1 ASN 3 N 0.0078 0.0303 -0.0027 2 ASN 3 HN 0.0004 0.0325 0.0002 3 ASN 3 CA 0.0118 0.0209 -0.0039 4 ASN 3 HA 0.0173 0.0169 -0.0060 5 ASN 3 CB 0.0033 0.0124 -0.0002 6 ASN 3 HB1 0.0063 0.0053 -0.0011 7 ASN 3 HB2 -0.0028 0.0164 0.0021 8 ASN 3 CG -0.0011 0.0080 0.0017 9 ASN 3 OD1 0.0029 0.0003 0.0004 10 ASN 3 ND2 -0.0098 0.0127 0.0050 11 ASN 3 HD21 -0.0127 0.0100 0.0063 12 ASN 3 HD22 -0.0121 0.0199 0.0057 13 ASN 3 C 0.0172 0.0239 -0.0062 14 ASN 3 O 0.0175 0.0333 -0.0067 15 ARG 4 N 0.0171 0.0165 0.0001 16 ARG 4 HN 0.0174 0.0107 -0.0058 17 ARG 4 CA 0.0155 0.0149 0.0000 18 ARG 4 HA 0.0169 0.0223 0.0060 19 ARG 4 CB 0.0237 0.0111 -0.0112 20 ARG 4 HB1 0.0233 0.0112 -0.0107 21 ARG 4 HB2 0.0211 0.0025 -0.0172 22 ARG 4 CG 0.0362 0.0179 -0.0158 23 ARG 4 HG1 0.0410 0.0143 -0.0237 24 ARG 4 HG2 0.0370 0.0170 -0.0174 25 ARG 4 CD 0.0413 0.0300 -0.0085 26 ARG 4 HD1 0.0368 0.0337 -0.0008 27 ARG 4 HD2 0.0408 0.0312 -0.0069 28 ARG 4 NE 0.0534 0.0349 -0.0147 29 ARG 4 HE 0.0568 0.0300 -0.0226 30 ARG 4 CZ 0.0597 0.0451 -0.0104 31 ARG 4 NH1 0.0560 0.0523 0.0001 32 ARG 4 HH11 0.0477 0.0496 0.0049 33 ARG 4 HH12 0.0605 0.0596 0.0031 34 ARG 4 NH2 0.0703 0.0483 -0.0167 35 ARG 4 HH21 0.0750 0.0560 -0.0135 36 ARG 4 HH22 0.0731 0.0430 -0.0246 37 ARG 4 C 0.0036 0.0062 0.0022 38 ARG 4 O 0.0001 0.0057 0.0049 39 ALA 5 N 0.0090 0.0045 0.0002 40 ALA 5 HN 0.0079 0.0031 0.0003 41 ALA 5 CA 0.0067 0.0027 0.0006 42 ALA 5 HA 0.0084 0.0038 0.0003 43 ALA 5 CB 0.0065 -0.0026 0.0004 44 ALA 5 HB1 0.0047 -0.0040 0.0007 45 ALA 5 HB2 0.0101 -0.0040 -0.0004 46 ALA 5 HB3 0.0050 -0.0040 0.0007 47 ALA 5 C 0.0019 0.0047 0.0016 48 ALA 5 O -0.0002 0.0054 0.0020 49 PHE 6 N 0.0004 0.0045 -0.0007 50 PHE 6 HN 0.0017 0.0036 -0.0011 51 PHE 6 CA -0.0019 0.0059 -0.0001 52 PHE 6 HA -0.0033 0.0064 0.0004 53 PHE 6 CB -0.0013 0.0087 -0.0009 54 PHE 6 HB1 -0.0029 0.0095 -0.0004 55 PHE 6 HB2 0.0005 0.0084 -0.0016 56 PHE 6 CG -0.0010 0.0108 -0.0015 57 PHE 6 CD1 0.0014 0.0109 -0.0025 58 PHE 6 HD1 0.0030 0.0095 -0.0029 59 PHE 6 CE1 0.0016 0.0128 -0.0030 60 PHE 6 HE1 0.0034 0.0128 -0.0037 61 PHE 6 CZ -0.0005 0.0146 -0.0025 62 PHE 6 HZ -0.0004 0.0160 -0.0028 63 PHE 6 CD2 -0.0031 0.0127 -0.0010 64 PHE 6 HD2 -0.0048 0.0127 -0.0002 65 PHE 6 CE2 -0.0029 0.0146 -0.0015 66 PHE 6 HE2 -0.0045 0.0160 -0.0011 