1 GLY 2 N 0.0055 0.0180 0.0034 2 GLY 2 HN 0.0075 0.0180 0.0044 3 GLY 2 CA 0.0039 0.0208 0.0029 4 GLY 2 HA1 0.0053 0.0225 0.0038 5 GLY 2 HA2 0.0022 0.0206 0.0021 6 GLY 2 C 0.0028 0.0218 0.0025 7 GLY 2 O 0.0004 0.0228 0.0014 8 GLY 2 C1 0.0043 0.0153 0.0025 9 GLY 2 O1 0.0018 0.0153 0.0013 10 GLY 2 C2 0.0059 0.0125 0.0031 11 GLY 2 H2A 0.0066 0.0116 0.0033 12 GLY 2 H2B 0.0077 0.0130 0.0040 13 GLY 2 C3 0.0042 0.0102 0.0020 14 GLY 2 H3A 0.0023 0.0098 0.0010 15 GLY 2 H3B 0.0036 0.0112 0.0018 16 GLY 2 C4 0.0058 0.0072 0.0024 17 GLY 2 H4A 0.0076 0.0076 0.0034 18 GLY 2 H4B 0.0064 0.0062 0.0026 19 GLY 2 C5 0.0040 0.0050 0.0013 20 GLY 2 H5A 0.0030 0.0035 0.0007 21 GLY 2 H5B 0.0023 0.0063 0.0007 22 GLY 2 C6 0.0055 0.0031 0.0019 23 GLY 2 H6A 0.0067 0.0012 0.0023 24 GLY 2 H6B 0.0069 0.0046 0.0027 25 GLY 2 C7 0.0035 0.0018 0.0008 26 GLY 2 H7A 0.0022 0.0003 -0.0000 27 GLY 2 H7B 0.0022 0.0037 0.0003 28 GLY 2 C8 0.0049 0.0002 0.0013 29 GLY 2 H8A 0.0033 -0.0007 0.0004 30 GLY 2 H8B 0.0061 -0.0018 0.0017 31 GLY 2 C9 0.0067 0.0021 0.0024 32 GLY 2 H9A 0.0083 0.0031 0.0032 33 GLY 2 H9B 0.0055 0.0041 0.0020 34 GLY 2 C10 0.0082 0.0005 0.0029 35 GLY 2 H10A 0.0094 0.0022 0.0037 36 GLY 2 H10B 0.0096 -0.0013 0.0034 37 GLY 2 C11 0.0063 -0.0009 0.0019 38 GLY 2 H11A 0.0053 -0.0028 0.0012 39 GLY 2 H11B 0.0047 0.0008 0.0012 40 GLY 2 C12 0.0078 -0.0020 0.0025 41 GLY 2 H12A 0.0089 -0.0001 0.0032 42 GLY 2 H12B 0.0094 -0.0037 0.0031 43 GLY 2 C13 0.0060 -0.0034 0.0015 44 GLY 2 H13A 0.0052 -0.0054 0.0008 45 GLY 2 H13B 0.0043 -0.0017 0.0008 46 GLY 2 C14 0.0075 -0.0041 0.0021 47 GLY 2 H14A 0.0093 -0.0056 0.0029 48 GLY 2 H14B 0.0062 -0.0053 0.0013 49 GLY 2 H14C 0.0081 -0.0020 0.0026 50 ASN 3 N 0.0071 0.0088 0.0037 51 ASN 3 HN 0.0057 0.0092 0.0041 52 ASN 3 CA 0.0072 0.0075 0.0031 53 ASN 3 HA 0.0085 0.0066 0.0026 54 ASN 3 CB 0.0052 0.0061 0.0029 55 ASN 3 HB1 0.0052 0.0051 0.0025 56 ASN 3 HB2 0.0038 0.0070 0.0034 57 ASN 3 CG 0.0050 0.0049 0.0024 58 ASN 3 OD1 0.0059 0.0034 0.0017 59 ASN 3 ND2 0.0038 0.0055 0.0029 60 ASN 3 HD21 0.0037 0.0048 0.0026 61 ASN 3 HD22 0.0034 0.0069 0.0035 62 ASN 3 C 0.0075 0.0084 0.0035 63 ASN 3 O 0.0076 0.0101 0.0042 64 ARG 4 N 0.0025 0.0144 0.0034 65 ARG 4 HN 0.0025 0.0152 0.0038 66 ARG 4 CA 0.0025 0.0099 0.0002 67 ARG 4 HA 0.0024 0.0099 -0.0006 68 ARG 4 CB 0.0015 0.0101 -0.0050 69 ARG 4 HB1 0.0014 0.0070 -0.0077 70 ARG 4 HB2 0.0017 0.0092 -0.0044 71 ARG 4 CG 0.0003 0.0152 -0.0079 72 ARG 4 HG1 -0.0003 0.0147 -0.0116 73 ARG 4 HG2 0.0003 0.0183 -0.0056 74 ARG 4 CD -0.0002 0.0171 -0.0090 75 ARG 4 HD1 0.0004 0.0179 -0.0053 76 ARG 4 HD2 -0.0002 0.0142 -0.0114 77 ARG 4 NE -0.0014 0.0220 -0.0120 78 ARG 4 HE -0.0018 0.0226 -0.0137 79 ARG 4 CZ -0.0019 0.0259 -0.0121 80 ARG 4 NH1 -0.0014 0.0258 -0.0096 81 ARG 4 HH11 -0.0006 0.0230 -0.0070 82 ARG 4 HH12 -0.0018 0.0289 -0.0093 83 ARG 4 NH2 -0.0030 0.0300 -0.0148 84 ARG 4 HH21 -0.0034 0.0329 -0.0149 85 ARG 4 HH22 -0.0033 0.0302 -0.0165 86 ARG 4 C 0.0036 0.0047 0.0025 87 ARG 4 O 0.0039 0.0007 0.0009 88 ALA 5 N 0.0021 0.0032 0.0044 89 ALA 5 HN 0.0020 0.0039 0.0047 90 ALA 5 CA 0.0026 0.0026 0.0048 91 ALA 5 HA 0.0026 0.0019 0.0044 92 ALA 5 CB 0.0027 0.0031 0.0052 93 ALA 5 HB1 0.0031 0.0026 0.0055 94 ALA 5 HB2 0.0023 0.0032 0.0047 95 ALA 5 HB3 0.0027 0.0038 0.0056 96 ALA 5 C 0.0032 0.0024 0.0055 97 ALA 5 O 0.0033 0.0030 0.0058 98 PHE 6 N 0.0045 -0.0022 0.0047 99 PHE 6 HN 0.0045 -0.0029 0.0043 100 PHE 6 CA 0.0044 -0.0022 0.0058 101 PHE 6 HA 0.0043 -0.0014 0.0063 102 PHE 6 CB 0.0044 -0.0022 0.0055 103 PHE 6 HB1 0.0043 -0.0024 0.0063 104 PHE 6 HB2 0.0045 -0.0028 0.0048 105 PHE 6 CG 0.0044 -0.0010 0.0051 106 PHE 6 CD1 0.0045 -0.0006 0.0040 107 PHE 6 HD1 0.0046 -0.0012 0.0033 108 PHE 6 CE1 0.0045 0.0006 0.0036 109 PHE 6 HE1 0.0046 0.0008 0.0027 110 PHE 6 CZ 0.0044 0.0013 0.0045 111 PHE 6 HZ 0.0045 0.0022 0.0042 112 PHE 6 CD2 0.0043 -0.0002 0.0059 113 PHE 6 HD2 0.0042 -0.0005 0.0068 114 PHE 6 CE2 0.0043 0.0010 0.0056 115 PHE 6 HE2 0.0043 0.0016 0.0062 116 PHE 6 C 0.0043 -0.0031 0.0067 117 PHE 6 O 0.0043 -0.0041 0.0064 118 LYS 7 N 0.0033 -0.0075 0.0053 119 LYS 7 HN 0.0024 -0.0076 0.0048 120 LYS 7 CA 0.0030 -0.0074 0.0050 121 LYS 7 HA 0.0040 -0.0072 0.0054 122 LYS 7 CB 0.0019 -0.0086 0.0054 123 LYS 7 HB1 0.0023 -0.0093 0.0063 124 LYS 7 HB2 0.0018 -0.0084 0.0052 125 LYS 7 CG 0.0005 -0.0090 0.0049 126 LYS 7 HG1 0.0002 -0.0082 0.0040 127 LYS 7 HG2 0.0006 -0.0094 0.0053 128 LYS 7 CD -0.0007 -0.0099 0.0050 129 LYS 7 HD1 -0.0005 -0.0108 0.0059 130 LYS 7 HD2 -0.0006 -0.0095 0.0047 131 LYS 7 CE -0.0022 -0.0101 0.0042 132 LYS 7 HE1 -0.0029 -0.0106 0.0042 133 LYS 7 HE2 -0.0023 -0.0092 0.0033 134 LYS 7 NZ -0.0026 -0.0108 0.0046 135 LYS 7 HZ1 -0.0028 -0.0117 0.0053 136 LYS 7 HZ2 -0.0018 -0.0106 0.0049 137 LYS 7 HZ3 -0.0034 -0.0107 0.0040 138 LYS 7 C 0.0026 -0.0063 0.0037 139 LYS 7 O 0.0020 -0.0059 0.0030 140 SER 8 N 0.0036 -0.0115 0.0059 141 SER 8 HN 0.0037 -0.0112 0.0060 142 SER 8 CA 0.0036 -0.0108 0.0050 143 SER 8 HA 0.0035 -0.0114 0.0047 144 SER 8 CB 0.0038 -0.0097 0.0056 145 SER 8 HB1 0.0039 -0.0100 0.0064 146 SER 8 HB2 0.0038 -0.0092 0.0049 147 SER 8 OG 0.0040 -0.0089 0.0060 148 SER 8 HG1 0.0041 -0.0093 0.0066 149 SER 8 C 0.0035 -0.0105 0.0040 150 SER 8 O 0.0035 -0.0105 0.0040 151 HIS 9 N -0.0005 -0.0129 0.0084 152 HIS 9 HN -0.0003 -0.0117 0.0086 153 HIS 9 CA -0.0022 -0.0131 0.0073 154 HIS 9 HA -0.0031 -0.0121 0.0069 155 HIS 9 CB -0.0023 -0.0123 0.0074 156 HIS 9 HB1 -0.0036 -0.0124 0.0065 157 HIS 9 HB2 -0.0013 -0.0132 0.0079 158 HIS 9 CD2 -0.0004 -0.0091 0.0087 159 HIS 9 HD2 0.0008 -0.0097 0.0094 160 HIS 9 CG -0.0018 -0.0101 0.0078 161 HIS 9 NE2 -0.0007 -0.0071 0.0087 162 HIS 9 HE2 0.0001 -0.0059 0.0093 163 HIS 9 ND1 -0.0030 -0.0088 0.0071 164 HIS 9 HD1 -0.0042 -0.0091 0.0064 165 HIS 9 CE1 -0.0023 -0.0069 0.0077 166 HIS 9 HE1 -0.0029 -0.0055 0.0075 167 HIS 9 C -0.0030 -0.0152 0.0067 168 HIS 9 O -0.0035 -0.0159 0.0064 169 HIS 10 N 0.0122 -0.0131 -0.0023 170 HIS 10 HN -0.0003 -0.0142 -0.0042 171 HIS 10 CA 0.0201 -0.0123 -0.0172 172 HIS 10 HA 0.0316 -0.0113 -0.0124 173 HIS 10 CB 0.0056 -0.0135 -0.0264 174 HIS 10 HB1 0.0121 -0.0128 -0.0372 175 HIS 10 HB2 -0.0054 -0.0143 -0.0329 176 HIS 10 CD2 -0.0217 -0.0160 -0.0087 177 HIS 10 HD2 -0.0332 -0.0170 -0.0123 178 HIS 10 CG -0.0038 -0.0144 -0.0134 179 HIS 10 NE2 -0.0233 -0.0162 0.0013 180 HIS 10 HE2 -0.0348 -0.0173 0.0063 181 HIS 10 ND1 0.0059 -0.0136 -0.0067 182 HIS 10 HD1 0.0193 -0.0124 -0.0082 183 HIS 10 CE1 -0.0062 -0.0148 0.0021 184 HIS 10 HE1 -0.0032 -0.0146 0.0089 185 HIS 10 C 0.0268 -0.0115 -0.0326 186 HIS 10 O 0.0315 -0.0110 -0.0474 187 GLY 11 N 0.0051 -0.0109 -0.0012 188 GLY 11 HN 0.0047 -0.0119 -0.0008 189 GLY 11 CA 0.0036 -0.0104 0.0002 190 GLY 11 HA1 0.0043 -0.0093 -0.0003 191 GLY 11 HA2 0.0031 -0.0123 0.0007 192 GLY 11 C 0.0020 -0.0088 0.0019 193 GLY 11 O 0.0006 -0.0084 0.0032 194 HIS 12 N 0.0037 -0.0080 0.0013 195 HIS 12 HN 0.0036 -0.0072 -0.0003 196 HIS 12 CA 0.0029 -0.0060 0.0039 197 HIS 12 HA 0.0028 -0.0055 0.0040 198 HIS 12 CB 0.0021 -0.0029 0.0035 199 HIS 12 HB1 0.0015 -0.0017 0.0058 200 HIS 12 HB2 0.0023 -0.0034 0.0030 201 HIS 12 CD2 0.0009 0.0023 0.0012 202 HIS 12 HD2 0.0003 0.0039 0.0030 203 HIS 12 CG 0.0018 -0.0007 0.0010 204 HIS 12 NE2 0.0010 0.0032 -0.0017 205 HIS 12 HE2 0.0005 0.0054 -0.0023 206 HIS 12 ND1 0.0023 -0.0018 -0.0018 207 HIS 12 HD1 0.0030 -0.0039 -0.0026 208 HIS 12 CE1 0.0018 0.0007 -0.0034 209 HIS 12 HE1 0.0020 0.0007 -0.0057 210 HIS 12 C 0.0030 -0.0075 0.0071 211 HIS 12 O 0.0034 -0.0093 0.0073 212 PHE 13 N 0.0012 -0.0021 0.0065 213 PHE 13 HN 0.0011 -0.0012 0.0067 214 PHE 13 CA 0.0006 -0.0029 0.0076 215 PHE 13 HA 0.0007 -0.0040 0.0073 216 PHE 13 CB 0.0002 -0.0026 0.0085 217 PHE 13 HB1 -0.0002 -0.0034 0.0092 218 PHE 13 HB2 0.0000 -0.0016 0.0089 219 PHE 13 CG 0.0005 -0.0027 0.0079 220 PHE 13 CD1 0.0007 -0.0039 0.0074 221 PHE 13 HD1 0.0006 -0.0047 0.0074 222 PHE 13 CE1 0.0010 -0.0039 0.0068 223 PHE 13 HE1 0.0011 -0.0049 0.0064 224 PHE 13 CZ 0.0011 -0.0028 0.0067 225 PHE 13 HZ 0.0013 -0.0029 0.0063 226 PHE 13 CD2 0.0006 -0.0016 0.0078 227 PHE 13 HD2 0.0004 -0.0006 0.0082 228 PHE 13 CE2 0.0008 -0.0016 0.0073 229 PHE 13 HE2 0.0009 -0.0007 0.0072 230 PHE 13 C 0.0003 -0.0027 0.0082 231 PHE 13 O 0.0004 -0.0016 0.0082 232 LEU 14 N 0.0060 -0.0018 0.0054 233 LEU 14 HN 0.0058 -0.0017 0.0054 234 LEU 14 CA 0.0058 -0.0023 0.0050 235 LEU 14 HA 0.0062 -0.0025 0.0050 236 LEU 14 CB 0.0056 -0.0029 0.0047 237 LEU 14 HB1 0.0054 -0.0032 0.0044 238 LEU 14 HB2 0.0051 -0.0027 0.0047 239 LEU 14 CG 0.0062 -0.0031 0.0047 240 LEU 14 HG 0.0063 -0.0028 0.0049 241 LEU 14 CD1 0.0059 -0.0037 0.0043 242 LEU 14 HD11 0.0058 -0.0041 0.0041 243 LEU 14 HD12 0.0064 -0.0039 0.0043 244 LEU 14 HD13 0.0055 -0.0035 0.0043 245 LEU 14 CD2 0.0068 -0.0034 0.0047 246 LEU 14 HD21 0.0071 -0.0030 0.0050 247 LEU 14 HD22 0.0073 -0.0036 0.0047 248 LEU 