53 O -0.0021 0.0084 -0.0043 720 GLN 53 CB -0.0001 0.0084 -0.0071 721 GLN 53 CG 0.0006 0.0071 -0.0066 722 GLN 53 CD -0.0007 0.0085 -0.0064 723 GLN 53 OE1 -0.0013 0.0105 -0.0078 724 GLN 53 NE2 -0.0012 0.0075 -0.0047 725 GLN 53 H -0.0008 0.0057 -0.0032 726 GLN 53 HA -0.0031 0.0102 -0.0049 727 GLN 53 HB2 0.0009 0.0075 -0.0075 728 GLN 53 HB3 -0.0003 0.0099 -0.0084 729 GLN 53 HG2 0.0006 0.0058 -0.0052 730 GLN 53 HG3 0.0020 0.0066 -0.0079 731 GLN 53 HE21 -0.0007 0.0061 -0.0037 732 GLN 53 HE22 -0.0019 0.0083 -0.0045 733 LYS 54 N -0.0021 0.0127 -0.0072 734 LYS 54 CA -0.0029 0.0134 -0.0073 735 LYS 54 C -0.0005 0.0120 -0.0082 736 LYS 54 O -0.0010 0.0121 -0.0078 737 LYS 54 CB -0.0040 0.0161 -0.0094 738 LYS 54 CG -0.0069 0.0178 -0.0084 739 LYS 54 CD -0.0077 0.0204 -0.0108 740 LYS 54 CE -0.0096 0.0216 -0.0103 741 LYS 54 NZ -0.0120 0.0216 -0.0077 742 LYS 54 H -0.0023 0.0138 -0.0084 743 LYS 54 HA -0.0041 0.0130 -0.0055 744 LYS 54 HB2 -0.0030 0.0165 -0.0110 745 LYS 54 HB3 -0.0040 0.0165 -0.0099 746 LYS 54 HG2 -0.0080 0.0177 -0.0072 747 LYS 54 HG3 -0.0071 0.0172 -0.0075 748 LYS 54 HD2 -0.0062 0.0204 -0.0125 749 LYS 54 HD3 -0.0087 0.0213 -0.0109 750 LYS 54 HE2 -0.0087 0.0208 -0.0102 751 LYS 54 HE3 -0.0102 0.0233 -0.0117 752 LYS 54 HZ1 -0.0130 0.0223 -0.0075 753 LYS 54 HZ2 -0.0129 0.0223 -0.0077 754 LYS 54 HZ3 -0.0115 0.0200 -0.0063 755 ASP 55 N 0.0014 0.0110 -0.0090 756 ASP 55 CA 0.0037 0.0094 -0.0099 757 ASP 55 C 0.0045 0.0066 -0.0080 758 ASP 55 O 0.0065 0.0050 -0.0086 759 ASP 55 CB 0.0057 0.0098 -0.0125 760 ASP 55 CG 0.0066 0.0085 -0.0123 761 ASP 55 OD1 0.0053 0.0080 -0.0104 762 ASP 55 OD2 0.0086 0.0080 -0.0140 763 ASP 55 H 0.0016 0.0110 -0.0092 764 ASP 55 HA 0.0034 0.0100 -0.0102 765 ASP 55 HB2 0.0070 0.0090 -0.0132 766 ASP 55 HB3 0.0050 0.0116 -0.0136 767 ASP 56 N 0.0033 0.0060 -0.0047 768 ASP 56 CA 0.0037 0.0037 -0.0028 769 ASP 56 C 0.0054 0.0023 -0.0032 770 ASP 56 O 0.0061 0.0003 -0.0017 771 ASP 56 CB 0.0044 0.0022 -0.0020 772 ASP 56 CG 0.0024 0.0030 -0.0009 773 ASP 56 OD1 0.0004 0.0043 -0.0002 774 ASP 56 OD2 0.0028 0.0023 -0.0005 775 ASP 56 H 0.0019 0.0070 -0.0045 776 ASP 56 HA 0.0022 0.0038 -0.0015 777 ASP 56 HB2 0.0056 0.0024 -0.0034 778 ASP 56 HB3 0.0049 0.0006 -0.0010 779 SER 57 N 0.0049 0.0031 -0.0046 780 SER 57 CA 0.0062 0.0019 -0.0047 781 SER 57 C 0.0049 0.0020 -0.0031 782 SER 57 O 0.0031 0.0033 -0.0023 783 SER 57 CB 0.0072 0.0027 -0.0072 784 SER 57 OG 0.0056 0.0047 -0.0079 785 SER 57 H 0.0047 0.0042 -0.0059 786 SER 57 HA 0.0073 0.0005 -0.0043 787 SER 57 HB2 0.0081 0.0018 -0.0072 788 SER 57 HB3 0.0079 0.0027 -0.0083 789 SER 57 HG 0.0062 0.0051 -0.0092 790 LEU 58 N 0.0057 0.0003 -0.0005 791 LEU 58 CA 0.0047 0.0003 0.0004 792 LEU 58 C 0.0053 0.0006 -0.0005 793 LEU 58 O 0.0067 0.0002 -0.0014 794 LEU 58 CB 0.0047 -0.0011 0.0020 795 LEU 58 CG 0.0041 -0.0016 0.0031 796 LEU 58 CD1 0.0055 -0.0030 0.0035 797 LEU 58 CD2 0.0026 -0.0016 0.0045 798 LEU 58 H 0.0067 -0.0003 -0.0008 799 LEU 58 HA 0.0036 0.0011 0.0005 800 LEU 58 HB2 0.0058 -0.0019 0.0019 801 LEU 58 HB3 0.0040 -0.0011 0.0026 802 LEU 58 HG 0.0038 -0.0008 0.0025 803 LEU 58 HD11 0.0051 -0.0033 0.0041 804 LEU 58 HD12 0.0064 -0.0029 0.0025 805 LEU 58 HD13 0.0058 -0.0037 0.0040 806 LEU 58 HD21 0.0023 -0.0019 0.0051 807 LEU 58 HD22 0.0028 -0.0023 0.0052 808 LEU 58 HD23 0.0017 -0.0007 0.0042 809 LYS 59 N 0.0021 0.0010 -0.0008 810 LYS 59 CA 0.0032 0.0004 -0.0014 811 LYS 59 C 0.0031 -0.0003 0.0008 812 LYS 59 O 0.0016 0.0003 0.0023 813 LYS 59 CB 0.0023 0.0016 -0.0031 814 LYS 59 CG 0.0027 0.0022 -0.0056 815 LYS 59 CD 0.0013 0.0038 -0.0070 816 LYS 59 CE 0.0016 0.0043 -0.0094 817 LYS 59 NZ 0.0028 0.0041 -0.0113 818 LYS 59 H 0.0009 0.0017 -0.0003 819 LYS 59 HA 0.0045 -0.0004 -0.0022 820 LYS 59 HB2 0.0008 0.0025 -0.0026 821 LYS 59 HB3 0.0028 0.0012 -0.0032 822 LYS 59 HG2 0.0040 0.0015 -0.0064 823 LYS 59 HG3 0.0026 0.0022 -0.0055 824 LYS 59 HD2 -0.0001 0.0045 -0.0062 825 LYS 59 HD3 0.0015 0.0037 -0.0073 826 LYS 59 HE2 0.0022 0.0038 -0.0093 827 LYS 59 HE3 0.0003 0.0054 -0.0098 828 LYS 59 HZ1 0.0022 0.0046 -0.0114 829 LYS 59 HZ2 0.0040 0.0031 -0.0109 830 LYS 59 HZ3 0.0030 0.0044 -0.0126 831 VAL 60 N 0.0042 -0.0020 0.0015 832 VAL 60 CA 0.0042 -0.0024 0.0025 833 VAL 60 C 0.0046 -0.0026 0.0021 834 VAL 60 O 0.0054 -0.0028 0.0014 835 VAL 60 CB 0.0048 -0.0032 0.0033 836 VAL 60 CG1 0.0049 -0.0037 0.0042 837 VAL 60 CG2 0.0044 -0.0031 0.0037 838 VAL 60 H 0.0047 -0.0022 0.0010 839 VAL 60 HA 0.0035 -0.0022 0.0029 840 VAL 60 HB 0.0055 -0.0035 0.0028 841 VAL 60 HG11 0.0051 -0.0041 0.0048 842 VAL 60 HG12 0.0053 -0.0039 0.0039 843 VAL 60 HG13 0.0042 -0.0033 0.0045 844 VAL 60 HG21 0.0047 -0.0036 0.0042 845 VAL 60 HG22 0.0037 -0.0028 0.0040 846 VAL 60 HG23 0.0045 -0.0029 0.0030 847 PHE 61 N 0.0039 -0.0027 0.0020 848 PHE 61 CA 0.0047 -0.0038 0.0021 849 PHE 61 C 0.0055 -0.0044 0.0042 850 PHE 61 O 0.0051 -0.0035 0.0058 851 PHE 61 CB 0.0040 -0.0029 0.0016 852 PHE 61 CG 0.0032 -0.0023 -0.0005 853 PHE 61 CD1 0.0037 -0.0034 -0.0023 854 PHE 61 CD2 0.0019 -0.0006 -0.0008 855 PHE 61 CE1 0.0029 -0.0029 -0.0042 856 PHE 61 CE2 0.0011 -0.0000 -0.0027 857 PHE 61 CZ 0.0016 -0.0012 -0.0045 858 PHE 61 H 0.0034 -0.0018 0.0029 859 PHE 61 HA 0.0053 -0.0048 0.0011 860 PHE 61 HB2 0.0035 -0.0020 0.0026 861 PHE 61 HB3 0.0046 -0.0038 0.0016 862 PHE 61 HD1 0.0045 -0.0046 -0.0022 863 PHE 61 HD2 0.0015 0.0002 0.0004 864 PHE 61 HE1 0.0032 -0.0036 -0.0054 865 PHE 61 HE2 0.0002 0.0012 -0.0028 866 PHE 61 HZ 0.0011 -0.0008 -0.0058 867 SER 62 N 0.0065 -0.0050 0.0044 868 SER 