1 ASN 3 N -0.0018 0.0028 -0.0017 2 ASN 3 HN 0.0002 0.0020 0.0001 3 ASN 3 CA -0.0027 0.0023 -0.0026 4 ASN 3 HA -0.0043 0.0044 -0.0040 5 ASN 3 CB -0.0004 0.0029 -0.0004 6 ASN 3 HB1 -0.0011 0.0025 -0.0011 7 ASN 3 HB2 0.0013 0.0009 0.0011 8 ASN 3 CG 0.0007 0.0068 0.0006 9 ASN 3 OD1 -0.0004 0.0094 -0.0004 10 ASN 3 ND2 0.0029 0.0074 0.0027 11 ASN 3 HD21 0.0036 0.0100 0.0033 12 ASN 3 HD22 0.0036 0.0054 0.0032 13 ASN 3 C -0.0041 -0.0014 -0.0039 14 ASN 3 O -0.0042 -0.0039 -0.0039 15 ARG 4 N -0.0020 -0.0022 -0.0076 16 ARG 4 HN -0.0020 -0.0012 -0.0108 17 ARG 4 CA -0.0063 -0.0018 -0.0046 18 ARG 4 HA -0.0057 -0.0031 -0.0011 19 ARG 4 CB -0.0080 -0.0011 -0.0049 20 ARG 4 HB1 -0.0109 -0.0011 -0.0022 21 ARG 4 HB2 -0.0094 0.0004 -0.0084 22 ARG 4 CG -0.0044 -0.0025 -0.0044 23 ARG 4 HG1 -0.0063 -0.0018 -0.0046 24 ARG 4 HG2 -0.0018 -0.0024 -0.0074 25 ARG 4 CD -0.0021 -0.0047 0.0001 26 ARG 4 HD1 -0.0002 -0.0054 0.0002 27 ARG 4 HD2 -0.0047 -0.0048 0.0031 28 ARG 4 NE 0.0010 -0.0057 0.0000 29 ARG 4 HE 0.0004 -0.0048 -0.0020 30 ARG 4 CZ 0.0048 -0.0076 0.0022 31 ARG 4 NH1 0.0062 -0.0089 0.0047 32 ARG 4 HH11 0.0047 -0.0083 0.0045 33 ARG 4 HH12 0.0092 -0.0103 0.0058 34 ARG 4 NH2 0.0073 -0.0083 0.0017 35 ARG 4 HH21 0.0101 -0.0097 0.0033 36 ARG 4 HH22 0.0064 -0.0073 -0.0003 37 ARG 4 C -0.0102 -0.0001 -0.0058 38 ARG 4 O -0.0135 0.0001 -0.0030 39 ALA 5 N -0.0043 0.0012 -0.0007 40 ALA 5 HN -0.0032 0.0025 -0.0010 41 ALA 5 CA -0.0040 0.0011 -0.0006 42 ALA 5 HA -0.0056 -0.0002 -0.0005 43 ALA 5 CB -0.0042 0.0037 -0.0016 44 ALA 5 HB1 -0.0039 0.0037 -0.0016 45 ALA 5 HB2 -0.0062 0.0044 -0.0023 46 ALA 5 HB3 -0.0027 0.0051 -0.0018 47 ALA 5 C -0.0014 0.0000 0.0004 48 ALA 5 O 0.0005 0.0005 0.0007 49 PHE 6 N 0.0007 0.0015 0.0017 50 PHE 6 HN -0.0008 0.0014 0.0015 51 PHE 6 CA 0.0031 -0.0000 0.0026 52 PHE 6 HA 0.0046 0.0005 0.0027 53 PHE 6 CB 0.0024 -0.0031 0.0033 54 PHE 6 HB1 0.0039 -0.0043 0.0039 55 PHE 6 HB2 0.0004 -0.0036 0.0032 56 PHE 6 CG 0.0022 -0.0038 0.0035 57 PHE 6 CD1 -0.0001 -0.0034 0.0030 58 PHE 6 HD1 -0.0019 -0.0026 0.0025 59 PHE 6 CE1 -0.0001 -0.0038 0.0032 60 PHE 6 HE1 -0.0019 -0.0034 0.0028 61 PHE 6 CZ 0.0022 -0.0048 0.0038 62 PHE 6 HZ 0.0022 -0.0051 0.0039 63 PHE 6 CD2 0.0045 -0.0048 0.0042 64 PHE 6 HD2 0.0063 -0.0052 0.0046 65 PHE 6 CE2 0.0045 -0.0053 0.0043 66 PHE 6 HE2 0.0063 -0.0060 0.0048 67 PHE 6 C 0.0044 0.0005 0.0026 68 PHE 6 O 0.0031 0.0012 0.0022 69 LYS 7 N 0.0045 0.0017 0.0033 70 LYS 7 HN 0.0067 0.0024 0.0046 71 LYS 7 CA 0.0022 0.0010 0.0031 72 LYS 7 HA -0.0001 0.0002 0.0019 73 LYS 7 CB 0.0035 0.0011 0.0008 74 LYS 7 HB1 0.0038 0.0009 -0.0020 75 LYS 7 HB2 0.0015 0.0006 0.0007 76 LYS 7 CG 0.0069 0.0021 0.0019 77 LYS 7 HG1 0.0068 0.0024 0.0048 78 LYS 7 HG2 0.0090 0.0026 0.0012 79 LYS 7 CD 0.0076 0.0022 0.0003 80 LYS 7 HD1 0.0081 0.0020 -0.0025 81 LYS 7 HD2 0.0051 0.0015 0.0006 82 LYS 7 CE 0.0103 0.0031 0.0021 83 LYS 7 HE1 0.0102 0.0029 0.0012 84 LYS 7 HE2 0.0098 0.0033 0.0050 85 LYS 7 NZ 0.0138 0.0039 0.0014 86 LYS 7 HZ1 0.0146 0.0039 -0.0011 87 LYS 7 HZ2 0.0139 0.0040 0.0015 88 LYS 7 HZ3 0.0154 0.0046 0.0033 89 LYS 7 C 0.0010 0.0011 0.0066 90 LYS 7 O 0.0027 0.0018 0.0092 91 SER 8 N -0.0028 0.0033 0.0033 92 SER 8 HN -0.0027 -0.0001 0.0031 93 SER 8 CA -0.0061 0.0071 0.0037 94 SER 8 HA -0.0070 0.0101 0.0038 95 SER 8 CB -0.0034 0.0095 0.0035 96 SER 8 HB1 0.0002 0.0114 0.0032 97 SER 8 HB2 -0.0059 0.0125 0.0038 98 SER 8 OG -0.0023 0.0057 0.0033 99 SER 8 HG1 0.0001 0.0033 0.0030 100 SER 8 C -0.0110 0.0045 0.0040 101 SER 8 O -0.0114 -0.0002 0.0039 102 HIS 9 N -0.0249 -0.0046 -0.0021 103 HIS 9 HN -0.0251 -0.0011 -0.0072 104 HIS 9 CA -0.0270 -0.0051 -0.0025 105 HIS 9 HA -0.0301 -0.0022 -0.0085 106 HIS 9 CB -0.0185 -0.0030 -0.0006 107 HIS 9 HB1 -0.0201 -0.0034 -0.0010 108 HIS 9 HB2 -0.0145 -0.0055 0.0053 109 HIS 9 CD2 -0.0052 0.0059 -0.0060 110 HIS 9 HD2 -0.0009 0.0042 -0.0010 111 HIS 9 CG -0.0130 0.0032 -0.0065 112 HIS 9 NE2 -0.0038 0.0117 -0.0135 113 HIS 9 HE2 0.0012 0.0149 -0.0154 114 HIS 9 ND1 -0.0164 0.0070 -0.0140 115 HIS 9 HD1 -0.0220 0.0062 -0.0161 116 HIS 9 CE1 -0.0107 0.0121 -0.0181 117 HIS 9 HE1 -0.0113 0.0162 -0.0244 118 HIS 9 C -0.0340 -0.0110 0.0020 119 HIS 9 O -0.0417 -0.0127 0.0001 120 HIS 10 N -0.0999 -0.0695 0.0777 121 HIS 10 HN -0.1465 -0.0509 0.0796 122 HIS 10 CA -0.0503 -0.0241 0.0309 123 HIS 10 HA 0.0059 -0.0504 0.0312 124 HIS 10 CB -0.0449 0.0263 -0.0055 125 HIS 10 HB1 -0.0041 0.0586 -0.0406 126 HIS 10 HB2 -0.1012 0.0575 -0.0092 127 HIS 10 CD2 -0.0564 0.0001 0.0161 128 HIS 10 HD2 -0.1144 0.0217 0.0196 129 HIS 10 CG -0.0194 -0.0038 0.0071 130 HIS 10 NE2 -0.0031 -0.0269 0.0179 131 HIS 10 HE2 -0.0109 -0.0300 0.0225 132 HIS 10 ND1 0.0551 -0.0322 0.0031 133 HIS 10 HD1 0.0955 -0.0406 -0.0039 134 HIS 10 CE1 0.0630 -0.0457 0.0100 135 HIS 10 HE1 0.1160 -0.0680 0.0085 136 HIS 10 C -0.0809 0.0166 0.0125 137 HIS 10 O -0.0523 0.0640 -0.0291 138 GLY 11 N -0.0434 0.0009 -0.0013 139 GLY 11 HN -0.0415 0.0087 0.0009 140 GLY 11 CA -0.0329 -0.0061 -0.0059 141 GLY 11 HA1 -0.0362 -0.0142 -0.0080 142 GLY 11 HA2 -0.0269 -0.0002 -0.0052 143 GLY 11 C -0.0248 -0.0104 -0.0091 144 GLY 11 O -0.0154 -0.0157 -0.0129 145 HIS 12 N -0.0100 -0.0019 0.0015 146 HIS 12 HN -0.0111 -0.0004 -0.0002 147 HIS 12 CA -0.0028 -0.0022 0.0014 148 HIS 12 HA -0.0014 -0.0055 0.0054 149 HIS 12 CB 0.0017 -0.0006 -0.0008 150 HIS 12 HB1 0.0070 -0.0002 -0.0014 151 HIS 12 HB2 -0.0002 0.0027 -0.0045 152 HIS 12 CD2 0.0079 -0.0046 0.0037 153 HIS 12 HD2 0.0131 -0.0036 0.0022 154 HIS 12 CG 0.0023 -0.0035 0.0027 155 HIS 12 NE2 0.0058 -0.0075 0.0073 156 HIS 12 HE2 0.0087 -0.0089 0.0088 157 HIS 12 ND1 -0.0033 -0.0056 0.0055 158 HIS 12 HD1 -0.0080 -0.0053 0.0055 159 HIS 12 CE1 -0.0009 -0.0080 0.0083 160 HIS 12 HE1 -0.0040 -0.0102 0.0111 161 HIS 12 C -0.0011 0.0005 -0.0019 162 HIS 12 O -0.0044 0.0039 -0.0058 163 PHE 13 N 0.0018 -0.0023 -0.0060 164 PHE 13 HN 0.0019 -0.0044 -0.0063 165 PHE 13 CA 0.0046 -0.0009 -0.0066 166 PHE 13 HA 0.0043 0.0006 -0.0063 167 PHE 13 CB 0.0068 -0.0032 -0.0076 168 PHE 13 HB1 0.0087 -0.0022 -0.0080 169 PHE 13 HB2 0.0074 -0.0046 -0.0079 170 PHE 13 CG 0.0054 -0.0053 -0.0074 171 PHE 13 CD1 0.0045 -0.0042 -0.0070 172 PHE 13 HD1 0.0048 -0.0018 -0.0068 173 PHE 13 CE1 0.0032 -0.0060 -0.0069 174 PHE 13 HE1 0.0024 -0.0051 -0.0065 175 PHE 13 CZ 0.0027 -0.0091 -0.0072 176 PHE 13 HZ 0.0017 -0.0105 -0.0070 177 PHE 13 CD2 0.0049 -0.0084 -0.0077 178 PHE 13 HD2 0.0056 -0.0093 -0.0081 179 PHE 13 CE2 0.0036 -0.0102 -0.0076 180 PHE 13 HE2 0.0032 -0.0126 -0.0078 181 PHE 13 C 0.0058 0.0009 -0.0067 182 PHE 13 O 0.0055 0.0002 -0.0067 183 LEU 14 N 0.0072 0.0019 -0.0012 184 LEU 14 HN 0.0087 0.0024 -0.0012 185 LEU 14 CA 0.0064 0.0018 -0.0002 186 LEU 14 HA 0.0049 0.0014 0.0003 187 LEU 14 CB 0.0076 0.0025 0.0018 188 LEU 14 HB1 0.0069 0.0024 0.0026 189 LEU 14 HB2 0.0092 0.0029 0.0014 190 LEU 14 CG 0.0075 0.0027 0.0034 191 LEU 14 HG 0.0083 0.0028 0.0028 192 LEU 14 CD1 0.0086 0.0033 0.0054 193 LEU 14 HD11 0.0078 0.0031 0.0062 194 LEU 14 HD12 0.0086 0.0034 0.0065 195 LEU 14 HD13 0.0102 0.0037 0.0050 196 LEU 14 CD2 0.0053 0.0021 0.0040 197 LEU 14 HD21 0.0046 0.0016 0.0027 198 LEU 14 HD22 0.0053 0.0022 0.0053 199 LEU 14 HD23 0.0044 0.0018 0.0046 200 LEU 14 C 0.0065 0.0017 -0.0017 201 LEU 14 O 0.0081 0.0020 -0.0028 202 SER 15 N -0.0011 -0.0041 -0.0046 203 SER 15 HN -0.0013 -0.0037 -0.0047 204 SER 15 CA -0.0025 -0.0031 -0.0041 205 SER 15 HA -0.0023 -0.0039 -0.0036 206 SER 15 CB -0.0026 -0.0012 -0.0055 207 SER 15 HB1 -0.0038 -0.0004 -0.0050 208 SER 15 HB2 -0.0026 -0.0004 -0.0061 209 SER 15 OG -0.0012 -0.0014 -0.0066 210 SER 15 HG1 -0.0002 -0.0025 -0.0066 211 SER 15 C -0.0042 -0.0029 -0.0028 212 SER 15 O -0.0045 -0.0028 -0.0026 213 ALA 16 N -0.0168 -0.0039 0.0035 214 ALA 16 HN -0.0167 -0.0039 0.0033 215 ALA 16 CA -0.0164 -0.0039 0.0031 216 ALA 16 HA -0.0166 -0.0039 0.0032 217 ALA 16 CB -0.0161 -0.0033 0.0028 218 ALA 16 HB1 -0.0164 -0.0028 0.0030 219 ALA 16 HB2 -0.0159 -0.0033 0.0026 220 ALA 16 HB3 -0.0158 -0.0032 0.0025 221 ALA 16 C -0.0161 -0.0046 0.0029 222 ALA 16 O -0.0159 -0.0049 0.0027 223 GLU 17 N -0.0182 -0.0060 0.0074 224 GLU 17 HN -0.0130 -0.0119 -0.0006 225 GLU 17 CA -0.0133 -0.0018 0.0141 226 GLU 17 HA -0.0222 0.0030 0.0201 227 GLU 17 CB 0.0019 0.0023 0.0222 228 GLU 17 HB1 0.0071 0.0031 0.0240 229 GLU 17 HB2 0.0099 -0.0022 0.0165 230 GLU 17 CG 0.0006 0.0114 0.0354 231 GLU 17 HG1 -0.0040 0.0112 0.0345 232 GLU 17 HG2 -0.0069 0.0161 0.0414 233 GLU 17 CD 0.0164 0.0146 0.0420 234 GLU 17 OE1 0.0203 0.0186 0.0485 235 GLU 17 OE2 0.0260 0.0121 0.0395 236 GLU 17 C -0.0102 -0.0084 0.0048 237 GLU 17 O -0.0015 -0.0150 -0.0038 238 GLY 18 N -0.0092 -0.0178 0.0009 239 GLY 18 HN -0.0055 -0.0115 -0.0103 240 GLY 18 CA -0.0138 -0.0305 -0.0078 241 GLY 18 HA1 -0.0209 -0.0463 -0.0031 242 GLY 18 HA2 -0.0114 -0.0290 -0.0258 243 GLY 18 C -0.0117 -0.0238 0.0007 244 GLY 18 O -0.0045 -0.0083 -0.0063 245 GLU 19 N -0.0018 -0.0403 -0.0044 246 GLU 19 HN -0.0100 -0.0368 -0.0110 247 GLU 19 CA -0.0021 -0.0257 0.0008 248 GLU 19 HA 0.0082 -0.0289 0.0096 249 GLU 19 CB -0.0044 -0.0053 0.0063 250 GLU 19 HB1 -0.0051 0.0059 0.0099 251 GLU 19 HB2 -0.0152 -0.0015 -0.0027 252 GLU 19 CG 0.0084 -0.0034 0.0194 253 GLU 19 HG1 0.0097 -0.0137 0.0167 254 GLU 19 HG2 0.0191 -0.0062 0.0287 255 GLU 19 CD 0.0057 0.0172 0.0246 256 GLU 19 OE1 0.0003 0.0316 0.0247 257 GLU 19 OE2 0.0092 0.0187 0.0285 258 GLU 19 C -0.0150 -0.0243 -0.0111 259 GLU 19 O -0.0181 -0.0107 -0.0090 260 ALA 20 N -0.0077 -0.0087 0.0044 261 ALA 20 HN -0.0077 -0.0084 0.0040 262 ALA 20 CA -0.0073 -0.0087 0.0053 263 ALA 20 HA -0.0072 -0.0089 0.0056 264 ALA 20 CB -0.0074 -0.0094 0.0057 265 ALA 20 HB1 -0.0071 -0.0094 0.0063 266 ALA 20 HB2 -0.0078 -0.0100 0.0056 267 ALA 20 HB3 -0.0075 -0.0092 0.0054 268 ALA 20 C -0.0067 -0.0079 0.0054 269 ALA 20 O -0.0067 -0.0074 0.0048 270 VAL 21 N -0.0048 -0.0016 0.0051 271 VAL 21 HN -0.0048 -0.0027 0.0058 272 VAL 21 CA -0.0034 -0.0005 0.0052 273 VAL 21 HA -0.0036 0.0005 0.0044 274 VAL 21 CB -0.0025 -0.0009 0.0059 275 VAL 21 HB -0.0022 -0.0019 0.0067 276 VAL 21 CG1 -0.0011 0.0004 0.0059 277 VAL 21 HG11 -0.0003 0.0005 0.0062 278 VAL 21 HG12 -0.0014 0.0014 0.0051 279 VAL 21 HG13 -0.0004 0.0001 0.0064 280 VAL 21 CG2 -0.0035 -0.0011 0.0055 281 VAL 21 HG21 -0.0028 -0.0012 0.0060 282 VAL 21 HG22 -0.0039 -0.0001 0.0046 283 VAL 21 HG23 -0.0045 -0.0020 0.0056 284 VAL 21 C -0.0025 -0.0006 0.0057 285 VAL 21 O -0.0025 -0.0018 0.0065 286 LYS 22 N 0.0051 -0.0016 -0.0041 287 LYS 22 HN 0.0076 -0.0013 -0.0066 288 LYS 22 CA 0.0040 -0.0005 -0.0071 289 LYS 22 HA 0.0027 -0.0013 -0.0037 290 LYS 22 CB -0.0013 0.0018 -0.0116 291 LYS 22 HB1 -0.0054 0.0017 -0.0089 292 LYS 22 HB2 -0.0026 0.0025 -0.0134 293 LYS 22 CG 0.0003 0.0031 -0.0169 294 LYS 22 HG1 0.0026 0.0038 -0.0207 295 LYS 22 HG2 0.0038 0.0020 -0.0155 296 LYS 22 CD -0.0052 0.0047 -0.0191 297 LYS 22 HD1 -0.0030 0.0053 -0.0224 298 LYS 22 HD2 -0.0074 0.0039 -0.0152 299 LYS 22 CE -0.0102 0.0065 -0.0222 300 LYS 22 HE1 -0.0129 0.0060 -0.0189 301 LYS 22 HE2 -0.0079 0.0071 -0.0258 302 LYS 22 NZ -0.0145 0.0081 -0.0252 303 LYS 22 HZ1 -0.0175 0.0095 -0.0280 304 LYS 22 HZ2 -0.0169 0.0076 -0.0222 305 LYS 22 HZ3 -0.0117 0.0084 -0.0278 306 LYS 22 C 0.0099 -0.0005 -0.0103 307 LYS 22 O 0.0141 -0.0008 -0.0118 308 THR 23 N 0.0121 0.0059 -0.0094 309 THR 23 HN 0.0097 0.0048 -0.0078 310 THR 23 CA 0.0125 0.0064 -0.0092 311 THR 23 HA 0.0152 0.0085 -0.0097 312 THR 23 CB 0.0103 0.0070 -0.0051 313 THR 23 HB 0.0074 0.0048 -0.0045 314 THR 23 OG1 0.0112 0.0097 -0.0020 315 THR 23 HG1 0.0095 0.0097 0.0005 316 THR 23 CG2 0.0109 0.0076 -0.0048 317 THR 23 HG21 0.0095 0.0083 -0.0018 318 THR 23 HG22 0.0098 0.0055 -0.0069 319 THR 23 HG23 0.0137 0.0097 -0.0057 320 THR 23 C 0.0115 0.0035 -0.0124 321 THR 23 O 0.0089 0.0007 -0.0132 322 HIS 24 N 0.0072 -0.0029 -0.0175 323 HIS 24 HN 0.0076 -0.0040 -0.0174 324 HIS 24 CA 0.0069 -0.0006 -0.0179 325 HIS 24 HA 0.0069 0.0004 -0.0181 326 HIS 24 CB 0.0049 -0.0000 -0.0169 327 HIS 24 HB1 0.0048 -0.0011 -0.0166 328 HIS 24 HB2 0.0037 -0.0004 -0.0162 329 HIS 24 CD2 0.0033 0.0031 -0.0169 330 HIS 24 HD2 0.0026 0.0022 -0.0163 331 HIS 24 CG 0.0043 0.0023 -0.0172 332 HIS 24 NE2 0.0031 0.0053 -0.0174 333 HIS 24 HE2 0.0022 0.0065 -0.0172 334 HIS 24 ND1 0.0048 0.0040 -0.0179 335 HIS 24 HD1 0.0056 0.0039 -0.0183 336 HIS 24 CE1 0.0040 0.0058 -0.0180 337 HIS 24 HE1 0.0041 0.0074 -0.0184 338 HIS 24 C 0.0086 0.0001 -0.0189 339 HIS 24 O 0.0093 -0.0011 -0.0190 340 HIS 25 N 0.0070 -0.0125 -0.0113 341 HIS 25 HN 0.0031 -0.0112 -0.0117 342 HIS 25 CA 0.0143 -0.0069 -0.0141 343 HIS 25 HA 0.0201 -0.0104 -0.0128 344 HIS 25 CB 0.0163 -0.0022 -0.0163 345 HIS 25 HB1 0.0189 -0.0065 -0.0145 346 HIS 25 HB2 0.0215 0.0024 -0.0186 347 HIS 25 CD2 0.0056 0.0098 -0.0212 348 HIS 25 HD2 0.0083 0.0149 -0.0236 349 HIS 25 CG 0.0084 0.0020 -0.0178 350 HIS 25 NE2 -0.0019 0.0104 -0.0211 351 HIS 25 HE2 -0.0056 0.0153 -0.0232 352 HIS 25 ND1 0.0029 -0.0024 -0.0156 353 HIS 25 HD1 0.0034 -0.0082 -0.0130 354 HIS 25 CE1 -0.0032 0.0029 -0.0177 355 HIS 25 HE1 -0.0086 0.0014 -0.0168 356 HIS 25 C 0.0124 -0.0009 -0.0167 357 HIS 25 O 0.0187 0.0022 -0.0184 358 GLY 26 N 0.0025 -0.0057 -0.0046 359 GLY 26 HN 0.0060 -0.0060 -0.0069 360 GLY 26 CA -0.0019 -0.0050 -0.0001 361 GLY 26 HA1 -0.0070 -0.0050 -0.0015 362 GLY 26 HA2 -0.0006 -0.0051 -0.0004 363 GLY 26 C -0.0013 -0.0041 0.0072 364 GLY 26 O 0.0039 -0.0040 0.0096 365 HIS 27 N -0.0069 0.0047 0.0340 366 HIS 27 HN -0.0003 -0.0039 0.0439 367 HIS 27 CA -0.0020 0.0241 0.0080 368 HIS 27 HA 0.0187 0.0232 0.0052 369 HIS 27 CB 0.0023 0.0362 -0.0084 370 HIS 27 HB1 0.0068 0.0505 -0.0276 371 HIS 27 HB2 -0.0182 0.0381 -0.0068 372 HIS 27 CD2 0.0301 0.0203 0.0066 373 HIS 27 HD2 0.0120 0.0197 0.0110 374 HIS 27 CG 0.0287 0.0272 -0.0019 375 HIS 27 NE2 0.0599 0.0131 0.0101 376 HIS 27 HE2 0.0685 0.0060 0.0175 377 HIS 27 ND1 0.0572 0.0247 -0.0043 378 HIS 27 HD1 0.0628 0.0285 -0.0103 379 HIS 27 CE1 0.0752 0.0161 0.0033 380 HIS 27 HE1 0.0995 0.0116 0.0043 381 HIS 27 C -0.0277 0.0328 0.0018 382 HIS 27 O -0.0533 0.0302 0.0102 383 HIS 28 N -0.0181 0.0129 0.0236 384 HIS 28 HN -0.0238 0.0114 0.0246 385 HIS 28 CA 0.0145 -0.0008 0.0117 386 HIS 28 HA 0.0251 -0.0094 0.0067 387 HIS 28 CB 0.0115 -0.0340 0.0034 388 HIS 28 HB1 -0.0025 -0.0541 0.0014 389 HIS 28 HB2 0.0377 -0.0430 -0.0056 390 HIS 28 CD2 -0.0356 -0.0521 0.0101 391 HIS 28 HD2 -0.0516 -0.0710 0.0089 392 HIS 28 CG -0.0071 -0.0328 0.0083 393 HIS 28 NE2 -0.0433 -0.0451 0.0140 394 HIS 28 HE2 -0.0629 -0.0557 0.0159 395 HIS 28 ND1 0.0033 -0.0137 0.0109 396 HIS 28 HD1 0.0237 0.0030 0.0105 397 HIS 28 CE1 -0.0194 -0.0217 0.0144 398 HIS 28 HE1 -0.0182 -0.0089 0.0176 399 HIS 28 C 0.0434 0.0238 0.0112 400 HIS 28 O 0.0736 0.0177 0.0021 401 ASP 29 N -0.0035 -0.0058 0.0268 402 ASP 29 HN -0.0046 -0.0039 0.0237 403 ASP 29 CA -0.0021 -0.0042 0.0306 404 ASP 29 HA -0.0011 -0.0034 0.0337 405 ASP 29 CB -0.0028 0.0006 0.0292 406 ASP 29 HB1 -0.0018 0.0019 0.0321 407 ASP 29 HB2 -0.0040 -0.0000 0.0258 408 ASP 29 CG -0.0032 0.0049 0.0283 409 ASP 29 OD1 -0.0042 0.0087 0.0260 410 ASP 29 OD2 -0.0026 0.0046 0.0300 411 ASP 29 C -0.0015 -0.0085 0.0321 412 ASP 29 O -0.0024 -0.0113 0.0292 413 HIS 30 N -0.0241 0.0094 -0.0053 414 HIS 30 HN -0.0257 0.0119 -0.0035 415 HIS 30 CA -0.0125 0.0066 0.0017 416 HIS 30 HA -0.0101 0.0012 -0.0031 417 HIS 30 CB -0.0025 0.0023 0.0053 418 HIS 30 HB1 0.0064 -0.0001 0.0102 419 HIS 30 HB2 -0.0044 0.0080 0.0108 420 HIS 30 CD2 -0.0032 -0.0078 -0.0083 421 HIS 30 HD2 -0.0060 -0.0027 -0.0043 422 HIS 30 CG -0.0013 -0.0066 -0.0050 423 HIS 30 NE2 -0.0006 -0.0175 -0.0183 424 HIS 30 HE2 -0.0014 -0.0207 -0.0231 425 HIS 30 ND1 0.0026 -0.0152 -0.0125 426 HIS 30 HD1 0.0048 -0.0165 -0.0121 427 HIS 30 CE1 0.0029 -0.0216 -0.0204 428 HIS 30 HE1 0.0053 -0.0292 -0.0279 429 HIS 30 C -0.0132 0.0158 0.0127 430 HIS 30 O -0.0190 0.0241 0.0181 431 HIS 31 N -0.0183 0.0068 -0.0068 432 HIS 31 HN -0.0200 0.0085 -0.0056 433 HIS 31 CA -0.0174 0.0045 -0.0092 434 HIS 31 HA -0.0145 0.0032 -0.0089 435 HIS 31 CB -0.0181 0.0052 -0.0087 436 HIS 31 HB1 -0.0177 0.0035 -0.0107 437 HIS 31 HB2 -0.0209 0.0067 -0.0086 438 HIS 31 CD2 -0.0159 0.0088 -0.0026 439 HIS 31 HD2 -0.0180 0.0106 -0.0016 440 HIS 31 CG -0.0156 0.0063 -0.0056 441 HIS 31 NE2 -0.0130 0.0087 -0.0008 442 HIS 31 HE2 -0.0124 0.0102 0.0016 443 HIS 31 ND1 -0.0126 0.0047 -0.0058 444 HIS 31 HD1 -0.0117 0.0027 -0.0078 445 HIS 31 CE1 -0.0111 0.0062 -0.0029 446 HIS 31 HE1 -0.0087 0.0055 -0.0021 447 HIS 31 C -0.0193 0.0028 -0.0127 448 HIS 31 O -0.0223 0.0036 -0.0135 449 THR 32 N -0.0182 0.0003 -0.0052 450 THR 32 HN -0.0191 0.0001 -0.0047 451 THR 32 CA -0.0176 0.0006 -0.0036 452 THR 32 HA -0.0176 0.0005 -0.0044 453 THR 32 CB -0.0192 0.0003 -0.0018 454 THR 32 HB -0.0193 0.0004 -0.0009 455 THR 32 OG1 -0.0212 -0.0003 -0.0026 456 THR 32 HG1 -0.0212 -0.0005 -0.0040 457 THR 32 CG2 -0.0187 0.0007 -0.0002 458 THR 32 HG21 -0.0199 0.0004 0.0011 459 THR 32 HG22 -0.0172 0.0012 0.0006 460 THR 32 HG23 -0.0186 0.0006 -0.0011 461 THR 32 C -0.0155 0.0013 -0.0027 462 THR 32 O -0.0151 0.0016 -0.0019 463 HIS 33 N -0.0150 0.0015 -0.0066 464 HIS 33 HN -0.0148 0.0010 -0.0079 465 HIS 33 CA -0.0137 0.0034 -0.0059 466 HIS 33 HA -0.0139 0.0037 -0.0047 467 HIS 33 CB -0.0121 0.0042 -0.0076 468 HIS 33 HB1 -0.0111 0.0056 -0.0070 