14 HD23 0.0067 -0.0037 0.0045 249 LEU 14 C 0.0051 -0.0020 0.0050 250 LEU 14 O 0.0046 -0.0017 0.0051 251 SER 15 N 0.0041 0.0024 0.0010 252 SER 15 HN 0.0051 0.0018 0.0008 253 SER 15 CA 0.0040 0.0025 0.0011 254 SER 15 HA 0.0028 0.0030 0.0008 255 SER 15 CB 0.0046 0.0026 0.0028 256 SER 15 HB1 0.0047 0.0026 0.0028 257 SER 15 HB2 0.0057 0.0021 0.0032 258 SER 15 OG 0.0035 0.0034 0.0039 259 SER 15 HG1 0.0031 0.0035 0.0036 260 SER 15 C 0.0049 0.0017 -0.0001 261 SER 15 O 0.0060 0.0010 -0.0007 262 ALA 16 N 0.0085 0.0025 -0.0067 263 ALA 16 HN 0.0080 0.0035 -0.0068 264 ALA 16 CA 0.0073 0.0014 -0.0071 265 ALA 16 HA 0.0079 0.0002 -0.0069 266 ALA 16 CB 0.0061 0.0008 -0.0075 267 ALA 16 HB1 0.0069 0.0002 -0.0073 268 ALA 16 HB2 0.0055 0.0019 -0.0077 269 ALA 16 HB3 0.0053 -0.0002 -0.0078 270 ALA 16 C 0.0063 0.0022 -0.0074 271 ALA 16 O 0.0058 0.0036 -0.0075 272 GLU 17 N 0.0025 0.0074 -0.0119 273 GLU 17 HN 0.0030 0.0055 -0.0112 274 GLU 17 CA 0.0013 0.0069 -0.0133 275 GLU 17 HA 0.0003 0.0088 -0.0146 276 GLU 17 CB 0.0025 0.0063 -0.0118 277 GLU 17 HB1 0.0015 0.0050 -0.0128 278 GLU 17 HB2 0.0038 0.0048 -0.0102 279 GLU 17 CG 0.0035 0.0093 -0.0110 280 GLU 17 HG1 0.0046 0.0106 -0.0099 281 GLU 17 HG2 0.0023 0.0108 -0.0126 282 GLU 17 CD 0.0046 0.0083 -0.0096 283 GLU 17 OE1 0.0063 0.0098 -0.0079 284 GLU 17 OE2 0.0040 0.0058 -0.0101 285 GLU 17 C -0.0001 0.0039 -0.0146 286 GLU 17 O 0.0006 0.0014 -0.0135 287 GLY 18 N -0.0018 -0.0001 -0.0281 288 GLY 18 HN 0.0006 0.0003 -0.0322 289 GLY 18 CA -0.0065 -0.0007 -0.0247 290 GLY 18 HA1 -0.0115 -0.0010 -0.0252 291 GLY 18 HA2 -0.0061 -0.0005 -0.0270 292 GLY 18 C -0.0051 -0.0010 -0.0172 293 GLY 18 O -0.0004 -0.0007 -0.0153 294 GLU 19 N -0.0038 0.0055 -0.0196 295 GLU 19 HN -0.0098 0.0164 -0.0297 296 GLU 19 CA -0.0035 0.0065 -0.0103 297 GLU 19 HA 0.0024 -0.0036 0.0031 298 GLU 19 CB -0.0129 0.0280 -0.0015 299 GLU 19 HB1 -0.0126 0.0287 0.0051 300 GLU 19 HB2 -0.0190 0.0386 -0.0151 301 GLU 19 CG -0.0148 0.0354 0.0174 302 GLU 19 HG1 -0.0154 0.0357 0.0122 303 GLU 19 HG2 -0.0090 0.0255 0.0316 304 GLU 19 CD -0.0240 0.0565 0.0258 305 GLU 19 OE1 -0.0261 0.0611 0.0274 306 GLU 19 OE2 -0.0291 0.0682 0.0307 307 GLU 19 C -0.0023 0.0010 -0.0271 308 GLU 19 O -0.0033 0.0040 -0.0226 309 ALA 20 N 0.0026 0.0041 -0.0086 310 ALA 20 HN 0.0025 0.0051 -0.0096 311 ALA 20 CA 0.0043 0.0036 -0.0087 312 ALA 20 HA 0.0046 0.0024 -0.0076 313 ALA 20 CB 0.0038 0.0042 -0.0092 314 ALA 20 HB1 0.0050 0.0038 -0.0092 315 ALA 20 HB2 0.0024 0.0040 -0.0084 316 ALA 20 HB3 0.0035 0.0055 -0.0104 317 ALA 20 C 0.0062 0.0039 -0.0098 318 ALA 20 O 0.0063 0.0047 -0.0106 319 VAL 21 N 0.0087 0.0004 -0.0024 320 VAL 21 HN 0.0089 -0.0000 -0.0024 321 VAL 21 CA 0.0092 0.0005 -0.0025 322 VAL 21 HA 0.0090 0.0010 -0.0025 323 VAL 21 CB 0.0094 -0.0002 -0.0025 324 VAL 21 HB 0.0097 -0.0006 -0.0026 325 VAL 21 CG1 0.0099 0.0001 -0.0027 326 VAL 21 HG11 0.0104 0.0003 -0.0028 327 VAL 21 HG12 0.0096 0.0005 -0.0026 328 VAL 21 HG13 0.0100 -0.0005 -0.0027 329 VAL 21 CG2 0.0086 -0.0005 -0.0023 330 VAL 21 HG21 0.0088 -0.0010 -0.0023 331 VAL 21 HG22 0.0083 -0.0001 -0.0023 332 VAL 21 HG23 0.0083 -0.0007 -0.0022 333 VAL 21 C 0.0100 0.0008 -0.0027 334 VAL 21 O 0.0102 0.0005 -0.0028 335 LYS 22 N 0.0078 0.0030 -0.0011 336 LYS 22 HN 0.0074 0.0035 -0.0010 337 LYS 22 CA 0.0087 0.0031 -0.0007 338 LYS 22 HA 0.0092 0.0025 -0.0008 339 LYS 22 CB 0.0088 0.0036 -0.0005 340 LYS 22 HB1 0.0085 0.0031 -0.0008 341 LYS 22 HB2 0.0095 0.0036 -0.0003 342 LYS 22 CG 0.0083 0.0045 -0.0004 343 LYS 22 HG1 0.0087 0.0050 -0.0000 344 LYS 22 HG2 0.0077 0.0046 -0.0005 345 LYS 22 CD 0.0079 0.0047 -0.0004 346 LYS 22 HD1 0.0074 0.0053 -0.0004 347 LYS 22 HD2 0.0074 0.0042 -0.0008 348 LYS 22 CE 0.0085 0.0048 -0.0002 349 LYS 22 HE1 0.0089 0.0041 -0.0003 350 LYS 22 HE2 0.0090 0.0052 0.0002 351 LYS 22 NZ 0.0080 0.0051 -0.0002 352 LYS 22 HZ1 0.0084 0.0053 0.0000 353 LYS 22 HZ2 0.0076 0.0048 -0.0005 354 LYS 22 HZ3 0.0076 0.0057 -0.0001 355 LYS 22 C 0.0090 0.0037 -0.0004 356 LYS 22 O 0.0085 0.0042 -0.0004 357 THR 23 N 0.0043 -0.0002 0.0054 358 THR 23 HN 0.0047 -0.0001 0.0051 359 THR 23 CA 0.0042 -0.0003 0.0055 360 THR 23 HA 0.0036 -0.0006 0.0056 361 THR 23 CB 0.0046 -0.0004 0.0048 362 THR 23 HB 0.0052 -0.0001 0.0047 363 THR 23 OG1 0.0044 -0.0009 0.0042 364 THR 23 HG1 0.0048 -0.0009 0.0037 365 THR 23 CG2 0.0045 -0.0005 0.0048 366 THR 23 HG21 0.0048 -0.0006 0.0043 367 THR 23 HG22 0.0047 -0.0000 0.0053 368 THR 23 HG23 0.0039 -0.0008 0.0050 369 THR 23 C 0.0044 0.0003 0.0061 370 THR 23 O 0.0049 0.0007 0.0063 371 HIS 24 N -0.0007 0.0018 0.0085 372 HIS 24 HN 0.0001 0.0006 0.0087 373 HIS 24 CA -0.0011 0.0044 0.0075 374 HIS 24 HA -0.0015 0.0055 0.0072 375 HIS 24 CB -0.0032 0.0049 0.0085 376 HIS 24 HB1 -0.0029 0.0036 0.0089 377 HIS 24 HB2 -0.0048 0.0045 0.0096 378 HIS 24 CD2 -0.0049 0.0083 0.0078 379 HIS 24 HD2 -0.0053 0.0073 0.0085 380 HIS 24 CG -0.0040 0.0074 0.0077 381 HIS 24 NE2 -0.0054 0.0107 0.0068 382 HIS 24 HE2 -0.0063 0.0119 0.0068 383 HIS 24 ND1 -0.0038 0.0093 0.0067 384 HIS 24 HD1 -0.0032 0.0093 0.0063 385 HIS 24 CE1 -0.0047 0.0113 0.0062 386 HIS 24 HE1 -0.0049 0.0132 0.0054 387 HIS 24 C 0.0010 0.0050 0.0060 388 HIS 24 O 0.0022 0.0036 0.0060 389 HIS 25 N -0.0056 0.0097 0.0018 390 HIS 25 HN -0.0073 0.0135 0.0023 391 HIS 25 CA -0.0039 0.0082 -0.0033 392 HIS 25 HA -0.0023 0.0054 -0.0049 393 HIS 25 CB -0.0049 0.0129 -0.0075 394 HIS 25 HB1 -0.0052 0.0142 -0.0088 395 HIS 25 HB2 -0.0036 0.0118 -0.0112 396 HIS 25 CD2 -0.0079 0.0192 -0.0060 397 HIS 25 HD2 -0.0067 0.0175 -0.0079 398 HIS 25 CG -0.0073 0.0175 -0.0054 399 HIS 25 NE2 -0.0103 0.0237 -0.0034 400 HIS 25 HE2 -0.0113 0.0259 -0.0030 401 HIS 25 ND1 -0.0093 0.0209 -0.0026 402 HIS 25 HD1 -0.0094 0.0206 -0.0016 403 HIS 25 CE1 -0.0111 0.0245 -0.0014 404 HIS 25 HE1 -0.0130 0.0278 0.0009 405 HIS 25 C -0.0031 0.0058 -0.0023 406 HIS 25 O -0.0011 0.0029 -0.0055 407 GLY 26 N -0.0109 0.0087 0.0046 408 GLY 26 HN -0.0104 0.0098 0.0050 409 GLY 26 CA -0.0100 0.0070 0.0052 410 GLY 26 HA1 -0.0100 0.0065 0.0052 411 GLY 26 HA2 -0.0089 0.0074 0.0061 412 GLY 26 C -0.0104 0.0055 0.0048 413 GLY 26 O -0.0111 0.0058 0.0043 414 HIS 27 N -0.0135 -0.0006 0.0053 415 HIS 27 HN -0.0152 -0.0055 0.0072 416 HIS 27 CA -0.0140 -0.0021 0.0081 417 HIS 27 HA -0.0166 -0.0093 0.0077 418 HIS 27 CB -0.0124 0.0023 0.0020 419 HIS 27 HB1 -0.0131 0.0004 0.0047 420 HIS 27 HB2 -0.0098 0.0097 0.0022 421 HIS 27 CD2 -0.0121 0.0039 -0.0162 422 HIS 27 HD2 -0.0096 0.0110 -0.0172 423 HIS 27 CG -0.0137 -0.0007 -0.0081 424 HIS 27 NE2 -0.0145 -0.0022 -0.0234 425 HIS 27 HE2 -0.0142 -0.0011 -0.0303 426 HIS 27 ND1 -0.0170 -0.0097 -0.0101 427 HIS 27 HD1 -0.0187 -0.0147 -0.0055 428 HIS 27 CE1 -0.0173 -0.0103 -0.0194 429 HIS 27 HE1 -0.0197 -0.0166 -0.0233 430 HIS 27 C -0.0129 0.0005 0.0184 431 HIS 27 O -0.0103 0.0074 0.0209 432 HIS 28 N -0.0225 0.0108 0.0017 433 HIS 28 HN -0.0261 0.0185 0.0071 434 HIS 28 CA -0.0196 0.0082 -0.0098 435 HIS 28 HA -0.0223 0.0160 -0.0096 436 HIS 28 CB -0.0154 -0.0047 -0.0081 437 HIS 28 HB1 -0.0174 -0.0038 0.0009 438 HIS 28 HB2 -0.0136 -0.0054 -0.0172 439 HIS 28 CD2 -0.0102 -0.0268 0.0048 440 HIS 28 HD2 -0.0121 -0.0262 0.0143 441 HIS 28 CG -0.0114 -0.0177 -0.0060 442 HIS 28 NE2 -0.0060 -0.0379 0.0026 443 HIS 28 HE2 -0.0043 -0.0459 0.0089 444 HIS 28 ND1 -0.0077 -0.0235 -0.0153 445 HIS 28 HD1 -0.0074 -0.0197 -0.0245 446 HIS 28 CE1 -0.0047 -0.0354 -0.0096 447 HIS 28 HE1 -0.0016 -0.0418 -0.0145 448 HIS 28 C -0.0176 0.0099 -0.0244 449 HIS 28 O -0.0171 0.0135 -0.0339 450 ASP 29 N -0.0102 0.0091 -0.0068 451 ASP 29 HN -0.0112 0.0089 -0.0059 452 ASP 29 CA -0.0086 0.0106 -0.0086 453 ASP 29 HA -0.0070 0.0093 -0.0093 454 ASP 29 CB -0.0086 0.0112 -0.0087 455 ASP 29 HB1 -0.0074 0.0122 -0.0101 456 ASP 29 HB2 -0.0103 0.0123 -0.0079 457 ASP 29 CG -0.0082 0.0087 -0.0082 458 ASP 29 OD1 -0.0087 0.0089 -0.0078 459 ASP 29 OD2 -0.0072 0.0067 -0.0081 460 ASP 29 C -0.0088 0.0129 -0.0094 461 ASP 29 O -0.0105 0.0143 -0.0085 462 HIS 30 N -0.0065 0.0106 -0.0056 463 HIS 30 HN -0.0013 0.0103 -0.0044 464 HIS 30 CA -0.0082 0.0123 -0.0072 465 HIS 30 HA -0.0137 0.0107 -0.0069 466 HIS 30 CB -0.0030 0.0099 -0.0044 467 HIS 30 HB1 -0.0045 0.0110 -0.0056 468 HIS 30 HB2 0.0027 0.0117 -0.0049 469 HIS 30 CD2 0.0021 -0.0000 0.0042 470 HIS 30 HD2 0.0077 0.0012 0.0042 471 HIS 30 CG -0.0032 0.0034 0.0006 472 HIS 30 NE2 -0.0010 -0.0057 0.0081 473 HIS 30 HE2 0.0014 -0.0093 0.0113 474 HIS 30 ND1 -0.0095 -0.0001 0.0022 475 HIS 30 HD1 -0.0142 0.0013 0.0003 476 HIS 30 CE1 -0.0080 -0.0055 0.0067 477 HIS 30 HE1 -0.0118 -0.0093 0.0090 478 HIS 30 C -0.0073 0.0189 -0.0122 479 HIS 30 O -0.0025 0.0220 -0.0138 480 HIS 31 N -0.0001 0.0044 0.0044 481 HIS 31 HN 0.0001 0.0051 0.0044 482 HIS 31 CA -0.0001 0.0041 0.0051 483 HIS 31 HA -0.0002 0.0034 0.0055 484 HIS 31 CB 0.0004 0.0048 0.0059 485 HIS 31 HB1 0.0005 0.0046 0.0064 486 HIS 31 HB2 0.0006 