62 CA 0.0074 -0.0052 0.0056 869 SER 62 C 0.0073 -0.0046 0.0061 870 SER 62 O 0.0068 -0.0046 0.0054 871 SER 62 CB 0.0083 -0.0064 0.0054 872 SER 62 OG 0.0091 -0.0066 0.0065 873 SER 62 H 0.0066 -0.0056 0.0038 874 SER 62 HA 0.0075 -0.0048 0.0062 875 SER 62 HB2 0.0084 -0.0068 0.0051 876 SER 62 HB3 0.0082 -0.0067 0.0048 877 SER 62 HG 0.0091 -0.0061 0.0071 878 THR 63 N 0.0075 -0.0050 0.0081 879 THR 63 CA 0.0076 -0.0045 0.0091 880 THR 63 C 0.0082 -0.0056 0.0095 881 THR 63 O 0.0083 -0.0052 0.0103 882 THR 63 CB 0.0078 -0.0037 0.0104 883 THR 63 OG1 0.0084 -0.0047 0.0110 884 THR 63 CG2 0.0072 -0.0025 0.0101 885 THR 63 H 0.0076 -0.0052 0.0085 886 THR 63 HA 0.0072 -0.0038 0.0087 887 THR 63 HB 0.0079 -0.0034 0.0111 888 THR 63 HG1 0.0085 -0.0043 0.0117 889 THR 63 HG21 0.0073 -0.0021 0.0109 890 THR 63 HG22 0.0068 -0.0018 0.0097 891 THR 63 HG23 0.0071 -0.0028 0.0094 892 ASN 64 N 0.0117 -0.0075 0.0090 893 ASN 64 CA 0.0126 -0.0094 0.0098 894 ASN 64 C 0.0121 -0.0110 0.0096 895 ASN 64 O 0.0106 -0.0117 0.0085 896 ASN 64 CB 0.0122 -0.0103 0.0096 897 ASN 64 CG 0.0132 -0.0122 0.0105 898 ASN 64 OD1 0.0147 -0.0121 0.0116 899 ASN 64 ND2 0.0123 -0.0139 0.0100 900 ASN 64 H 0.0108 -0.0075 0.0083 901 ASN 64 HA 0.0138 -0.0091 0.0107 902 ASN 64 HB2 0.0124 -0.0092 0.0097 903 ASN 64 HB3 0.0110 -0.0107 0.0087 904 ASN 64 HD21 0.0128 -0.0150 0.0104 905 ASN 64 HD22 0.0113 -0.0139 0.0091 906 ASN 64 N 0.0117 -0.0075 0.0090 907 ASN 64 CA 0.0126 -0.0094 0.0099 908 ASN 64 C 0.0121 -0.0109 0.0096 909 ASN 64 O 0.0106 -0.0114 0.0085 910 ASN 64 CB 0.0124 -0.0104 0.0098 911 ASN 64 CG 0.0133 -0.0092 0.0103 912 ASN 64 OD1 0.0145 -0.0081 0.0112 913 ASN 64 ND2 0.0126 -0.0095 0.0099 914 ASN 64 H 0.0109 -0.0075 0.0084 915 ASN 64 HA 0.0138 -0.0090 0.0107 916 ASN 64 HB2 0.0112 -0.0106 0.0089 917 ASN 64 HB3 0.0129 -0.0118 0.0102 918 ASN 64 HD21 0.0131 -0.0088 0.0102 919 ASN 64 HD22 0.0118 -0.0103 0.0093 920 CYS 65 N 0.0136 -0.0115 0.0096 921 CYS 65 CA 0.0129 -0.0125 0.0072 922 CYS 65 C 0.0140 -0.0158 0.0054 923 CYS 65 O 0.0162 -0.0177 0.0069 924 CYS 65 CB 0.0135 -0.0122 0.0086 925 CYS 65 SG 0.0126 -0.0134 0.0059 926 CYS 65 HA 0.0112 -0.0113 0.0058 927 CYS 65 HB2 0.0128 -0.0101 0.0098 928 CYS 65 HB3 0.0152 -0.0135 0.0100 929 CYS 65 H 0.0144 -0.0110 0.0115 930 CYS 65 H 0.0146 -0.0112 0.0115 931 PRO 66 N 0.0141 -0.0158 0.0018 932 PRO 66 CA 0.0155 -0.0190 -0.0003 933 PRO 66 C 0.0172 -0.0212 -0.0006 934 PRO 66 O 0.0187 -0.0240 -0.0020 935 PRO 66 CB 0.0132 -0.0188 -0.0038 936 PRO 66 CG 0.0107 -0.0159 -0.0039 937 PRO 66 CD 0.0111 -0.0138 -0.0003 938 PRO 66 HA 0.0167 -0.0198 0.0006 939 PRO 66 HB2 0.0137 -0.0206 -0.0056 940 PRO 66 HB3 0.0130 -0.0187 -0.0040 941 PRO 66 HG2 0.0107 -0.0164 -0.0045 942 PRO 66 HG3 0.0091 -0.0151 -0.0055 943 PRO 66 HD2 0.0103 -0.0124 0.0003 944 PRO 66 HD3 0.0103 -0.0126 0.0001 945 HIS 67 N 0.0171 -0.0219 0.0005 946 HIS 67 CA 0.0193 -0.0245 0.0012 947 HIS 67 C 0.0225 -0.0262 0.0046 948 HIS 67 O 0.0244 -0.0297 0.0038 949 HIS 67 CB 0.0183 -0.0223 0.0020 950 HIS 67 CG 0.0204 -0.0247 0.0029 951 HIS 67 ND1 0.0215 -0.0233 0.0062 952 HIS 67 CD2 0.0218 -0.0284 0.0009 953 HIS 67 CE1 0.0233 -0.0260 0.0062 954 HIS 67 NE2 0.0236 -0.0291 0.0031 955 HIS 67 H 0.0160 -0.0195 0.0014 956 HIS 67 HA 0.0193 -0.0267 -0.0013 957 HIS 67 HB2 0.0163 -0.0215 -0.0003 958 HIS 67 HB3 0.0182 -0.0200 0.0044 959 HIS 67 HD2 0.0215 -0.0301 -0.0014 960 HIS 67 HE1 0.0243 -0.0258 0.0081 961 HIS 67 HE2 0.0247 -0.0313 0.0025 962 LEU 68 N 0.0222 -0.0251 0.0083 963 LEU 68 CA 0.0254 -0.0267 0.0119 964 LEU 68 C 0.0255 -0.0237 0.0152 965 LEU 68 O 0.0278 -0.0238 0.0190 966 LEU 68 CB 0.0274 -0.0279 0.0141 967 LEU 68 CG 0.0282 -0.0319 0.0114 968 LEU 68 CD1 0.0300 -0.0327 0.0137 969 LEU 68 CD2 0.0300 -0.0358 0.0104 970 LEU 68 H 0.0210 -0.0224 0.0089 971 LEU 68 HA 0.0264 -0.0293 0.0109 972 LEU 68 HB2 0.0262 -0.0255 0.0146 973 LEU 68 HB3 0.0293 -0.0285 0.0168 974 LEU 68 HG 0.0263 -0.0313 0.0087 975 LEU 68 HD11 0.0306 -0.0352 0.0120 976 LEU 68 HD12 0.0288 -0.0302 0.0141 977 LEU 68 HD13 0.0319 -0.0331 0.0165 978 LEU 68 HD21 0.0309 -0.0383 0.0094 979 LEU 68 HD22 0.0317 -0.0360 0.0130 980 LEU 68 HD23 0.0286 -0.0357 0.0083 981 GLY 69 N 0.0213 -0.0206 0.0134 982 GLY 69 CA 0.0213 -0.0185 0.0148 983 GLY 69 C 0.0214 -0.0154 0.0172 984 GLY 69 O 0.0218 -0.0137 0.0188 985 GLY 69 H 0.0199 -0.0202 0.0117 986 GLY 69 HA2 0.0199 -0.0179 0.0133 987 GLY 69 HA3 0.0227 -0.0198 0.0158 988 CYS 70 N 0.0203 -0.0153 0.0185 989 CYS 70 CA 0.0196 -0.0116 0.0211 990 CYS 70 C 0.0170 -0.0085 0.0197 991 CYS 70 O 0.0154 -0.0091 0.0165 992 CYS 70 CB 0.0193 -0.0107 0.0215 993 CYS 70 SG 0.0225 -0.0135 0.0242 994 CYS 70 H 0.0203 -0.0164 0.0173 995 CYS 70 HA 0.0211 -0.0116 0.0236 996 CYS 70 HB2 0.0181 -0.0111 0.0190 997 CYS 70 HB3 0.0185 -0.0080 0.0228 998 GLY 71 N 0.0138 -0.0071 0.0202 999 GLY 71 CA 0.0115 -0.0041 0.0192 1000 GLY 71 C 0.0093 -0.0026 0.0171 1001 GLY 71 O 0.0095 -0.0020 0.0179 1002 GLY 71 H 0.0149 -0.0066 0.0223 1003 GLY 71 HA2 0.0111 -0.0049 0.0179 1004 GLY 71 HA3 0.0117 -0.0023 0.0212 1005 ILE 72 N 0.0077 -0.0027 0.0149 1006 ILE 72 CA 0.0056 -0.0010 0.0128 1007 ILE 72 C 0.0039 0.0017 0.0142 1008 ILE 72 O 0.0039 0.0022 0.0153 1009 ILE 72 CB 0.0053 -0.0018 0.0097 1010 ILE 72 CG1 0.0069 -0.0045 0.0081 1011 ILE 72 CG2 0.0031 0.0002 0.0077 1012 ILE 72 CD1 0.0068 -0.0056 0.0052 1013 ILE 72 H 0.0080 -0.0033 0.0146 1014 ILE 72 HA 0.0056 -0.0010 0.0125 1015 ILE 72 HB 0.0056 -0.0020 0.0100 1016 ILE 72 HG12 0.0066 -0.0043 0.0075 1017 ILE 72 HG13 0.0083 -0.0056 0.0095 1018 