469 HIS 33 HB2 -0.0118 0.0038 -0.0088 470 HIS 33 CD2 -0.0132 0.0026 -0.0083 471 HIS 33 HD2 -0.0143 0.0020 -0.0071 472 HIS 33 CG -0.0120 0.0036 -0.0087 473 HIS 33 NE2 -0.0125 0.0025 -0.0098 474 HIS 33 HE2 -0.0131 0.0017 -0.0101 475 HIS 33 ND1 -0.0107 0.0041 -0.0104 476 HIS 33 HD1 -0.0097 0.0049 -0.0110 477 HIS 33 CE1 -0.0111 0.0034 -0.0110 478 HIS 33 HE1 -0.0103 0.0035 -0.0124 479 HIS 33 C -0.0136 0.0040 -0.0048 480 HIS 33 O -0.0135 0.0036 -0.0057 481 PHE 34 N -0.0081 0.0014 -0.0001 482 PHE 34 HN -0.0087 0.0014 0.0002 483 PHE 34 CA -0.0080 0.0024 0.0002 484 PHE 34 HA -0.0076 0.0023 -0.0001 485 PHE 34 CB -0.0090 0.0028 0.0008 486 PHE 34 HB1 -0.0089 0.0036 0.0010 487 PHE 34 HB2 -0.0094 0.0029 0.0011 488 PHE 34 CG -0.0096 0.0021 0.0009 489 PHE 34 CD1 -0.0093 0.0020 0.0008 490 PHE 34 HD1 -0.0087 0.0025 0.0006 491 PHE 34 CE1 -0.0100 0.0014 0.0009 492 PHE 34 HE1 -0.0097 0.0013 0.0007 493 PHE 34 CZ -0.0108 0.0008 0.0011 494 PHE 34 HZ -0.0113 0.0003 0.0012 495 PHE 34 CD2 -0.0105 0.0015 0.0012 496 PHE 34 HD2 -0.0107 0.0015 0.0013 497 PHE 34 CE2 -0.0111 0.0008 0.0013 498 PHE 34 HE2 -0.0118 0.0003 0.0015 499 PHE 34 C -0.0073 0.0033 0.0001 500 PHE 34 O -0.0074 0.0036 0.0002 501 HIS 35 N -0.0010 0.0044 -0.0023 502 HIS 35 HN -0.0027 0.0075 -0.0007 503 HIS 35 CA 0.0013 0.0008 0.0012 504 HIS 35 HA 0.0030 -0.0023 -0.0009 505 HIS 35 CB 0.0015 0.0008 0.0050 506 HIS 35 HB1 0.0031 -0.0016 0.0082 507 HIS 35 HB2 -0.0004 0.0042 0.0068 508 HIS 35 CD2 0.0005 0.0021 -0.0003 509 HIS 35 HD2 -0.0017 0.0057 -0.0008 510 HIS 35 CG 0.0021 -0.0005 0.0022 511 HIS 35 NE2 0.0019 -0.0005 -0.0021 512 HIS 35 HE2 0.0012 0.0005 -0.0041 513 HIS 35 ND1 0.0046 -0.0047 0.0019 514 HIS 35 HD1 0.0063 -0.0074 0.0035 515 HIS 35 CE1 0.0043 -0.0045 -0.0007 516 HIS 35 HE1 0.0060 -0.0074 -0.0015 517 HIS 35 C 0.0012 0.0013 0.0041 518 HIS 35 O -0.0007 0.0047 0.0066 519 VAL 36 N -0.0018 -0.0080 -0.0011 520 VAL 36 HN -0.0028 -0.0128 -0.0023 521 VAL 36 CA -0.0019 -0.0077 -0.0030 522 VAL 36 HA -0.0011 -0.0019 -0.0043 523 VAL 36 CB -0.0037 -0.0125 -0.0098 524 VAL 36 HB -0.0046 -0.0184 -0.0086 525 VAL 36 CG1 -0.0039 -0.0123 -0.0115 526 VAL 36 HG11 -0.0038 -0.0151 -0.0069 527 VAL 36 HG12 -0.0029 -0.0064 -0.0123 528 VAL 36 HG13 -0.0052 -0.0154 -0.0168 529 VAL 36 CG2 -0.0041 -0.0095 -0.0167 530 VAL 36 HG21 -0.0032 -0.0037 -0.0182 531 VAL 36 HG22 -0.0040 -0.0096 -0.0157 532 VAL 36 HG23 -0.0054 -0.0131 -0.0216 533 VAL 36 C -0.0015 -0.0104 0.0039 534 VAL 36 O -0.0023 -0.0165 0.0069 535 GLU 37 N -0.0009 -0.0123 0.0016 536 GLU 37 HN -0.0001 -0.0078 -0.0005 537 GLU 37 CA 0.0011 -0.0129 0.0062 538 GLU 37 HA 0.0002 -0.0179 0.0085 539 GLU 37 CB 0.0053 -0.0089 0.0112 540 GLU 37 HB1 0.0064 -0.0036 0.0091 541 GLU 37 HB2 0.0056 -0.0102 0.0129 542 GLU 37 CG 0.0077 -0.0100 0.0169 543 GLU 37 HG1 0.0065 -0.0152 0.0188 544 GLU 37 HG2 0.0079 -0.0081 0.0157 545 GLU 37 CD 0.0116 -0.0066 0.0221 546 GLU 37 OE1 0.0138 -0.0006 0.0215 547 GLU 37 OE2 0.0125 -0.0100 0.0265 548 GLU 37 C 0.0004 -0.0109 0.0031 549 GLU 37 O 0.0005 -0.0060 -0.0009 550 ASN 38 N 0.0009 -0.0084 -0.0002 551 ASN 38 HN -0.0012 0.0009 -0.0070 552 ASN 38 CA 0.0019 -0.0150 0.0039 553 ASN 38 HA 0.0073 -0.0208 0.0139 554 ASN 38 CB 0.0062 -0.0024 0.0047 555 ASN 38 HB1 0.0140 0.0031 0.0135 556 ASN 38 HB2 0.0057 -0.0076 0.0062 557 ASN 38 CG 0.0010 0.0099 -0.0076 558 ASN 38 OD1 -0.0074 0.0070 -0.0183 559 ASN 38 ND2 0.0064 0.0245 -0.0061 560 ASN 38 HD21 0.0030 0.0325 -0.0142 561 ASN 38 HD22 0.0134 0.0271 0.0027 562 ASN 38 C -0.0072 -0.0277 -0.0036 563 ASN 38 O -0.0154 -0.0277 -0.0151 564 HIS 39 N 0.0004 -0.0077 -0.0026 565 HIS 39 HN -0.0018 -0.0076 -0.0049 566 HIS 39 CA 0.0034 -0.0042 -0.0030 567 HIS 39 HA 0.0050 -0.0046 -0.0010 568 HIS 39 CB 0.0057 -0.0021 -0.0027 569 HIS 39 HB1 0.0075 0.0008 -0.0037 570 HIS 39 HB2 0.0040 -0.0022 -0.0043 571 HIS 39 CD2 0.0076 -0.0058 0.0028 572 HIS 39 HD2 0.0053 -0.0074 0.0020 573 HIS 39 CG 0.0081 -0.0035 0.0010 574 HIS 39 NE2 0.0107 -0.0061 0.0061 575 HIS 39 HE2 0.0111 -0.0079 0.0082 576 HIS 39 ND1 0.0114 -0.0022 0.0031 577 HIS 39 HD1 0.0125 -0.0005 0.0025 578 HIS 39 CE1 0.0128 -0.0039 0.0061 579 HIS 39 HE1 0.0155 -0.0036 0.0084 580 HIS 39 C 0.0019 -0.0019 -0.0066 581 HIS 39 O 0.0033 0.0013 -0.0084 582 GLY 40 N -0.0070 0.0011 -0.0188 583 GLY 40 HN -0.0045 0.0169 -0.0242 584 GLY 40 CA -0.0008 -0.0048 -0.0046 585 GLY 40 HA1 -0.0070 -0.0214 -0.0048 586 GLY 40 HA2 0.0010 0.0070 -0.0089 587 GLY 40 C 0.0123 -0.0030 0.0166 588 GLY 40 O 0.0198 0.0121 0.0200 589 GLY 41 N 0.0028 0.0073 0.0008 590 GLY 41 HN 0.0055 0.0115 0.0010 591 GLY 41 CA -0.0046 0.0081 -0.0000 592 GLY 41 HA1 -0.0058 0.0134 -0.0003 593 GLY 41 HA2 -0.0063 0.0066 -0.0002 594 GLY 41 C -0.0089 0.0037 -0.0004 595 GLY 41 O -0.0150 0.0026 -0.0010 596 LYS 42 N -0.0014 -0.0091 0.0040 597 LYS 42 HN -0.0060 -0.0094 0.0055 598 LYS 42 CA -0.0014 -0.0040 0.0002 599 LYS 42 HA 0.0041 -0.0034 -0.0018 600 LYS 42 CB -0.0046 -0.0048 0.0017 601 LYS 42 HB1 -0.0060 -0.0004 -0.0012 602 LYS 42 HB2 -0.0096 -0.0066 0.0044 603 LYS 42 CG 0.0005 -0.0086 0.0031 604 LYS 42 HG1 0.0020 -0.0130 0.0060 605 LYS 42 HG2 0.0054 -0.0066 0.0003 606 LYS 42 CD -0.0022 -0.0088 0.0040 607 LYS 42 HD1 0.0023 -0.0107 0.0042 608 LYS 42 HD2 -0.0037 -0.0042 0.0010 609 LYS 42 CE -0.0084 -0.0121 0.0081 610 LYS 42 HE1 -0.0100 -0.0118 0.0084 611 LYS 42 HE2 -0.0129 -0.0103 0.0080 612 LYS 42 NZ -0.0063 -0.0184 0.0122 613 LYS 42 HZ1 -0.0103 -0.0207 0.0150 614 LYS 42 HZ2 -0.0018 -0.0200 0.0122 615 LYS 42 HZ3 -0.0052 -0.0187 0.0122 616 LYS 42 C -0.0048 0.0013 -0.0029 617 LYS 42 O -0.0099 0.0012 -0.0013 618 VAL 43 N -0.0052 -0.0014 -0.0069 619 VAL 43 HN -0.0052 -0.0012 -0.0091 620 VAL 43 CA -0.0053 -0.0014 -0.0066 621 VAL 43 HA -0.0049 -0.0025 -0.0044 622 VAL 43 CB -0.0046 -0.0029 -0.0092 623 VAL 43 HB -0.0046 -0.0030 -0.0087 624 VAL 43 CG1 -0.0033 -0.0060 -0.0095 625 VAL 43 HG11 -0.0027 -0.0072 -0.0112 626 VAL 43 HG12 -0.0029 -0.0072 -0.0072 627 VAL 43 HG13 -0.0032 -0.0061 -0.0103 628 VAL 43 CG2 -0.0051 -0.0012 -0.0124 629 VAL 43 HG21 -0.0045 -0.0024 -0.0142 630 VAL 43 HG22 -0.0052 -0.0010 -0.0130 631 VAL 43 HG23 -0.0060 0.0010 -0.0123 632 VAL 43 C -0.0065 0.0017 -0.0063 633 VAL 43 O -0.0073 0.0038 -0.0071 634 ALA 44 N -0.0024 0.0005 -0.0029 635 ALA 44 HN -0.0025 -0.0012 -0.0018 636 ALA 44 CA -0.0019 0.0030 -0.0021 637 ALA 44 HA -0.0019 0.0047 -0.0035 638 ALA 44 CB -0.0013 0.0037 0.0008 639 ALA 44 HB1 -0.0012 0.0041 0.0011 640 ALA 44 HB2 -0.0013 0.0020 0.0023 641 ALA 44 HB3 -0.0009 0.0056 0.0014 642 ALA 44 C -0.0021 0.0022 -0.0025 643 ALA 44 O -0.0023 -0.0001 -0.0020 644 LEU 45 N -0.0030 0.0094 -0.0019 645 LEU 45 HN -0.0027 0.0117 -0.0023 646 LEU 45 CA -0.0033 0.0085 -0.0027 647 LEU 45 HA -0.0038 0.0059 -0.0026 648 LEU 45 CB -0.0040 0.0099 -0.0061 649 LEU 45 HB1 -0.0042 0.0094 -0.0065 650 LEU 45 HB2 -0.0035 0.0125 -0.0061 651 LEU 45 CG -0.0049 0.0086 -0.0088 652 LEU 45 HG -0.0047 0.0092 -0.0084 653 LEU 45 CD1 -0.0055 0.0104 -0.0119 654 LEU 45 HD11 -0.0061 0.0095 -0.0139 655 LEU 45 HD12 -0.0049 0.0131 -0.0118 656 LEU 45 HD13 -0.0057 0.0101 -0.0125 657 LEU 45 CD2 -0.0057 0.0050 -0.0091 658 LEU 45 HD21 -0.0056 0.0042 -0.0083 659 LEU 45 HD22 -0.0055 0.0037 -0.0075 660 LEU 45 HD23 -0.0064 0.0043 -0.0115 661 LEU 45 C -0.0025 0.0098 -0.0003 662 LEU 45 O -0.0018 0.0127 0.0002 663 LYS 46 N 0.0008 0.0147 0.0007 664 LYS 46 HN 0.0006 0.0098 -0.0000 665 LYS 46 CA 0.0025 0.0161 0.0046 666 LYS 46 HA 0.0021 0.0214 0.0041 667 LYS 46 CB 0.0058 0.0149 0.0114 668 LYS 46 HB1 0.0063 0.0175 0.0126 669 LYS 46 HB2 0.0070 0.0173 0.0141 670 LYS 46 CG 0.0069 0.0075 0.0133 671 LYS 46 HG1 0.0066 0.0049 0.0126 672 LYS 46 HG2 0.0056 0.0048 0.0104 673 LYS 46 CD 0.0100 0.0071 0.0201 674 LYS 46 HD1 0.0101 0.0092 0.0204 675 LYS 46 HD2 0.0112 0.0106 0.0227 676 LYS 46 CE 0.0116 0.0001 0.0229 677 LYS 46 HE1 0.0117 -0.0019 0.0230 678 LYS 46 HE2 0.0104 -0.0035 0.0202 679 LYS 46 NZ 0.0145 0.0006 0.0292 680 LYS 46 HZ1 0.0144 0.0006 0.0290 681 LYS 46 HZ2 0.0159 -0.0035 0.0318 682 LYS 46 HZ3 0.0154 0.0051 0.0313 683 LYS 46 C 0.0016 0.0122 0.0023 684 LYS 46 O 0.0003 0.0069 -0.0007 685 THR 47 N -0.0021 0.0157 0.0039 686 THR 47 HN -0.0022 0.0161 0.0042 687 THR 47 CA -0.0027 0.0123 0.0019 688 THR 47 HA -0.0043 0.0122 0.0021 689 THR 47 CB -0.0047 0.0104 0.0010 690 THR 47 HB -0.0055 0.0080 -0.0003 691 THR 47 OG1 -0.0027 0.0101 0.0005 692 THR 47 HG1 -0.0044 0.0091 0.0002 693 THR 47 CG2 -0.0082 0.0119 0.0025 694 THR 47 HG21 -0.0076 0.0142 0.0038 695 THR 47 HG22 -0.0099 0.0104 0.0018 696 THR 47 HG23 -0.0099 0.0122 0.0029 697 THR 47 C 0.0009 0.0109 0.0005 698 THR 47 O 0.0039 0.0123 0.0009 699 HIS 48 N 0.0002 