0.0056 0.0055 487 HIS 31 CD2 0.0008 0.0054 0.0065 488 HIS 31 HD2 0.0008 0.0059 0.0059 489 HIS 31 CG 0.0006 0.0048 0.0066 490 HIS 31 NE2 0.0010 0.0052 0.0074 491 HIS 31 HE2 0.0011 0.0054 0.0076 492 HIS 31 ND1 0.0007 0.0043 0.0075 493 HIS 31 HD1 0.0006 0.0038 0.0078 494 HIS 31 CE1 0.0009 0.0045 0.0080 495 HIS 31 HE1 0.0010 0.0042 0.0088 496 HIS 31 C -0.0002 0.0039 0.0046 497 HIS 31 O -0.0003 0.0044 0.0038 498 THR 32 N 0.0023 0.0026 0.0010 499 THR 32 HN 0.0031 0.0020 0.0019 500 THR 32 CA 0.0018 0.0023 -0.0006 501 THR 32 HA 0.0013 0.0023 -0.0016 502 THR 32 CB 0.0026 0.0007 -0.0009 503 THR 32 HB 0.0031 0.0006 0.0001 504 THR 32 OG1 0.0033 -0.0006 -0.0010 505 THR 32 HG1 0.0034 -0.0001 -0.0002 506 THR 32 CG2 0.0021 0.0003 -0.0026 507 THR 32 HG21 0.0027 -0.0009 -0.0028 508 THR 32 HG22 0.0015 0.0012 -0.0027 509 THR 32 HG23 0.0016 0.0003 -0.0037 510 THR 32 C 0.0011 0.0036 -0.0006 511 THR 32 O 0.0014 0.0039 0.0006 512 HIS 33 N 0.0011 0.0040 -0.0019 513 HIS 33 HN 0.0014 0.0032 -0.0038 514 HIS 33 CA 0.0001 0.0068 -0.0022 515 HIS 33 HA -0.0002 0.0075 0.0001 516 HIS 33 CB -0.0009 0.0092 -0.0035 517 HIS 33 HB1 -0.0017 0.0113 -0.0038 518 HIS 33 HB2 -0.0007 0.0085 -0.0058 519 HIS 33 CD2 -0.0005 0.0087 0.0014 520 HIS 33 HD2 0.0001 0.0072 0.0029 521 HIS 33 CG -0.0011 0.0098 -0.0014 522 HIS 33 NE2 -0.0010 0.0099 0.0021 523 HIS 33 HE2 -0.0008 0.0094 0.0040 524 HIS 33 ND1 -0.0018 0.0116 -0.0025 525 HIS 33 HD1 -0.0023 0.0128 -0.0045 526 HIS 33 CE1 -0.0017 0.0116 -0.0003 527 HIS 33 HE1 -0.0022 0.0128 -0.0004 528 HIS 33 C 0.0002 0.0064 -0.0042 529 HIS 33 O 0.0005 0.0052 -0.0069 530 PHE 34 N 0.0015 0.0052 -0.0017 531 PHE 34 HN 0.0019 0.0058 -0.0005 532 PHE 34 CA 0.0014 0.0040 -0.0027 533 PHE 34 HA 0.0012 0.0029 -0.0037 534 PHE 34 CB 0.0025 0.0029 -0.0015 535 PHE 34 HB1 0.0023 0.0022 -0.0022 536 PHE 34 HB2 0.0027 0.0040 -0.0003 537 PHE 34 CG 0.0034 0.0014 -0.0008 538 PHE 34 CD1 0.0035 -0.0003 -0.0019 539 PHE 34 HD1 0.0027 -0.0005 -0.0033 540 PHE 34 CE1 0.0044 -0.0018 -0.0012 541 PHE 34 HE1 0.0044 -0.0031 -0.0021 542 PHE 34 CZ 0.0054 -0.0015 0.0006 543 PHE 34 HZ 0.0061 -0.0026 0.0011 544 PHE 34 CD2 0.0044 0.0017 0.0010 545 PHE 34 HD2 0.0044 0.0030 0.0019 546 PHE 34 CE2 0.0054 0.0002 0.0017 547 PHE 34 HE2 0.0061 0.0004 0.0031 548 PHE 34 C 0.0003 0.0052 -0.0037 549 PHE 34 O 0.0002 0.0067 -0.0029 550 HIS 35 N -0.0035 0.0073 -0.0057 551 HIS 35 HN -0.0042 0.0039 -0.0071 552 HIS 35 CA -0.0043 0.0104 -0.0083 553 HIS 35 HA -0.0035 0.0140 -0.0067 554 HIS 35 CB -0.0064 0.0111 -0.0134 555 HIS 35 HB1 -0.0072 0.0129 -0.0155 556 HIS 35 HB2 -0.0073 0.0073 -0.0149 557 HIS 35 CD2 -0.0064 0.0129 -0.0136 558 HIS 35 HD2 -0.0064 0.0091 -0.0131 559 HIS 35 CG -0.0064 0.0142 -0.0138 560 HIS 35 NE2 -0.0065 0.0170 -0.0143 561 HIS 35 HE2 -0.0065 0.0171 -0.0143 562 HIS 35 ND1 -0.0065 0.0194 -0.0147 563 HIS 35 HD1 -0.0066 0.0215 -0.0152 564 HIS 35 CE1 -0.0066 0.0208 -0.0150 565 HIS 35 HE1 -0.0066 0.0247 -0.0157 566 HIS 35 C -0.0043 0.0080 -0.0079 567 HIS 35 O -0.0051 0.0036 -0.0091 568 VAL 36 N -0.0041 0.0051 -0.0086 569 VAL 36 HN -0.0025 0.0072 -0.0087 570 VAL 36 CA -0.0038 0.0025 -0.0066 571 VAL 36 HA -0.0047 0.0002 -0.0058 572 VAL 36 CB -0.0004 0.0030 -0.0045 573 VAL 36 HB 0.0006 0.0053 -0.0052 574 VAL 36 CG1 -0.0002 0.0003 -0.0025 575 VAL 36 HG11 -0.0012 0.0003 -0.0033 576 VAL 36 HG12 -0.0013 -0.0021 -0.0018 577 VAL 36 HG13 0.0023 0.0006 -0.0008 578 VAL 36 CG2 0.0014 0.0030 -0.0032 579 VAL 36 HG21 0.0005 0.0007 -0.0023 580 VAL 36 HG22 0.0012 0.0050 -0.0045 581 VAL 36 HG23 0.0038 0.0035 -0.0016 582 VAL 36 C -0.0057 0.0023 -0.0079 583 VAL 36 O -0.0052 0.0047 -0.0091 584 GLU 37 N -0.0073 0.0034 -0.0072 585 GLU 37 HN -0.0080 0.0012 -0.0060 586 GLU 37 CA -0.0103 0.0025 -0.0080 587 GLU 37 HA -0.0095 0.0051 -0.0093 588 GLU 37 CB -0.0153 0.0018 -0.0100 589 GLU 37 HB1 -0.0163 -0.0011 -0.0086 590 GLU 37 HB2 -0.0155 0.0046 -0.0119 591 GLU 37 CG -0.0187 0.0015 -0.0114 592 GLU 37 HG1 -0.0176 0.0042 -0.0127 593 GLU 37 HG2 -0.0189 -0.0015 -0.0096 594 GLU 37 CD -0.0234 0.0015 -0.0138 595 GLU 37 OE1 -0.0258 -0.0018 -0.0128 596 GLU 37 OE2 -0.0246 0.0049 -0.0166 597 GLU 37 C -0.0095 -0.0014 -0.0051 598 GLU 37 O -0.0091 -0.0046 -0.0028 599 ASN 38 N -0.0075 -0.0140 0.0018 600 ASN 38 HN -0.0046 -0.0208 0.0053 601 ASN 38 CA -0.0070 -0.0121 0.0047 602 ASN 38 HA -0.0107 -0.0080 -0.0027 603 ASN 38 CB -0.0037 -0.0244 0.0052 604 ASN 38 HB1 -0.0061 -0.0286 -0.0039 605 ASN 38 HB2 -0.0028 -0.0227 0.0089 606 ASN 38 CG 0.0013 -0.0332 0.0127 607 ASN 38 OD1 0.0047 -0.0311 0.0233 608 ASN 38 ND2 0.0017 -0.0438 0.0071 609 ASN 38 HD21 0.0051 -0.0496 0.0121 610 ASN 38 HD22 -0.0010 -0.0457 -0.0015 611 ASN 38 C -0.0052 -0.0031 0.0153 612 ASN 38 O -0.0024 -0.0018 0.0236 613 HIS 39 N -0.0056 0.0018 0.0060 614 HIS 39 HN -0.0041 0.0023 0.0090 615 HIS 39 CA -0.0088 -0.0008 0.0074 616 HIS 39 HA -0.0087 -0.0003 0.0049 617 HIS 39 CB -0.0135 -0.0041 0.0066 618 HIS 39 HB1 -0.0158 -0.0061 0.0086 619 HIS 39 HB2 -0.0135 -0.0044 0.0084 620 HIS 39 CD2 -0.0155 -0.0039 -0.0025 621 HIS 39 HD2 -0.0140 -0.0030 -0.0020 622 HIS 39 CG -0.0154 -0.0044 0.0009 623 HIS 39 NE2 -0.0177 -0.0047 -0.0071 624 HIS 39 HE2 -0.0180 -0.0043 -0.0107 625 HIS 39 ND1 -0.0176 -0.0056 -0.0014 626 HIS 39 HD1 -0.0180 -0.0062 0.0002 627 HIS 39 CE1 -0.0189 -0.0057 -0.0062 628 HIS 39 HE1 -0.0207 -0.0065 -0.0093 629 HIS 39 C -0.0077 -0.0010 0.0131 630 HIS 39 O -0.0106 -0.0036 0.0161 631 GLY 40 N 0.0030 -0.0016 0.0283 632 GLY 40 HN 0.0064 -0.0113 0.0273 633 GLY 40 CA -0.0002 0.0069 0.0290 634 GLY 40 HA1 -0.0001 0.0174 0.0328 635 GLY 40 HA2 0.0058 0.0028 0.0321 636 GLY 40 C -0.0120 0.0061 0.0197 637 GLY 40 O -0.0152 -0.0047 0.0134 638 GLY 41 N -0.0384 0.0435 -0.0239 639 GLY 41 HN -0.0271 0.0472 -0.0406 640 GLY 41 CA -0.0502 0.0449 -0.0200 641 GLY 41 HA1 -0.0459 0.0507 -0.0377 642 GLY 41 HA2 -0.0716 0.0484 -0.0152 643 GLY 41 C -0.0404 0.0342 0.0016 644 GLY 41 O -0.0540 0.0341 0.0107 645 LYS 42 N -0.0062 -0.0034 0.0193 646 LYS 42 HN -0.0075 -0.0036 0.0189 647 LYS 42 CA -0.0056 -0.0025 0.0193 648 LYS 42 HA -0.0043 -0.0020 0.0196 649 LYS 42 CB -0.0055 -0.0037 0.0195 650 LYS 42 HB1 -0.0054 -0.0029 0.0194 651 LYS 42 HB2 -0.0067 -0.0045 0.0193 652 LYS 42 CG -0.0039 -0.0049 0.0201 653 LYS 42 HG1 -0.0040 -0.0057 0.0203 654 LYS 42 HG2 -0.0028 -0.0040 0.0203 655 LYS 42 CD -0.0037 -0.0059 0.0204 656 LYS 42 HD1 -0.0024 -0.0065 0.0208 657 LYS 42 HD2 -0.0037 -0.0050 0.0202 658 LYS 42 CE -0.0050 -0.0074 0.0202 659 LYS 42 HE1 -0.0048 -0.0081 0.0204 660 LYS 42 HE2 -0.0064 -0.0069 0.0198 661 LYS 42 NZ -0.0050 -0.0088 0.0205 662 LYS 42 HZ1 -0.0058 -0.0099 0.0204 663 LYS 42 HZ2 -0.0037 -0.0092 0.0209 664 LYS 42 HZ3 -0.0053 -0.0083 0.0203 665 LYS 42 C -0.0066 -0.0009 0.0187 666 LYS 42 O -0.0082 -0.0009 0.0183 667 VAL 43 N -0.0077 -0.0057 0.0095 668 VAL 43 HN -0.0069 -0.0056 0.0090 669 VAL 43 CA -0.0082 -0.0047 0.0094 670 VAL 43 HA -0.0088 -0.0050 0.0099 671 VAL 43 CB -0.0074 -0.0042 0.0088 672 VAL 43 HB -0.0078 -0.0035 0.0088 673 VAL 43 CG1 -0.0067 -0.0052 0.0088 674 VAL 43 HG11 -0.0062 -0.0048 0.0083 675 VAL 43 HG12 -0.0073 -0.0057 0.0093 676 VAL 43 HG13 -0.0062 -0.0059 0.0087 677 VAL 43 CG2 -0.0065 -0.0035 0.0080 678 VAL 43 HG21 -0.0059 -0.0032 0.0076 679 VAL 43 HG22 -0.0061 -0.0041 0.0080 680 VAL 43 HG23 -0.0070 -0.0027 0.0080 681 VAL 43 C -0.0088 -0.0037 0.0095 682 VAL 43 O -0.0087 -0.0036 0.0093 683 ALA 44 N -0.0074 -0.0019 0.0018 684 ALA 44 HN -0.0073 -0.0007 0.0011 685 ALA 44 CA -0.0087 -0.0026 0.0011 686 ALA 44 HA -0.0087 -0.0039 0.0021 687 ALA 44 CB -0.0105 -0.0031 -0.0004 688 ALA 44 HB1 -0.0108 -0.0043 0.0002 689 ALA 44 HB2 -0.0106 -0.0018 -0.0014 690 ALA 44 HB3 -0.0115 -0.0038 -0.0009 691 ALA 44 C -0.0082 -0.0010 0.0004 692 ALA 44 O -0.0075 0.0007 -0.0002 693 LEU 45 N -0.0035 -0.0028 -0.0006 694 LEU 45 HN -0.0036 -0.0043 -0.0004 695 LEU 45 CA -0.0028 -0.0010 -0.0002 696 LEU 45 HA -0.0026 0.0005 -0.0002 697 LEU 45 CB -0.0011 -0.0017 0.0013 698 LEU 45 HB1 -0.0006 -0.0004 0.0016 699 LEU 45 HB2 -0.0013 -0.0033 0.0014 700 LEU 45 CG 0.0003 -0.0019 0.0026 701 LEU 45 HG -0.0001 -0.0032 0.0024 702 LEU 45 CD1 0.0019 -0.0028 0.0040 703 LEU 45 HD11 0.0029 -0.0030 0.0049 704 LEU 45 HD12 0.0015 -0.0044 0.0039 705 LEU 45 HD13 0.0024 -0.0016 0.0043 706 LEU 45 CD2 0.0008 0.0002 0.0027 707 LEU 45 HD21 0.0007 0.0017 0.0024 708 LEU 45 HD22 0.0000 0.0004 0.0020 709 LEU 45 HD23 0.0022 0.0003 0.0038 710 LEU 45 C -0.0040 -0.0008 -0.0013 711 LEU 45 O -0.0045 -0.0023 -0.0015 712 LYS 46 N -0.0037 -0.0020 -0.0066 713 LYS 46 HN -0.0040 0.0010 -0.0060 714 LYS 46 CA -0.0053 -0.0014 -0.0081 715 LYS 46 HA -0.0042 -0.0046 -0.0079 716 LYS 46 CB -0.0095 -0.0010 -0.0120 717 LYS 46 HB1 -0.0101 -0.0040 -0.0134 718 LYS 46 HB2 -0.0105 -0.0016 -0.0131 719 LYS 46 CG -0.0118 0.0038 -0.0127 720 LYS 46 HG1 -0.0115 0.0069 -0.0115 721 LYS 46 HG2 -0.0107 0.0047 -0.0114 722 