67 PHE 6 C -0.0034 0.0042 0.0009 68 PHE 6 O -0.0023 0.0023 0.0008 69 LYS 7 N -0.0033 0.0050 0.0009 70 LYS 7 HN -0.0055 0.0049 -0.0003 71 LYS 7 CA -0.0015 0.0051 0.0017 72 LYS 7 HA 0.0009 0.0052 0.0027 73 LYS 7 CB -0.0031 0.0048 0.0044 74 LYS 7 HB1 -0.0032 0.0047 0.0067 75 LYS 7 HB2 -0.0015 0.0049 0.0048 76 LYS 7 CG -0.0066 0.0046 0.0035 77 LYS 7 HG1 -0.0067 0.0048 0.0009 78 LYS 7 HG2 -0.0084 0.0045 0.0038 79 LYS 7 CD -0.0077 0.0044 0.0056 80 LYS 7 HD1 -0.0081 0.0043 0.0082 81 LYS 7 HD2 -0.0056 0.0046 0.0057 82 LYS 7 CE -0.0107 0.0043 0.0043 83 LYS 7 HE1 -0.0110 0.0042 0.0057 84 LYS 7 HE2 -0.0104 0.0045 0.0016 85 LYS 7 NZ -0.0139 0.0041 0.0047 86 LYS 7 HZ1 -0.0147 0.0039 0.0071 87 LYS 7 HZ2 -0.0136 0.0041 0.0041 88 LYS 7 HZ3 -0.0156 0.0040 0.0031 89 LYS 7 C -0.0007 0.0053 -0.0013 90 LYS 7 O -0.0024 0.0053 -0.0039 91 SER 8 N 0.0014 0.0011 0.0044 92 SER 8 HN 0.0016 0.0019 0.0047 93 SER 8 CA 0.0032 -0.0017 0.0051 94 SER 8 HA 0.0034 -0.0019 0.0052 95 SER 8 CB 0.0024 -0.0046 0.0038 96 SER 8 HB1 0.0005 -0.0049 0.0023 97 SER 8 HB2 0.0037 -0.0067 0.0043 98 SER 8 OG 0.0023 -0.0044 0.0038 99 SER 8 HG1 0.0010 -0.0027 0.0032 100 SER 8 C 0.0058 -0.0012 0.0071 101 SER 8 O 0.0060 0.0008 0.0078 102 HIS 9 N 0.0134 -0.0075 0.0167 103 HIS 9 HN 0.0133 -0.0100 0.0178 104 HIS 9 CA 0.0163 -0.0067 0.0172 105 HIS 9 HA 0.0182 -0.0089 0.0187 106 HIS 9 CB 0.0144 -0.0071 0.0168 107 HIS 9 HB1 0.0166 -0.0065 0.0172 108 HIS 9 HB2 0.0121 -0.0052 0.0153 109 HIS 9 CD2 0.0087 -0.0125 0.0174 110 HIS 9 HD2 0.0061 -0.0111 0.0161 111 HIS 9 CG 0.0125 -0.0110 0.0179 112 HIS 9 NE2 0.0088 -0.0162 0.0191 113 HIS 9 HE2 0.0065 -0.0182 0.0193 114 HIS 9 ND1 0.0149 -0.0137 0.0198 115 HIS 9 HD1 0.0178 -0.0134 0.0206 116 HIS 9 CE1 0.0126 -0.0169 0.0205 117 HIS 9 HE1 0.0135 -0.0197 0.0220 118 HIS 9 C 0.0191 -0.0031 0.0165 119 HIS 9 O 0.0215 -0.0027 0.0171 120 HIS 10 N 0.0365 -0.0027 0.0216 121 HIS 10 HN 0.0301 0.0016 0.0226 122 HIS 10 CA 0.0472 0.0131 0.0187 123 HIS 10 HA 0.0575 0.0062 0.0171 124 HIS 10 CB 0.0592 0.0275 0.0156 125 HIS 10 HB1 0.0680 0.0389 0.0134 126 HIS 10 HB2 0.0485 0.0361 0.0172 127 HIS 10 CD2 0.0748 0.0151 0.0134 128 HIS 10 HD2 0.0639 0.0206 0.0151 129 HIS 10 CG 0.0742 0.0164 0.0134 130 HIS 10 NE2 0.0934 0.0061 0.0103 131 HIS 10 HE2 0.0989 0.0035 