0.0077 -0.0025 700 HIS 48 HN -0.0046 0.0062 -0.0039 701 HIS 48 CA 0.0068 0.0052 -0.0101 702 HIS 48 HA 0.0141 0.0073 -0.0084 703 HIS 48 CB 0.0045 0.0008 -0.0180 704 HIS 48 HB1 0.0055 0.0018 -0.0162 705 HIS 48 HB2 0.0096 -0.0012 -0.0237 706 HIS 48 CD2 -0.0088 -0.0068 -0.0282 707 HIS 48 HD2 -0.0047 -0.0089 -0.0339 708 HIS 48 CG -0.0057 -0.0024 -0.0206 709 HIS 48 NE2 -0.0187 -0.0081 -0.0273 710 HIS 48 HE2 -0.0232 -0.0113 -0.0319 711 HIS 48 ND1 -0.0134 -0.0011 -0.0151 712 HIS 48 HD1 -0.0132 0.0019 -0.0092 713 HIS 48 CE1 -0.0211 -0.0046 -0.0194 714 HIS 48 HE1 -0.0285 -0.0048 -0.0170 715 HIS 48 C 0.0063 0.0037 -0.0127 716 HIS 48 O 0.0133 0.0032 -0.0163 717 CYS 49 N 0.0093 0.0067 -0.0070 718 CYS 49 HN 0.0034 0.0092 -0.0079 719 CYS 49 CA 0.0123 0.0082 -0.0045 720 CYS 49 HA 0.0177 0.0037 -0.0054 721 CYS 49 CB 0.0049 0.0090 -0.0073 722 CYS 49 HB1 -0.0003 0.0139 -0.0060 723 CYS 49 HB2 0.0024 0.0040 -0.0123 724 CYS 49 SG 0.0080 0.0096 -0.0054 725 CYS 49 HG1 0.0128 0.0143 0.0004 726 CYS 49 C 0.0153 0.0155 0.0024 727 CYS 49 O 0.0180 0.0180 0.0056 728 GLY 50 N 0.0097 0.0180 0.0091 729 GLY 50 HN 0.0100 0.0181 0.0091 730 GLY 50 CA 0.0096 0.0177 0.0094 731 GLY 50 HA1 0.0093 0.0177 0.0094 732 GLY 50 HA2 0.0098 0.0175 0.0094 733 GLY 50 C 0.0094 0.0174 0.0095 734 GLY 50 O 0.0092 0.0172 0.0097 735 LYS 51 N 0.0083 0.0116 0.0010 736 LYS 51 HN 0.0073 0.0106 0.0019 737 LYS 51 CA 0.0085 0.0121 0.0007 738 LYS 51 HA 0.0099 0.0127 -0.0002 739 LYS 51 CB 0.0085 0.0102 0.0015 740 LYS 51 HB1 0.0088 0.0107 0.0012 741 LYS 51 HB2 0.0069 0.0098 0.0024 742 LYS 51 CG 0.0101 0.0083 0.0016 743 LYS 51 HG1 0.0097 0.0070 0.0023 744 LYS 51 HG2 0.0099 0.0079 0.0018 745 LYS 51 CD 0.0123 0.0086 0.0005 746 LYS 51 HD1 0.0126 0.0100 -0.0002 747 LYS 51 HD2 0.0124 0.0089 0.0003 748 LYS 51 CE 0.0138 0.0067 0.0006 749 LYS 51 HE1 0.0134 0.0053 0.0014 750 LYS 51 HE2 0.0139 0.0067 0.0005 751 LYS 51 NZ 0.0159 0.0068 -0.0004 752 LYS 51 HZ1 0.0170 0.0056 -0.0004 753 LYS 51 HZ2 0.0159 0.0067 -0.0003 754 LYS 51 HZ3 0.0164 0.0083 -0.0012 755 LYS 51 C 0.0067 0.0138 0.0008 756 LYS 51 O 0.0050 0.0138 0.0016 757 TYR 52 N 0.0066 0.0074 0.0050 758 TYR 52 HN 0.0069 0.0081 0.0057 759 TYR 52 CA 0.0062 0.0076 0.0046 760 TYR 52 HA 0.0062 0.0066 0.0041 761 TYR 52 CB 0.0068 0.0081 0.0056 762 TYR 52 HB1 0.0065 0.0085 0.0053 763 TYR 52 HB2 0.0070 0.0090 0.0062 764 TYR 52 CG 0.0076 0.0070 0.0063 765 TYR 52 CD1 0.0083 0.0065 0.0071 766 TYR 52 HD1 0.0082 0.0070 0.0072 767 TYR 52 CE1 0.0090 0.0055 0.0078 768 TYR 52 HE1 0.0095 0.0051 0.0084 769 TYR 52 CZ 0.0090 0.0048 0.0077 770 TYR 52 OH 0.0098 0.0037 0.0083 771 TYR 52 HH 0.0097 0.0035 0.0082 772 TYR 52 CD2 0.0077 0.0063 0.0063 773 TYR 52 HD2 0.0072 0.0067 0.0057 774 TYR 52 CE2 0.0084 0.0053 0.0069 775 TYR 52 HE2 0.0085 0.0048 0.0068 776 TYR 52 C 0.0054 0.0087 0.0037 777 TYR 52 O 0.0052 0.0098 0.0039 778 LEU 53 N -0.0038 0.0099 0.0011 779 LEU 53 HN -0.0040 0.0107 0.0013 780 LEU 53 CA -0.0035 0.0092 0.0020 781 LEU 53 HA -0.0032 0.0085 0.0022 782 LEU 53 CB -0.0035 0.0098 0.0032 783 LEU 53 HB1 -0.0032 0.0093 0.0038 784 LEU 53 HB2 -0.0037 0.0107 0.0031 785 LEU 53 CG -0.0034 0.0100 0.0040 786 LEU 53 HG -0.0032 0.0092 0.0040 787 LEU 53 CD1 -0.0037 0.0109 0.0035 788 LEU 53 HD11 -0.0037 0.0110 0.0042 789 LEU 53 HD12 -0.0038 0.0107 0.0026 790 LEU 53 HD13 -0.0040 0.0118 0.0035 791 LEU 53 CD2 -0.0033 0.0104 0.0053 792 LEU 53 HD21 -0.0031 0.0097 0.0057 793 LEU 53 HD22 -0.0033 0.0105 0.0059 794 LEU 53 HD23 -0.0036 0.0112 0.0053 795 LEU 53 C -0.0034 0.0087 0.0015 796 LEU 53 O -0.0037 0.0092 0.0009 797 SER 54 N -0.0031 -0.0019 0.0032 798 SER 54 HN -0.0032 -0.0026 0.0035 799 SER 54 CA -0.0033 -0.0033 0.0034 800 SER 54 HA -0.0031 -0.0024 0.0036 801 SER 54 CB -0.0041 -0.0047 0.0016 802 SER 54 HB1 -0.0043 -0.0057 0.0014 803 SER 54 HB2 -0.0043 -0.0037 0.0002 804 SER 54 OG -0.0043 -0.0060 0.0017 805 SER 54 HG1 -0.0042 -0.0051 0.0013 806 SER 54 C -0.0030 -0.0047 0.0053 807 SER 54 O -0.0029 -0.0051 0.0060 808 ILE 55 N -0.0083 -0.0010 0.0005 809 ILE 55 HN -0.0094 -0.0025 0.0001 810 ILE 55 CA -0.0057 -0.0009 -0.0006 811 ILE 55 HA -0.0046 0.0008 -0.0001 812 ILE 55 CB -0.0045 -0.0028 -0.0021 813 ILE 55 HB -0.0053 -0.0045 -0.0028 814 ILE 55 CG2 -0.0053 -0.0029 -0.0018 815 ILE 55 HG21 -0.0047 -0.0011 -0.0011 816 ILE 55 HG22 -0.0073 -0.0035 -0.0013 817 ILE 55 HG23 -0.0044 -0.0042 -0.0029 818 ILE 55 CG1 -0.0017 -0.0024 -0.0031 819 ILE 55 HG11 -0.0011 -0.0029 -0.0036 820 ILE 55 HG12 -0.0010 -0.0035 -0.0040 821 ILE 55 CD -0.0003 0.0002 -0.0022 822 ILE 55 HD1 -0.0007 0.0014 -0.0014 823 ILE 55 HD2 -0.0009 0.0008 -0.0016 824 ILE 55 HD3 0.0017 0.0003 -0.0030 825 ILE 55 C -0.0054 -0.0009 -0.0007 826 ILE 55 O -0.0034 -0.0008 -0.0015 827 GLY 56 N -0.0094 -0.0125 0.0059 828 GLY 56 HN -0.0091 -0.0119 0.0054 829 GLY 56 CA -0.0106 -0.0133 0.0057 830 GLY 56 HA1 -0.0110 -0.0132 0.0050 831 GLY 56 HA2 -0.0108 -0.0132 0.0053 832 GLY 56 C -0.0111 -0.0143 0.0067 833 GLY 56 O -0.0106 -0.0146 0.0078 834 ASP 57 N -0.0152 -0.0035 0.0043 835 ASP 57 HN -0.0117 -0.0090 0.0051 836 ASP 57 CA -0.0207 0.0100 0.0043 837 ASP 57 HA -0.0197 0.0170 0.0065 838 ASP 57 CB -0.0145 0.0147 0.0090 839 ASP 57 HB1 -0.0185 0.0250 0.0091 840 ASP 57 HB2 -0.0155 0.0074 0.0068 841 ASP 57 CG -0.0011 0.0155 0.0171 842 ASP 57 OD1 0.0033 0.0149 0.0196 843 ASP 57 OD2 0.0046 0.0173 0.0210 844 ASP 57 C -0.0342 0.0104 -0.0036 845 ASP 57 O -0.0397 0.0201 -0.0046 846 HIS 58 N 0.0416 0.0406 -0.0094 847 HIS 58 HN 0.0494 0.0364 -0.0108 848 HIS 58 CA 0.0190 0.0306 -0.0114 849 HIS 58 HA 0.0083 0.0431 -0.0076 850 HIS 58 CB 0.0215 0.0110 -0.0167 851 HIS 58 HB1 0.0351 -0.0004 -0.0202 852 HIS 58 HB2 0.0276 0.0181 -0.0150 853 HIS 58 CD2 -0.0025 -0.0256 -0.0258 854 HIS 58 HD2 0.0099 -0.0384 -0.0296 855 HIS 58 CG 0.0003 -0.0030 -0.0198 856 HIS 58 NE2 -0.0250 -0.0298 -0.0262 857 HIS 58 HE2 -0.0324 -0.0448 -0.0300 858 HIS 58 ND1 -0.0201 0.0070 -0.0164 859 HIS 58 HD1 -0.0230 0.0232 -0.0120 860 HIS 58 CE1 -0.0348 -0.0096 -0.0204 861 HIS 58 HE1 -0.0523 -0.0078 -0.0193 862 HIS 58 C 0.0060 0.0229 -0.0130 863 HIS 58 O 0.0149 0.0228 -0.0133 864 LYS 59 N 0.0049 0.0202 0.0080 865 LYS 59 HN 0.0030 0.0235 0.0077 866 LYS 59 CA 0.0105 0.0189 0.0034 867 LYS 59 HA 0.0126 0.0139 0.0047 868 LYS 59 CB 0.0127 0.0219 -0.0009 869 LYS 59 HB1 0.0169 0.0211 -0.0045 870 LYS 59 HB2 0.0104 0.0270 -0.0021 871 LYS 59 CG 0.0126 0.0195 0.0008 872 LYS 59 HG1 0.0146 0.0216 -0.0026 873 LYS 59 HG2 0.0084 0.0212 0.0039 874 LYS 59 CD 0.0150 0.0124 0.0033 875 LYS 59 HD1 0.0151 0.0112 0.0040 876 LYS 59 HD2 0.0122 0.0106 0.0073 877 LYS 59 CE 0.0206 0.0088 0.0002 878 LYS 59 HE1 0.0219 0.0038 0.0023 879 LYS 59 HE2 0.0205 0.0094 -0.0001 880 LYS 59 NZ 0.0245 0.0111 -0.0053 881 LYS 59 HZ1 0.0245 0.0109 -0.0052 882 LYS 59 HZ2 0.0235 0.0156 -0.0074 883 LYS 59 HZ3 0.0283 0.0083 -0.0072 884 LYS 59 C 0.0119 0.0207 0.0007 885 LYS 59 O 0.0163 0.0175 -0.0014 886 GLN 60 N 0.0017 0.0010 0.0014 887 GLN 60 HN 0.0026 -0.0005 0.0004 888 GLN 60 CA 0.0015 0.0011 0.0018 889 GLN 60 HA 0.0005 0.0023 0.0036 890 GLN 60 CB 0.0022 -0.0019 0.0023 891 GLN 60 HB1 0.0019 -0.0016 0.0027 892 GLN 60 HB2 0.0033 -0.0029 0.0004 893 GLN 60 CG 0.0017 -0.0039 0.0046 894 GLN 60 HG1 0.0020 -0.0058 0.0051 895 GLN 60 HG2 0.0022 -0.0047 0.0039 896 GLN 60 CD 0.0002 -0.0025 0.0072 897 GLN 60 OE1 -0.0002 -0.0018 0.0077 898 GLN 60 NE2 -0.0006 -0.0022 0.0089 899 GLN 60 HE21 -0.0003 -0.0026 0.0084 900 GLN 60 HE22 -0.0016 -0.0015 0.0107 901 GLN 60 C 0.0022 0.0028 -0.0006 902 GLN 60 O 0.0032 0.0025 -0.0029 903 VAL 61 N 0.0007 -0.0017 0.0096 904 VAL 61 HN 0.0013 -0.0011 0.0106 905 VAL 61 CA -0.0004 -0.0007 0.0087 906 VAL 61 HA -0.0006 -0.0014 0.0081 907 VAL 61 CB -0.0004 0.0009 0.0093 908 VAL 61 HB -0.0001 0.0015 0.0100 909 VAL 61 CG1 -0.0016 0.0020 0.0083 910 VAL 61 HG11 -0.0020 0.0014 0.0076 911 VAL 61 HG12 -0.0016 0.0032 0.0088 912 VAL 61 HG13 -0.0021 0.0023 0.0078 913 VAL 61 CG2 0.0003 0.0008 0.0101 914 VAL 61 HG21 0.0002 0.0020 0.0106 915 VAL 61 HG22 -0.0000 0.0001 0.0095 916 VAL 61 HG23 0.0011 0.0001 0.0109 917 VAL 61 C -0.0013 -0.0006 0.0076 918 VAL 61 O -0.0011 -0.0003 0.0079 919 TYR 62 N -0.0057 -0.0085 0.0200 920 TYR 62 HN -0.0059 -0.0037 0.0198 921 TYR 62 CA -0.0041 -0.0120 0.0108 922 TYR 62 HA -0.0039 -0.0183 0.0119 923 TYR 62 CB -0.0031 -0.0151 0.0046 924 TYR 62 HB1 -0.0030 -0.0086 0.0016 925 TYR 62 HB2 -0.0035 -0.0192 0.0093 926 TYR 62 CG -0.0015 -0.0217 -0.0035 927 TYR 62 CD1 -0.0003 -0.0184 -0.0131 928 TYR 62 HD1 -0.0005 -0.0108 -0.0149 929 TYR 62 CE1 0.0011 -0.0247 -0.0204 930 TYR 62 HE1 0.0020 -0.0221 -0.0278 931 TYR 62 CZ 0.0013 -0.0344 -0.0182 932 TYR 62 OH 0.0027 -0.0405 -0.0257 933 TYR 62 HH 0.0026 -0.0456 -0.0227 934 TYR 62 CD2 -0.0013 -0.0316 -0.0014 935 TYR 62 HD2 -0.0022 -0.0343 0.0060 936 TYR 62 CE2 0.0001 -0.0379 -0.0087 937 TYR 62 HE2 0.0003 -0.0454 -0.0070 938 TYR 62 C -0.0039 -0.0042 0.0059 939 TYR 62 O -0.0045 0.0046 0.0072 940 LEU 63 N -0.0044 -0.0035 0.0051 941 LEU 63 HN -0.0043 -0.0064 0.0048 942 LEU 63 CA -0.0042 -0.0008 0.0028 943 LEU 63 HA -0.0043 0.0023 0.0033 944 LEU 63 CB -0.0043 -0.0011 0.0039 945 LEU 63 HB1 -0.0041 -0.0036 0.0024 946 LEU 63 HB2 -0.0046 -0.0017 0.0072 947 LEU 63 CG -0.0043 0.0028 0.0030 948 LEU 63 HG -0.0040 0.0038 -0.0000 949 LEU 63 CD1 -0.0046 0.0062 0.0059 950 LEU 63 HD11 -0.0049 0.0052 0.0091 951 LEU 63 HD12 -0.0046 0.0089 0.0052 952 LEU 63 HD13 -0.0046 0.0070 0.0058 953 LEU 63 CD2 -0.0042 0.0018 0.0031 954 LEU 63 HD21 -0.0043 0.0046 0.0027 955 LEU 63 HD22 -0.0045 0.0004 0.0060 956 LEU 63 HD23 -0.0040 -0.0004 0.0008 957 LEU 63 C -0.0037 -0.0018 -0.0015 958 LEU 63 O -0.0035 -0.0051 -0.0029 959 SER 64 N 0.0087 -0.0054 -0.0021 960 SER 64 HN 0.0081 -0.0028 -0.0011 961 SER 64 CA 0.0087 -0.0063 -0.0065 962 SER 64 HA 0.0094 -0.0095 -0.0071 963 SER 64 CB 0.0083 -0.0050 -0.0077 964 SER 64 HB1 0.0075 -0.0019 -0.0068 965 SER 64 HB2 0.0088 -0.0069 -0.0059 966 SER 64 OG 0.0082 -0.0056 -0.0120 967 SER 64 HG1 0.0075 -0.0032 -0.0135 968 SER 64 C 0.0080 -0.0042 -0.0093 969 SER 64 O 0.0072 -0.0009 -0.0083 970 HIS 65 N 0.0353 -0.0109 -0.0084 971 HIS 65 HN 0.0454 -0.0197 -0.0164 972 HIS 65 CA 0.0187 -0.0034 -0.0087 973 HIS 65 HA 0.0112 0.0063 0.0032 974 HIS 65 CB 0.0254 -0.0053 -0.0065 975 HIS 65 HB1 0.0327 -0.0151 -0.0188 976 HIS 65 HB2 0.0367 -0.0033 0.0072 977 HIS 65 CD2 -0.0003 -0.0002 -0.0193 978 HIS 65 HD2 0.0034 -0.0093 -0.0333 979 HIS 65 CG 0.0083 0.0028 -0.0060 980 HIS 65 NE2 -0.0158 0.0107 -0.0121 981 HIS 65 HE2 -0.0256 0.0117 -0.0188 982 HIS 65 ND1 -0.0014 0.0156 0.0098 983 HIS 65 HD1 0.0020 0.0203 0.0217 984 HIS 65 CE1 -0.0159 0.0199 0.0054 985 HIS 65 HE1 -0.0271 0.0297 0.0142 986 HIS 65 C 0.0037 -0.0064 -0.0276 987 HIS 65 O 0.0082 -0.0168 -0.0435 988 HIS 66 N 0.0139 -0.0070 -0.0061 989 HIS 66 HN 0.0096 -0.0087 0.0025 990 HIS 66 CA 0.0029 -0.0132 -0.0162 991 HIS 66 HA -0.0080 -0.0184 -0.0114 992 HIS 66 CB 0.0026 -0.0132 -0.0133 993 HIS 66 HB1 -0.0067 -0.0183 -0.0206 994 HIS 66 HB2 0.0134 -0.0080 -0.0177 995 HIS 66 CD2 0.0044 -0.0106 0.0137 996 HIS 66 HD2 0.0116 -0.0073 0.0095 997 HIS 66 CG -0.0005 -0.0136 0.0048 998 HIS 66 NE2 -0.0020 -0.0129 0.0297 999 HIS 66 HE2 -0.0015 -0.0121 0.0389 1000 HIS 66 ND1 -0.0097 -0.0177 0.0149 1001 HIS 66 HD1 -0.0150 -0.0206 0.0118 1002 HIS 66 CE1 -0.0104 -0.0171 0.0297 1003 HIS 66 HE1 -0.0169 -0.0197 0.0407 1004 HIS 66 C 0.0035 -0.0140 -0.0348 1005 HIS 66 O 0.0131 -0.0095 -0.0405 1006 LEU 67 N 0.0096 -0.0133 -0.0057 1007 LEU 67 HN 0.0112 -0.0117 -0.0075 1008 LEU 67 CA 0.0084 -0.0115 -0.0027 1009 LEU 67 HA 0.0069 -0.0126 -0.0006 1010 LEU 67 CB 0.0094 -0.0073 -0.0021 1011 LEU 67 HB1 0.0109 -0.0060 -0.0042 1012 LEU 67 HB2 0.0096 -0.0069 -0.0024 1013 LEU 67 CG 0.0080 -0.0051 0.0013 1014 LEU 67 HG 0.0082 -0.0048 0.0012 1015 LEU 67 CD1 0.0057 -0.0070 0.0043 1016 LEU 67 HD11 0.0049 -0.0096 0.0043 1017 LEU 67 HD12 0.0055 -0.0077 0.0043 1018 LEU 67 HD13 0.0049 -0.0052 0.0067 1019 LEU 67 CD2 0.0089 -0.0012 0.0018 1020 LEU 67 HD21 0.0080 0.0005 0.0041 1021 LEU 67 HD22 0.0088 -0.0014 0.0019 1022 LEU 67 HD23 0.0106 0.0003 -0.0003 1023 LEU 67 C 0.0079 -0.0126 -0.0024 1024 LEU 67 O 0.0093 -0.0115 -0.0042 1025 HIS 68 N 0.0110 -0.0182 0.0025 1026 HIS 68 HN 0.0095 -0.0197 0.0033 1027 HIS 68 CA 0.0106 -0.0172 0.0028 1028 HIS 68 HA 0.0126 -0.0175 0.0016 1029 HIS 68 CB 0.0084 -0.0194 0.0040 1030 HIS 68 HB1 0.0063 -0.0192 0.0052 1031 HIS 68 HB2 0.0090 -0.0220 0.0034 1032 HIS 68 CD2 0.0058 -0.0185 0.0056 1033 HIS 68 HD2 0.0036 -0.0187 0.0069 1034 HIS 68 CG 0.0081 -0.0188 0.0042 1035 HIS 68 NE2 0.0068 -0.0179 0.0050 1036 HIS 68 HE2 0.0057 -0.0172 0.0057 1037 HIS 68 ND1 0.0105 -0.0183 0.0028 1038 HIS 68 HD1 0.0125 -0.0184 0.0016 1039 HIS 68 CE1 0.0096 -0.0178 0.0033 1040 HIS 68 HE1 0.0109 -0.0173 0.0026 1041 HIS 68 C 0.0099 -0.0137 0.0035 1042 HIS 68 O 0.0084 -0.0123 0.0044 1043 GLY 69 N -0.0051 -0.0243 0.0208 1044 GLY 69 HN -0.0041 -0.0190 0.0242 1045 GLY 69 CA -0.0054 -0.0251 0.0197 1046 GLY 69 HA1 -0.0041 -0.0205 0.0242 1047 GLY 69 HA2 -0.0051 -0.0320 0.0207 1048 GLY 69 C -0.0079 -0.0225 0.0108 1049 GLY 69 O -0.0090 -0.0271 0.0069 1050 ASP 70 N 0.0004 -0.0066 -0.0004 1051 ASP 70 HN 0.0119 -0.0098 0.0042 1052 ASP 70 CA -0.0051 -0.0036 -0.0050 1053 ASP 70 HA -0.0109 0.0033 -0.0155 1054 ASP 70 CB 0.0101 -0.0028 -0.0065 1055 ASP 70 HB1 0.0064 0.0007 -0.0118 1056 ASP 70 HB2 0.0156 -0.0097 0.0040 1057 ASP 70 CG 0.0237 0.0031 -0.0157 1058 ASP 70 OD1 0.0203 0.0115 -0.0286 1059 ASP 70 OD2 0.0373 -0.0011 -0.0096 1060 ASP 70 C -0.0183 -0.0100 0.0051 1061 ASP 70 O -0.0189 -0.0183 0.0178 1062 HIS 71 N -0.0104 -0.0069 0.0041 1063 HIS 71 HN -0.0108 -0.0050 0.0051 1064 HIS 71 CA -0.0120 -0.0083 0.0024 1065 HIS 71 HA -0.0119 -0.0078 0.0028 1066 HIS 71 CB -0.0150 -0.0075 0.0015 1067 HIS 71 HB1 -0.0163 -0.0084 0.0003 1068 HIS 71 HB2 -0.0152 -0.0080 0.0011 1069 HIS 71 CD2 -0.0170 -0.0029 0.0035 1070 HIS 71 HD2 -0.0172 -0.0031 0.0033 1071 HIS 71 CG -0.0160 -0.0047 0.0028 1072 HIS 71 NE2 -0.0176 -0.0006 0.0046 1073 HIS 71 HE2 -0.0183 0.0011 0.0053 1074 HIS 71 ND1 -0.0161 -0.0037 0.0034 1075 HIS 71 HD1 -0.0155 -0.0046 0.0031 1076 HIS 71 CE1 -0.0170 -0.0012 0.0045 1077 HIS 71 HE1 -0.0174 0.0002 0.0053 1078 HIS 71 C -0.0111 -0.0112 0.0011 1079 HIS 71 O -0.0125 -0.0125 -0.0004 1080 SER 72 N -0.0059 -0.0052 0.0035 1081 SER 72 HN -0.0058 -0.0045 0.0027 1082 SER 72 CA -0.0061 -0.0051 0.0038 1083 SER 72 HA -0.0063 -0.0057 0.0048 1084 SER 72 CB -0.0053 -0.0057 0.0026 1085 SER 72 HB1 -0.0055 -0.0056 0.0029 1086 SER 72 HB2 -0.0051 -0.0050 0.0015 1087 SER 72 OG -0.0047 -0.0072 0.0024 1088 SER 72 HG1 -0.0044 -0.0072 0.0018 1089 SER 72 C -0.0068 -0.0034 0.0038 1090 SER 72 O -0.0069 -0.0031 0.0038 1091 LEU 73 N -0.0134 -0.0007 -0.0007 1092 LEU 73 HN -0.0139 -0.0013 0.0003 1093 LEU 73 CA -0.0107 -0.0015 -0.0006 1094 LEU 73 HA -0.0103 -0.0008 -0.0018 1095 LEU 73 CB -0.0104 -0.0032 0.0017 1096 LEU 73 HB1 -0.0085 -0.0037 0.0016 1097 LEU 73 HB2 -0.0103 -0.0040 0.0028 1098 LEU 73 CG -0.0125 -0.0035 0.0029 1099 LEU 73 HG -0.0145 -0.0031 0.0031 1100 LEU 73 CD1 -0.0120 -0.0053 0.0052 1101 LEU 73 HD11 -0.0136 -0.0055 0.0062 1102 LEU 73 HD12 -0.0118 -0.0060 0.0062 1103 LEU 73 HD13 -0.0101 -0.0057 0.0051 1104 LEU 73 CD2 -0.0128 -0.0025 0.0016 1105 LEU 73 HD21 -0.0133 -0.0012 -0.0001 1106 LEU 73 HD22 -0.0144 -0.0027 0.0025 1107 LEU 73 HD23 -0.0110 -0.0029 0.0014 1108 LEU 73 C -0.0087 -0.0016 -0.0014 1109 LEU 73 O -0.0090 -0.0020 -0.0006 1110 PHE 74 N -0.0078 0.0006 -0.0083 1111 PHE 74 HN -0.0090 0.0010 -0.0077 1112 PHE 74 CA -0.0066 0.0009 -0.0084 1113 PHE 74 HA -0.0054 0.0004 -0.0091 1114 PHE 74 CB -0.0061 0.0024 -0.0070 1115 PHE 74 HB1 -0.0053 0.0026 -0.0070 1116 PHE 74 HB2 -0.0073 0.0028 -0.0063 1117 PHE 74 CG -0.0050 0.0031 -0.0067 1118 PHE 74 CD1 -0.0058 0.0036 -0.0060 1119 PHE 74 HD1 -0.0072 0.0035 -0.0057 1120 PHE 74 CE1 -0.0047 0.0043 -0.0056 1121 PHE 74 HE1 -0.0054 0.0047 -0.0050 1122 PHE 74 CZ -0.0028 0.0045 -0.0058 1123 PHE 74 HZ -0.0020 0.0050 -0.0055 1124 PHE 74 CD2 -0.0031 0.0033 -0.0069 1125 PHE 74 HD2 -0.0024 0.0029 -0.0075 1126 PHE 74 CE2 -0.0020 0.0040 -0.0065 1127 PHE 74 HE2 -0.0006 0.0041 -0.0068 1128 PHE 74 C -0.0073 0.0002 -0.0088 1129 PHE 74 O -0.0090 -0.0002 -0.0088 1130 HIS 75 N -0.0022 -0.0019 -0.0170 1131 HIS 75 HN -0.0043 -0.0032 -0.0164 1132 HIS 75 CA 0.0008 0.0001 -0.0152 1133 HIS 75 HA 0.0030 0.0015 -0.0164 1134 HIS 75 CB 0.0007 0.0002 -0.0106 1135 HIS 75 HB1 -0.0016 -0.0012 -0.0094 1136 HIS 75 HB2 0.0003 -0.0000 -0.0102 1137 HIS 75 CD2 0.0066 0.0040 -0.0092 1138 HIS 75 HD2 0.0076 0.0046 -0.0120 1139 HIS 75 CG 0.0036 0.0022 -0.0082 1140 HIS 75 NE2 0.0082 0.0052 -0.0056 1141 HIS 75 HE2 0.0104 0.0067 -0.0053 1142 HIS 75 ND1 0.0034 0.0022 -0.0042 1143 HIS 75 HD1 0.0015 0.0010 -0.0026 1144 HIS 75 CE1 0.0062 0.0040 -0.0027 1145 HIS 75 HE1 0.0069 0.0046 0.0004 1146 HIS 75 C 0.0013 0.0004 -0.0160 1147 HIS 75 O -0.0009 -0.0010 -0.0152 1148 LEU 76 N -0.0022 0.0001 -0.0207 1149 LEU 76 HN -0.0015 0.0004 -0.0208 1150 LEU 76 CA -0.0022 -0.0001 -0.0211 1151 LEU 76 HA -0.0030 -0.0006 -0.0212 1152 LEU 76 CB -0.0014 -0.0001 -0.0221 1153 LEU 76 HB1 -0.0014 -0.0002 -0.0224 1154 LEU 76 HB2 -0.0006 0.0005 -0.0219 1155 LEU 76 CG -0.0014 -0.0005 -0.0230 1156 LEU 76 HG -0.0014 -0.0003 -0.0227 1157 LEU 76 CD1 -0.0005 -0.0003 -0.0240 1158 LEU 76 HD11 -0.0004 -0.0005 -0.0243 1159 LEU 76 HD12 -0.0005 -0.0007 -0.0246 1160 LEU 76 HD13 0.0002 0.0002 -0.0237 1161 LEU 76 CD2 -0.0024 -0.0012 -0.0235 1162 LEU 76 HD21 -0.0031 -0.0013 -0.0228 1163 LEU 76 HD22 -0.0024 -0.0015 -0.0241 1164 LEU 76 HD23 -0.0025 -0.0014 -0.0238 1165 LEU 76 C -0.0019 0.0005 -0.0202 1166 LEU 76 O -0.0011 0.0010 -0.0199 1167 GLU 77 N -0.0044 -0.0025 -0.0109 1168 GLU 77 HN -0.0059 -0.0049 -0.0111 1169 GLU 77 CA -0.0045 -0.0003 -0.0076 1170 GLU 77 HA -0.0031 0.0022 -0.0075 1171 GLU 77 CB -0.0068 -0.0014 -0.0043 1172 GLU 77 HB1 -0.0068 0.0003 -0.0019 1173 GLU 77 HB2 -0.0084 -0.0039 -0.0043 1174 GLU 77 CG -0.0068 -0.0014 -0.0042 1175 GLU 77 HG1 -0.0074 -0.0037 -0.0060 1176 GLU 77 HG2 -0.0050 0.0008 -0.0053 1177 GLU 77 CD -0.0083 -0.0011 -0.0006 1178 GLU 77 OE1 -0.0105 -0.0034 0.0009 1179 GLU 77 OE2 -0.0073 0.0014 0.0007 1180 GLU 77 C -0.0045 -0.0002 -0.0077 1181 GLU 77 O -0.0060 -0.0026 -0.0077 1182 HIS 78 N -0.0059 0.0065 -0.0147 1183 HIS 78 HN -0.0061 0.0093 -0.0168 1184 HIS 78 CA -0.0067 0.0087 -0.0120 1185 HIS 78 HA -0.0063 0.0052 -0.0108 1186 HIS 78 CB -0.0069 0.0131 -0.0160 1187 HIS 78 HB1 -0.0077 0.0157 -0.0135 1188 HIS 78 HB2 -0.0071 0.0161 -0.0180 1189 HIS 78 CD2 -0.0046 0.0094 -0.0263 1190 HIS 78 HD2 -0.0045 0.0106 -0.0288 1191 HIS 78 CG -0.0056 0.0101 -0.0206 1192 HIS 78 NE2 -0.0038 0.0068 -0.0289 1193 HIS 78 HE2 -0.0030 0.0057 -0.0330 1194 HIS 78 ND1 -0.0054 0.0081 -0.0196 1195 HIS 78 HD1 -0.0060 0.0080 -0.0159 1196 HIS 78 CE1 -0.0043 0.0061 -0.0248 1197 HIS 78 HE1 -0.0039 0.0041 -0.0253 1198 HIS 78 C -0.0081 0.0116 -0.0065 1199 HIS 78 O -0.0087 0.0153 -0.0064 1200 HIS 79 N -0.0079 0.0146 -0.0011 1201 HIS 79 HN -0.0121 0.0218 -0.0048 1202 HIS 79 CA 0.0080 0.0160 0.0006 1203 HIS 79 HA 0.0106 0.0111 0.0030 1204 HIS 79 CB 0.0175 0.0099 0.0046 1205 HIS 79 HB1 0.0294 0.0127 0.0051 1206 HIS 79 HB2 0.0140 0.0141 0.0023 1207 HIS 79 CD2 0.0117 -0.0137 0.0138 1208 HIS 79 HD2 0.0066 -0.0109 0.0119 1209 HIS 79 CG 0.0164 -0.0055 0.0110 1210 HIS 79 NE2 0.0152 -0.0268 0.0199 1211 HIS 79 HE2 0.0133 -0.0353 0.0233 1212 HIS 79 ND1 0.0231 -0.0130 0.0152 1213 HIS 79 HD1 0.0278 -0.0096 0.0144 1214 HIS 79 CE1 0.0220 -0.0258 0.0205 1215 HIS 79 HE1 0.0261 -0.0347 0.0248 1216 HIS 79 C 0.0132 0.0309 -0.0050 1217 HIS 79 O 0.0121 0.0385 -0.0084 1218 GLY 80 N -0.0199 -0.0020 -0.0158 1219 GLY 80 HN -0.0205 -0.0036 -0.0161 1220 GLY 80 CA -0.0211 -0.0078 -0.0148 1221 GLY 80 HA1 -0.0231 -0.0071 -0.0191 1222 GLY 80 HA2 -0.0224 -0.0131 -0.0143 1223 GLY 80 C -0.0177 -0.0077 -0.0081 1224 GLY 80 O -0.0149 -0.0077 -0.0025 1225 GLY 81 N -0.0179 0.0062 -0.0053 1226 GLY 81 HN -0.0160 0.0065 -0.0010 1227 GLY 81 CA -0.0148 0.0060 -0.0013 1228 GLY 81 HA1 -0.0138 0.0076 0.0070 1229 GLY 81 HA2 -0.0202 0.0075 -0.0039 1230 GLY 81 C -0.0051 0.0011 -0.0047 1231 GLY 81 O -0.0022 0.0003 -0.0032 1232 LYS 82 N -0.0016 -0.0099 -0.0053 1233 LYS 82 HN -0.0023 -0.0104 -0.0065 1234 LYS 82 CA -0.0001 -0.0085 -0.0057 1235 LYS 82 HA 0.0006 -0.0079 -0.0045 1236 LYS 82 CB 0.0003 -0.0079 -0.0077 1237 LYS 82 HB1 0.0015 -0.0068 -0.0080 1238 LYS 82 HB2 -0.0004 -0.0085 -0.0089 1239 LYS 82 CG 0.0002 -0.0080 -0.0078 1240 LYS 82 HG1 -0.0009 -0.0091 -0.0074 1241 LYS 82 HG2 0.0010 -0.0073 -0.0066 1242 LYS 82 CD 0.0005 -0.0076 -0.0099 1243 LYS 82 HD1 0.0016 -0.0065 -0.0102 1244 LYS 82 HD2 -0.0002 -0.0082 -0.0110 1245 LYS 82 CE 0.0002 -0.0079 -0.0101 1246 LYS 82 HE1 0.0003 -0.0076 -0.0116 1247 LYS 82 HE2 -0.0010 -0.0090 -0.0097 1248 LYS 82 NZ 0.0011 -0.0071 -0.0087 1249 LYS 82 HZ1 0.0022 -0.0061 -0.0089 1250 LYS 82 HZ2 0.0009 -0.0074 -0.0072 1251 LYS 82 HZ3 0.0009 -0.0073 -0.0089 1252 LYS 82 C 0.0002 -0.0082 -0.0056 1253 LYS 82 O -0.0007 -0.0090 -0.0063 1254 VAL 83 N -0.0016 0.0007 -0.0004 1255 VAL 83 HN -0.0006 -0.0008 0.0012 1256 VAL 83 CA -0.0006 0.0005 -0.0040 1257 VAL 83 HA -0.0017 0.0020 -0.0052 1258 VAL 83 CB -0.0004 0.0009 -0.0059 1259 VAL 83 HB -0.0023 0.0027 -0.0054 1260 VAL 83 CG1 0.0012 -0.0013 -0.0044 1261 VAL 83 HG11 0.0011 -0.0008 -0.0057 1262 VAL 83 HG12 0.0007 -0.0014 -0.0017 1263 VAL 83 HG13 0.0032 -0.0031 -0.0050 1264 VAL 83 CG2 0.0004 0.0011 -0.0098 1265 VAL 83 HG21 0.0002 0.0016 -0.0111 1266 VAL 83 HG22 0.0023 -0.0008 -0.0104 1267 VAL 83 HG23 -0.0008 0.0025 -0.0107 1268 VAL 83 C 0.0019 -0.0019 -0.0045 1269 VAL 83 O 0.0034 -0.0040 -0.0026 1270 SER 84 N -0.0046 -0.0004 -0.0009 1271 SER 84 HN -0.0042 0.0021 -0.0012 1272 SER 84 CA -0.0051 -0.0025 -0.0006 1273 SER 84 HA -0.0055 -0.0052 -0.0005 1274 SER 84 CB -0.0065 -0.0015 0.0024 1275 SER 84 HB1 -0.0062 0.0012 0.0023 1276 SER 84 HB2 -0.0076 -0.0015 0.0044 1277 SER 84 OG -0.0071 -0.0038 0.0030 1278 SER 84 HG1 -0.0081 -0.0031 0.0050 1279 SER 84 C -0.0035 -0.0023 -0.0034 1280 SER 84 O -0.0025 0.0004 -0.0048 1281 ILE 85 N -0.0004 0.0020 -0.0034 1282 ILE 85 HN -0.0006 0.0012 -0.0028 1283 ILE 85 CA -0.0001 0.0016 -0.0047 1284 ILE 85 HA 0.0001 0.0026 -0.0054 1285 ILE 85 CB 0.0000 0.0006 -0.0054 1286 ILE 85 HB -0.0001 -0.0005 -0.0049 1287 ILE 85 CG2 0.0004 0.0003 -0.0069 1288 ILE 85 HG21 0.0005 -0.0004 -0.0074 1289 ILE 85 HG22 0.0004 -0.0001 -0.0070 1290 ILE 85 HG23 0.0006 0.0013 -0.0075 1291 ILE 85 CG1 0.0000 0.0010 -0.0053 1292 ILE 85 HG11 0.0001 0.0001 -0.0058 1293 ILE 85 HG12 -0.0003 0.0010 -0.0042 1294 ILE 85 CD 0.0002 0.0024 -0.0059 1295 ILE 85 HD1 0.0002 0.0027 -0.0057 1296 ILE 85 HD2 0.0005 0.0023 -0.0071 1297 ILE 85 HD3 0.0002 0.0032 -0.0056 1298 ILE 85 C -0.0002 0.0010 -0.0046 1299 ILE 85 O -0.0004 -0.0001 -0.0039 1300 LYS 86 N -0.0007 -0.0022 -0.0094 1301 LYS 86 HN -0.0001 -0.0008 -0.0101 1302 LYS 86 CA -0.0008 -0.0025 -0.0093 1303 LYS 86 HA -0.0012 -0.0043 -0.0088 1304 LYS 86 CB -0.0016 -0.0007 -0.0077 1305 LYS 86 HB1 -0.0026 -0.0009 -0.0063 1306 LYS 86 HB2 -0.0019 -0.0012 -0.0074 1307 LYS 86 CG -0.0011 0.0019 -0.0082 1308 LYS 86 HG1 -0.0002 0.0022 -0.0096 1309 LYS 86 HG2 -0.0008 0.0024 -0.0086 1310 LYS 86 CD -0.0021 0.0034 -0.0064 1311 LYS 86 HD1 -0.0029 0.0032 -0.0052 1312 LYS 86 HD2 -0.0024 0.0027 -0.0059 1313 LYS 86 CE -0.0016 0.0061 -0.0068 1314 LYS 86 HE1 -0.0009 0.0064 -0.0079 1315 LYS 86 HE2 -0.0012 0.0067 -0.0074 1316 LYS 86 NZ -0.0027 0.0074 -0.0049 1317 LYS 86 HZ1 -0.0035 0.0063 -0.0039 1318 LYS 86 HZ2 -0.0030 0.0080 -0.0044 1319 LYS 86 HZ3 -0.0024 0.0089 -0.0052 1320 LYS 86 C 0.0005 -0.0023 -0.0113 1321 LYS 86 O 0.0015 -0.0014 -0.0127 1322 GLY 87 N 0.0063 -0.0055 -0.0120 1323 GLY 87 HN 0.0080 -0.0056 -0.0124 1324 GLY 87 CA 0.0054 -0.0061 -0.0125 1325 GLY 87 HA1 0.0065 -0.0055 -0.0120 1326 GLY 87 HA2 0.0035 -0.0060 -0.0121 1327 GLY 87 C 0.0057 -0.0077 -0.0147 1328 GLY 87 O 0.0061 -0.0084 -0.0157 1329 HIS 88 N 0.0218 -0.0079 -0.0294 1330 HIS 88 HN 0.0121 -0.0021 -0.0312 1331 HIS 88 CA 0.0193 -0.0169 -0.0114 1332 HIS 88 HA 0.0328 -0.0256 -0.0078 1333 HIS 88 CB 0.0047 -0.0182 0.0031 1334 HIS 88 HB1 -0.0097 -0.0099 0.0010 1335 HIS 88 HB2 0.0078 -0.0190 0.0018 1336 HIS 88 CD2 -0.0085 -0.0311 0.0366 1337 HIS 88 HD2 -0.0235 -0.0245 0.0379 1338 HIS 88 CG 0.0054 -0.0295 0.0222 1339 HIS 88 NE2 0.0003 -0.0432 0.0503 1340 HIS 88 HE2 -0.0059 -0.0474 0.0626 1341 HIS 88 ND1 0.0228 -0.0405 0.0265 1342 HIS 88 HD1 0.0355 -0.0421 0.0185 1343 HIS 88 CE1 0.0190 -0.0485 0.0435 1344 HIS 88 HE1 0.0296 -0.0580 0.0511 1345 HIS 88 C 0.0156 -0.0151 -0.0115 1346 HIS 88 O 0.0080 -0.0050 -0.0227 1347 HIS 89 N 0.0761 -0.0231 -0.0455 1348 HIS 89 HN 0.1126 0.0007 -0.0345 1349 HIS 89 CA 0.0217 -0.0062 -0.0140 1350 HIS 89 HA 0.0334 0.0299 0.0156 1351 HIS 89 CB -0.0227 -0.0207 -0.0140 1352 HIS 89 HB1 -0.0603 -0.0038 0.0126 1353 HIS 89 HB2 -0.0390 -0.0574 -0.0428 1354 HIS 89 CD2 0.0109 -0.0342 -0.0363 1355 HIS 89 HD2 0.0001 -0.0703 -0.0662 1356 HIS 89 CG 0.0042 -0.0082 -0.0105 1357 HIS 89 NE2 0.0338 -0.0049 -0.0163 1358 HIS 89 HE2 0.0416 -0.0126 -0.0257 1359 HIS 89 ND1 0.0228 0.0367 0.0249 1360 HIS 89 HD1 0.0232 0.0633 0.0492 1361 HIS 89 CE1 0.0403 0.0373 0.0204 1362 HIS 89 HE1 0.0565 0.0677 0.0433 1363 HIS 89 C -0.0059 -0.0170 -0.0156 1364 HIS 89 O -0.0542 -0.0087 0.0062 1365 HIS 90 N -0.0035 -0.0139 -0.0137 1366 HIS 90 HN 0.0025 -0.0111 -0.0279 1367 HIS 90 CA -0.0041 -0.0060 -0.0014 1368 HIS 90 HA 0.0032 0.0036 -0.0104 1369 HIS 90 CB -0.0049 0.0069 0.0183 1370 HIS 90 HB1 -0.0066 0.0105 0.0280 1371 HIS 90 HB2 -0.0114 -0.0008 0.0272 1372 HIS 90 CD2 0.0096 0.0288 0.0042 1373 HIS 90 HD2 0.0071 0.0186 -0.0018 1374 HIS 90 CG 0.0050 0.0256 0.0136 1375 HIS 90 NE2 0.0189 0.0484 0.0029 1376 HIS 90 HE2 0.0239 0.0548 -0.0034 1377 HIS 90 ND1 0.0114 0.0436 0.0188 1378 HIS 90 HD1 0.0097 0.0465 0.0278 1379 HIS 90 CE1 0.0196 0.0567 0.0119 1380 