ILE 72 HG21 0.0029 -0.0005 0.0056 1019 ILE 72 HG22 0.0021 0.0017 0.0086 1020 ILE 72 HG23 0.0027 0.0006 0.0075 1021 ILE 72 HD11 0.0077 -0.0070 0.0041 1022 ILE 72 HD12 0.0074 -0.0061 0.0057 1023 ILE 72 HD13 0.0054 -0.0043 0.0039 1024 ASP 73 N 0.0018 0.0035 0.0159 1025 ASP 73 CA -0.0001 0.0069 0.0171 1026 ASP 73 C -0.0022 0.0086 0.0138 1027 ASP 73 O -0.0024 0.0077 0.0109 1028 ASP 73 CB -0.0003 0.0084 0.0196 1029 ASP 73 CG 0.0016 0.0070 0.0231 1030 ASP 73 OD1 0.0027 0.0061 0.0247 1031 ASP 73 OD2 0.0022 0.0066 0.0242 1032 ASP 73 H 0.0019 0.0031 0.0153 1033 ASP 73 HA 0.0002 0.0071 0.0185 1034 ASP 73 HB2 -0.0005 0.0080 0.0182 1035 ASP 73 HB3 -0.0016 0.0106 0.0203 1036 TRP 74 N -0.0052 0.0086 0.0144 1037 TRP 74 CA -0.0073 0.0108 0.0119 1038 TRP 74 C -0.0098 0.0134 0.0131 1039 TRP 74 O -0.0105 0.0142 0.0163 1040 TRP 74 CB -0.0077 0.0112 0.0120 1041 TRP 74 CG -0.0100 0.0136 0.0098 1042 TRP 74 CD1 -0.0123 0.0161 0.0111 1043 TRP 74 CD2 -0.0103 0.0139 0.0058 1044 TRP 74 NE1 -0.0139 0.0178 0.0082 1045 TRP 74 CE2 -0.0127 0.0165 0.0049 1046 TRP 74 CE3 -0.0087 0.0122 0.0029 1047 TRP 74 CZ2 -0.0136 0.0174 0.0013 1048 TRP 74 CZ3 -0.0095 0.0130 -0.0007 1049 TRP 74 CH2 -0.0120 0.0156 -0.0015 1050 TRP 74 H -0.0052 0.0086 0.0165 1051 TRP 74 HA -0.0069 0.0103 0.0094 1052 TRP 74 HB2 -0.0062 0.0096 0.0110 1053 TRP 74 HB3 -0.0080 0.0115 0.0145 1054 TRP 74 HD1 -0.0127 0.0165 0.0136 1055 TRP 74 HE1 -0.0154 0.0194 0.0084 1056 TRP 74 HE3 -0.0070 0.0104 0.0034 1057 TRP 74 HZ2 -0.0152 0.0191 0.0007 1058 TRP 74 HZ3 -0.0084 0.0119 -0.0027 1059 TRP 74 HH2 -0.0125 0.0162 -0.0040 1060 ALA 75 N -0.0116 0.0158 0.0130 1061 ALA 75 CA -0.0142 0.0192 0.0140 1062 ALA 75 C -0.0165 0.0222 0.0117 1063 ALA 75 O -0.0167 0.0225 0.0075 1064 ALA 75 CB -0.0141 0.0190 0.0125 1065 ALA 75 H -0.0110 0.0151 0.0103 1066 ALA 75 HA -0.0146 0.0196 0.0173 1067 ALA 75 HB1 -0.0158 0.0213 0.0131 1068 ALA 75 HB2 -0.0126 0.0171 0.0141 1069 ALA 75 HB3 -0.0137 0.0186 0.0092 1070 ASN 76 N -0.0204 0.0232 0.0146 1071 ASN 76 CA -0.0213 0.0259 0.0122 1072 ASN 76 C -0.0233 0.0301 0.0106 1073 ASN 76 O -0.0237 0.0323 0.0075 1074 ASN 76 CB -0.0224 0.0261 0.0152 1075 ASN 76 CG -0.0205 0.0238 0.0138 1076 ASN 76 OD1 -0.0195 0.0243 0.0098 1077 ASN 76 ND2 -0.0199 0.0211 0.0170 1078 ASN 76 H -0.0210 0.0226 0.0174 1079 ASN 76 HA -0.0197 0.0248 0.0096 1080 ASN 76 HB2 -0.0227 0.0249 0.0183 1081 ASN 76 HB3 -0.0240 0.0289 0.0151 1082 ASN 76 HD21 -0.0206 0.0208 0.0197 1083 ASN 76 HD22 -0.0189 0.0197 0.0164 1084 ASP 77 N -0.0248 0.0322 0.0134 1085 ASP 77 CA -0.0272 0.0360 0.0115 1086 ASP 77 C -0.0262 0.0355 0.0060 1087 ASP 77 O -0.0277 0.0383 0.0024 1088 ASP 77 CB -0.0286 0.0374 0.0154 1089 ASP 77 CG -0.0264 0.0339 0.0171 1090 ASP 77 OD1 -0.0236 0.0302 0.0156 1091 ASP 77 OD2 -0.0275 0.0350 0.0201 1092 ASP 77 H -0.0239 0.0306 0.0157 1093 ASP 77 HA -0.0288 0.0384 0.0112 1094 ASP 77 HB2 -0.0301 0.0398 0.0138 1095 ASP 77 HB3 -0.0295 0.0381 0.0185 1096 VAL 78 N -0.0232 0.0301 0.0054 1097 VAL 78 CA -0.0224 0.0291 0.0004 1098 VAL 78 C -0.0208 0.0272 -0.0022 1099 VAL 78 O -0.0201 0.0265 -0.0065 1100 VAL 78 CB -0.0205 0.0268 0.0004 1101 VAL 78 CG1 -0.0223 0.0290 0.0023 1102 VAL 78 CG2 -0.0176 0.0232 0.0033 1103 VAL 78 H -0.0219 0.0285 0.0075 1104 VAL 78 HA -0.0242 0.0314 -0.0014 1105 VAL 78 HB -0.0199 0.0262 -0.0029 1106 VAL 78 HG11 -0.0211 0.0275 0.0021 1107 VAL 78 HG12 -0.0241 0.0313 0.0003 1108 VAL 78 HG13 -0.0229 0.0297 0.0056 1109 VAL 78 HG21 -0.0163 0.0217 0.0029 1110 VAL 78 HG22 -0.0182 0.0239 0.0067 1111 VAL 78 HG23 -0.0165 0.0219 0.0022 1112 SER 79 N -0.0193 0.0257 0.0004 1113 SER 79 CA -0.0179 0.0239 -0.0016 1114 SER 79 C -0.0155 0.0206 -0.0039 1115 SER 79 O -0.0151 0.0200 -0.0077 1116 SER 79 CB -0.0196 0.0262 -0.0048 1117 SER 79 OG -0.0214 0.0287 -0.0024 1118 SER 79 H -0.0196 0.0262 0.0031 1119 SER 79 HA -0.0174 0.0232 0.0006 1120 SER 79 HB2 -0.0204 0.0274 -0.0067 1121 SER 79 HB3 -0.0185 0.0248 -0.0065 1122 SER 79 HG -0.0223 0.0300 -0.0041 1123 ARG 80 N -0.0142 0.0183 -0.0011 1124 ARG 80 CA -0.0115 0.0149 -0.0025 1125 ARG 80 C -0.0094 0.0129 0.0011 1126 ARG 80 O -0.0099 0.0140 0.0047 1127 ARG 80 CB -0.0113 0.0144 -0.0038 1128 ARG 80 CG -0.0134 0.0164 -0.0071 1129 ARG 80 CD -0.0132 0.0156 -0.0114 1130 ARG 80 NE -0.0148 0.0170 -0.0146 1131 ARG 80 CZ -0.0156 0.0174 -0.0184 1132 ARG 80 NH1 -0.0150 0.0165 -0.0195 1133 ARG 80 NH2 -0.0171 0.0186 -0.0212 1134 ARG 80 H -0.0143 0.0188 0.0014 1135 ARG 80 HA -0.0113 0.0142 -0.0048 1136 ARG 80 HB2 -0.0114 0.0149 -0.0014 1137 ARG 80 HB3 -0.0095 0.0122 -0.0049 1138 ARG 80 HG2 -0.0152 0.0187 -0.0063 1139 ARG 80 HG3 -0.0131 0.0161 -0.0075 1140 ARG 80 HD2 -0.0114 0.0133 -0.0120 1141 ARG 80 HD3 -0.0140 0.0164 -0.0113 1142 ARG 80 HE -0.0153 0.0176 -0.0141 1143 ARG 80 HH11 -0.0141 0.0156 -0.0178 1144 ARG 80 HH12 -0.0155 0.0167 -0.0220 1145 ARG 80 HH21 -0.0174 0.0192 -0.0205 1146 ARG 80 HH22 -0.0176 0.0189 -0.0236 1147 PHE 81 N -0.0060 0.0089 0.0002 1148 PHE 81 CA -0.0042 0.0068 0.0026 1149 PHE 81 C -0.0037 0.0062 0.0030 1150 PHE 81 O -0.0036 0.0059 0.0006 1151 PHE 81 CB -0.0024 0.0045 0.0014 1152 PHE 81 CG -0.0026 0.0047 0.0016 1153 PHE 81 CD1 -0.0026 0.0049 0.0046 1154 PHE 81 CD2 -0.0027 0.0048 -0.0013 1155 PHE 81 CE1 -0.0027 0.0051 0.0048 1156 PHE 81 CE2 -0.0029 0.0050 -0.0011 1157 PHE 81 CZ -0.0029 0.0051 0.0020 1158 PHE 81 H -0.0057 0.0083 -0.0017 1159 PHE 81 HA -0.0046 0.0074 0.0047 1160 PHE 81 HB2 -0.0022 0.0041 -0.0009 1161 PHE 81 HB3 -0.0011 0.0030 0.0028 1162 PHE 81 HD1 -0.0025 0.0049 0.0066 1163 