0.0094 132 HIS 10 ND1 0.0918 0.0085 0.0105 133 HIS 10 HD1 0.0955 0.0076 0.0098 134 HIS 10 CE1 0.1029 0.0024 0.0087 135 HIS 10 HE1 0.1181 -0.0045 0.0062 136 HIS 10 C 0.0324 0.0273 0.0207 137 HIS 10 O 0.0384 0.0434 0.0187 138 GLY 11 N 0.0163 0.0093 0.0133 139 GLY 11 HN 0.0157 0.0062 0.0119 140 GLY 11 CA 0.0136 0.0134 0.0106 141 GLY 11 HA1 0.0146 0.0165 0.0125 142 GLY 11 HA2 0.0122 0.0150 0.0092 143 GLY 11 C 0.0110 0.0115 0.0070 144 GLY 11 O 0.0085 0.0146 0.0045 145 HIS 12 N 0.0116 0.0088 0.0035 146 HIS 12 HN 0.0143 0.0063 0.0054 147 HIS 12 CA 0.0053 0.0076 0.0018 148 HIS 12 HA 0.0039 0.0118 -0.0003 149 HIS 12 CB 0.0045 0.0032 0.0031 150 HIS 12 HB1 -0.0004 0.0018 0.0019 151 HIS 12 HB2 0.0067 -0.0008 0.0053 152 HIS 12 CD2 0.0042 0.0046 0.0025 153 HIS 12 HD2 0.0001 0.0020 0.0019 154 HIS 12 CG 0.0068 0.0054 0.0031 155 HIS 12 NE2 0.0080 0.0078 0.0027 156 HIS 12 HE2 0.0075 0.0081 0.0024 157 HIS 12 ND1 0.0122 0.0090 0.0037 158 HIS 12 HD1 0.0150 0.0103 0.0042 159 HIS 12 CE1 0.0127 0.0104 0.0034 160 HIS 12 HE1 0.0164 0.0133 0.0036 161 HIS 12 C 0.0012 0.0052 0.0012 162 HIS 12 O 0.0030 0.0020 0.0030 163 PHE 13 N 0.0005 -0.0007 0.0013 164 PHE 13 HN 0.0000 -0.0009 0.0007 165 PHE 13 CA 0.0008 -0.0006 0.0012 166 PHE 13 HA 0.0015 -0.0003 0.0015 167 PHE 13 CB 0.0008 -0.0003 -0.0000 168 PHE 13 HB1 0.0011 -0.0001 -0.0001 169 PHE 13 HB2 0.0000 -0.0006 -0.0004 170 PHE 13 CG 0.0013 0.0001 -0.0006 171 PHE 13 CD1 0.0023 0.0006 -0.0002 172 PHE 13 HD1 0.0027 0.0006 0.0004 173 PHE 13 CE1 0.0028 0.0010 -0.0007 174 PHE 13 HE1 0.0036 0.0013 -0.0004 175 PHE 13 CZ 0.0024 0.0009 -0.0015 176 PHE 13 HZ 0.0028 0.0012 -0.0019 177 PHE 13 CD2 0.0009 0.0001 -0.0014 178 PHE 13 HD2 0.0001 -0.0002 -0.0016 179 PHE 13 CE2 0.0014 0.0005 -0.0018 180 PHE 13 HE2 0.0011 0.0005 -0.0025 181 PHE 13 C 0.0001 -0.0010 0.0017 182 PHE 13 O -0.0007 -0.0015 0.0017 183 LEU 14 N -0.0021 -0.0022 0.0013 184 LEU 14 HN -0.0024 -0.0013 0.0014 185 LEU 14 CA -0.0019 -0.0027 0.0003 186 LEU 14 HA -0.0016 -0.0036 0.0005 187 LEU 14 CB -0.0021 -0.0020 -0.0001 188 LEU 14 HB1 -0.0019 -0.0024 -0.0009 189 LEU 14 HB2 -0.0024 -0.0011 -0.0004 190 LEU 14 CG -0.0022 -0.0018 0.0009 191 LEU 14 HG -0.0024 -0.0013 0.0017 192 LEU 14 CD1 -0.0024 -0.0012 0.0005 193 LEU 14 HD11 -0.0022 -0.0016 -0.0003 194 