HIS 90 HE1 0.0259 0.0723 0.0140 1381 HIS 90 C -0.0116 -0.0205 0.0016 1382 HIS 90 O -0.0140 -0.0163 0.0142 1383 HIS 91 N 0.0013 -0.0046 -0.0127 1384 HIS 91 HN 0.0023 -0.0048 -0.0140 1385 HIS 91 CA 0.0019 -0.0061 -0.0107 1386 HIS 91 HA 0.0012 -0.0060 -0.0098 1387 HIS 91 CB 0.0040 -0.0076 -0.0112 1388 HIS 91 HB1 0.0045 -0.0087 -0.0096 1389 HIS 91 HB2 0.0048 -0.0078 -0.0120 1390 HIS 91 CD2 0.0061 -0.0077 -0.0145 1391 HIS 91 HD2 0.0070 -0.0079 -0.0155 1392 HIS 91 CG 0.0047 -0.0075 -0.0126 1393 HIS 91 NE2 0.0060 -0.0073 -0.0151 1394 HIS 91 HE2 0.0067 -0.0072 -0.0165 1395 HIS 91 ND1 0.0039 -0.0071 -0.0119 1396 HIS 91 HD1 0.0028 -0.0070 -0.0105 1397 HIS 91 CE1 0.0046 -0.0070 -0.0134 1398 HIS 91 HE1 0.0042 -0.0067 -0.0134 1399 HIS 91 C 0.0013 -0.0063 -0.0091 1400 HIS 91 O 0.0011 -0.0058 -0.0098 1401 TYR 92 N 0.0006 0.0001 -0.0013 1402 TYR 92 HN 0.0011 -0.0002 -0.0012 1403 TYR 92 CA -0.0005 -0.0002 0.0006 1404 TYR 92 HA -0.0013 0.0002 0.0002 1405 TYR 92 CB -0.0020 -0.0000 0.0015 1406 TYR 92 HB1 -0.0026 -0.0004 0.0031 1407 TYR 92 HB2 -0.0013 -0.0003 0.0016 1408 TYR 92 CG -0.0038 0.0011 0.0003 1409 TYR 92 CD1 -0.0037 0.0017 -0.0014 1410 TYR 92 HD1 -0.0023 0.0013 -0.0019 1411 TYR 92 CE1 -0.0054 0.0027 -0.0025 1412 TYR 92 HE1 -0.0053 0.0031 -0.0038 1413 TYR 92 CZ -0.0072 0.0031 -0.0018 1414 TYR 92 OH -0.0088 0.0041 -0.0030 1415 TYR 92 HH -0.0098 0.0043 -0.0024 1416 TYR 92 CD2 -0.0056 0.0015 0.0010 1417 TYR 92 HD2 -0.0057 0.0010 0.0023 1418 TYR 92 CE2 -0.0073 0.0025 -0.0001 1419 TYR 92 HE2 -0.0087 0.0028 0.0004 1420 TYR 92 C 0.0009 -0.0013 0.0021 1421 TYR 92 O 0.0024 -0.0019 0.0024 1422 ILE 93 N 0.0038 0.0030 0.0023 1423 ILE 93 HN 0.0016 0.0040 0.0020 1424 ILE 93 CA 0.0048 0.0033 0.0042 1425 ILE 93 HA 0.0067 0.0021 0.0032 1426 ILE 93 CB 0.0024 0.0044 0.0041 1427 ILE 93 HB 0.0006 0.0057 0.0052 1428 ILE 93 CG2 0.0012 0.0036 0.0008 1429 ILE 93 HG21 -0.0005 0.0044 0.0006 1430 ILE 93 HG22 0.0031 0.0023 -0.0004 1431 ILE 93 HG23 0.0002 0.0036 -0.0005 1432 ILE 93 CG1 0.0035 0.0046 0.0060 1433 ILE 93 HG11 0.0051 0.0034 0.0048 1434 ILE 93 HG12 0.0047 0.0050 0.0083 1435 ILE 93 CD 0.0009 0.0060 0.0065 1436 ILE 93 HD1 -0.0006 0.0073 0.0078 1437 ILE 93 HD2 0.0018 0.0061 0.0079 1438 ILE 93 HD3 -0.0003 0.0058 0.0043 1439 ILE 93 C 0.0060 0.0040 0.0074 1440 ILE 93 O 0.0044 0.0053 0.0089 1441 SER 94 N 0.0062 0.0109 0.0138 1442 SER 94 HN 0.0069 0.0099 0.0128 1443 SER 94 CA 0.0075 0.0111 0.0163 1444 SER 94 HA 0.0066 0.0121 0.0171 1445 SER 94 CB 0.0097 0.0094 0.0159 1446 SER 94 HB1 0.0109 0.0083 0.0153 1447 SER 94 HB2 0.0091 0.0090 0.0143 1448 SER 94 OG 0.0108 0.0096 0.0180 1449 SER 94 HG1 0.0116 0.0096 0.0193 1450 SER 94 C 0.0083 0.0114 0.0181 1451 SER 94 O 0.0092 0.0105 0.0175 1452 ALA 95 N 0.0079 0.0123 0.0140 1453 ALA 95 HN 0.0083 0.0120 0.0138 1454 ALA 95 CA 0.0076 0.0125 0.0133 1455 ALA 95 HA 0.0072 0.0128 0.0136 1456 ALA 95 CB 0.0082 0.0120 0.0128 1457 ALA 95 HB1 0.0086 0.0117 0.0124 1458 ALA 95 HB2 0.0080 0.0121 0.0123 1459 ALA 95 HB3 0.0086 0.0117 0.0134 1460 ALA 95 C 0.0071 0.0129 0.0126 1461 ALA 95 O 0.0074 0.0127 0.0122 1462 ASP 96 N 0.0106 0.0115 0.0136 1463 ASP 96 HN 0.0089 0.0112 0.0129 1464 ASP 96 CA 0.0088 0.0112 0.0128 1465 ASP 96 HA 0.0097 0.0110 0.0151 1466 ASP 96 CB 0.0043 0.0100 0.0126 1467 ASP 96 HB1 0.0028 0.0097 0.0119 1468 ASP 96 HB2 0.0033 0.0101 0.0103 1469 ASP 96 CG 0.0027 0.0089 0.0166 1470 ASP 96 OD1 -0.0009 0.0079 0.0166 1471 ASP 96 OD2 0.0050 0.0090 0.0197 1472 ASP 96 C 0.0104 0.0123 0.0088 1473 ASP 96 O 0.0122 0.0131 0.0067 1474 HIS 97 N 0.0153 0.0102 -0.0104 1475 HIS 97 HN 0.0248 0.0098 -0.0181 1476 HIS 97 CA 0.0140 0.0181 0.0013 1477 HIS 97 HA 0.0038 0.0136 0.0029 1478 HIS 97 CB 0.0272 0.0239 -0.0010 1479 HIS 97 HB1 0.0256 0.0296 0.0079 1480 HIS 97 HB2 0.0379 0.0289 -0.0024 1481 HIS 97 CD2 0.0217 0.0106 -0.0147 1482 HIS 97 HD2 0.0129 0.0111 -0.0073 1483 HIS 97 CG 0.0288 0.0156 -0.0134 1484 HIS 97 NE2 0.0277 0.0040 -0.0283 1485 HIS 97 HE2 0.0234 -0.0021 -0.0332 1486 HIS 97 ND1 0.0394 0.0126 -0.0255 1487 HIS 97 HD1 0.0464 0.0152 -0.0273 1488 HIS 97 CE1 0.0383 0.0056 -0.0342 1489 HIS 97 HE1 0.0449 0.0013 -0.0450 1490 HIS 97 C 0.0128 0.0274 0.0146 1491 HIS 97 O 0.0069 0.0322 0.0257 1492 HIS 98 N 0.0007 0.0176 0.0121 1493 HIS 98 HN -0.0014 0.0142 0.0191 1494 HIS 98 CA -0.0013 0.0059 -0.0062 1495 HIS 98 HA 0.0034 0.0153 -0.0174 1496 HIS 98 CB -0.0077 -0.0104 -0.0020 1497 HIS 98 HB1 -0.0125 -0.0199 0.0097 1498 HIS 98 HB2 -0.0060 -0.0037 0.0040 1499 HIS 98 CD2 -0.0164 -0.0421 -0.0244 1500 HIS 98 HD2 -0.0216 -0.0534 -0.0147 1501 HIS 98 CG -0.0098 -0.0228 -0.0206 1502 HIS 98 NE2 -0.0151 -0.0452 -0.0441 1503 HIS 98 HE2 -0.0188 -0.0580 -0.0515 1504 HIS 98 ND1 -0.0046 -0.0137 -0.0376 1505 HIS 98 HD1 0.0008 0.0005 -0.0392 1506 HIS 98 CE1 -0.0079 -0.0277 -0.0513 1507 HIS 98 HE1 -0.0053 -0.0254 -0.0663 1508 HIS 98 C -0.0034 -0.0030 -0.0154 1509 HIS 98 O -0.0056 -0.0055 -0.0048 1510 GLY 99 N -0.0008 0.0024 -0.0187 1511 GLY 99 HN 0.0007 0.0043 -0.0263 1512 GLY 99 CA -0.0066 -0.0004 -0.0158 1513 GLY 99 HA1 -0.0122 -0.0034 -0.0105 1514 GLY 99 HA2 -0.0100 -0.0003 -0.0231 1515 GLY 99 C -0.0006 0.0009 -0.0102 1516 GLY 99 O 0.0086 0.0043 -0.0100 1517 HIS 100 N -0.0047 -0.0007 -0.0028 1518 HIS 100 HN -0.0102 -0.0022 -0.0029 1519 HIS 100 CA -0.0016 -0.0005 0.0019 1520 HIS 100 HA 0.0014 0.0009 -0.0019 1521 HIS 100 CB -0.0077 -0.0028 0.0053 1522 HIS 100 HB1 -0.0054 -0.0026 0.0087 1523 HIS 100 HB2 -0.0109 -0.0042 0.0091 1524 HIS 100 CD2 -0.0117 -0.0021 -0.0065 1525 HIS 100 HD2 -0.0065 -0.0003 -0.0088 1526 HIS 100 CG -0.0129 -0.0034 -0.0004 1527 HIS 100 NE2 -0.0185 -0.0036 -0.0094 1528 HIS 100 HE2 -0.0196 -0.0033 -0.0137 1529 HIS 100 ND1 -0.0204 -0.0057 0.0005 1530 HIS 100 HD1 -0.0229 -0.0070 0.0046 1531 HIS 100 CE1 -0.0235 -0.0057 -0.0049 1532 HIS 100 HE1 -0.0294 -0.0073 -0.0057 1533 HIS 100 C 0.0037 -0.0000 0.0085 1534 HIS 100 O 0.0022 -0.0012 0.0132 1535 VAL 101 N 0.0040 0.0041 0.0086 1536 VAL 101 HN 0.0043 0.0044 0.0072 1537 VAL 101 CA 0.0052 0.0049 0.0103 1538 VAL 101 HA 0.0054 0.0050 0.0111 1539 VAL 101 CB 0.0069 0.0061 0.0094 1540 VAL 101 HB 0.0066 0.0060 0.0083 1541 VAL 101 CG1 0.0083 0.0070 0.0110 1542 VAL 101 HG11 0.0078 0.0066 0.0119 1543 VAL 101 HG12 0.0087 0.0072 0.0121 1544 VAL 101 HG13 0.0095 0.0078 0.0102 1545 VAL 101 CG2 0.0077 0.0067 0.0081 1546 VAL 101 HG21 0.0080 0.0069 0.0091 1547 VAL 101 HG22 0.0068 0.0061 0.0068 1548 VAL 101 HG23 0.0089 0.0076 0.0074 1549 VAL 101 C 0.0045 0.0043 0.0119 1550 VAL 101 O 0.0035 0.0037 0.0113 1551 SER 102 N 0.0083 0.0086 0.0136 1552 SER 102 HN 0.0080 0.0089 0.0140 1553 SER 102 CA 0.0088 0.0077 0.0120 1554 SER 102 HA 0.0086 0.0075 0.0115 1555 SER 102 CB 0.0106 0.0072 0.0120 1556 SER 102 HB1 0.0114 0.0074 0.0128 1557 SER 102 HB2 0.0111 0.0065 0.0108 1558 SER 102 OG 0.0109 0.0074 0.0124 1559 SER 102 HG1 0.0111 0.0079 0.0135 1560 SER 102 C 0.0076 0.0075 0.0109 1561 SER 102 O 0.0061 0.0079 0.0110 1562 THR 103 N 0.0129 0.0026 0.0052 1563 THR 103 HN 0.0161 0.0024 0.0050 1564 THR 103 CA 0.0106 0.0010 0.0019 1565 THR 103 HA 0.0082 0.0017 0.0030 1566 THR 103 CB 0.0084 -0.0003 -0.0007 1567 THR 103 HB 0.0063 0.0007 0.0011 1568 THR 103 OG1 0.0059 -0.0018 -0.0036 1569 THR 103 HG1 0.0041 -0.0023 -0.0047 1570 THR 103 CG2 0.0118 -0.0014 -0.0025 1571 THR 103 HG21 0.0101 -0.0023 -0.0042 1572 THR 103 HG22 0.0138 -0.0003 -0.0004 1573 THR 103 HG23 0.0139 -0.0026 -0.0045 1574 THR 103 C 0.0138 -0.0003 -0.0003 1575 THR 103 O 0.0177 -0.0005 -0.0004 1576 LYS 104 N 0.0090 0.0039 0.0010 1577 LYS 104 HN 0.0049 0.0051 0.0011 1578 LYS 104 CA 0.0117 0.0026 -0.0012 1579 LYS 104 HA 0.0150 0.0010 -0.0037 1580 LYS 104 CB 0.0145 0.0030 0.0034 1581 LYS 104 HB1 0.0174 0.0029 0.0061 1582 LYS 104 HB2 0.0170 0.0018 0.0015 1583 LYS 104 CG 0.0105 0.0052 0.0074 1584 LYS 104 HG1 0.0082 0.0052 0.0050 1585 LYS 104 HG2 0.0075 0.0064 0.0088 1586 LYS 104 CD 0.0137 0.0057 0.0127 1587 LYS 104 HD1 0.0156 0.0059 0.0153 1588 LYS 104 HD2 0.0171 0.0044 0.0112 1589 LYS 104 CE 0.0099 0.0077 0.0162 1590 LYS 104 HE1 0.0079 0.0076 0.0134 1591 LYS 104 HE2 0.0065 0.0091 0.0179 1592 LYS 104 NZ 0.0129 0.0081 0.0210 1593 LYS 104 HZ1 0.0106 0.0090 0.0218 1594 LYS 104 HZ2 0.0169 0.0068 0.0202 1595 LYS 104 HZ3 0.0130 0.0091 0.0249 1596 LYS 104 C 0.0078 0.0026 -0.0053 1597 LYS 104 O 0.0028 0.0040 -0.0054 1598 GLU 105 N -0.0078 -0.0010 -0.0177 1599 GLU 105 HN -0.0202 -0.0021 -0.0160 1600 GLU 105 CA 0.0032 0.0018 -0.0031 1601 GLU 105 HA 0.0137 0.0030 -0.0021 1602 GLU 105 CB -0.0071 0.0026 0.0145 1603 GLU 105 HB1 -0.0180 0.0014 0.0139 1604 GLU 105 HB2 -0.0130 0.0022 0.0164 1605 GLU 105 CG 0.0044 0.0056 0.0305 