PHE 81 HD2 -0.0027 0.0046 -0.0033 1164 PHE 81 HE1 -0.0027 0.0052 0.0069 1165 PHE 81 HE2 -0.0031 0.0050 -0.0030 1166 PHE 81 HZ -0.0030 0.0053 0.0021 1167 LEU 82 N -0.0023 0.0063 0.0072 1168 LEU 82 CA -0.0013 0.0053 0.0083 1169 LEU 82 C 0.0015 0.0026 0.0110 1170 LEU 82 O 0.0020 0.0028 0.0139 1171 LEU 82 CB -0.0029 0.0082 0.0108 1172 LEU 82 CG -0.0059 0.0113 0.0088 1173 LEU 82 CD1 -0.0073 0.0139 0.0116 1174 LEU 82 CD2 -0.0063 0.0106 0.0045 1175 LEU 82 H -0.0023 0.0069 0.0093 1176 LEU 82 HA -0.0012 0.0045 0.0057 1177 LEU 82 HB2 -0.0028 0.0088 0.0134 1178 LEU 82 HB3 -0.0022 0.0074 0.0113 1179 LEU 82 HG -0.0067 0.0123 0.0084 1180 LEU 82 HD11 -0.0092 0.0159 0.0103 1181 LEU 82 HD12 -0.0071 0.0144 0.0143 1182 LEU 82 HD13 -0.0064 0.0129 0.0120 1183 LEU 82 HD21 -0.0082 0.0127 0.0035 1184 LEU 82 HD22 -0.0054 0.0095 0.0048 1185 LEU 82 HD23 -0.0056 0.0092 0.0027 1186 CYS 83 N 0.0041 0.0006 0.0099 1187 CYS 83 CA 0.0070 -0.0018 0.0125 1188 CYS 83 C 0.0079 -0.0018 0.0145 1189 CYS 83 O 0.0079 -0.0031 0.0125 1190 CYS 83 CB 0.0089 -0.0055 0.0105 1191 CYS 83 SG 0.0124 -0.0082 0.0140 1192 CYS 83 H 0.0038 -0.0001 0.0079 1193 CYS 83 HA 0.0071 -0.0009 0.0144 1194 CYS 83 HB2 0.0083 -0.0055 0.0092 1195 CYS 83 HB3 0.0087 -0.0064 0.0085 1196 PRO 84 N 0.0086 -0.0010 0.0188 1197 PRO 84 CA 0.0092 -0.0005 0.0211 1198 PRO 84 C 0.0117 -0.0041 0.0221 1199 PRO 84 O 0.0123 -0.0040 0.0237 1200 PRO 84 CB 0.0092 0.0022 0.0251 1201 PRO 84 CG 0.0098 0.0014 0.0256 1202 PRO 84 CD 0.0088 0.0004 0.0213 1203 PRO 84 HA 0.0080 0.0007 0.0197 1204 PRO 84 HB2 0.0104 0.0016 0.0273 1205 PRO 84 HB3 0.0075 0.0048 0.0248 1206 PRO 84 HG2 0.0116 -0.0007 0.0270 1207 PRO 84 HG3 0.0091 0.0036 0.0271 1208 PRO 84 HD2 0.0099 -0.0015 0.0212 1209 PRO 84 HD3 0.0072 0.0026 0.0205 1210 CYS 85 N 0.0148 -0.0063 0.0212 1211 CYS 85 CA 0.0176 -0.0098 0.0222 1212 CYS 85 C 0.0175 -0.0116 0.0194 1213 CYS 85 O 0.0189 -0.0126 0.0208 1214 CYS 85 CB 0.0194 -0.0125 0.0220 1215 CYS 85 SG 0.0207 -0.0111 0.0268 1216 CYS 85 H 0.0144 -0.0065 0.0201 1217 CYS 85 HA 0.0186 -0.0092 0.0250 1218 CYS 85 HB2 0.0183 -0.0124 0.0197 1219 CYS 85 HB3 0.0210 -0.0150 0.0218 1220 HIS 86 N 0.0159 -0.0112 0.0157 1221 HIS 86 CA 0.0157 -0.0129 0.0126 1222 HIS 86 C 0.0124 -0.0105 0.0092 1223 HIS 86 O 0.0118 -0.0121 0.0055 1224 HIS 86 CB 0.0178 -0.0171 0.0104 1225 HIS 86 CG 0.0209 -0.0194 0.0135 1226 HIS 86 ND1 0.0217 -0.0200 0.0144 1227 HIS 86 CD2 0.0234 -0.0212 0.0161 1228 HIS 86 CE1 0.0246 -0.0221 0.0173 1229 HIS 86 NE2 0.0256 -0.0228 0.0184 1230 HIS 86 H 0.0148 -0.0105 0.0146 1231 HIS 86 HA 0.0163 -0.0128 0.0141 1232 HIS 86 HB2 0.0169 -0.0173 0.0083 1233 HIS 86 HB3 0.0180 -0.0183 0.0089 1234 HIS 86 HD2 0.0235 -0.0212 0.0162 1235 HIS 86 HE1 0.0257 -0.0229 0.0184 1236 HIS 86 HE2 0.0274 -0.0240 0.0203 1237 GLU 87 N 0.0099 -0.0068 0.0104 1238 GLU 87 CA 0.0070 -0.0040 0.0077 1239 GLU 87 C 0.0060 -0.0049 0.0035 1240 GLU 87 O 0.0042 -0.0043 0.0001 1241 GLU 87 CB 0.0065 -0.0037 0.0068 1242 GLU 87 CG 0.0074 -0.0027 0.0109 1243 GLU 87 CD 0.0066 -0.0020 0.0099 1244 GLU 87 OE1 0.0042 0.0001 0.0073 1245 GLU 87 OE2 0.0084 -0.0035 0.0118 1246 GLU 87 H 0.0102 -0.0058 0.0128 1247 GLU 87 HA 0.0060 -0.0014 0.0093 1248 GLU 87 HB2 0.0075 -0.0062 0.0052 1249 GLU 87 HB3 0.0046 -0.0017 0.0051 1250 GLU 87 HG2 0.0066 -0.0003 0.0127 1251 GLU 87 HG3 0.0094 -0.0048 0.0125 1252 GLY 88 N 0.0070 -0.0059 0.0041 1253 GLY 88 CA 0.0060 -0.0063 0.0008 1254 GLY 88 C 0.0030 -0.0027 0.0002 1255 GLY 88 O 0.0023 -0.0002 0.0032 1256 GLY 88 H 0.0084 -0.0065 0.0063 1257 GLY 88 HA2 0.0060 -0.0077 -0.0017 1258 GLY 88 HA3 0.0072 -0.0076 0.0015 1259 VAL 89 N 0.0015 -0.0019 -0.0037 1260 VAL 89 CA -0.0013 0.0012 -0.0046 1261 VAL 89 C -0.0014 0.0001 -0.0079 1262 VAL 89 O -0.0007 -0.0019 -0.0110 1263 VAL 89 CB -0.0036 0.0035 -0.0063 1264 VAL 89 CG1 -0.0064 0.0067 -0.0070 1265 VAL 89 CG2 -0.0034 0.0043 -0.0033 1266 VAL 89 H 0.0020 -0.0034 -0.0058 1267 VAL 89 HA -0.0015 0.0024 -0.0021 1268 VAL 89 HB -0.0034 0.0023 -0.0089 1269 VAL 89 HG11 -0.0079 0.0083 -0.0076 1270 VAL 89 HG12 -0.0067 0.0062 -0.0093 1271 VAL 89 HG13 -0.0065 0.0077 -0.0045 1272 VAL 89 HG21 -0.0049 0.0058 -0.0044 1273 VAL 89 HG22 -0.0036 0.0055 -0.0006 1274 VAL 89 HG23 -0.0017 0.0023 -0.0030 1275 PHE 90 N -0.0021 0.0017 -0.0063 1276 PHE 90 CA -0.0024 0.0011 -0.0090 1277 PHE 90 C -0.0049 0.0042 -0.0097 1278 PHE 90 O -0.0059 0.0066 -0.0072 1279 PHE 90 CB -0.0006 -0.0008 -0.0076 1280 PHE 90 CG 0.0020 -0.0037 -0.0060 1281 PHE 90 CD1 0.0028 -0.0034 -0.0023 1282 PHE 90 CD2 0.0035 -0.0066 -0.0082 1283 PHE 90 CE1 0.0051 -0.0060 -0.0009 1284 PHE 90 CE2 0.0058 -0.0092 -0.0068 1285 PHE 90 CZ 0.0066 -0.0089 -0.0032 1286 PHE 90 H -0.0026 0.0031 -0.0044 1287 PHE 90 HA -0.0022 -0.0000 -0.0113 1288 PHE 90 HB2 -0.0010 0.0005 -0.0056 1289 PHE 90 HB3 -0.0006 -0.0016 -0.0096 1290 PHE 90 HD1 0.0018 -0.0015 -0.0008 1291 PHE 90 HD2 0.0030 -0.0068 -0.0107 1292 PHE 90 HE1 0.0057 -0.0058 0.0016 1293 PHE 90 HE2 0.0069 -0.0111 -0.0083 1294 PHE 90 HZ 0.0082 -0.0107 -0.0022 1295 ASP 91 N -0.0052 0.0048 -0.0134 1296 ASP 91 CA -0.0078 0.0074 -0.0140 1297 ASP 91 C -0.0072 0.0072 -0.0119 1298 ASP 91 O -0.0049 0.0050 -0.0102 1299 ASP 91 CB -0.0090 0.0080 -0.0185 1300 ASP 91 CG -0.0074 0.0058 -0.0211 1301 ASP 91 OD1 -0.0056 0.0041 -0.0196 1302 ASP 91 OD2 -0.0080 0.0058 -0.0249 1303 ASP 91 H -0.0044 0.0035 -0.0155 1304 ASP 91 HA -0.0092 0.0092 -0.0126 1305 ASP 91 HB2 -0.0109 0.0100 -0.0186 1306 ASP 91 HB3 -0.0091 0.0079 -0.0195 1307 VAL 92 N -0.0070 0.0096 -0.0111 1308 VAL 92 CA -0.0068 0.0092 -0.0092 1309 VAL 92 C -0.0048 0.0073 -0.0107 1310 VAL 92 O -0.0041 0.0065 -0.0090 1311 VAL 92 CB -0.0092 0.0116 -0.0090 1312 VAL 92 CG1 -0.0097 0.0123 -0.0123 1313 VAL 92 CG2 -0.0093 0.0116 -0.0062 1314 VAL 92 H -0.0083 0.0109 -0.0122 1315 VAL 92 HA -0.0064 0.0087 -0.0070 1316 VAL 92 HB -0.0103 0.0128 -0.0084 1317 VAL 92 HG11 -0.0113 0.0140 -0.0122 1318 VAL 92 HG12 -0.0094 0.0122 -0.0141 1319 VAL 92 HG13 -0.0087 0.0113 -0.0126 1320 VAL 92 HG21 -0.0108 0.0132 -0.0061 1321 VAL 92 HG22 -0.0081 0.0104 -0.0067 1322 VAL 92 HG23 -0.0090 0.0112 -0.0041 1323 ASN 93 N -0.0056 0.0059 -0.0126 1324 ASN 93 CA -0.0035 0.0038 -0.0142 1325 ASN 93 C -0.0011 0.0014 -0.0136 1326 ASN 93 O 0.0007 -0.0004 -0.0152 1327 ASN 93 CB -0.0040 0.0043 -0.0181 1328 ASN 93 CG -0.0061 0.0064 -0.0189 1329 ASN 93 OD1 -0.0065 0.0068 -0.0172 1330 ASN 93 ND2 -0.0076 0.0079 -0.0215 1331 ASN 93 H -0.0062 0.0066 -0.0139 1332 ASN 93 HA -0.0034 0.0037 -0.0132 1333 ASN 93 HB2 -0.0043 0.0046 -0.0191 1334 ASN 93 HB3 -0.0026 0.0029 -0.0192 1335 ASN 93 HD21 -0.0073 0.0076 -0.0225 1336 ASN 93 HD22 -0.0088 0.0092 -0.0220 1337 GLY 94 N -0.0027 0.0010 -0.0115 1338 GLY 94 CA -0.0003 -0.0017 -0.0104 1339 GLY 94 C 0.0005 -0.0034 -0.0125 1340 GLY 94 O 0.0025 -0.0057 -0.0116 1341 GLY 94 H -0.0035 0.0025 -0.0103 1342 GLY 94 HA2 0.0001 -0.0012 -0.0080 1343 GLY 94 HA3 0.0006 -0.0029 -0.0105 1344 LYS 95 N -0.0006 -0.0025 -0.0168 1345 LYS 95 CA 0.0003 -0.0042 -0.0200 1346 LYS 95 C 0.0004 -0.0040 -0.0183 1347 LYS 95 O -0.0016 -0.0014 -0.0165 1348 LYS 95 CB -0.0021 -0.0030 -0.0241 1349 LYS 95 CG -0.0012 -0.0047 -0.0277 1350 LYS 95 CD -0.0040 -0.0028 -0.0312 1351 LYS 95 CE -0.0032 -0.0045 -0.0345 1352 LYS 95 NZ -0.0001 -0.0072 -0.0332 1353 LYS 95 H -0.0025 -0.0007 -0.0173 1354 LYS 95 HA 0.0023 -0.0064 -0.0206 1355 LYS 95 HB2 -0.0022 -0.0031 -0.0251 1356 LYS 95 HB3 -0.0041 -0.0008 -0.0236 1357 LYS 95 HG2 -0.0004 -0.0052 -0.0265 1358 LYS 95 HG3 0.0004 -0.0066 -0.0289 1359 LYS 95 HD2 -0.0046 -0.0026 -0.0327 1360 LYS 95 HD3 -0.0057 -0.0008 -0.0300 1361 LYS 95 HE2 -0.0032 -0.0051 -0.0372 1362 LYS 95 HE3 -0.0047 -0.0030 -0.0348 1363 LYS 95 HZ1 0.0000 -0.0067 -0.0308 1364 LYS 95 HZ2 0.0003 -0.0081 -0.0352 1365 LYS 95 HZ3 0.0014 -0.0087 -0.0329 1366 THR 96 N 0.0006 -0.0078 -0.0194 1367 THR 96 CA 0.0011 -0.0078 -0.0177 1368 THR 96 C -0.0008 -0.0063 -0.0201 1369 THR 96 O -0.0011 -0.0073 -0.0236 1370 THR 96 CB 0.0037 -0.0111 -0.0177 1371 THR 96 OG1 0.0055 -0.0130 -0.0164 1372 THR 96 CG2 0.0043 -0.0110 -0.0150 1373 THR 96 H 0.0017 -0.0097 -0.0204 1374 THR 96 HA 0.0009 -0.0066 -0.0151 1375 THR 96 HB 0.0037 -0.0122 -0.0203 1376 THR 96 HG1 0.0069 -0.0148 -0.0164 1377 THR 96 HG21 0.0062 -0.0129 -0.0140 1378 THR 96 HG22 0.0037 -0.0106 -0.0164 1379 THR 96 HG23 0.0036 -0.0092 -0.0129 1380 ILE 97 N -0.0015 -0.0036 -0.0194 1381 ILE 97 CA -0.0034 -0.0020 -0.0216 1382 ILE 97 C -0.0027 -0.0023 -0.0200 1383 ILE 97 O -0.0039 -0.0016 -0.0221 1384 ILE 97 CB -0.0064 0.0017 -0.0218 1385 ILE 97 CG1 -0.0069 0.0038 -0.0176 1386 ILE 97 CG2 -0.0071 0.0018 -0.0239 1387 ILE 97 CD1 -0.0099 0.0075 -0.0176 1388 ILE 97 H -0.0014 -0.0028 -0.0168 1389 ILE 97 HA -0.0033 -0.0032 -0.0245 1390 ILE 97 HB -0.0075 0.0026 -0.0234 1391 ILE 97 HG12 -0.0058 0.0030 -0.0160 1392 ILE 97 HG13 -0.0064 0.0036 -0.0162 1393 ILE 97 HG21 -0.0090 0.0040 -0.0245 1394 ILE 97 HG22 -0.0065 0.0002 -0.0265 1395 ILE 97 HG23 -0.0061 0.0012 -0.0221 1396 ILE 97 HD11 -0.0101 0.0087 -0.0149 1397 ILE 97 HD12 -0.0110 0.0083 -0.0195 1398 ILE 97 HD13 -0.0104 0.0077 -0.0185 1399 SER 98 N -0.0011 -0.0042 -0.0168 1400 SER 98 C 0.0031 -0.0072 -0.0121 1401 SER 98 O 0.0038 -0.0071 -0.0101 1402 SER 98 CA 0.0002 -0.0051 -0.0155 1403 SER 98 CB -0.0019 -0.0020 -0.0141 1404 SER 98 OG -0.0021 -0.0000 -0.0101 1405 SER 98 H -0.0003 -0.0044 -0.0151 1406 SER 98 HA 0.0006 -0.0066 -0.0179 1407 SER 98 HB2 -0.0012 -0.0028 -0.0139 1408 SER 98 HB3 -0.0038 -0.0005 -0.0161 1409 SER 98 HG -0.0005 -0.0012 -0.0083 1410 SER 98 CA 0.0001 -0.0049 -0.0153 1411 SER 98 CB -0.0019 -0.0016 -0.0134 1412 SER 98 OG -0.0012 -0.0022 -0.0128 1413 SER 98 H -0.0002 -0.0045 -0.0152 1414 SER 98 HA 0.0003 -0.0062 -0.0176 1415 SER 98 HB2 -0.0039 -0.0000 -0.0152 1416 SER 98 HB3 -0.0018 -0.0006 -0.0107 1417 SER 98 HG 0.0006 -0.0040 -0.0118 1418 GLY 99 N 0.0049 -0.0100 -0.0112 1419 GLY 99 CA 0.0078 -0.0124 -0.0081 1420 GLY 99 C 0.0099 -0.0163 -0.0099 1421 GLY 99 O 0.0093 -0.0174 -0.0138 1422 GLY 99 H 0.0046 -0.0102 -0.0125 1423 GLY 99 HA2 0.0083 -0.0125 -0.0068 1424 GLY 99 HA3 0.0078 -0.0113 -0.0059 1425 PRO 100 N 0.0124 -0.0190 -0.0071 1426 PRO 100 CA 0.0148 -0.0229 -0.0085 1427 PRO 100 C 0.0154 -0.0242 -0.0093 1428 PRO 100 O 0.0175 -0.0275 -0.0102 1429 PRO 100 CB 0.0175 -0.0244 -0.0048 1430 PRO 100 CG 0.0169 -0.0214 -0.0010 1431 PRO 100 CD 0.0136 -0.0179 -0.0025 1432 PRO 100 HA 0.0144 -0.0239 -0.0111 1433 PRO 100 HB2 0.0193 -0.0266 -0.0046 1434 PRO 100 HB3 0.0177 -0.0248 -0.0052 1435 PRO 100 HG2 0.0174 -0.0215 -0.0001 1436 PRO 100 HG3 0.0180 -0.0215 0.0013 1437 PRO 100 HD2 0.0127 -0.0159 -0.0011 1438 PRO 100 HD3 0.0132 -0.0170 -0.0020 1439 ALA 101 N 0.0132 -0.0209 -0.0087 1440 ALA 101 CA 0.0138 -0.0219 -0.0091 1441 ALA 101 C 0.0135 -0.0243 -0.0133 1442 ALA 101 O 0.0113 -0.0236 -0.0162 1443 ALA 101 CB 0.0116 -0.0186 -0.0082 1444 ALA 101 H 0.0116 -0.0187 -0.0082 1445 ALA 101 HA 0.0158 -0.0232 -0.0071 1446 ALA 101 HB1 0.0121 -0.0194 -0.0084 1447 ALA 101 HB2 0.0118 -0.0172 -0.0055 1448 ALA 101 HB3 0.0095 -0.0174 -0.0101 1449 PRO 