LYS 46 CD -0.0158 0.0035 -0.0167 723 LYS 46 HD1 -0.0160 0.0008 -0.0177 724 LYS 46 HD2 -0.0166 0.0020 -0.0179 725 LYS 46 CE -0.0185 0.0082 -0.0178 726 LYS 46 HE1 -0.0185 0.0109 -0.0170 727 LYS 46 HE2 -0.0177 0.0098 -0.0165 728 LYS 46 NZ -0.0222 0.0072 -0.0217 729 LYS 46 HZ1 -0.0223 0.0059 -0.0222 730 LYS 46 HZ2 -0.0242 0.0103 -0.0227 731 LYS 46 HZ3 -0.0226 0.0045 -0.0229 732 LYS 46 C -0.0043 0.0028 -0.0058 733 LYS 46 O -0.0034 0.0062 -0.0039 734 THR 47 N -0.0022 -0.0008 -0.0087 735 THR 47 HN -0.0020 -0.0024 -0.0097 736 THR 47 CA -0.0020 0.0004 -0.0073 737 THR 47 HA -0.0015 0.0013 -0.0056 738 THR 47 CB -0.0010 -0.0014 -0.0068 739 THR 47 HB -0.0008 -0.0004 -0.0055 740 THR 47 OG1 -0.0016 -0.0024 -0.0089 741 THR 47 HG1 -0.0009 -0.0036 -0.0084 742 THR 47 CG2 0.0003 -0.0035 -0.0058 743 THR 47 HG21 0.0001 -0.0046 -0.0071 744 THR 47 HG22 0.0011 -0.0047 -0.0053 745 THR 47 HG23 0.0008 -0.0028 -0.0042 746 THR 47 C -0.0034 0.0024 -0.0084 747 THR 47 O -0.0045 0.0027 -0.0105 748 HIS 48 N -0.0022 0.0027 -0.0113 749 HIS 48 HN -0.0010 0.0025 -0.0091 750 HIS 48 CA -0.0035 0.0053 -0.0128 751 HIS 48 HA -0.0043 0.0073 -0.0135 752 HIS 48 CB -0.0026 0.0070 -0.0104 753 HIS 48 HB1 -0.0018 0.0083 -0.0083 754 HIS 48 HB2 -0.0036 0.0091 -0.0115 755 HIS 48 CD2 -0.0016 0.0042 -0.0096 756 HIS 48 HD2 -0.0026 0.0057 -0.0110 757 HIS 48 CG -0.0014 0.0045 -0.0092 758 HIS 48 NE2 -0.0001 0.0015 -0.0079 759 HIS 48 HE2 0.0002 0.0007 -0.0076 760 HIS 48 ND1 0.0001 0.0020 -0.0072 761 HIS 48 HD1 0.0006 0.0016 -0.0065 762 HIS 48 CE1 0.0009 0.0002 -0.0065 763 HIS 48 HE1 0.0021 -0.0019 -0.0050 764 HIS 48 C -0.0048 0.0038 -0.0158 765 HIS 48 O -0.0063 0.0056 -0.0180 766 CYS 49 N 0.0010 -0.0037 -0.0122 767 CYS 49 HN 0.0003 -0.0042 -0.0108 768 CYS 49 CA 0.0026 -0.0052 -0.0143 769 CYS 49 HA 0.0031 -0.0051 -0.0153 770 CYS 49 CB 0.0028 -0.0083 -0.0134 771 CYS 49 HB1 0.0023 -0.0084 -0.0125 772 CYS 49 HB2 0.0021 -0.0090 -0.0119 773 CYS 49 SG 0.0048 -0.0106 -0.0158 774 CYS 49 HG1 0.0053 -0.0089 -0.0174 775 CYS 49 C 0.0033 -0.0039 -0.0160 776 CYS 49 O 0.0047 -0.0049 -0.0179 777 GLY 50 N -0.0053 -0.0018 -0.0090 778 GLY 50 HN -0.0034 -0.0012 -0.0087 779 GLY 50 CA -0.0064 -0.0043 -0.0088 780 GLY 50 HA1 -0.0085 -0.0040 -0.0093 781 GLY 50 HA2 -0.0051 -0.0047 -0.0084 782 GLY 50 C -0.0063 -0.0068 -0.0084 783 GLY 50 O -0.0078 -0.0088 -0.0083 784 LYS 51 N 0.0005 -0.0089 -0.0074 785 LYS 51 HN -0.0011 -0.0108 -0.0064 786 LYS 51 CA 0.0011 -0.0069 -0.0084 787 LYS 51 HA 0.0036 -0.0056 -0.0091 788 LYS 51 CB 0.0013 -0.0089 -0.0074 789 LYS 51 HB1 0.0020 -0.0073 -0.0082 790 LYS 51 HB2 -0.0014 -0.0100 -0.0069 791 LYS 51 CG 0.0040 -0.0117 -0.0061 792 LYS 51 HG1 0.0036 -0.0132 -0.0054 793 LYS 51 HG2 0.0036 -0.0132 -0.0054 794 LYS 51 CD 0.0079 -0.0105 -0.0068 795 LYS 51 HD1 0.0084 -0.0089 -0.0076 796 LYS 51 HD2 0.0083 -0.0091 -0.0075 797 LYS 51 CE 0.0106 -0.0133 -0.0055 798 LYS 51 HE1 0.0099 -0.0152 -0.0045 799 LYS 51 HE2 0.0106 -0.0144 -0.0050 800 LYS 51 NZ 0.0143 -0.0123 -0.0061 801 LYS 51 HZ1 0.0161 -0.0141 -0.0052 802 LYS 51 HZ2 0.0144 -0.0115 -0.0064 803 LYS 51 HZ3 0.0150 -0.0103 -0.0070 804 LYS 51 C -0.0020 -0.0045 -0.0095 805 LYS 51 O -0.0051 -0.0053 -0.0091 806 TYR 52 N -0.0033 -0.0057 -0.0056 807 TYR 52 HN -0.0029 -0.0067 -0.0069 808 TYR 52 CA -0.0036 -0.0066 -0.0072 809 TYR 52 HA -0.0050 -0.0051 -0.0061 810 TYR 52 CB -0.0053 -0.0079 -0.0109 811 TYR 52 HB1 -0.0049 -0.0089 -0.0122 812 TYR 52 HB2 -0.0043 -0.0091 -0.0121 813 TYR 52 CG -0.0091 -0.0063 -0.0114 814 TYR 52 CD1 -0.0105 -0.0052 -0.0109 815 TYR 52 HD1 -0.0088 -0.0055 -0.0100 816 TYR 52 CE1 -0.0140 -0.0037 -0.0114 817 TYR 52 HE1 -0.0151 -0.0029 -0.0109 818 TYR 52 CZ -0.0162 -0.0033 -0.0125 819 TYR 52 OH -0.0198 -0.0018 -0.0130 820 TYR 52 HH -0.0209 -0.0018 -0.0140 821 TYR 52 CD2 -0.0114 -0.0059 -0.0127 822 TYR 52 HD2 -0.0104 -0.0067 -0.0131 823 TYR 52 CE2 -0.0149 -0.0044 -0.0132 824 TYR 52 HE2 -0.0166 -0.0041 -0.0141 825 TYR 52 C -0.0001 -0.0081 -0.0069 826 TYR 52 O 0.0024 -0.0096 -0.0073 827 LEU 53 N 0.0027 -0.0054 -0.0003 828 LEU 53 HN 0.0036 -0.0048 -0.0003 829 LEU 53 CA 0.0031 -0.0062 0.0007 830 LEU 53 HA 0.0025 -0.0063 0.0003 831 LEU 53 CB 0.0048 -0.0056 0.0012 832 LEU 53 HB1 0.0050 -0.0064 0.0020 833 LEU 53 HB2 0.0055 -0.0054 0.0014 834 LEU 53 CG 0.0051 -0.0044 0.0004 835 LEU 53 HG 0.0043 -0.0047 0.0000 836 LEU 53 CD1 0.0051 -0.0032 -0.0007 837 LEU 53 HD11 0.0054 -0.0024 -0.0013 838 LEU 53 HD12 0.0040 -0.0033 -0.0013 839 LEU 53 HD13 0.0059 -0.0029 -0.0005 840 LEU 53 CD2 0.0066 -0.0042 0.0011 841 LEU 53 HD21 0.0066 -0.0050 0.0018 842 LEU 53 HD22 0.0068 -0.0033 0.0005 843 LEU 53 HD23 0.0075 -0.0039 0.0014 844 LEU 53 C 0.0027 -0.0076 0.0016 845 LEU 53 O 0.0030 -0.0078 0.0020 846 SER 54 N 0.0074 -0.0066 0.0062 847 SER 54 HN 0.0069 -0.0069 0.0058 848 SER 54 CA 0.0067 -0.0084 0.0076 849 SER 54 HA 0.0076 -0.0080 0.0084 850 SER 54 CB 0.0046 -0.0097 0.0061 851 SER 54 HB1 0.0037 -0.0102 0.0053 852 SER 54 HB2 0.0046 -0.0087 0.0047 853 SER 54 OG 0.0039 -0.0114 0.0074 854 SER 54 HG1 0.0045 -0.0109 0.0076 855 SER 54 C 0.0068 -0.0097 0.0094 856 SER 54 O 0.0066 -0.0096 0.0091 857 ILE 55 N 0.0073 -0.0045 0.0166 858 ILE 55 HN 0.0077 -0.0053 0.0179 859 ILE 55 CA 0.0068 -0.0042 0.0164 860 ILE 55 HA 0.0067 -0.0034 0.0148 861 ILE 55 CB 0.0083 -0.0052 0.0170 862 ILE 55 HB 0.0083 -0.0059 0.0187 863 ILE 55 CG2 0.0105 -0.0057 0.0161 864 ILE 55 HG21 0.0107 -0.0049 0.0144 865 ILE 55 HG22 0.0109 -0.0061 0.0167 866 ILE 55 HG23 0.0117 -0.0063 0.0164 867 ILE 55 CG1 0.0080 -0.0047 0.0164 868 ILE 55 HG11 0.0067 -0.0046 0.0174 869 ILE 55 HG12 0.0094 -0.0054 0.0166 870 ILE 55 CD 0.0076 -0.0035 0.0142 871 ILE 55 HD1 0.0061 -0.0028 0.0140 872 ILE 55 HD2 0.0088 -0.0035 0.0131 873 ILE 55 HD3 0.0075 -0.0033 0.0137 874 ILE 55 C 0.0046 -0.0038 0.0175 875 ILE 55 O 0.0038 -0.0035 0.0176 876 GLY 56 N 0.0031 -0.0130 0.0192 877 GLY 56 HN 0.0054 -0.0128 0.0182 878 GLY 56 CA 0.0007 -0.0134 0.0194 879 GLY 56 HA1 -0.0006 -0.0145 0.0171 880 GLY 56 HA2 0.0024 -0.0130 0.0196 881 GLY 56 C -0.0020 -0.0130 0.0223 882 GLY 56 O -0.0014 -0.0119 0.0252 883 ASP 57 N -0.0050 0.0016 0.0237 884 ASP 57 HN 0.0090 -0.0248 0.0194 885 ASP 57 CA -0.0156 0.0181 0.0270 886 ASP 57 HA -0.0148 0.0510 0.0264 887 ASP 57 CB 0.0134 0.0022 0.0177 888 ASP 57 HB1 0.0062 0.0139 0.0199 889 ASP 57 HB2 0.0129 -0.0316 0.0182 890 ASP 57 CG 0.0552 0.0147 0.0038 891 ASP 57 OD1 0.0620 0.0415 0.0013 892 ASP 57 OD2 0.0803 -0.0022 -0.0042 893 ASP 57 C -0.0561 0.0048 0.0405 894 ASP 57 O -0.0671 0.0093 0.0440 895 HIS 58 N -0.0289 0.0007 0.0378 896 HIS 58 HN -0.0273 -0.0021 0.0380 897 HIS 58 CA -0.0247 0.0064 0.0309 898 HIS 58 HA -0.0239 0.0051 0.0309 899 HIS 58 CB -0.0296 0.0166 0.0295 900 HIS 58 HB1 -0.0315 0.0178 0.0304 901 HIS 58 HB2 -0.0350 0.0180 0.0334 902 HIS 58 CD2 -0.0251 0.0306 0.0176 903 HIS 58 HD2 -0.0271 0.0327 0.0182 904 HIS 58 CG -0.0258 0.0236 0.0222 905 HIS 58 NE2 -0.0214 0.0350 0.0118 906 HIS 58 HE2 -0.0203 0.0408 0.0076 907 HIS 58 ND1 -0.0225 0.0234 0.0193 908 HIS 58 HD1 -0.0221 0.0191 0.0215 909 HIS 58 CE1 -0.0199 0.0304 0.0131 910 HIS 58 HE1 -0.0171 0.0325 0.0095 911 HIS 58 C -0.0165 0.0045 0.0248 912 HIS 58 O -0.0141 -0.0007 0.0256 913 LYS 59 N -0.0064 0.0149 0.0192 914 LYS 59 HN -0.0102 0.0201 0.0186 915 LYS 59 CA -0.0010 0.0115 0.0116 916 LYS 59 HA 0.0022 0.0061 0.0140 917 LYS 59 CB -0.0020 0.0162 0.0048 918 LYS 59 HB1 0.0020 0.0137 -0.0012 919 LYS 59 HB2 -0.0055 0.0218 0.0026 920 LYS 59 CG -0.0037 0.0168 0.0081 921 LYS 59 HG1 -0.0040 0.0198 0.0025 922 LYS 59 HG2 -0.0083 0.0204 0.0130 923 LYS 59 CD 0.0003 0.0094 0.0125 924 LYS 59 HD1 -0.0011 0.0105 0.0140 925 LYS 59 HD2 -0.0006 0.0074 0.0189 926 LYS 59 CE 0.0070 0.0031 0.0074 927 LYS 59 HE1 0.0094 -0.0018 0.0111 928 LYS 59 HE2 0.0086 0.0014 0.0066 929 LYS 59 NZ 0.0086 0.0053 -0.0014 930 LYS 59 HZ1 0.0069 0.0073 -0.0010 931 LYS 59 HZ2 0.0068 0.0094 -0.0052 932 LYS 59 HZ3 0.0132 0.0008 -0.0044 933 LYS 59 C 0.0019 0.0101 0.0068 934 LYS 59 O 0.0073 0.0046 0.0034 935 GLN 60 N 0.0015 0.0095 0.0052 936 GLN 60 HN -0.0009 0.0115 0.0068 937 GLN 60 CA 0.0026 0.0096 0.0029 938 GLN 60 HA 0.0051 0.0081 0.0004 939 GLN 60 CB 0.0003 0.0139 0.0008 940 GLN 60 HB1 0.0014 0.0138 -0.0011 941 GLN 60 HB2 -0.0022 0.0153 0.0035 942 GLN 60 CG -0.0002 0.0166 -0.0024 943 GLN 60 HG1 -0.0014 0.0194 -0.0044 944 GLN 60 HG2 -0.0020 0.0175 -0.0004 945 GLN 60 CD 0.0029 0.0147 -0.0055 946 GLN 60 OE1 0.0034 0.0135 -0.0047 947 GLN 60 NE2 0.0050 0.0145 -0.0093 948 GLN 60 HE21 0.0046 0.0152 -0.0097 949 GLN 60 HE22 0.0069 0.0135 -0.0115 950 GLN 60 C 0.0026 0.0074 0.0063 951 GLN 60 O 0.0004 0.0077 0.0101 952 VAL 61 N 0.0075 -0.0002 0.0027 953 VAL 61 HN 0.0082 -0.0001 0.0015 954 VAL 61 CA 0.0082 -0.0009 0.0035 955 VAL 61 HA 0.0083 -0.0016 0.0051 956 VAL 61 CB 0.0102 -0.0016 0.0024 957 VAL 61 HB 0.0102 -0.0009 0.0008 958 VAL 61 CG1 0.0110 -0.0023 