1606 GLU 105 HG1 0.0156 0.0068 0.0310 1607 GLU 105 HG2 0.0097 0.0061 0.0300 1608 GLU 105 CD -0.0058 0.0064 0.0476 1609 GLU 105 OE1 -0.0051 0.0073 0.0556 1610 GLU 105 OE2 -0.0143 0.0061 0.0529 1611 GLU 105 C 0.0113 0.0022 -0.0067 1612 GLU 105 O 0.0024 0.0007 -0.0123 1613 HIS 106 N -0.0005 0.0074 0.0046 1614 HIS 106 HN 0.0018 0.0060 0.0102 1615 HIS 106 CA -0.0028 0.0004 -0.0027 1616 HIS 106 HA -0.0019 -0.0034 -0.0011 1617 HIS 106 CB -0.0070 0.0043 -0.0122 1618 HIS 106 HB1 -0.0084 -0.0017 -0.0171 1619 HIS 106 HB2 -0.0083 0.0083 -0.0145 1620 HIS 106 CD2 -0.0090 0.0200 -0.0138 1621 HIS 106 HD2 -0.0102 0.0252 -0.0155 1622 HIS 106 CG -0.0076 0.0106 -0.0122 1623 HIS 106 NE2 -0.0087 0.0223 -0.0124 1624 HIS 106 HE2 -0.0089 0.0290 -0.0115 1625 HIS 106 ND1 -0.0064 0.0068 -0.0101 1626 HIS 106 HD1 -0.0052 0.0000 -0.0087 1627 HIS 106 CE1 -0.0071 0.0141 -0.0102 1628 HIS 106 HE1 -0.0064 0.0138 -0.0085 1629 HIS 106 C -0.0024 -0.0074 -0.0033 1630 HIS 106 O -0.0020 -0.0057 -0.0020 1631 HIS 107 N -0.0108 0.0042 0.0084 1632 HIS 107 HN -0.0112 0.0045 0.0078 1633 HIS 107 CA -0.0111 0.0021 0.0089 1634 HIS 107 HA -0.0100 0.0018 0.0100 1635 HIS 107 CB -0.0117 0.0008 0.0087 1636 HIS 107 HB1 -0.0127 0.0013 0.0075 1637 HIS 107 HB2 -0.0108 0.0011 0.0094 1638 HIS 107 CD2 -0.0136 -0.0024 0.0080 1639 HIS 107 HD2 -0.0147 -0.0020 0.0068 1640 HIS 107 CG -0.0122 -0.0013 0.0090 1641 HIS 107 NE2 -0.0135 -0.0043 0.0088 1642 HIS 107 HE2 -0.0143 -0.0055 0.0084 1643 HIS 107 ND1 -0.0112 -0.0025 0.0104 1644 HIS 107 HD1 -0.0101 -0.0021 0.0113 1645 HIS 107 CE1 -0.0120 -0.0043 0.0102 1646 HIS 107 HE1 -0.0115 -0.0056 0.0112 1647 HIS 107 C -0.0121 0.0014 0.0081 1648 HIS 107 O -0.0132 0.0021 0.0068 1649 ASP 108 N -0.0097 0.0074 0.0143 1650 ASP 108 HN -0.0090 0.0066 0.0163 1651 ASP 108 CA -0.0101 0.0069 0.0143 1652 ASP 108 HA -0.0117 0.0067 0.0123 1653 ASP 108 CB -0.0078 0.0093 0.0145 1654 ASP 108 HB1 -0.0063 0.0094 0.0166 1655 ASP 108 HB2 -0.0073 0.0111 0.0129 1656 ASP 108 CG -0.0081 0.0096 0.0136 1657 ASP 108 OD1 -0.0100 0.0078 0.0133 1658 ASP 108 OD2 -0.0063 0.0117 0.0135 1659 ASP 108 C -0.0107 0.0044 0.0168 1660 ASP 108 O -0.0103 0.0033 0.0188 1661 HIS 109 N -0.0093 0.0073 0.0058 1662 HIS 109 HN -0.0093 0.0120 -0.0008 1663 HIS 109 CA -0.0086 0.0069 0.0034 1664 HIS 109 HA -0.0069 -0.0013 0.0087 1665 HIS 109 CB -0.0044 0.0059 -0.0108 1666 HIS 109 HB1 -0.0048 0.0085 -0.0127 1667 HIS 109 HB2 -0.0051 0.0123 -0.0168 1668 HIS 109 CD2 0.0056 -0.0122 -0.0224 1669 HIS 109 HD2 0.0057 -0.0078 -0.0288 1670 HIS 109 CG 0.0015 -0.0072 -0.0140 1671 HIS 109 NE2 0.0102 -0.0249 -0.0219 1672 HIS 109 HE2 0.0139 -0.0308 -0.0271 1673 HIS 109 ND1 0.0036 -0.0170 -0.0082 1674 HIS 109 HD1 0.0015 -0.0163 -0.0013 1675 HIS 109 CE1 0.0088 -0.0273 -0.0133 1676 HIS 109 HE1 0.0115 -0.0366 -0.0104 1677 HIS 109 C -0.0140 0.0174 0.0089 1678 HIS 109 O -0.0143 0.0162 0.0119 1679 ASP 110 N -0.0004 0.0123 0.0125 1680 ASP 110 HN 0.0004 0.0126 0.0105 1681 ASP 110 CA 0.0014 0.0134 0.0144 1682 ASP 110 HA 0.0017 0.0137 0.0166 1683 ASP 110 CB 0.0042 0.0147 0.0128 1684 ASP 110 HB1 0.0055 0.0155 0.0141 1685 ASP 110 HB2 0.0039 0.0144 0.0105 1686 ASP 110 CG 0.0060 0.0157 0.0124 1687 ASP 110 OD1 0.0054 0.0154 0.0137 1688 ASP 110 OD2 0.0083 0.0167 0.0109 1689 ASP 110 C 0.0003 0.0129 0.0152 1690 ASP 110 O 0.0011 0.0134 0.0174 1691 THR 111 N -0.0018 0.0049 0.0137 1692 THR 111 HN -0.0023 0.0048 0.0128 1693 THR 111 CA -0.0021 0.0048 0.0135 1694 THR 111 HA -0.0014 0.0049 0.0143 1695 THR 111 CB -0.0019 0.0051 0.0117 1696 THR 111 HB -0.0020 0.0050 0.0118 1697 THR 111 OG1 -0.0031 0.0048 0.0106 1698 THR 111 HG1 -0.0041 0.0045 0.0109 1699 THR 111 CG2 -0.0003 0.0056 0.0111 1700 THR 111 HG21 -0.0003 0.0057 0.0110 1701 THR 111 HG22 -0.0002 0.0058 0.0098 1702 THR 111 HG23 0.0007 0.0058 0.0119 1703 THR 111 C -0.0038 0.0042 0.0140 1704 THR 111 O -0.0044 0.0040 0.0138 1705 THR 112 N -0.0037 0.0020 0.0107 1706 THR 112 HN -0.0042 0.0031 0.0091 1707 THR 112 CA -0.0032 -0.0011 0.0104 1708 THR 112 HA -0.0027 -0.0020 0.0124 1709 THR 112 CB -0.0034 -0.0025 0.0078 1710 THR 112 HB -0.0039 -0.0017 0.0058 1711 THR 112 OG1 -0.0036 -0.0019 0.0078 1712 THR 112 HG1 -0.0039 0.0002 0.0076 1713 THR 112 CG2 -0.0029 -0.0058 0.0078 1714 THR 112 HG21 -0.0024 -0.0066 0.0099 1715 THR 112 HG22 -0.0030 -0.0067 0.0060 1716 THR 112 HG23 -0.0028 -0.0065 0.0075 1717 THR 112 C -0.0032 -0.0019 0.0102 1718 THR 112 O -0.0037 -0.0006 0.0084 1719 PHE 113 N 0.0029 -0.0004 0.0076 1720 PHE 113 HN 0.0032 -0.0010 0.0084 1721 PHE 113 CA 0.0031 -0.0011 0.0082 1722 PHE 113 HA 0.0027 -0.0006 0.0072 1723 PHE 113 CB 0.0039 -0.0003 0.0104 1724 PHE 113 HB1 0.0041 -0.0006 0.0108 1725 PHE 113 HB2 0.0043 -0.0011 0.0115 1726 PHE 113 CG 0.0040 0.0021 0.0106 1727 PHE 113 CD1 0.0045 0.0030 0.0121 1728 PHE 113 HD1 0.0049 0.0019 0.0132 1729 PHE 113 CE1 0.0046 0.0052 0.0123 1730 PHE 113 HE1 0.0050 0.0058 0.0134 1731 PHE 113 CZ 0.0041 0.0066 0.0109 1732 PHE 113 HZ 0.0041 0.0083 0.0110 1733 PHE 113 CD2 0.0035 0.0035 0.0093 1734 PHE 113 HD2 0.0031 0.0029 0.0081 1735 PHE 113 CE2 0.0035 0.0058 0.0094 1736 PHE 113 HE2 0.0031 0.0068 0.0083 1737 PHE 113 C 0.0031 -0.0035 0.0082 1738 PHE 113 O 0.0031 -0.0045 0.0081 1739 GLU 114 N 0.0073 -0.0060 0.0073 1740 GLU 114 HN 0.0074 -0.0060 0.0074 1741 GLU 114 CA 0.0070 -0.0050 0.0074 1742 GLU 114 HA 0.0066 -0.0051 0.0071 1743 GLU 114 CB 0.0077 -0.0044 0.0082 1744 GLU 114 HB1 0.0075 -0.0036 0.0083 1745 GLU 114 HB2 0.0081 -0.0042 0.0085 1746 GLU 114 CG 0.0085 -0.0050 0.0086 1747 GLU 114 HG1 0.0088 -0.0057 0.0086 1748 GLU 114 HG2 0.0082 -0.0052 0.0083 1749 GLU 114 CD 0.0092 -0.0043 0.0094 1750 GLU 114 OE1 0.0097 -0.0047 0.0097 1751 GLU 114 OE2 0.0092 -0.0035 0.0096 1752 GLU 114 C 0.0063 -0.0043 0.0071 1753 GLU 114 O 0.0063 -0.0045 0.0070 1754 GLU 115 N 0.0077 -0.0040 0.0048 1755 GLU 115 HN 0.0092 -0.0055 0.0052 1756 GLU 115 CA 0.0058 -0.0016 0.0042 1757 GLU 115 HA 0.0032 -0.0019 0.0048 1758 GLU 115 CB 0.0065 -0.0022 0.0043 1759 GLU 115 HB1 0.0054 -0.0002 0.0036 1760 GLU 115 HB2 0.0092 -0.0023 0.0039 1761 GLU 115 CG 0.0050 -0.0052 0.0058 1762 GLU 115 HG1 0.0059 -0.0073 0.0066 1763 GLU 115 HG2 0.0022 -0.0049 0.0062 1764 GLU 115 CD 0.0058 -0.0057 0.0059 1765 GLU 115 OE1 0.0052 -0.0034 0.0051 1766 GLU 115 OE2 0.0069 -0.0084 0.0068 1767 GLU 115 C 0.0063 0.0018 0.0026 1768 GLU 115 O 0.0089 0.0027 0.0018 1769 ILE 116 N 0.0062 0.0025 -0.0009 1770 ILE 116 HN 0.0043 0.0018 -0.0011 1771 ILE 116 CA 0.0062 0.0052 -0.0016 1772 ILE 116 HA 0.0082 0.0056 -0.0013 1773 ILE 116 CB 0.0040 0.0053 -0.0021 1774 ILE 116 HB 0.0019 0.0046 -0.0024 1775 ILE 116 CG2 0.0048 0.0033 -0.0014 1776 ILE 116 HG21 0.0051 0.0012 -0.0008 1777 ILE 116 HG22 0.0031 0.0031 -0.0017 1778 ILE 116 HG23 0.0068 0.0041 -0.0012 1779 ILE 116 CG1 0.0037 0.0083 -0.0030 1780 ILE 116 HG11 0.0057 0.0090 -0.0028 1781 ILE 116 HG12 0.0032 0.0097 -0.0035 1782 ILE 116 CD 0.0014 0.0084 -0.0035 1783 ILE 116 HD1 -0.0007 0.0077 -0.0038 1784 ILE 116 HD2 0.0012 0.0106 -0.0041 1785 ILE 116 HD3 0.0018 0.0071 -0.0031 1786 ILE 116 C 0.0058 0.0074 -0.0023 1787 ILE 116 O 0.0039 0.0070 -0.0026 1788 ILE 117 N 0.0011 -0.0006 0.0014 1789 ILE 117 HN -0.0012 -0.0023 0.0030 1790 ILE 117 CA 0.0031 0.0009 -0.0001 1791 ILE 117 HA 0.0051 0.0037 -0.0007 1792 ILE 117 CB 0.0014 0.0020 0.0026 1793 ILE 117 HB -0.0009 -0.0007 0.0037 1794 ILE 117 CG2 0.0033 0.0029 0.0009 1795 ILE 117 HG21 0.0021 0.0039 0.0029 1796 ILE 117 HG22 0.0036 0.0000 -0.0012 1797 ILE 117 HG23 0.0057 0.0054 -0.0004 1798 ILE 117 CG1 0.0007 0.0059 0.0059 1799 ILE 117 HG11 0.0025 0.0080 0.0049 1800 ILE 117 HG12 0.0007 0.0077 0.0068 1801 ILE 117 CD -0.0026 0.0049 0.0091 1802 ILE 117 HD1 -0.0029 0.0033 0.0084 1803 ILE 117 HD2 -0.0046 0.0029 0.0101 1804 ILE 117 HD3 -0.0030 0.0078 0.0113 1805 ILE 117 C 0.0045 -0.0022 -0.0036 1806 ILE 117 O 0.0029 -0.0060 -0.0039 1807 ILE 118 N -0.0157 -0.0073 -0.0041 1808 ILE 118 HN -0.0154 -0.0086 -0.0035 1809 ILE 118 CA -0.0119 -0.0421 0.0052 1810 ILE 118 HA -0.0089 -0.0077 0.0029 1811 ILE 118 CB -0.0005 -0.0074 0.0115 1812 ILE 118 HB -0.0002 -0.0120 0.0124 1813 ILE 118 CG2 0.0069 -0.0112 0.0195 1814 ILE 118 HG21 0.0130 -0.0080 0.0253 1815 ILE 118 HG22 0.0065 -0.0210 0.0207 1816 ILE 118 HG23 0.0067 -0.0074 0.0187 1817 ILE 118 CG1 0.0008 0.0060 0.0107 1818 ILE 118 HG11 0.0071 0.0082 0.0168 1819 ILE 118 HG12 -0.0039 0.0082 0.0056 1820 ILE 118 CD 0.0001 0.0142 0.0087 1821 ILE 118 HD1 0.0009 0.0237 0.0081 1822 ILE 118 HD2 0.0049 0.0129 0.0139 1823 ILE 118 HD3 -0.0062 0.0125 0.0025 1824 ILE 118 C -0.0104 -0.0247 0.0040 1825 ILE 118 OT1 -0.0119 -0.0309 0.0035 1826 ILE 118 OT2 -0.0171 -0.0227 -0.0032