LEU 14 HD12 -0.0025 -0.0010 0.0012 195 LEU 14 HD13 -0.0026 -0.0003 0.0001 196 LEU 14 CD2 -0.0018 -0.0030 0.0015 197 LEU 14 HD21 -0.0017 -0.0035 0.0020 198 LEU 14 HD22 -0.0019 -0.0029 0.0022 199 LEU 14 HD23 -0.0016 -0.0036 0.0008 200 LEU 14 C -0.0018 -0.0028 -0.0008 201 LEU 14 O -0.0020 -0.0020 -0.0011 202 SER 15 N -0.0028 -0.0057 0.0004 203 SER 15 HN -0.0032 -0.0065 0.0011 204 SER 15 CA -0.0030 -0.0059 -0.0011 205 SER 15 HA -0.0026 -0.0050 -0.0017 206 SER 15 CB -0.0032 -0.0062 -0.0017 207 SER 15 HB1 -0.0035 -0.0064 -0.0028 208 SER 15 HB2 -0.0036 -0.0070 -0.0010 209 SER 15 OG -0.0026 -0.0051 -0.0016 210 SER 15 HG1 -0.0023 -0.0046 -0.0007 211 SER 15 C -0.0036 -0.0069 -0.0016 212 SER 15 O -0.0041 -0.0078 -0.0009 213 ALA 16 N -0.0019 -0.0089 -0.0001 214 ALA 16 HN -0.0010 -0.0089 -0.0008 215 ALA 16 CA -0.0013 -0.0088 -0.0006 216 ALA 16 HA -0.0022 -0.0087 0.0003 217 ALA 16 CB 0.0003 -0.0071 -0.0010 218 ALA 16 HB1 0.0000 -0.0057 0.0000 219 ALA 16 HB2 0.0014 -0.0072 -0.0019 220 ALA 16 HB3 0.0009 -0.0069 -0.0013 221 ALA 16 C -0.0009 -0.0107 -0.0019 222 ALA 16 O -0.0001 -0.0115 -0.0030 223 GLU 17 N 0.0032 -0.0149 -0.0014 224 GLU 17 HN 0.0019 -0.0129 0.0001 225 GLU 17 CA 0.0028 -0.0161 -0.0026 226 GLU 17 HA 0.0052 -0.0177 -0.0037 227 GLU 17 CB -0.0010 -0.0173 -0.0044 228 GLU 17 HB1 -0.0016 -0.0175 -0.0047 229 GLU 17 HB2 -0.0033 -0.0158 -0.0035 230 GLU 17 CG -0.0012 -0.0204 -0.0073 231 GLU 17 HG1 -0.0008 -0.0204 -0.0072 232 GLU 17 HG2 0.0010 -0.0220 -0.0083 233 GLU 17 CD -0.0051 -0.0213 -0.0088 234 GLU 17 OE1 -0.0068 -0.0227 -0.0104 235 GLU 17 OE2 -0.0068 -0.0203 -0.0082 236 GLU 17 C 0.0028 -0.0138 -0.0005 237 GLU 17 O 0.0007 -0.0116 0.0011 238 GLY 18 N 0.0088 -0.0122 0.0084 239 GLY 18 HN 0.0093 -0.0146 0.0094 240 GLY 18 CA 0.0115 -0.0095 0.0088 241 GLY 18 HA1 0.0114 -0.0088 0.0085 242 GLY 18 HA2 0.0138 -0.0106 0.0101 243 GLY 18 C 0.0115 -0.0063 0.0078 244 GLY 18 O 0.0123 -0.0063 0.0081 245 GLU 19 N 0.0124 -0.0088 0.0081 246 GLU 19 HN 0.0122 -0.0088 0.0079 247 GLU 19 CA 0.0122 -0.0052 0.0060 248 GLU 19 HA 0.0131 -0.0052 0.0065 249 GLU 19 CB 0.0150 -0.0016 0.0056 250 GLU 19 HB1 0.0147 0.0012 0.0039 251 GLU 19 HB2 0.0141 -0.0015 0.0050 252 GLU 19 CG 0.0194 -0.0017 0.0081 253 GLU 19 HG1 0.0199 -0.0044 0.0098 254 GLU 19 HG2 0.0203 -0.0017 0.0086 255 GLU 19 CD 0.0220 0.0019 0.0075 256 GLU 19 OE1 0.0211 0.0052 0.0052 257 GLU 19 OE2 0.0248 0.0014 0.0094 258 GLU 19 C 0.0081 -0.0044 0.0032 259 GLU 19 O 0.0075 -0.0012 0.0012 260 ALA 20 N 0.0042 -0.0080 0.0015 261 ALA 20 HN 0.0045 -0.0097 0.0017 262 ALA 20 CA 0.0018 -0.0073 0.0015 263 ALA 20 HA 0.0018 -0.0055 0.0013 264 ALA 20 CB 0.0007 -0.0076 0.0016 265 ALA 20 HB1 -0.0011 -0.0069 0.0016 266 ALA 20 HB2 0.0017 -0.0067 0.0014 267 ALA 20 HB3 0.0006 -0.0095 0.0018 268 ALA 20 C 0.0005 -0.0085 0.0017 269 ALA 20 O 0.0012 -0.0101 0.0019 270 VAL 21 N -0.0020 -0.0075 0.0013 271 VAL 21 HN -0.0025 -0.0067 0.0018 272 VAL 21 CA -0.0026 -0.0077 0.0015 273 VAL 21 HA -0.0020 -0.0086 0.0010 274 VAL 21 CB -0.0025 -0.0060 0.0019 275 VAL 21 HB -0.0032 -0.0051 0.0025 276 VAL 21 CG1 -0.0030 -0.0062 0.0021 277 VAL 21 HG11 -0.0043 -0.0068 0.0025 278 VAL 21 HG12 -0.0022 -0.0070 0.0015 279 VAL 21 HG13 -0.0029 -0.0050 0.0024 280 VAL 21 CG2 -0.0007 -0.0051 0.0014 281 VAL 21 HG21 -0.0005 -0.0039 0.0017 282 VAL 21 HG22 0.0002 -0.0060 0.0008 283 VAL 21 HG23 -0.0003 -0.0048 0.0014 284 VAL 21 C -0.0044 -0.0084 0.0021 285 VAL 21 O -0.0053 -0.0078 0.0026 286 LYS 22 N -0.0062 -0.0110 -0.0001 287 LYS 22 HN -0.0050 -0.0104 -0.0016 288 LYS 22 CA -0.0079 -0.0122 0.0011 289 LYS 22 HA -0.0088 -0.0124 0.0032 290 LYS 22 CB -0.0094 -0.0145 -0.0010 291 LYS 22 HB1 -0.0100 -0.0152 -0.0013 292 LYS 22 HB2 -0.0107 -0.0154 0.0000 293 LYS 22 CG -0.0082 -0.0144 -0.0039 294 LYS 22 HG1 -0.0082 -0.0144 -0.0037 295 LYS 22 HG2 -0.0064 -0.0128 -0.0043 296 LYS 22 CD -0.0090 -0.0161 -0.0064 297 LYS 22 HD1 -0.0078 -0.0157 -0.0083 298 LYS 22 HD2 -0.0089 -0.0161 -0.0065 299 LYS 22 CE -0.0113 -0.0184 -0.0065 300 LYS 22 HE1 -0.0125 -0.0190 -0.0048 301 LYS 22 HE2 -0.0114 -0.0184 -0.0062 302 LYS 22 NZ -0.0117 -0.0199 -0.0093 303 LYS 22 HZ1 -0.0131 -0.0214 -0.0096 304 LYS 22 HZ2 -0.0116 -0.0200 -0.0098 305 LYS 22 HZ3 -0.0103 -0.0191 -0.0109 306 LYS 22 C -0.0068 -0.0109 0.0016 307 LYS 22 O -0.0049 -0.0096 0.0003 308 THR 23 N -0.0076 -0.0115 0.0008 309 THR 23 HN -0.0081 -0.0133 0.0019 310 THR 23 CA -0.0057 -0.0094 0.0015 311 THR 23 HA -0.0048 -0.0077 0.0011 312 THR 23 CB -0.0044 -0.0101 0.0045 313 THR 23 HB -0.0052 -0.0119 0.0050 314 THR 23 OG1 -0.0038 -0.0108 0.0060 