0.0031 959 VAL 61 HG11 0.0110 -0.0030 0.0047 960 VAL 61 HG12 0.0125 -0.0028 0.0023 961 VAL 61 HG13 0.0102 -0.0017 0.0027 962 VAL 61 CG2 0.0116 -0.0024 0.0027 963 VAL 61 HG21 0.0130 -0.0029 0.0019 964 VAL 61 HG22 0.0116 -0.0031 0.0043 965 VAL 61 HG23 0.0111 -0.0019 0.0021 966 VAL 61 C 0.0070 -0.0003 0.0037 967 VAL 61 O 0.0062 0.0007 0.0023 968 TYR 62 N 0.0081 -0.0036 0.0026 969 TYR 62 HN 0.0096 -0.0052 0.0048 970 TYR 62 CA 0.0048 -0.0028 0.0019 971 TYR 62 HA 0.0030 -0.0013 -0.0002 972 TYR 62 CB 0.0020 -0.0045 0.0053 973 TYR 62 HB1 0.0034 -0.0059 0.0072 974 TYR 62 HB2 0.0013 -0.0053 0.0066 975 TYR 62 CG -0.0022 -0.0035 0.0044 976 TYR 62 CD1 -0.0031 -0.0037 0.0049 977 TYR 62 HD1 -0.0009 -0.0046 0.0059 978 TYR 62 CE1 -0.0070 -0.0026 0.0039 979 TYR 62 HE1 -0.0077 -0.0027 0.0042 980 TYR 62 CZ -0.0099 -0.0013 0.0024 981 TYR 62 OH -0.0137 -0.0002 0.0014 982 TYR 62 HH -0.0147 0.0011 -0.0006 983 TYR 62 CD2 -0.0052 -0.0022 0.0030 984 TYR 62 HD2 -0.0045 -0.0021 0.0026 985 TYR 62 CE2 -0.0090 -0.0011 0.0020 986 TYR 62 HE2 -0.0113 -0.0002 0.0008 987 TYR 62 C 0.0068 -0.0021 0.0004 988 TYR 62 O 0.0102 -0.0031 0.0013 989 LEU 63 N 0.0018 -0.0045 -0.0041 990 LEU 63 HN 0.0007 -0.0040 -0.0044 991 LEU 63 CA 0.0025 -0.0046 -0.0046 992 LEU 63 HA 0.0036 -0.0051 -0.0042 993 LEU 63 CB 0.0027 -0.0040 -0.0063 994 LEU 63 HB1 0.0017 -0.0035 -0.0067 995 LEU 63 HB2 0.0029 -0.0039 -0.0069 996 LEU 63 CG 0.0040 -0.0043 -0.0069 997 LEU 63 HG 0.0040 -0.0045 -0.0062 998 LEU 63 CD1 0.0056 -0.0049 -0.0068 999 LEU 63 HD11 0.0057 -0.0047 -0.0075 1000 LEU 63 HD12 0.0065 -0.0051 -0.0073 1001 LEU 63 HD13 0.0057 -0.0054 -0.0056 1002 LEU 63 CD2 0.0039 -0.0037 -0.0086 1003 LEU 63 HD21 0.0048 -0.0039 -0.0090 1004 LEU 63 HD22 0.0038 -0.0034 -0.0093 1005 LEU 63 HD23 0.0028 -0.0033 -0.0086 1006 LEU 63 C 0.0016 -0.0045 -0.0038 1007 LEU 63 O 0.0003 -0.0040 -0.0040 1008 SER 64 N 0.0039 -0.0046 -0.0043 1009 SER 64 HN 0.0028 -0.0041 -0.0043 1010 SER 64 CA 0.0044 -0.0047 -0.0057 1011 SER 64 HA 0.0056 -0.0054 -0.0058 1012 SER 64 CB 0.0038 -0.0042 -0.0074 1013 SER 64 HB1 0.0026 -0.0035 -0.0073 1014 SER 64 HB2 0.0044 -0.0045 -0.0076 1015 SER 64 OG 0.0042 -0.0042 -0.0089 1016 SER 64 HG1 0.0034 -0.0037 -0.0090 1017 SER 64 C 0.0038 -0.0044 -0.0055 1018 SER 64 O 0.0026 -0.0039 -0.0047 1019 HIS 65 N 0.0170 0.0084 -0.0135 1020 HIS 65 HN 0.0236 0.0186 -0.0164 1021 HIS 65 CA 0.0197 0.0001 0.0004 1022 HIS 65 HA 0.0130 -0.0104 0.0036 1023 HIS 65 CB 0.0327 0.0050 0.0131 1024 HIS 65 HB1 0.0398 0.0157 0.0103 1025 HIS 65 HB2 0.0338 0.0052 0.0143 1026 HIS 65 CD2 0.0431 -0.0013 0.0354 1027 HIS 65 HD2 0.0493 0.0080 0.0330 1028 HIS 65 CG 0.0352 -0.0039 0.0275 1029 HIS 65 NE2 0.0415 -0.0131 0.0475 1030 HIS 65 HE2 0.0456 -0.0147 0.0552 1031 HIS 65 ND1 0.0288 -0.0174 0.0344 1032 HIS 65 HD1 0.0226 -0.0219 0.0312 1033 HIS 65 CE1 0.0328 -0.0225 0.0464 1034 HIS 65 HE1 0.0294 -0.0331 0.0543 1035 HIS 65 C 0.0183 0.0002 -0.0017 1036 HIS 65 O 0.0249 0.0108 -0.0051 1037 HIS 66 N 0.0023 -0.0101 -0.0103 1038 HIS 66 HN -0.0012 -0.0105 -0.0027 1039 HIS 66 CA -0.0061 -0.0110 -0.0191 1040 HIS 66 HA -0.0146 -0.0118 -0.0150 1041 HIS 66 CB -0.0056 -0.0109 -0.0222 1042 HIS 66 HB1 -0.0127 -0.0116 -0.0285 1043 HIS 66 HB2 0.0029 -0.0101 -0.0263 1044 HIS 66 CD2 -0.0030 -0.0107 -0.0092 1045 HIS 66 HD2 0.0029 -0.0101 -0.0145 1046 HIS 66 CG -0.0075 -0.0111 -0.0117 1047 HIS 66 NE2 -0.0077 -0.0111 0.0015 1048 HIS 66 HE2 -0.0069 -0.0110 0.0054 1049 HIS 66 ND1 -0.0148 -0.0118 -0.0027 1050 HIS 66 HD1 -0.0194 -0.0122 -0.0021 1051 HIS 66 CE1 -0.0148 -0.0118 0.0050 1052 HIS 66 HE1 -0.0198 -0.0122 0.0132 1053 HIS 66 C -0.0062 -0.0110 -0.0299 1054 HIS 66 O 0.0009 -0.0103 -0.0311 1055 LEU 67 N -0.0102 -0.0098 -0.0169 1056 LEU 67 HN -0.0121 -0.0076 -0.0191 1057 LEU 67 CA -0.0096 -0.0105 -0.0158 1058 LEU 67 HA -0.0083 -0.0107 -0.0120 1059 LEU 67 CB -0.0120 -0.0065 -0.0166 1060 LEU 67 HB1 -0.0134 -0.0060 -0.0205 1061 LEU 67 HB2 -0.0130 -0.0036 -0.0146 1062 LEU 67 CG -0.0115 -0.0065 -0.0149 1063 LEU 67 HG -0.0110 -0.0088 -0.0176 1064 LEU 67 CD1 -0.0092 -0.0081 -0.0100 1065 LEU 67 HD11 -0.0073 -0.0116 -0.0101 1066 LEU 67 HD12 -0.0095 -0.0062 -0.0072 1067 LEU 67 HD13 -0.0091 -0.0076 -0.0088 1068 LEU 67 CD2 -0.0140 -0.0019 -0.0147 1069 LEU 67 HD21 -0.0137 -0.0019 -0.0138 1070 LEU 67 HD22 -0.0145 0.0005 -0.0120 1071 LEU 67 HD23 -0.0157 -0.0006 -0.0183 1072 LEU 67 C -0.0079 -0.0149 -0.0183 1073 LEU 67 O -0.0088 -0.0156 -0.0227 1074 HIS 68 N 0.0022 -0.0066 -0.0211 1075 HIS 68 HN 0.0013 -0.0076 -0.0167 1076 HIS 68 CA 0.0034 -0.0100 -0.0219 1077 HIS 68 HA 0.0052 -0.0120 -0.0269 1078 HIS 68 CB 0.0037 -0.0159 -0.0167 1079 HIS 68 HB1 0.0019 -0.0142 -0.0116 1080 HIS 68 HB2 0.0048 -0.0193 -0.0170 1081 HIS 68 CD2 0.0048 -0.0227 -0.0134 1082 HIS 68 HD2 0.0033 -0.0221 -0.0081 1083 HIS 68 CG 0.0052 -0.0201 -0.0178 1084 HIS 68 NE2 0.0068 -0.0261 -0.0172 1085 HIS 68 HE2 0.0070 -0.0280 -0.0158 1086 HIS 68 ND1 0.0074 -0.0219 -0.0242 1087 HIS 68 HD1 0.0081 -0.0207 -0.0284 1088 HIS 68 CE1 0.0083 -0.0255 -0.0236 1089 HIS 68 HE1 0.0100 -0.0277 -0.0277 1090 HIS 68 C 0.0021 -0.0054 -0.0220 1091 HIS 68 O -0.0002 -0.0006 -0.0184 1092 GLY 69 N 0.0058 -0.0171 -0.0349 1093 GLY 69 HN 0.0070 -0.0269 -0.0408 1094 GLY 69 CA 0.0052 -0.0099 -0.0340 1095 GLY 69 HA1 0.0063 -0.0151 -0.0425 1096 GLY 69 HA2 0.0045 0.0023 -0.0358 1097 GLY 69 C 0.0039 -0.0119 -0.0190 1098 GLY 69 O 0.0026 -0.0011 -0.0127 1099 ASP 70 N 0.0022 -0.0083 -0.0113 1100 ASP 70 HN 0.0027 -0.0138 -0.0148 1101 ASP 70 CA 0.0009 -0.0103 -0.0022 1102 ASP 70 HA 0.0008 -0.0063 -0.0012 1103 ASP 70 CB 0.0008 -0.0206 -0.0011 1104 ASP 70 HB1 -0.0002 -0.0220 0.0054 1105 ASP 70 HB2 0.0008 -0.0250 -0.0012 1106 ASP 70 CG 0.0019 -0.0233 -0.0088 1107 ASP 70 OD1 0.0019 -0.0198 -0.0090 1108 ASP 70 OD2 0.0027 -0.0286 -0.0149 1109 ASP 70 C -0.0001 -0.0076 0.0051 1110 ASP 70 O 0.0001 -0.0074 0.0036 1111 HIS 71 N 0.0140 -0.0017 0.0149 1112 HIS 71 HN 0.0137 0.0008 0.0152 1113 HIS 71 CA 0.0106 -0.0029 0.0165 1114 HIS 71 HA 0.0095 0.0001 0.0172 1115 HIS 71 CB 0.0074 -0.0047 0.0179 1116 HIS 71 HB1 0.0047 -0.0052 0.0192 1117 HIS 71 HB2 0.0083 -0.0077 0.0173 1118 HIS 71 CD2 0.0070 -0.0020 0.0183 1119 HIS 71 HD2 0.0081 -0.0046 0.0176 1120 HIS 71 CG 0.0066 -0.0016 0.0185 1121 HIS 71 NE2 0.0059 0.0019 0.0191 1122 HIS 71 HE2 0.0060 0.0026 0.0191 1123 HIS 71 ND1 0.0052 0.0024 0.0195 1124 HIS 71 HD1 0.0046 0.0036 0.0198 1125 HIS 71 CE1 0.0048 0.0044 0.0198 1126 HIS 71 HE1 0.0038 0.0076 0.0205 1127 HIS 71 C 0.0110 -0.0057 0.0161 1128 HIS 71 O 0.0094 -0.0093 0.0167 1129 SER 72 N -0.0020 -0.0065 0.0083 1130 SER 72 HN -0.0019 -0.0055 0.0070 1131 SER 72 CA -0.0021 -0.0053 0.0080 1132 SER 72 HA -0.0023 -0.0062 0.0098 1133 SER 72 CB -0.0016 -0.0063 0.0049 1134 SER 72 HB1 -0.0016 -0.0055 0.0049 1135 SER 72 HB2 -0.0014 -0.0051 0.0029 1136 SER 72 OG -0.0012 -0.0095 0.0045 1137 SER 72 HG1 -0.0011 -0.0100 0.0038 1138 SER 72 C -0.0024 -0.0018 0.0081 1139 SER 72 O -0.0024 -0.0005 0.0075 1140 LEU 73 N -0.0048 -0.0043 0.0120 1141 LEU 73 HN -0.0041 -0.0063 0.0121 1142 LEU 73 CA -0.0051 -0.0020 0.0124 1143 LEU 73 HA -0.0059 0.0001 0.0122 1144 LEU 73 CB -0.0061 -0.0027 0.0108 1145 LEU 73 HB1 -0.0066 -0.0007 0.0110 1146 LEU 73 HB2 -0.0051 -0.0044 0.0114 1147 LEU 73 CG -0.0079 -0.0037 0.0081 1148 LEU 73 HG -0.0075 -0.0057 0.0078 1149 LEU 73 CD1 -0.0087 -0.0044 0.0067 1150 LEU 73 HD11 -0.0100 -0.0052 0.0048 1151 LEU 73 HD12 -0.0076 -0.0061 0.0075 1152 LEU 73 HD13 -0.0092 -0.0025 0.0069 1153 LEU 73 CD2 -0.0095 -0.0014 0.0070 1154 LEU 73 HD21 -0.0089 -0.0009 0.0079 1155 LEU 73 HD22 -0.0107 -0.0022 0.0050 1156 LEU 73 HD23 -0.0099 0.0007 0.0072 1157 LEU 73 C -0.0032 -0.0016 0.0151 1158 LEU 73 O -0.0018 -0.0038 0.0160 1159 PHE 74 N -0.0012 -0.0027 0.0083 1160 PHE 74 HN -0.0023 -0.0021 0.0086 1161 PHE 74 CA -0.0003 -0.0024 0.0092 1162 PHE 74 HA 0.0009 -0.0031 0.0088 1163 PHE 74 CB 0.0002 -0.0013 0.0108 1164 PHE 74 HB1 0.0007 -0.0010 0.0115 1165 PHE 74 HB2 -0.0009 -0.0006 0.0112 1166 PHE 74 CG 0.0015 -0.0016 0.0111 1167 PHE 74 CD1 0.0010 -0.0015 0.0110 1168 PHE 74 HD1 -0.0003 -0.0012 0.0107 1169 PHE 74 CE1 0.0022 -0.0017 0.0113 1170 PHE 74 HE1 0.0018 -0.0016 0.0113 1171 PHE 74 CZ 0.0039 -0.0021 0.0117 1172 PHE 74 HZ 0.0048 -0.0023 0.0120 1173 PHE 74 CD2 0.0032 -0.0020 0.0115 1174 PHE 74 HD2 0.0036 -0.0021 0.0116 1175 PHE 74 CE2 0.0044 -0.0022 0.0118 1176 PHE 74 HE2 0.0058 -0.0025 0.0121 1177 PHE 74 C -0.0012 -0.0021 0.0090 1178 PHE 74 O -0.0028 -0.0018 0.0086 1179 HIS 75 N -0.0009 -0.0002 0.0112 1180 HIS 75 HN 0.0003 0.0018 0.0100 1181 HIS 75 CA -0.0020 -0.0033 0.0092 1182 HIS 75 HA -0.0033 -0.0053 0.0109 1183 HIS 75 CB -0.0017 -0.0038 0.0061 1184 HIS 75 HB1 -0.0004 -0.0017 0.0043 1185 HIS 75 HB2 -0.0018 -0.0037 0.0072 1186 HIS 75 CD2 -0.0040 -0.0096 0.0036 1187 HIS 75 HD2 -0.0046 -0.0102 0.0054 1188 HIS 75 CG -0.0027 -0.0069 