102 N 0.0158 -0.0274 -0.0140 1450 PRO 102 CA 0.0158 -0.0298 -0.0182 1451 PRO 102 C 0.0136 -0.0285 -0.0200 1452 PRO 102 O 0.0134 -0.0303 -0.0235 1453 PRO 102 CB 0.0195 -0.0331 -0.0173 1454 PRO 102 CG 0.0205 -0.0317 -0.0129 1455 PRO 102 CD 0.0189 -0.0287 -0.0107 1456 PRO 102 HA 0.0151 -0.0302 -0.0201 1457 PRO 102 HB2 0.0196 -0.0344 -0.0193 1458 PRO 102 HB3 0.0207 -0.0345 -0.0174 1459 PRO 102 HG2 0.0198 -0.0309 -0.0130 1460 PRO 102 HG3 0.0230 -0.0335 -0.0116 1461 PRO 102 HD2 0.0185 -0.0270 -0.0085 1462 PRO 102 HD3 0.0204 -0.0295 -0.0094 1463 ARG 103 N 0.0121 -0.0249 -0.0173 1464 ARG 103 CA 0.0091 -0.0233 -0.0174 1465 ARG 103 C 0.0070 -0.0201 -0.0148 1466 ARG 103 O 0.0082 -0.0192 -0.0129 1467 ARG 103 CB 0.0110 -0.0236 -0.0164 1468 ARG 103 CG 0.0144 -0.0228 -0.0130 1469 ARG 103 CD 0.0149 -0.0217 -0.0113 1470 ARG 103 NE 0.0116 -0.0189 -0.0101 1471 ARG 103 CZ 0.0106 -0.0178 -0.0094 1472 ARG 103 NH1 0.0127 -0.0191 -0.0096 1473 ARG 103 NH2 0.0074 -0.0151 -0.0083 1474 ARG 103 H 0.0126 -0.0237 -0.0155 1475 ARG 103 HA 0.0073 -0.0241 -0.0198 1476 ARG 103 HB2 0.0090 -0.0222 -0.0161 1477 ARG 103 HB3 0.0120 -0.0256 -0.0183 1478 ARG 103 HG2 0.0168 -0.0246 -0.0136 1479 ARG 103 HG3 0.0140 -0.0213 -0.0114 1480 ARG 103 HD2 0.0151 -0.0232 -0.0130 1481 ARG 103 HD3 0.0172 -0.0214 -0.0093 1482 ARG 103 HE 0.0101 -0.0179 -0.0098 1483 ARG 103 HH11 0.0148 -0.0208 -0.0102 1484 ARG 103 HH12 0.0120 -0.0184 -0.0091 1485 ARG 103 HH21 0.0061 -0.0142 -0.0081 1486 ARG 103 HH22 0.0068 -0.0144 -0.0078 1487 GLY 104 N 0.0067 -0.0177 -0.0158 1488 GLY 104 CA 0.0050 -0.0140 -0.0138 1489 GLY 104 C 0.0066 -0.0130 -0.0106 1490 GLY 104 O 0.0090 -0.0152 -0.0097 1491 GLY 104 H 0.0059 -0.0185 -0.0177 1492 GLY 104 HA2 0.0050 -0.0131 -0.0129 1493 GLY 104 HA3 0.0029 -0.0129 -0.0154 1494 MET 105 N 0.0055 -0.0097 -0.0073 1495 MET 105 CA 0.0063 -0.0091 -0.0047 1496 MET 105 C 0.0069 -0.0099 -0.0052 1497 MET 105 O 0.0060 -0.0103 -0.0073 1498 MET 105 CB 0.0046 -0.0066 -0.0034 1499 MET 105 CG 0.0044 -0.0058 -0.0023 1500 MET 105 SD 0.0021 -0.0029 -0.0014 1501 MET 105 CE 0.0025 -0.0018 0.0012 1502 MET 105 H 0.0041 -0.0087 -0.0077 1503 MET 105 HA 0.0076 -0.0097 -0.0035 1504 MET 105 HB2 0.0032 -0.0059 -0.0047 1505 MET 105 HB3 0.0050 -0.0061 -0.0019 1506 MET 105 HG2 0.0057 -0.0061 -0.0007 1507 MET 105 HG3 0.0044 -0.0065 -0.0037 1508 MET 105 HE1 0.0013 -0.0002 0.0019 1509 MET 105 HE2 0.0025 -0.0022 0.0004 1510 MET 105 HE3 0.0039 -0.0024 0.0026 1511 TYR 106 N 0.0065 -0.0088 -0.0011 1512 TYR 106 CA 0.0071 -0.0094 -0.0012 1513 TYR 106 C 0.0052 -0.0073 -0.0008 1514 TYR 106 O 0.0046 -0.0055 0.0012 1515 TYR 106 CB 0.0096 -0.0100 0.0010 1516 TYR 106 CG 0.0116 -0.0120 0.0009 1517 TYR 106 CD1 0.0125 -0.0142 -0.0010 1518 TYR 106 CD2 0.0127 -0.0117 0.0027 1519 TYR 106 CE1 0.0144 -0.0160 -0.0012 1520 TYR 106 CE2 0.0146 -0.0135 0.0026 1521 TYR 106 CZ 0.0154 -0.0157 0.0006 1522 TYR 106 OH 0.0173 -0.0174 0.0005 1523 TYR 106 H 0.0073 -0.0085 0.0004 1524 TYR 106 HA 0.0071 -0.0107 -0.0029 1525 TYR 106 HB2 0.0095 -0.0087 0.0027 1526 TYR 106 HB3 0.0100 -0.0105 0.0010 1527 TYR 106 HD1 0.0118 -0.0144 -0.0022 1528 TYR 106 HD2 0.0121 -0.0102 0.0040 1529 TYR 106 HE1 0.0149 -0.0174 -0.0025 1530 TYR 106 HE2 0.0153 -0.0133 0.0038 1531 TYR 106 HH 0.0170 -0.0183 -0.0010 1532 SER 107 N 0.0061 -0.0060 -0.0003 1533 SER 107 CA 0.0051 -0.0053 0.0001 1534 SER 107 C 0.0055 -0.0052 0.0007 1535 SER 107 O 0.0061 -0.0057 0.0002 1536 SER 107 CB 0.0041 -0.0055 -0.0009 1537 SER 107 OG 0.0044 -0.0061 -0.0017 1538 SER 107 H 0.0064 -0.0064 -0.0008 1539 SER 107 HA 0.0049 -0.0049 0.0007 1540 SER 107 HB2 0.0034 -0.0050 -0.0006 1541 SER 107 HB3 0.0038 -0.0056 -0.0012 1542 SER 107 HG 0.0046 -0.0060 -0.0014 1543 SER 107 N 0.0061 -0.0060 -0.0003 1544 SER 107 CA 0.0051 -0.0054 0.0000 1545 SER 107 C 0.0056 -0.0052 0.0007 1546 SER 107 O 0.0064 -0.0057 0.0004 1547 SER 107 CB 0.0043 -0.0056 -0.0010 1548 SER 107 OG 0.0033 -0.0051 -0.0008 1549 SER 107 H 0.0064 -0.0064 -0.0008 1550 SER 107 HA 0.0047 -0.0050 0.0005 1551 SER 107 HB2 0.0040 -0.0058 -0.0015 1552 SER 107 HB3 0.0047 -0.0060 -0.0014 1553 SER 107 HG 0.0035 -0.0050 -0.0004 1554 TYR 108 N 0.0057 -0.0033 0.0040 1555 TYR 108 CA 0.0059 -0.0033 0.0042 1556 TYR 108 C 0.0056 -0.0032 0.0042 1557 TYR 108 O 0.0053 -0.0031 0.0042 1558 TYR 108 CB 0.0059 -0.0031 0.0045 1559 TYR 108 CG 0.0061 -0.0031 0.0046 1560 TYR 108 CD1 0.0061 -0.0032 0.0045 1561 TYR 108 CD2 0.0064 -0.0031 0.0049 1562 TYR 108 CE1 0.0064 -0.0032 0.0046 1563 TYR 108 CE2 0.0066 -0.0031 0.0050 1564 TYR 108 CZ 0.0066 -0.0032 0.0049 1565 TYR 108 OH 0.0069 -0.0032 0.0050 1566 TYR 108 H 0.0056 -0.0032 0.0040 1567 TYR 108 HA 0.0061 -0.0033 0.0042 1568 TYR 108 HB2 0.0056 -0.0030 0.0046 1569 TYR 108 HB3 0.0059 -0.0030 0.0047 1570 TYR 108 HD1 0.0060 -0.0032 0.0044 1571 TYR 108 HD2 0.0064 -0.0030 0.0050 1572 TYR 108 HE1 0.0064 -0.0033 0.0045 1573 TYR 108 HE2 0.0068 -0.0031 0.0051 1574 TYR 108 HH 0.0069 -0.0031 0.0052 1575 ARG 109 N 0.0060 -0.0009 0.0058 1576 ARG 109 CA 0.0067 -0.0014 0.0075 1577 ARG 109 C 0.0065 -0.0030 0.0074 1578 ARG 109 O 0.0061 -0.0029 0.0065 1579 ARG 109 CB 0.0072 0.0002 0.0082 1580 ARG 109 CG 0.0079 -0.0002 0.0099 1581 ARG 109 CD 0.0083 0.0014 0.0105 1582 ARG 109 NE 0.0091 0.0012 0.0122 1583 ARG 109 CZ 0.0094 0.0017 0.0129 1584 ARG 109 NH1 0.0091 0.0025 0.0120 1585 ARG 109 NH2 0.0100 0.0014 0.0144 1586 ARG 109 H 0.0060 0.0002 0.0055 1587 ARG 109 HA 0.0069 -0.0017 0.0081 1588 ARG 109 HB2 0.0073 0.0011 0.0082 1589 ARG 109 HB3 0.0070 0.0005 0.0076 1590 