315 THR 23 HG1 -0.0031 -0.0114 0.0079 316 THR 23 CG2 -0.0024 -0.0079 0.0052 317 THR 23 HG21 -0.0014 -0.0084 0.0074 318 THR 23 HG22 -0.0026 -0.0075 0.0043 319 THR 23 HG23 -0.0015 -0.0062 0.0046 320 THR 23 C -0.0062 -0.0087 -0.0001 321 THR 23 O -0.0076 -0.0103 -0.0005 322 HIS 24 N -0.0024 -0.0028 -0.0018 323 HIS 24 HN -0.0019 -0.0038 -0.0017 324 HIS 24 CA -0.0027 -0.0010 -0.0025 325 HIS 24 HA -0.0030 -0.0001 -0.0028 326 HIS 24 CB -0.0043 -0.0006 -0.0017 327 HIS 24 HB1 -0.0040 -0.0016 -0.0014 328 HIS 24 HB2 -0.0054 -0.0009 -0.0009 329 HIS 24 CD2 -0.0055 0.0018 -0.0021 330 HIS 24 HD2 -0.0057 0.0010 -0.0016 331 HIS 24 CG -0.0048 0.0012 -0.0023 332 HIS 24 NE2 -0.0058 0.0036 -0.0028 333 HIS 24 HE2 -0.0064 0.0045 -0.0028 334 HIS 24 ND1 -0.0047 0.0027 -0.0031 335 HIS 24 HD1 -0.0043 0.0027 -0.0033 336 HIS 24 CE1 -0.0053 0.0041 -0.0034 337 HIS 24 HE1 -0.0055 0.0055 -0.0040 338 HIS 24 C -0.0012 -0.0006 -0.0037 339 HIS 24 O -0.0003 -0.0017 -0.0037 340 HIS 25 N -0.0052 0.0042 -0.0087 341 HIS 25 HN -0.0079 0.0066 -0.0087 342 HIS 25 CA -0.0010 0.0060 -0.0125 343 HIS 25 HA 0.0025 0.0031 -0.0126 344 HIS 25 CB -0.0007 0.0103 -0.0157 345 HIS 25 HB1 0.0002 0.0090 -0.0153 346 HIS 25 HB2 0.0023 0.0119 -0.0186 347 HIS 25 CD2 -0.0072 0.0187 -0.0176 348 HIS 25 HD2 -0.0053 0.0202 -0.0197 349 HIS 25 CG -0.0057 0.0144 -0.0155 350 HIS 25 NE2 -0.0120 0.0211 -0.0163 351 HIS 25 HE2 -0.0143 0.0244 -0.0172 352 HIS 25 ND1 -0.0093 0.0140 -0.0130 353 HIS 25 HD1 -0.0092 0.0112 -0.0112 354 HIS 25 CE1 -0.0131 0.0181 -0.0136 355 HIS 25 HE1 -0.0166 0.0190 -0.0120 356 HIS 25 C -0.0012 0.0076 -0.0135 357 HIS 25 O 0.0027 0.0076 -0.0158 358 GLY 26 N -0.0013 0.0072 -0.0094 359 GLY 26 HN -0.0030 0.0095 -0.0070 360 GLY 26 CA -0.0005 0.0052 -0.0083 361 GLY 26 HA1 0.0014 0.0014 -0.0080 362 GLY 26 HA2 -0.0018 0.0064 -0.0047 363 GLY 26 C -0.0003 0.0065 -0.0122 364 GLY 26 O -0.0016 0.0101 -0.0151 365 HIS 27 N -0.0006 -0.0046 -0.0114 366 HIS 27 HN -0.0015 -0.0114 -0.0077 367 HIS 27 CA -0.0007 -0.0051 -0.0113 368 HIS 27 HA -0.0013 -0.0145 -0.0122 369 HIS 27 CB 0.0008 0.0015 -0.0212 370 HIS 27 HB1 0.0006 -0.0000 -0.0203 371 HIS 27 HB2 0.0015 0.0111 -0.0207 372 HIS 27 CD2 0.0029 0.0024 -0.0422 373 HIS 27 HD2 0.0036 0.0114 -0.0428 374 HIS 27 CG 0.0016 -0.0031 -0.0330 375 HIS 