0.0036 1189 HIS 75 NE2 -0.0045 -0.0116 0.0008 1190 HIS 75 HE2 -0.0054 -0.0138 -0.0001 1191 HIS 75 ND1 -0.0024 -0.0073 0.0008 1192 HIS 75 HD1 -0.0016 -0.0057 0.0002 1193 HIS 75 CE1 -0.0035 -0.0102 -0.0008 1194 HIS 75 HE1 -0.0036 -0.0112 -0.0032 1195 HIS 75 C -0.0018 -0.0034 0.0078 1196 HIS 75 O -0.0004 -0.0012 0.0060 1197 LEU 76 N 0.0016 -0.0030 0.0032 1198 LEU 76 HN 0.0013 -0.0038 0.0039 1199 LEU 76 CA 0.0019 -0.0031 0.0023 1200 LEU 76 HA 0.0021 -0.0020 0.0019 1201 LEU 76 CB 0.0015 -0.0036 0.0032 1202 LEU 76 HB1 0.0017 -0.0035 0.0026 1203 LEU 76 HB2 0.0013 -0.0048 0.0035 1204 LEU 76 CG 0.0011 -0.0027 0.0046 1205 LEU 76 HG 0.0009 -0.0028 0.0052 1206 LEU 76 CD1 0.0008 -0.0035 0.0054 1207 LEU 76 HD11 0.0010 -0.0035 0.0048 1208 LEU 76 HD12 0.0005 -0.0028 0.0064 1209 LEU 76 HD13 0.0006 -0.0046 0.0057 1210 LEU 76 CD2 0.0013 -0.0011 0.0043 1211 LEU 76 HD21 0.0016 -0.0006 0.0038 1212 LEU 76 HD22 0.0010 -0.0005 0.0054 1213 LEU 76 HD23 0.0016 -0.0011 0.0037 1214 LEU 76 C 0.0022 -0.0042 0.0011 1215 LEU 76 O 0.0020 -0.0055 0.0013 1216 GLU 77 N -0.0024 -0.0058 0.0013 1217 GLU 77 HN -0.0023 -0.0028 0.0006 1218 GLU 77 CA -0.0022 -0.0084 -0.0026 1219 GLU 77 HA -0.0023 -0.0112 -0.0015 1220 GLU 77 CB -0.0020 -0.0055 -0.0058 1221 GLU 77 HB1 -0.0019 -0.0077 -0.0087 1222 GLU 77 HB2 -0.0019 -0.0026 -0.0071 1223 GLU 77 CG -0.0021 -0.0039 -0.0034 1224 GLU 77 HG1 -0.0022 -0.0009 -0.0013 1225 GLU 77 HG2 -0.0023 -0.0066 -0.0010 1226 GLU 77 CD -0.0019 -0.0028 -0.0065 1227 GLU 77 OE1 -0.0017 0.0006 -0.0090 1228 GLU 77 OE2 -0.0020 -0.0050 -0.0061 1229 GLU 77 C -0.0021 -0.0102 -0.0050 1230 GLU 77 O -0.0020 -0.0077 -0.0067 1231 HIS 78 N 0.0003 -0.0102 -0.0129 1232 HIS 78 HN -0.0010 -0.0123 -0.0132 1233 HIS 78 CA -0.0003 -0.0104 -0.0119 1234 HIS 78 HA 0.0010 -0.0078 -0.0108 1235 HIS 78 CB -0.0033 -0.0125 -0.0088 1236 HIS 78 HB1 -0.0040 -0.0134 -0.0087 1237 HIS 78 HB2 -0.0047 -0.0149 -0.0095 1238 HIS 78 CD2 -0.0049 -0.0102 -0.0025 1239 HIS 78 HD2 -0.0056 -0.0117 -0.0031 1240 HIS 78 CG -0.0038 -0.0103 -0.0047 1241 HIS 78 NE2 -0.0051 -0.0079 0.0012 1242 HIS 78 HE2 -0.0058 -0.0074 0.0034 1243 HIS 78 ND1 -0.0033 -0.0080 -0.0025 1244 HIS 78 HD1 -0.0026 -0.0075 -0.0032 1245 HIS 78 CE1 -0.0041 -0.0067 0.0011 1246 HIS 78 HE1 -0.0039 -0.0047 0.0034 1247 HIS 78 C 0.0001 -0.0122 -0.0154 1248 HIS 78 O -0.0008 -0.0151 -0.0175 1249 HIS 79 N -0.0165 -0.0126 0.0023 1250 HIS 79 HN -0.0140 0.0048 0.0104 1251 HIS 79 CA -0.0044 -0.0191 -0.0077 1252 HIS 79 HA -0.0139 -0.0358 -0.0116 1253 HIS 79 CB 0.0217 -0.0200 -0.0222 1254 HIS 79 HB1 0.0311 -0.0220 -0.0283 1255 HIS 79 HB2 0.0309 -0.0034 -0.0182 1256 HIS 79 CD2 0.0357 -0.0398 -0.0404 1257 HIS 79 HD2 0.0430 -0.0250 -0.0364 1258 HIS 79 CG 0.0249 -0.0400 -0.0347 1259 HIS 79 NE2 0.0369 -0.0628 -0.0535 1260 HIS 79 HE2 0.0439 -0.0688 -0.0605 1261 HIS 79 ND1 0.0196 -0.0625 -0.0440 1262 HIS 79 HD1 0.0120 -0.0677 -0.0428 1263 HIS 79 CE1 0.0270 -0.0757 -0.0551 1264 HIS 79 HE1 0.0252 -0.0947 -0.0644 1265 HIS 79 C -0.0027 -0.0006 0.0014 1266 HIS 79 O 0.0082 0.0199 0.0065 1267 GLY 80 N 0.0097 0.0544 0.0122 1268 GLY 80 HN 0.0102 0.0661 0.0099 1269 GLY 80 CA 0.0092 0.0577 0.0150 1270 GLY 80 HA1 0.0065 0.0520 0.0289 1271 GLY 80 HA2 0.0095 0.0731 0.0134 1272 GLY 80 C 0.0120 0.0475 0.0000 1273 GLY 80 O 0.0153 0.0499 -0.0172 1274 GLY 81 N 0.0055 -0.0008 -0.0041 1275 GLY 81 HN 0.0018 -0.0015 -0.0056 1276 GLY 81 CA 0.0067 -0.0037 -0.0064 1277 GLY 81 HA1 0.0049 -0.0073 -0.0100 1278 GLY 81 HA2 0.0120 -0.0043 -0.0056 1279 GLY 81 C 0.0031 -0.0011 -0.0050 1280 GLY 81 O 0.0044 -0.0027 -0.0060 1281 LYS 82 N 0.0071 -0.0067 -0.0055 1282 LYS 82 HN 0.0047 -0.0028 -0.0035 1283 LYS 82 CA 0.0032 -0.0038 -0.0039 1284 LYS 82 HA 0.0027 -0.0099 -0.0071 1285 LYS 82 CB -0.0081 0.0005 -0.0015 1286 LYS 82 HB1 -0.0109 0.0029 -0.0002 1287 LYS 82 HB2 -0.0076 0.0067 0.0017 1288 LYS 82 CG -0.0162 -0.0066 -0.0050 1289 LYS 82 HG1 -0.0130 -0.0096 -0.0066 1290 LYS 82 HG2 -0.0171 -0.0125 -0.0080 1291 LYS 82 CD -0.0270 -0.0021 -0.0024 1292 LYS 82 HD1 -0.0306 0.0003 -0.0011 1293 LYS 82 HD2 -0.0255 0.0042 0.0008 1294 LYS 82 CE -0.0345 -0.0087 -0.0057 1295 LYS 82 HE1 -0.0420 -0.0049 -0.0036 1296 LYS 82 HE2 -0.0309 -0.0109 -0.0068 1297 LYS 82 NZ -0.0371 -0.0173 -0.0100 1298 LYS 82 HZ1 -0.0401 -0.0156 -0.0091 1299 LYS 82 HZ2 -0.0304 -0.0216 -0.0123 1300 LYS 82 HZ3 -0.0426 -0.0215 -0.0120 1301 LYS 82 C 0.0104 0.0034 -0.0004 1302 LYS 82 O 0.0152 0.0096 0.0027 1303 VAL 83 N 0.0025 0.0001 -0.0024 1304 VAL 83 HN 0.0028 0.0005 -0.0022 1305 VAL 83 CA 0.0031 0.0009 -0.0019 1306 VAL 83 HA 0.0027 0.0006 -0.0026 1307 VAL 83 CB 0.0035 0.0004 -0.0002 1308 VAL 83 HB 0.0029 -0.0008 -0.0000 1309 VAL 83 CG1 0.0041 0.0008 0.0009 1310 VAL 83 HG11 0.0043 0.0003 0.0021 1311 VAL 83 HG12 0.0037 0.0003 0.0006 1312 VAL 83 HG13 0.0047 0.0020 0.0008 1313 VAL 83 CG2 0.0039 0.0010 0.0002 1314 VAL 83 HG21 0.0041 0.0006 0.0013 1315 VAL 83 HG22 0.0045 0.0022 0.0001 1316 VAL 83 HG23 0.0035 0.0008 -0.0007 1317 VAL 83 C 0.0038 0.0025 -0.0023 1318 VAL 83 O 0.0042 0.0031 -0.0022 1319 SER 84 N 0.0009 0.0029 -0.0043 1320 SER 84 HN 0.0008 0.0025 -0.0043 1321 SER 84 CA 0.0015 0.0060 -0.0048 1322 SER 84 HA 0.0017 0.0061 -0.0046 1323 SER 84 CB -0.0002 0.0076 -0.0072 1324 SER 84 HB1 -0.0004 0.0076 -0.0074 1325 SER 84 HB2 -0.0017 0.0063 -0.0084 1326 SER 84 OG 0.0003 0.0105 -0.0078 1327 SER 84 HG1 -0.0010 0.0113 -0.0094 1328 SER 84 C 0.0036 0.0074 -0.0030 1329 SER 84 O 0.0041 0.0067 -0.0022 1330 ILE 85 N 0.0039 0.0021 -0.0012 1331 ILE 85 HN 0.0040 0.0025 -0.0016 1332 ILE 85 CA 0.0049 0.0026 -0.0002 1333 ILE 85 HA 0.0048 0.0021 0.0001 1334 ILE 85 CB 0.0057 0.0026 0.0010 1335 ILE 85 HB 0.0059 0.0034 0.0006 1336 ILE 85 CG2 0.0067 0.0031 0.0021 1337 ILE 85 HG21 0.0072 0.0030 0.0030 1338 ILE 85 HG22 0.0071 0.0041 0.0017 1339 ILE 85 HG23 0.0065 0.0024 0.0025 1340 ILE 85 CG1 0.0052 0.0012 0.0015 1341 ILE 85 HG11 0.0058 0.0013 0.0024 1342 ILE 85 HG12 0.0045 0.0010 0.0007 1343 ILE 85 CD 0.0048 -0.0000 0.0021 1344 ILE 85 HD1 0.0043 -0.0010 0.0024 1345 ILE 85 HD2 0.0054 0.0001 0.0030 1346 ILE 85 HD3 0.0042 -0.0001 0.0013 1347 ILE 85 C 0.0054 0.0041 -0.0010 1348 ILE 85 O 0.0056 0.0050 -0.0015 1349 LYS 86 N 0.0027 0.0022 0.0007 1350 LYS 86 HN 0.0019 0.0008 0.0014 1351 LYS 86 CA 0.0042 0.0054 -0.0012 1352 LYS 86 HA 0.0054 0.0068 -0.0012 1353 LYS 86 CB 0.0022 0.0061 -0.0048 1354 LYS 86 HB1 0.0006 0.0051 -0.0058 1355 LYS 86 HB2 0.0033 0.0085 -0.0063 1356 LYS 86 CG 0.0006 0.0047 -0.0053 1357 LYS 86 HG1 0.0021 0.0058 -0.0045 1358 LYS 86 HG2 -0.0006 0.0023 -0.0038 1359 LYS 86 CD -0.0016 0.0053 -0.0089 1360 LYS 86 HD1 -0.0032 0.0040 -0.0095 1361 LYS 86 HD2 -0.0005 0.0077 -0.0105 1362 LYS 86 CE -0.0032 0.0043 -0.0097 1363 LYS 86 HE1 -0.0017 0.0057 -0.0095 1364 LYS 86 HE2 -0.0041 0.0019 -0.0081 1365 LYS 86 NZ -0.0055 0.0045 -0.0132 1366 LYS 86 HZ1 -0.0052 0.0059 -0.0145 1367 LYS 86 HZ2 -0.0074 0.0023 -0.0130 1368 LYS 86 HZ3 -0.0058 0.0050 -0.0142 1369 LYS 86 C 0.0064 0.0065 0.0005 1370 LYS 86 O 0.0063 0.0047 0.0026 1371 GLY 87 N 0.0052 0.0006 0.0023 1372 GLY 87 HN 0.0055 0.0028 -0.0007 1373 GLY 87 CA 0.0061 0.0021 0.0061 1374 GLY 87 HA1 0.0072 0.0054 0.0074 1375 GLY 87 HA2 0.0055 -0.0006 0.0090 1376 GLY 87 C 0.0061 0.0031 0.0041 1377 GLY 87 O 0.0053 0.0018 0.0001 1378 HIS 88 N 0.0057 0.0003 0.0097 1379 HIS 88 HN 0.0073 0.0014 0.0141 1380 HIS 88 CA 0.0057 0.0050 0.0113 1381 HIS 88 HA 0.0060 -0.0004 0.0102 1382 HIS 88 CB 0.0087 0.0087 0.0208 1383 HIS 88 HB1 0.0084 0.0147 0.0222 1384 HIS 88 HB2 0.0111 0.0032 0.0252 1385 HIS 88 CD2 0.0098 0.0189 0.0275 1386 HIS 88 HD2 0.0102 0.0247 0.0306 1387 HIS 88 CG 0.0093 0.0113 0.0232 1388 HIS 88 NE2 0.0099 0.0179 0.0273 1389 HIS 88 HE2 0.0101 0.0225 0.0297 1390 HIS 88 ND1 0.0090 0.0055 0.0203 1391 HIS 88 HD1 0.0086 -0.0006 0.0170 1392 HIS 88 CE1 0.0094 0.0098 0.0229 1393 HIS 88 HE1 0.0092 0.0073 0.0215 1394 HIS 88 C 0.0022 0.0123 0.0047 1395 HIS 88 O 0.0003 0.0164 0.0011 1396 HIS 89 N 0.0208 0.0114 -0.0059 1397 HIS 89 HN 0.0234 0.0085 -0.0016 1398 HIS 89 CA 0.0155 0.0197 -0.0146 1399 HIS 89 HA 0.0160 0.0219 -0.0137 1400 HIS 89 CB 0.0152 0.0322 -0.0143 1401 HIS 89 HB1 0.0114 0.0382 -0.0206 1402 HIS 89 HB2 0.0144 0.0307 -0.0157 1403 HIS 89 CD2 0.0250 0.0425 0.0037 1404 HIS 89 HD2 0.0251 0.0413 0.0037 1405 HIS 89 CG 0.0210 0.0387 -0.0037 1406 HIS 89 NE2 0.0292 0.0490 0.0114 1407 HIS 89 HE2 0.0327 0.0536 0.0178 1408 HIS 89 ND1 0.0226 0.0426 -0.0006 1409 HIS 89 HD1 0.0205 0.0411 -0.0044 1410 HIS 89 CE1 0.0276 0.0487 0.0085 1411 HIS 89 HE1 0.0300 0.0533 0.0130 1412 HIS 89 C 0.0095 0.0132 -0.0255 1413 HIS 89 O 0.0046 0.0190 -0.0338 1414 HIS 90 N 0.0059 0.0093 -0.0154 1415 HIS 90 HN 0.0035 0.0090 -0.0122 1416 HIS 90 CA 0.0048 0.0083 -0.0160 1417 HIS 90 HA 0.0011 0.0071 -0.0133 1418 HIS 90 CB 0.0041 0.0055 -0.0221 1419 HIS 90 HB1 0.0039 0.0052 -0.0224 1420 HIS 90 HB2 