ARG 109 HG2 0.0078 -0.0011 0.0099 1591 ARG 109 HG3 0.0081 -0.0006 0.0106 1592 ARG 109 HD2 0.0084 0.0024 0.0105 1593 ARG 109 HD3 0.0081 0.0018 0.0099 1594 ARG 109 HE 0.0093 0.0006 0.0129 1595 ARG 109 HH11 0.0087 0.0027 0.0110 1596 ARG 109 HH12 0.0093 0.0029 0.0124 1597 ARG 109 HH21 0.0102 0.0008 0.0150 1598 ARG 109 HH22 0.0102 0.0017 0.0148 1599 THR 110 N 0.0095 -0.0025 0.0050 1600 THR 110 CA 0.0092 -0.0037 0.0052 1601 THR 110 C 0.0101 -0.0043 0.0058 1602 THR 110 O 0.0109 -0.0038 0.0061 1603 THR 110 CB 0.0084 -0.0039 0.0048 1604 THR 110 OG1 0.0075 -0.0033 0.0042 1605 THR 110 CG2 0.0080 -0.0051 0.0050 1606 THR 110 H 0.0099 -0.0022 0.0051 1607 THR 110 HA 0.0089 -0.0040 0.0051 1608 THR 110 HB 0.0087 -0.0036 0.0049 1609 THR 110 HG1 0.0071 -0.0033 0.0040 1610 THR 110 HG21 0.0074 -0.0052 0.0047 1611 THR 110 HG22 0.0085 -0.0055 0.0054 1612 THR 110 HG23 0.0078 -0.0054 0.0049 1613 THR 110 N 0.0095 -0.0025 0.0050 1614 THR 110 CA 0.0092 -0.0037 0.0052 1615 THR 110 C 0.0101 -0.0043 0.0058 1616 THR 110 O 0.0109 -0.0037 0.0061 1617 THR 110 CB 0.0084 -0.0039 0.0048 1618 THR 110 OG1 0.0089 -0.0034 0.0049 1619 THR 110 CG2 0.0074 -0.0033 0.0041 1620 THR 110 H 0.0099 -0.0022 0.0051 1621 THR 110 HA 0.0089 -0.0040 0.0051 1622 THR 110 HB 0.0082 -0.0047 0.0049 1623 THR 110 HG1 0.0085 -0.0035 0.0047 1624 THR 110 HG21 0.0073 -0.0029 0.0039 1625 THR 110 HG22 0.0069 -0.0039 0.0040 1626 THR 110 HG23 0.0076 -0.0028 0.0041 1627 LYS 111 N 0.0114 -0.0047 0.0064 1628 LYS 111 CA 0.0125 -0.0056 0.0071 1629 LYS 111 C 0.0118 -0.0071 0.0072 1630 LYS 111 O 0.0106 -0.0076 0.0069 1631 LYS 111 CB 0.0137 -0.0058 0.0076 1632 LYS 111 CG 0.0133 -0.0067 0.0077 1633 LYS 111 CD 0.0146 -0.0069 0.0082 1634 LYS 111 CE 0.0142 -0.0078 0.0083 1635 LYS 111 NZ 0.0154 -0.0081 0.0088 1636 LYS 111 H 0.0107 -0.0052 0.0063 1637 LYS 111 HA 0.0129 -0.0051 0.0071 1638 LYS 111 HB2 0.0145 -0.0062 0.0080 1639 LYS 111 HB3 0.0141 -0.0048 0.0074 1640 LYS 111 HG2 0.0126 -0.0063 0.0073 1641 LYS 111 HG3 0.0129 -0.0077 0.0078 1642 LYS 111 HD2 0.0153 -0.0074 0.0086 1643 LYS 111 HD3 0.0150 -0.0059 0.0081 1644 LYS 111 HE2 0.0135 -0.0073 0.0079 1645 LYS 111 HE3 0.0137 -0.0088 0.0084 1646 LYS 111 HZ1 0.0160 -0.0073 0.0088 1647 LYS 111 HZ2 0.0151 -0.0083 0.0088 1648 LYS 111 HZ3 0.0159 -0.0089 0.0092 1649 VAL 112 N 0.0138 -0.0066 0.0051 1650 VAL 112 CA 0.0130 -0.0079 0.0060 1651 VAL 112 C 0.0146 -0.0094 0.0065 1652 VAL 112 O 0.0162 -0.0090 0.0060 1653 VAL 112 CB 0.0122 -0.0073 0.0058 1654 VAL 112 CG1 0.0113 -0.0087 0.0067 1655 VAL 112 CG2 0.0106 -0.0057 0.0052 1656 VAL 112 H 0.0147 -0.0060 0.0046 1657 VAL 112 HA 0.0119 -0.0084 0.0064 1658 VAL 112 HB 0.0132 -0.0068 0.0053 1659 VAL 112 HG11 0.0108 -0.0083 0.0066 1660 VAL 112 HG12 0.0124 -0.0097 0.0070 1661 VAL 112 HG13 0.0103 -0.0092 0.0072 1662 VAL 112 HG21 0.0101 -0.0054 0.0051 1663 VAL 112 HG22 0.0096 -0.0061 0.0056 1664 VAL 112 HG23 0.0112 -0.0048 0.0046 1665 GLU 113 N 0.0146 -0.0109 0.0081 1666 GLU 113 CA 0.0162 -0.0126 0.0085 1667 GLU 113 C 0.0154 -0.0147 0.0091 1668 GLU 113 O 0.0136 -0.0154 0.0094 1669 GLU 113 CB 0.0166 -0.0131 0.0086 1670 GLU 113 CG 0.0181 -0.0150 0.0091 1671 GLU 113 CD 0.0184 -0.0156 0.0092 1672 GLU 113 OE1 0.0190 -0.0142 0.0088 1673 GLU 113 OE2 0.0181 -0.0175 0.0097 1674 GLU 113 H 0.0133 -0.0113 0.0083 1675 GLU 113 HA 0.0176 -0.0122 0.0083 1676 GLU 113 HB2 0.0173 -0.0118 0.0082 1677 GLU 113 HB3 0.0152 -0.0133 0.0087 1678 GLU 113 HG2 0.0174 -0.0163 0.0094 1679 GLU 113 HG3 0.0195 -0.0148 0.0089 1680 ASN 114 N 0.0178 -0.0157 0.0087 1681 ASN 114 CA 0.0168 -0.0176 0.0098 1682 ASN 114 C 0.0138 -0.0168 0.0104 1683 ASN 114 O 0.0122 -0.0185 0.0116 1684 ASN 114 CB 0.0174 -0.0204 0.0108 1685 ASN 114 CG 0.0204 -0.0212 0.0102 1686 ASN 114 OD1 0.0222 -0.0202 0.0092 1687 ASN 114 ND2 0.0210 -0.0230 0.0107 1688 ASN 114 H 0.0193 -0.0151 0.0080 1689 ASN 114 HA 0.0178 -0.0175 0.0094 1690 ASN 114 HB2 0.0164 -0.0206 0.0112 1691 ASN 114 HB3 0.0168 -0.0216 0.0115 1692 ASN 114 HD21 0.0227 -0.0235 0.0104 1693 ASN 114 HD22 0.0197 -0.0237 0.0114 1694 ASN 115 N 0.0129 -0.0141 0.0094 1695 ASN 115 CA 0.0104 -0.0130 0.0097 1696 ASN 115 C 0.0088 -0.0131 0.0103 1697 ASN 115 O 0.0066 -0.0124 0.0107 1698 ASN 115 CB 0.0093 -0.0141 0.0107 1699 ASN 115 CG 0.0073 -0.0125 0.0105 1700 ASN 115 OD1 0.0073 -0.0105 0.0093 1701 ASN 115 ND2 0.0054 -0.0133 0.0117 1702 ASN 115 H 0.0139 -0.0131 0.0085 1703 ASN 115 HA 0.0105 -0.0115 0.0087 1704 ASN 115 HB2 0.0105 -0.0145 0.0105 1705 ASN 115 HB3 0.0087 -0.0153 0.0117 1706 ASN 115 HD21 0.0054 -0.0147 0.0125 1707 ASN 115 HD22 0.0042 -0.0125 0.0116 1708 ASN 115 N 0.0129 -0.0141 0.0094 1709 ASN 115 CA 0.0104 -0.0130 0.0096 1710 ASN 115 C 0.0088 -0.0130 0.0102 1711 ASN 115 O 0.0066 -0.0123 0.0106 1712 ASN 115 CB 0.0093 -0.0140 0.0106 1713 ASN 115 CG 0.0104 -0.0135 0.0100 1714 ASN 115 OD1 0.0113 -0.0119 0.0086 1715 ASN 115 ND2 0.0104 -0.0150 0.0109 1716 ASN 115 H 0.0139 -0.0131 0.0084 1717 ASN 115 HA 0.0105 -0.0115 0.0087 1718 ASN 115 HB2 0.0095 -0.0156 0.0115 1719 ASN 115 HB3 0.0076 -0.0133 0.0109 1720 ASN 115 HD21 0.0097 -0.0161 0.0118 1721 ASN 115 HD22 0.0110 -0.0148 0.0105 1722 THR 116 N 0.0096 -0.0137 0.0100 1723 THR 116 CA 0.0082 -0.0134 0.0099 1724 THR 116 C 0.0086 -0.0114 0.0087 1725 THR 116 O 0.0105 -0.0108 0.0083 1726 THR 116 CB 0.0088 -0.0149 0.0107 1727 THR 116 OG1 0.0081 -0.0168 0.0117 1728 THR 116 CG2 0.0076 -0.0145 0.0105 1729 THR 116 H 0.0109 -0.0140 0.0100 1730 THR 116 HA 0.0067 -0.0135 0.0100 1731 THR 116 HB 0.0103 -0.0150 0.0106 1732 THR 116 HG1 0.0084 -0.0176 0.0122 1733 THR 116 HG21 0.0077 -0.0156 0.0111 1734 THR 116 HG22 0.0084 -0.0134 0.0099 1735 THR 116 HG23 0.0061 -0.0141 0.0104 1736 VAL 117 N 0.0072 -0.0100 0.0083 1737 VAL 117 CA 0.0073 -0.0087 0.0074 1738 VAL 117 C 0.0078 -0.0092 0.0076 1739 VAL 117 O 0.0069 -0.0099 0.0083 1740 VAL 117 CB 0.0057 -0.0076 0.0072 1741 VAL 117 CG1 0.0058 -0.0062 0.0063 1742 VAL 117 CG2 0.0052 -0.0071 0.0070 1743 VAL 117 H 0.0061 -0.0101 0.0086 1744 VAL 117 HA 0.0082 -0.0082 0.0068 1745 VAL 117 HB 0.0048 -0.0081 0.0077 1746 VAL 117 HG11 0.0048 -0.0055 0.0061 1747 VAL 117 HG12 0.0059 -0.0065 0.0065 1748 VAL 117 HG13 0.0068 -0.0058 0.0057 1749 VAL 117 HG21 0.0042 -0.0064 0.0068 1750 VAL 117 HG22 0.0061 -0.0067 0.0065 1751 VAL 117 HG23 0.0050 -0.0080 0.0076 1752 PHE 118 N 0.0084 -0.0088 0.0069 1753 PHE 118 CA 0.0083 -0.0082 0.0067 1754 PHE 118 C 0.0082 -0.0063 0.0062 1755 PHE 118 O 0.0091 -0.0053 0.0063 1756 PHE 118 CB 0.0100 -0.0086 0.0073 1757 PHE 118 CG 0.0101 -0.0104 0.0077 1758 PHE 118 CD1 0.0094 -0.0111 0.0077 1759 PHE 118 CD2 0.0109 -0.0115 0.0083 1760 PHE 118 CE1 0.0095 -0.0128 0.0081 1761 PHE 118 CE2 0.0111 -0.0132 0.0087 1762 PHE 118 CZ 0.0104 -0.0138 0.0086 1763 PHE 118 H 0.0093 -0.0084 0.0070 1764 PHE 118 HA 0.0074 -0.0088 0.0065 1765 PHE 118 HB2 0.0109 -0.0082 0.0075 1766 PHE 118 HB3 0.0100 -0.0079 0.0072 1767 PHE 118 HD1 0.0088 -0.0104 0.0073 1768 PHE 118 HD2 0.0114 -0.0110 0.0083 1769 PHE 118 HE1 0.0091 -0.0132 0.0080 1770 PHE 118 HE2 0.0116 -0.0139 0.0090 1771 PHE 118 HZ 0.0104 -0.0150 0.0089 1772 VAL 119 N 0.0075 -0.0056 0.0060 1773 VAL 119 CA 0.0074 -0.0046 0.0059 1774 VAL 119 C 0.0074 -0.0040 0.0059 1775 VAL 119 O 0.0071 -0.0043 0.0057 1776 VAL 119 CB 0.0066 -0.0044 0.0054 1777 VAL 119 CG1 0.0066 -0.0050 0.0054 1778 VAL 119 CG2 0.0059 -0.0048 0.0049 1779 VAL 119 H 0.0072 -0.0058 0.0058 1780 VAL 119 HA 0.0078 -0.0043 0.0062 1781 VAL 119 HB 0.0065 -0.0037 0.0053 1782 VAL 119 HG11 0.0061 -0.0049 0.0050 1783 VAL 119 HG12 0.0070 -0.0047 0.0057 1784 VAL 119 HG13 0.0067 -0.0056 0.0055 1785 VAL 119 HG21 0.0055 -0.0047 0.0045 1786 VAL 119 HG22 0.0060 -0.0054 0.0050 1787 VAL 119 HG23 0.0059 -0.0044 0.0048 1788 ASP 120 N 0.0070 -0.0020 0.0064 1789 ASP 120 CA 0.0065 -0.0004 0.0066 1790 ASP 120 C 0.0057 0.0006 0.0058 1791 ASP 120 O 0.0058 0.0013 0.0065 1792 ASP 120 CB 0.0071 0.0003 0.0083 1793 ASP 120 CG 0.0065 0.0021 0.0085 1794 ASP 120 OD1 0.0057 0.0027 0.0074 1795 ASP 120 OD2 0.0069 0.0028 0.0099 1796 ASP 120 H 0.0074 -0.0021 0.0071 1797 ASP 120 HA 0.0062 -0.0005 0.0061 1798 ASP 120 HB2 0.0075 -0.0003 0.0087 1799 ASP 120 HB3 0.0073 0.0003 0.0088 1800 TYR 121 N 0.0047 0.0011 0.0089 1801 TYR 121 CA 0.0033 0.0024 0.0082 1802 TYR 121 C 0.0014 0.0052 0.0098 1803 TYR 121 O 0.0002 0.0064 0.0096 1804 TYR 121 CB 0.0024 0.0020 0.0045 1805 TYR 121 CG 0.0005 0.0034 0.0029 1806 TYR 121 CD1 0.0011 0.0023 0.0018 1807 TYR 121 CD2 -0.0018 0.0058 0.0025 1808 TYR 121 CE1 -0.0006 0.0036 0.0003 1809 TYR 121 CE2 -0.0035 0.0071 0.0010 1810 TYR 121 CZ -0.0029 0.0060 -0.0001 1811 TYR 121 OH -0.0047 0.0074 -0.0016 1812 TYR 121 H 0.0045 0.0008 0.0073 1813 TYR 121 HA 0.0044 0.0015 0.0090 1814 TYR 121 HB2 0.0017 0.0026 0.0041 1815 TYR 121 HB3 0.0036 0.0002 0.0035 1816 TYR 121 HD1 0.0026 0.0007 0.0020 1817 TYR 121 HD2 -0.0022 0.0066 0.0032 1818 TYR 121 HE1 -0.0002 0.0029 -0.0005 1819 TYR 121 HE2 -0.0051 0.0088 0.0008 1820 TYR 121 HH -0.0060 0.0088 -0.0015 1821 ALA 122 N 0.0027 0.0070 0.0059 1822 ALA 122 CA 0.0021 0.0097 0.0070 1823 ALA 122 C 0.0026 0.0097 0.0095 1824 ALA 122 O 0.0022 0.0119 0.0106 1825 ALA 122 CB 0.0017 0.0114 0.0077 1826 ALA 122 H 0.0031 0.0063 0.0067 1827 ALA 122 HA 0.0015 0.0107 0.0055 1828 ALA 122 HB1 0.0013 0.0133 0.0082 1829 ALA 122 HB2 0.0014 0.0113 0.0062 1830 ALA 122 HB3 0.0023 0.0107 0.0093 1831 ALA 123 N 0.0050 0.0046 0.0070 1832 ALA 123 CA 0.0050 0.0040 0.0080 1833 ALA 123 C 0.0050 0.0026 0.0072 1834 ALA 123 O 0.0049 0.0012 0.0078 1835 ALA 123 CB 0.0049 0.0035 0.0097 1836 ALA 123 H 0.0050 0.0037 0.0066 1837 ALA 123 HA 0.0050 0.0050 0.0081 1838 ALA 123 HB1 0.0049 0.0038 0.0106 1839 ALA 123 HB2 0.0049 0.0041 0.0100 1840 ALA 123 HB3 0.0049 0.0024 0.0097 1841 ILE 124 N 0.0064 -0.0020 0.0046 1842 ILE 124 CA 0.0060 -0.0027 0.0038 1843 ILE 124 C 0.0059 -0.0037 0.0026 1844 ILE 124 O 0.0068 -0.0039 0.0022 1845 ILE 124 CB 0.0071 -0.0025 0.0038 1846 ILE 124 CG1 0.0071 -0.0016 0.0050 1847 ILE 124 CG2 0.0067 -0.0033 0.0029 1848 ILE 124 CD1 0.0085 -0.0012 0.0052 1849 ILE 124 H 0.0073 -0.0019 0.0046 1850 ILE 124 HA 0.0050 -0.0026 0.0041 1851 ILE 124 HB 0.0081 -0.0026 0.0036 1852 ILE 124 HG12 0.0063 -0.0016 0.0051 1853 ILE 124 HG13 0.0070 -0.0011 0.0056 1854 ILE 124 HG21 0.0073 -0.0031 0.0031 1855 ILE 124 HG22 0.0070 -0.0039 0.0021 1856 ILE 124 HG23 0.0057 -0.0034 0.0030 1857 ILE 124 HD11 0.0084 -0.0006 0.0060 1858 ILE 124 HD12 0.0093 -0.0011 0.0051 1859 ILE 124 HD13 0.0086 -0.0016 0.0047 1860 THR 125 N 0.0063 -0.0062 0.0011 1861 THR 125 CA 0.0057 -0.0082 -0.0004 1862 THR 125 C 0.0065 -0.0099 -0.0021 1863 THR 125 O 0.0063 -0.0100 -0.0021 1864 THR 125 CB 0.0027 -0.0088 0.0001 1865 THR 125 OG1 0.0018 -0.0075 0.0015 1866 THR 125 CG2 0.0018 -0.0111 -0.0015 1867 THR 125 OXT 0.0075 -0.0113 -0.0035 1868 THR 125 H 0.0055 -0.0061 0.0015 1869 THR 125 HA 0.0065 -0.0082 -0.0006 1870 THR 125 HB 0.0018 -0.0087 0.0005 1871 THR 125 HG1 0.0028 -0.0062 0.0022 1872 THR 125 HG21 0.0001 -0.0113 -0.0011 1873 THR 125 HG22 0.0017 -0.0121 -0.0023 1874 THR 125 HG23 0.0031 -0.0115 -0.0022