0.0074 0.0063 -0.0253 1421 HIS 90 CD2 -0.0022 0.0008 -0.0239 1422 HIS 90 HD2 -0.0000 0.0022 -0.0238 1423 HIS 90 CG -0.0009 0.0019 -0.0232 1424 HIS 90 NE2 -0.0072 -0.0028 -0.0249 1425 HIS 90 HE2 -0.0092 -0.0042 -0.0254 1426 HIS 90 ND1 -0.0050 -0.0011 -0.0240 1427 HIS 90 HD1 -0.0051 -0.0013 -0.0244 1428 HIS 90 CE1 -0.0088 -0.0038 -0.0250 1429 HIS 90 HE1 -0.0125 -0.0064 -0.0258 1430 HIS 90 C 0.0082 0.0115 -0.0135 1431 HIS 90 O 0.0083 0.0111 -0.0146 1432 HIS 91 N 0.0045 0.0042 -0.0094 1433 HIS 91 HN 0.0032 0.0031 -0.0112 1434 HIS 91 CA 0.0038 0.0031 -0.0096 1435 HIS 91 HA 0.0046 0.0029 -0.0065 1436 HIS 91 CB 0.0009 -0.0007 -0.0109 1437 HIS 91 HB1 0.0004 -0.0016 -0.0107 1438 HIS 91 HB2 -0.0000 -0.0007 -0.0140 1439 HIS 91 CD2 -0.0017 -0.0059 -0.0087 1440 HIS 91 HD2 -0.0029 -0.0064 -0.0115 1441 HIS 91 CG 0.0000 -0.0035 -0.0080 1442 HIS 91 NE2 -0.0016 -0.0076 -0.0048 1443 HIS 91 HE2 -0.0025 -0.0094 -0.0041 1444 HIS 91 ND1 0.0012 -0.0037 -0.0038 1445 HIS 91 HD1 0.0025 -0.0023 -0.0025 1446 HIS 91 CE1 0.0002 -0.0062 -0.0020 1447 HIS 91 HE1 0.0007 -0.0070 0.0013 1448 HIS 91 C 0.0045 0.0057 -0.0124 1449 HIS 91 O 0.0047 0.0075 -0.0156 1450 TYR 92 N 0.0059 0.0096 -0.0116 1451 TYR 92 HN 0.0061 0.0091 -0.0111 1452 TYR 92 CA 0.0051 0.0095 -0.0103 1453 TYR 92 HA 0.0047 0.0102 -0.0108 1454 TYR 92 CB 0.0038 0.0099 -0.0088 1455 TYR 92 HB1 0.0033 0.0097 -0.0077 1456 TYR 92 HB2 0.0041 0.0093 -0.0084 1457 TYR 92 CG 0.0025 0.0115 -0.0095 1458 TYR 92 CD1 0.0025 0.0120 -0.0105 1459 TYR 92 HD1 0.0034 0.0114 -0.0108 1460 TYR 92 CE1 0.0013 0.0135 -0.0111 1461 TYR 92 HE1 0.0014 0.0139 -0.0119 1462 TYR 92 CZ 0.0002 0.0144 -0.0107 1463 TYR 92 OH -0.0010 0.0158 -0.0114 1464 TYR 92 HH -0.0016 0.0162 -0.0111 1465 TYR 92 CD2 0.0013 0.0123 -0.0091 1466 TYR 92 HD2 0.0013 0.0119 -0.0083 1467 TYR 92 CE2 0.0001 0.0138 -0.0097 1468 TYR 92 HE2 -0.0008 0.0144 -0.0094 1469 TYR 92 C 0.0062 0.0080 -0.0094 1470 TYR 92 O 0.0070 0.0070 -0.0089 1471 ILE 93 N 0.0087 0.0009 -0.0021 1472 ILE 93 HN 0.0085 -0.0001 -0.0018 1473 ILE 93 CA 0.0094 0.0009 -0.0010 1474 ILE 93 HA 0.0100 0.0022 -0.0009 1475 ILE 93 CB 0.0100 -0.0003 0.0005 1476 ILE 93 HB 0.0094 -0.0016 0.0004 1477 ILE 93 CG2 0.0107 0.0004 0.0012 1478 ILE 93 HG21 0.0111 -0.0004 0.0024 1479 ILE 93 HG22 0.0113 0.0017 0.0013 1480 ILE 93 HG23 0.0101 0.0002 0.0004 1481 ILE 93 CG1 0.0108 -0.0003 0.0017 1482 ILE 93 HG11 0.0115 0.0010 0.0020 1483 ILE 93 HG12 0.0103 -0.0005 0.0012 1484 ILE 93 CD 0.0112 -0.0017 0.0032 1485 ILE 93 HD1 0.0105 -0.0030 0.0028 1486 ILE 93 HD2 0.0117 -0.0017 0.0040 1487 ILE 93 HD3 0.0117 -0.0016 0.0038 1488 ILE 93 C 0.0087 0.0003 -0.0018 1489 ILE 93 O 0.0079 -0.0011 -0.0022 1490 SER 94 N 0.0105 0.0006 -0.0030 1491 SER 94 HN 0.0116 0.0012 -0.0029 1492 SER 94 CA 0.0098 0.0002 -0.0030 1493 SER 94 HA 0.0085 -0.0004 -0.0032 1494 SER 94 CB 0.0101 0.0014 -0.0042 1495 SER 94 HB1 0.0113 0.0019 -0.0040 1496 SER 94 HB2 0.0097 0.0020 -0.0052 1497 SER 94 OG 0.0091 0.0011 -0.0046 1498 SER 94 HG1 0.0095 0.0007 -0.0038 1499 SER 94 C 0.0105 -0.0005 -0.0016 1500 SER 94 O 0.0120 -0.0001 -0.0011 1501 ALA 95 N 0.0084 -0.0018 0.0012 1502 ALA 95 HN 0.0072 -0.0020 0.0009 1503 ALA 95 CA 0.0090 -0.0026 0.0025 1504 ALA 95 HA 0.0102 -0.0025 0.0028 1505 ALA 95 CB 0.0080 -0.0037 0.0035 1506 ALA 95 HB1 0.0068 -0.0038 0.0032 1507 ALA 95 HB2 0.0085 -0.0043 0.0045 1508 ALA 95 HB3 0.0081 -0.0037 0.0035 1509 ALA 95 C 0.0089 -0.0027 0.0025 1510 ALA 95 O 0.0076 -0.0027 0.0020 1511 ASP 96 N 0.0089 0.0007 0.0026 1512 ASP 96 HN 0.0102 0.0011 0.0035 1513 ASP 96 CA 0.0091 0.0010 0.0023 1514 ASP 96 HA 0.0082 0.0013 0.0006 1515 ASP 96 CB 0.0113 0.0026 0.0026 1516 ASP 96 HB1 0.0115 0.0028 0.0024 1517 ASP 96 HB2 0.0123 0.0023 0.0042 1518 ASP 96 CG 0.0121 0.0042 0.0010 1519 ASP 96 OD1 0.0139 0.0054 0.0013 1520 ASP 96 OD2 0.0109 0.0042 -0.0006 1521 ASP 96 C 0.0083 -0.0006 0.0039 1522 ASP 96 O 0.0079 -0.0018 0.0053 1523 HIS 97 N 0.0049 0.0016 0.0030 1524 HIS 97 HN 0.0044 0.0029 0.0016 1525 HIS 97 CA 0.0044 -0.0005 0.0037 1526 HIS 97 HA 0.0038 -0.0022 0.0039 1527 HIS 97 CB 0.0032 -0.0004 0.0020 1528 HIS 97 HB1 0.0029 -0.0020 0.0026 1529 HIS 97 HB2 0.0038 0.0014 0.0018 1530 HIS 97 CD2 -0.0000 -0.0025 -0.0009 1531 HIS 97 HD2 -0.0003 -0.0044 -0.0000 1532 HIS 97 CG 0.0015 -0.0005 -0.0001 1533 HIS 97 NE2 -0.0012 -0.0015 -0.0030 1534 HIS 97 HE2 -0.0023 -0.0024 -0.0039 1535 HIS 97 ND1 0.0012 0.0017 -0.0018 1536 HIS 97 HD1 0.0021 0.0034 -0.0017 1537 HIS 97 CE1 -0.0004 0.0010 -0.0034 1538 HIS 97 HE1 -0.0010 0.0022 -0.0050 1539 HIS 97 C 0.0061 -0.0005 0.0058 1540 HIS 97 O 0.0060 -0.0025 0.0070 1541 HIS 98 N 0.0091 0.0021 0.0026 1542 HIS 98 HN 0.0091 0.0010 0.0033 1543 HIS 98 CA 0.0072 0.0036 0.0026 1544 HIS 98 HA 0.0070 0.0040 0.0024 1545 HIS 98 CB 0.0072 0.0055 0.0014 1546 HIS 98 HB1 0.0075 0.0052 0.0015 1547 HIS 98 HB2 0.0086 0.0062 0.0005 1548 HIS 98 CD2 0.0039 0.0081 0.0013 1549 HIS 98 HD2 0.0039 0.0080 0.0013 1550 HIS 98 CG 0.0052 0.0071 0.0013 1551 HIS 98 NE2 0.0023 0.0094 0.0012 1552 HIS 98 HE2 0.0011 0.0104 0.0011 1553 HIS 98 ND1 0.0045 0.0077 0.0012 1554 HIS 98 HD1 0.0052 0.0072 0.0012 1555 HIS 98 CE1 0.0028 0.0091 0.0012 1556 HIS 98 HE1 0.0019 0.0099 0.0011 1557 HIS 98 C 0.0052 0.0028 0.0039 1558 HIS 98 O 0.0054 0.0014 0.0046 1559 GLY 99 N 0.0083 0.0042 0.0020 1560 GLY 99 HN 0.0081 0.0036 0.0031 1561 GLY 99 CA 0.0093 0.0049 0.0020 1562 GLY 99 HA1 0.0099 0.0057 0.0012 1563 GLY 99 HA2 0.0099 0.0048 0.0032 1564 GLY 99 C 0.0086 0.0046 0.0015 1565 GLY 99 O 0.0074 0.0038 0.0014 1566 HIS 100 N 0.0080 0.0046 -0.0048 1567 HIS 100 HN 0.0072 0.0048 -0.0047 1568 HIS 100 CA 0.0087 0.0046 -0.0037 1569 HIS 100 HA 0.0093 0.0044 -0.0040 1570 HIS 100 CB 0.0079 0.0049 -0.0028 1571 HIS 100 HB1 0.0083 0.0048 -0.0020 1572 HIS 100 HB2 0.0072 0.0050 -0.0025 1573 HIS 100 CD2 0.0076 0.0048 -0.0038 1574 HIS 100 HD2 0.0085 0.0046 -0.0041 1575 HIS 100 CG 0.0072 0.0049 -0.0033 1576 HIS 100 NE2 0.0067 0.0050 -0.0040 1577 HIS 100 HE2 0.0067 0.0050 -0.0043 1578 HIS 100 ND1 0.0061 0.0052 -0.0031 1579 HIS 100 HD1 0.0056 0.0054 -0.0028 1580 HIS 100 CE1 0.0058 0.0053 -0.0036 1581 HIS 100 HE1 0.0049 0.0054 -0.0035 1582 HIS 100 C 0.0093 0.0045 -0.0030 1583 HIS 100 O 0.0089 0.0046 -0.0027 1584 VAL 101 N 0.0108 0.0017 -0.0005 1585 VAL 101 HN 0.0107 0.0015 0.0001 1586 VAL 101 CA 0.0108 0.0009 -0.0009 1587 VAL 101 HA 0.0109 0.0008 -0.0016 1588 VAL 101 CB 0.0106 -0.0000 -0.0004 1589 VAL 101 HB 0.0105 0.0001 0.0004 1590 VAL 101 CG1 0.0106 -0.0009 -0.0006 1591 VAL 101 HG11 0.0105 -0.0007 -0.0004 1592 VAL 101 HG12 0.0107 -0.0011 -0.0014 1593 VAL 101 HG13 0.0104 -0.0015 -0.0002 1594 VAL 101 CG2 0.0106 -0.0003 -0.0007 1595 VAL 101 HG21 0.0107 -0.0004 -0.0014 1596 VAL 101 HG22 0.0106 0.0003 -0.0005 1597 VAL 101 HG23 0.0105 -0.0009 -0.0003 1598 VAL 101 C 0.0108 0.0011 -0.0008 1599 VAL 101 O 0.0107 0.0016 -0.0001 1600 SER 102 N 0.0119 0.0018 -0.0026 1601 SER 102 HN 0.0122 0.0007 -0.0040 1602 SER 102 CA 0.0118 0.0025 -0.0021 1603 SER 102 HA 0.0116 0.0032 -0.0003 1604 SER 102 CB 0.0115 0.0045 -0.0038 1605 SER 102 HB1 0.0113 0.0059 -0.0037 1606 SER 102 HB2 0.0114 0.0054 -0.0031 1607 SER 102 OG 0.0117 0.0038 -0.0061 1608 SER 102 HG1 0.0117 0.0039 -0.0070 1609 SER 102 C 0.0121 0.0005 -0.0021 1610 SER 102 O 0.0124 -0.0014 -0.0014 1611 THR 103 N 0.0098 0.0002 -0.0015 1612 THR 103 HN 0.0094 0.0013 -0.0020 1613 THR 103 CA 0.0103 -0.0014 -0.0010 1614 THR 103 HA 0.0110 -0.0026 -0.0016 1615 THR 103 CB 0.0099 -0.0019 0.0012 1616 THR 103 HB 0.0098 -0.0020 0.0019 1617 THR 103 OG1 0.0105 -0.0035 0.0017 1618 THR 103 HG1 0.0103 -0.0039 0.0031 1619 THR 103 CG2 0.0090 -0.0003 0.0021 1620 THR 103 HG21 0.0087 -0.0006 0.0037 1621 THR 103 HG22 0.0085 0.0010 0.0017 1622 THR 103 HG23 0.0091 -0.0001 0.0014 1623 THR 103 C 0.0105 -0.0011 -0.0021 1624 THR 103 O 0.0099 0.0005 -0.0024 1625 LYS 104 N -0.0007 0.0026 -0.0080 1626 LYS 104 HN -0.0007 0.0023 -0.0080 1627 LYS 104 CA 0.0009 0.0013 -0.0081 1628 LYS 104 HA 0.0000 0.0008 -0.0077 1629 LYS 104 CB 0.0029 0.0027 -0.0089 1630 LYS 104 HB1 0.0021 0.0042 -0.0091 1631 LYS 104 HB2 0.0039 0.0018 -0.0089 1632 LYS 104 CG 0.0044 0.0035 -0.0095 1633 LYS 104 HG1 0.0055 0.0021 -0.0094 1634 LYS 104 HG2 0.0034 0.0043 -0.0095 1635 LYS 104 CD 0.0060 0.0054 -0.0104 1636 LYS 104 HD1 0.0050 0.0069 -0.0105 1637 LYS 104 HD2 0.0069 0.0047 -0.0104 1638 LYS 104 CE 0.0078 0.0060 -0.0110 1639 LYS 104 HE1 0.0088 0.0044 -0.0108 1640 LYS 104 HE2 0.0070 0.0067 -0.0110 1641 LYS 104 NZ 0.0094 0.0075 -0.0118 1642 LYS 104 HZ1 0.0110 0.0072 -0.0121 1643 LYS 104 HZ2 0.0098 0.0074 -0.0118 1644 LYS 104 HZ3 0.0090 0.0093 -0.0122 1645 LYS 104 C 0.0017 -0.0009 -0.0077 1646 LYS 104 O 0.0015 -0.0011 -0.0076 1647 GLU 105 N -0.0213 -0.0086 -0.0144 1648 GLU 105 HN -0.0348 -0.0135 -0.0112 1649 GLU 105 CA -0.0037 -0.0118 0.0059 1650 GLU 105 HA 0.0034 -0.0095 0.0050 1651 GLU 105 CB -0.0152 -0.0242 0.0300 1652 GLU 105 HB1 -0.0226 -0.0269 0.0316 1653 GLU 105 HB2 -0.0311 -0.0285 0.0297 1654 GLU 105 CG 0.0029 -0.0279 0.0521 1655 GLU 105 HG1 0.0109 -0.0251 0.0504 1656 GLU 105 HG2 0.0182 -0.0246 0.0542 1657 GLU 105 CD -0.0100 -0.0403 0.0751 1658 GLU 105 OE1 -0.0179 -0.0455 0.0827 1659 GLU 105 OE2 -0.0117 -0.0448 0.0852 1660 GLU 105 C 0.0178 -0.0055 0.0048 1661 GLU 105 O 0.0141 -0.0047 0.0001 1662 HIS 106 N -0.0032 -0.0143 -0.0010 1663 HIS 106 HN -0.0099 -0.0179 -0.0017 1664 HIS 106 CA 0.0184 -0.0050 0.0026 1665 HIS 106 HA 0.0232 -0.0086 0.0072 1666 HIS 106 CB 0.0329 -0.0119 0.0139 1667 HIS 106 HB1 0.0491 -0.0046 0.0164 1668 HIS 106 HB2 0.0294 -0.0088 0.0102 1669 HIS 106 CD2 0.0250 -0.0464 0.0335 1670 HIS 106 HD2 0.0195 -0.0462 0.0308 1671 HIS 106 CG 0.0315 -0.0323 0.0270 1672 HIS 106 NE2 0.0255 -0.0626 0.0446 1673 HIS 106 HE2 0.0182 -0.0756 0.0501 1674 HIS 106 ND1 0.0368 -0.0390 0.0339 1675 HIS 106 HD1 0.0422 -0.0318 0.0315 1676 HIS 106 CE1 0.0328 -0.0574 0.0444 1677 HIS 106 HE1 0.0344 -0.0673 0.0518 1678 HIS 106 C 0.0231 0.0162 -0.0095 1679 HIS 106 O 0.0140 0.0251 -0.0197 1680 HIS 107 N -0.0064 0.0206 -0.0148 1681 HIS 107 HN -0.0085 0.0257 -0.0161 1682 HIS 107 CA -0.0083 0.0187 -0.0116 1683 HIS 107 HA -0.0042 0.0160 -0.0138 1684 HIS 107 CB -0.0124 0.0255 -0.0121 1685 HIS 107 HB1 -0.0162 0.0288 -0.0107 1686 HIS 107 HB2 -0.0096 0.0287 -0.0170 1687 HIS 107 CD2 -0.0211 0.0241 -0.0029 1688 HIS 107 HD2 -0.0249 0.0254 -0.0001 1689 HIS 107 CG -0.0152 0.0239 -0.0084 1690 HIS 107 NE2 -0.0212 0.0219 -0.0013 1691 HIS 107 HE2 -0.0247 0.0209 0.0027 1692 HIS 107 ND1 -0.0118 0.0217 -0.0103 1693 HIS 107 HD1 -0.0074 0.0212 -0.0141 1694 HIS 107 CE1 -0.0156 0.0206 -0.0058 1695 HIS 107 HE1 -0.0143 0.0185 -0.0057 1696 HIS 107 C -0.0116 0.0136 -0.0050 1697 HIS 107 O -0.0153 0.0141 -0.0018 1698 ASP 108 N -0.0123 0.0196 -0.0172 1699 ASP 108 HN -0.0093 0.0184 -0.0166 1700 ASP 108 CA -0.0147 0.0147 -0.0117 1701 ASP 108 HA -0.0207 0.0163 -0.0120 1702 ASP 108 CB -0.0072 0.0129 -0.0114 1703 ASP 108 HB1 -0.0013 0.0106 -0.0102 1704 ASP 108 HB2 -0.0055 0.0173 -0.0163 1705 ASP 108 CG -0.0093 0.0091 -0.0069 1706 ASP 108 OD1 -0.0161 0.0068 -0.0031 1707 ASP 108 OD2 -0.0035 0.0082 -0.0072 1708 ASP 108 C -0.0162 0.0093 -0.0057 1709 ASP 108 O -0.0140 0.0089 -0.0058 1710 HIS 109 N -0.0376 0.0183 -0.0030 1711 HIS 109 HN -0.0483 0.0183 0.0006 1712 HIS 109 CA -0.0371 -0.0085 0.0116 1713 HIS 109 HA -0.0353 -0.0011 0.0069 1714 HIS 109 CB -0.0693 -0.0232 0.0304 1715 HIS 109 HB1 -0.0652 -0.0469 0.0421 1716 HIS 109 HB2 -0.0765 -0.0241 0.0333 1717 HIS 109 CD2 -0.1269 0.0108 0.0309 1718 HIS 109 HD2 -0.1381 0.0139 0.0329 1719 HIS 109 CG -0.0968 -0.0048 0.0294 1720 HIS 109 NE2 -0.1434 0.0241 0.0291 1721 HIS 109 HE2 -0.1660 0.0369 0.0296 1722 HIS 109 ND1 -0.0946 -0.0012 0.0268 1723 HIS 109 HD1 -0.0749 -0.0095 0.0247 1724 HIS 109 CE1 -0.1231 0.0165 0.0265 1725 HIS 109 HE1 -0.1284 0.0238 0.0242 1726 HIS 109 C -0.0057 -0.0320 0.0141 1727 HIS 109 O 0.0044 -0.0497 0.0204 1728 ASP 110 N -0.0069 -0.0030 0.0052 1729 ASP 110 HN -0.0077 -0.0014 0.0035 1730 ASP 110 CA -0.0005 -0.0050 0.0058 1731 ASP 110 HA -0.0002 -0.0083 0.0095 1732 ASP 110 CB 0.0037 -0.0039 0.0035 1733 ASP 110 HB1 0.0086 -0.0050 0.0035 1734 ASP 110 HB2 0.0029 -0.0004 -0.0002 1735 ASP 110 CG 0.0029 -0.0058 0.0059 1736 ASP 110 OD1 -0.0005 -0.0084 0.0097 1737 ASP 110 OD2 0.0061 -0.0047 0.0038 1738 ASP 110 C 0.0023 -0.0035 0.0034 1739 ASP 110 O 0.0068 -0.0056 0.0047 1740 THR 111 N 0.0012 0.0003 -0.0021 1741 THR 111 HN -0.0016 0.0017 -0.0026 1742 THR 111 CA 0.0038 0.0020 -0.0036 1743 THR 111 HA 0.0069 0.0005 -0.0031 1744 THR 111 CB 0.0044 0.0060 -0.0064 1745 THR 111 HB 0.0070 0.0068 -0.0074 1746 THR 111 OG1 0.0006 0.0084 -0.0074 1747 THR 111 HG1 0.0002 0.0084 -0.0074 1748 THR 111 CG2 0.0058 0.0065 -0.0070 1749 THR 111 HG21 0.0032 0.0058 -0.0061 1750 THR 111 HG22 0.0063 0.0094 -0.0090 1751 THR 111 HG23 0.0088 0.0048 -0.0063 1752 THR 111 C 0.0019 0.0016 -0.0030 1753 THR 111 O 0.0032 0.0032 -0.0044 1754 THR 112 N -0.0002 0.0008 -0.0043 1755 THR 112 HN -0.0030 -0.0022 -0.0032 1756 THR 112 CA -0.0017 0.0005 -0.0039 1757 THR 112 HA 0.0023 0.0033 -0.0052 1758 THR 112 CB -0.0090 0.0032 -0.0029 1759 THR 112 HB -0.0131 -0.0001 -0.0015 1760 THR 112 OG1 -0.0102 0.0104 -0.0038 1761 THR 112 HG1 -0.0101 0.0106 -0.0038 1762 THR 112 CG2 -0.0101 0.0030 -0.0026 1763 THR 112 HG21 -0.0058 0.0060 -0.0040 1764 THR 112 HG22 -0.0152 0.0056 -0.0019 1765 THR 112 HG23 -0.0099 -0.0025 -0.0017 1766 THR 112 C -0.0011 -0.0072 -0.0028 1767 THR 112 O -0.0040 -0.0118 -0.0014 1768 PHE 113 N -0.0001 -0.0037 0.0018 1769 PHE 113 HN 0.0003 -0.0026 0.0013 1770 PHE 113 CA 0.0007 -0.0060 0.0027 1771 PHE 113 HA -0.0001 -0.0071 0.0033 1772 PHE 113 CB 0.0035 -0.0064 0.0025 1773 PHE 113 HB1 0.0041 -0.0082 0.0032 1774 PHE 113 HB2 0.0042 -0.0055 0.0020 1775 PHE 113 CG 0.0047 -0.0054 0.0020 1776 PHE 113 CD1 0.0065 -0.0039 0.0011 1777 PHE 113 HD1 0.0071 -0.0033 0.0007 1778 PHE 113 CE1 0.0075 -0.0030 0.0005 1779 PHE 113 HE1 0.0089 -0.0018 -0.0002 1780 PHE 113 CZ 0.0068 -0.0037 0.0009 1781 PHE 113 HZ 0.0075 -0.0030 0.0005 1782 PHE 113 CD2 0.0039 -0.0061 0.0024 1783 PHE 113 HD2 0.0025 -0.0073 0.0030 1784 PHE 113 CE2 0.0050 -0.0052 0.0018 1785 PHE 113 HE2 0.0043 -0.0057 0.0021 1786 PHE 113 C -0.0003 -0.0066 0.0031 1787 PHE 113 O -0.0012 -0.0051 0.0026 1788 GLU 114 N 0.0001 -0.0041 0.0028 1789 GLU 114 HN 0.0008 -0.0038 0.0033 1790 GLU 114 CA -0.0005 -0.0092 0.0033 1791 GLU 114 HA -0.0001 -0.0090 0.0036 1792 GLU 114 CB -0.0047 -0.0121 0.0003 1793 GLU 114 HB1 -0.0051 -0.0160 0.0008 1794 GLU 114 HB2 -0.0049 -0.0125 0.0001 1795 GLU 114 CG -0.0081 -0.0092 -0.0034 1796 GLU 114 HG1 -0.0082 -0.0055 -0.0042 1797 GLU 114 HG2 -0.0077 -0.0083 -0.0033 1798 GLU 114 CD -0.0122 -0.0125 -0.0063 1799 GLU 114 OE1 -0.0151 -0.0109 -0.0092 1800 GLU 114 OE2 -0.0124 -0.0165 -0.0056 1801 GLU 114 C 0.0026 -0.0123 0.0067 1802 GLU 114 O 0.0045 -0.0110 0.0081 1803 GLU 115 N 0.0015 -0.0012 0.0082 1804 GLU 115 HN 0.0018 0.0006 0.0089 1805 GLU 115 CA 0.0025 -0.0018 0.0060 1806 GLU 115 HA 0.0029 -0.0024 0.0047 1807 GLU 115 CB 0.0038 0.0006 0.0054 1808 GLU 115 HB1 0.0045 0.0001 0.0039 1809 GLU 115 HB2 0.0033 0.0014 0.0069 1810 GLU 115 CG 0.0049 0.0024 0.0049 1811 GLU 115 HG1 0.0043 0.0029 0.0063 1812 GLU 115 HG2 0.0054 0.0015 0.0033 1813 GLU 115 CD 0.0061 0.0047 0.0044 1814 GLU 115 OE1 0.0069 0.0045 0.0030 1815 GLU 115 OE2 0.0064 0.0067 0.0054 1816 GLU 115 C 0.0018 -0.0038 0.0057 1817 GLU 115 O 0.0006 -0.0043 0.0073 1818 ILE 116 N 0.0009 -0.0027 0.0051 1819 ILE 116 HN 0.0002 -0.0030 0.0055 1820 ILE 116 CA 0.0009 -0.0015 0.0047 1821 ILE 116 HA 0.0017 -0.0013 0.0042 1822 ILE 116 CB 0.0001 -0.0008 0.0049 1823 ILE 116 HB -0.0007 -0.0011 0.0054 1824 ILE 116 CG2 0.0003 -0.0009 0.0048 1825 ILE 116 HG21 0.0004 -0.0018 0.0050 1826 ILE 116 HG22 -0.0004 -0.0005 0.0050 1827 ILE 116 HG23 0.0010 -0.0005 0.0043 1828 ILE 116 CG1 -0.0001 0.0005 0.0045 1829 ILE 116 HG11 0.0007 0.0008 0.0040 1830 ILE 116 HG12 -0.0002 0.0006 0.0046 1831 ILE 116 CD -0.0010 0.0012 0.0047 1832 ILE 116 HD1 -0.0018 0.0009 0.0052 1833 ILE 116 HD2 -0.0011 0.0021 0.0045 1834 ILE 116 HD3 -0.0009 0.0012 0.0047 1835 ILE 116 C 0.0008 -0.0014 0.0047 1836 ILE 116 O 0.0002 -0.0018 0.0052 1837 ILE 117 N -0.0005 -0.0013 -0.0024 1838 ILE 117 HN -0.0051 0.0008 -0.0087 1839 ILE 117 CA 0.0087 -0.0089 -0.0061 1840 ILE 117 HA 0.0140 -0.0113 0.0015 1841 ILE 117 CB 0.0119 -0.0133 -0.0151 1842 ILE 117 HB 0.0059 -0.0104 -0.0224 1843 ILE 117 CG2 0.0206 -0.0210 -0.0207 1844 ILE 117 HG21 0.0230 -0.0241 -0.0268 1845 ILE 117 HG22 0.0187 -0.0207 -0.0258 1846 ILE 117 HG23 0.0266 -0.0240 -0.0138 1847 ILE 117 CG1 0.0145 -0.0140 -0.0094 1848 ILE 117 HG11 0.0174 -0.0141 -0.0001 1849 ILE 117 HG12 0.0203 -0.0193 -0.0139 1850 ILE 117 CD 0.0061 -0.0080 -0.0106 1851 ILE 117 HD1 0.0002 -0.0025 -0.0058 1852 ILE 117 HD2 0.0034 -0.0080 -0.0200 1853 ILE 117 HD3 0.0088 -0.0092 -0.0069 1854 ILE 117 C 0.0081 -0.0094 -0.0103 1855 ILE 117 O 0.0011 -0.0057 -0.0169 1856 ILE 118 N 0.0032 -0.0084 -0.0017 1857 ILE 118 HN 0.0019 -0.0143 -0.0013 1858 ILE 118 CA 0.0003 -0.0061 0.0086 1859 ILE 118 HA 0.0030 0.0020 0.0054 1860 ILE 118 CB -0.0012 -0.0063 0.0133 1861 ILE 118 HB -0.0029 -0.0133 0.0141 1862 ILE 118 CG2 -0.0029 -0.0020 0.0212 1863 ILE 118 HG21 -0.0048 -0.0030 0.0265 1864 ILE 118 HG22 -0.0039 -0.0048 0.0226 1865 ILE 118 HG23 -0.0013 0.0049 0.0206 1866 ILE 118 CG1 -0.0003 -0.0036 0.0121 1867 ILE 118 HG11 -0.0024 -0.0049 0.0177 1868 ILE 118 HG12 0.0006 -0.0076 0.0070 1869 ILE 118 CD 0.0022 0.0057 0.0102 1870 ILE 118 HD1 0.0028 0.0071 0.0093 1871 ILE 118 HD2 0.0014 0.0101 0.0154 1872 ILE 118 HD3 0.0044 0.0072 0.0045 1873 ILE 118 C 0.0004 -0.0087 0.0067 1874 ILE 118 OT1 -0.0009 -0.0164 0.0061 1875 ILE 118 OT2 0.0019 -0.0129 -0.0004