27 NE2 0.0030 -0.0061 -0.0508 376 HIS 27 HE2 0.0038 -0.0051 -0.0585 377 HIS 27 ND1 0.0009 -0.0149 -0.0359 378 HIS 27 HD1 -0.0001 -0.0210 -0.0308 379 HIS 27 CE1 0.0018 -0.0163 -0.0466 380 HIS 27 HE1 0.0016 -0.0247 -0.0514 381 HIS 27 C -0.0015 -0.0012 0.0009 382 HIS 27 O -0.0013 0.0076 0.0052 383 HIS 28 N -0.0035 -0.0067 0.0153 384 HIS 28 HN -0.0068 -0.0116 0.0137 385 HIS 28 CA -0.0030 -0.0056 0.0254 386 HIS 28 HA -0.0066 -0.0109 0.0287 387 HIS 28 CB 0.0015 0.0013 0.0306 388 HIS 28 HB1 0.0006 -0.0001 0.0304 389 HIS 28 HB2 0.0015 0.0014 0.0383 390 HIS 28 CD2 0.0106 0.0145 0.0238 391 HIS 28 HD2 0.0099 0.0134 0.0228 392 HIS 28 CG 0.0072 0.0096 0.0269 393 HIS 28 NE2 0.0155 0.0218 0.0216 394 HIS 28 HE2 0.0187 0.0265 0.0192 395 HIS 28 ND1 0.0102 0.0140 0.0268 396 HIS 28 HD1 0.0089 0.0122 0.0288 397 HIS 28 CE1 0.0151 0.0212 0.0235 398 HIS 28 HE1 0.0181 0.0257 0.0222 399 HIS 28 C -0.0031 -0.0057 0.0283 400 HIS 28 O -0.0050 -0.0082 0.0362 401 ASP 29 N -0.0001 -0.0008 0.0075 402 ASP 29 HN 0.0006 -0.0001 0.0060 403 ASP 29 CA 0.0001 -0.0006 0.0075 404 ASP 29 HA 0.0008 -0.0000 0.0094 405 ASP 29 CB 0.0015 0.0009 0.0052 406 ASP 29 HB1 0.0017 0.0011 0.0051 407 ASP 29 HB2 0.0009 0.0004 0.0032 408 ASP 29 CG 0.0036 0.0028 0.0057 409 ASP 29 OD1 0.0047 0.0039 0.0037 410 ASP 29 OD2 0.0041 0.0031 0.0081 411 ASP 29 C -0.0019 -0.0024 0.0072 412 ASP 29 O -0.0033 -0.0036 0.0058 413 HIS 30 N 0.0012 0.0002 0.0031 414 HIS 30 HN -0.0002 -0.0007 0.0019 415 HIS 30 CA -0.0021 0.0009 0.0012 416 HIS 30 HA -0.0008 0.0035 0.0029 417 HIS 30 CB -0.0073 0.0033 -0.0014 418 HIS 30 HB1 -0.0096 0.0040 -0.0028 419 HIS 30 HB2 -0.0087 0.0005 -0.0033 420 HIS 30 CD2 -0.0089 0.0101 -0.0003 421 HIS 30 HD2 -0.0100 0.0077 -0.0018 422 HIS 30 CG -0.0076 0.0087 0.0001 423 HIS 30 NE2 -0.0086 0.0156 0.0017 424 HIS 30 HE2 -0.0093 0.0179 0.0020 425 HIS 30 ND1 -0.0066 0.0131 0.0022 426 HIS 30 HD1 -0.0056 0.0133 0.0029 427 HIS 30 CE1 -0.0072 0.0172 0.0031 428 HIS 30 HE1 -0.0066 0.0213 0.0049 429 HIS 30 C -0.0021 -0.0046 -0.0006 430 HIS 30 O -0.0020 -0.0088 -0.0019 431 HIS 31 N 0.0019 -0.0076 -0.0011 432 HIS 31 HN 0.0017 -0.0074 -0.0010 433 HIS 31 CA 0.0018 -0.0072 -0.0013 434 HIS 31 HA 0.0018 -0.0076 -0.0011 435 HIS 31 CB 0.0012 -0.0067 -0.0009 436 HIS 31 HB1 0.0011 -0.0063 -0.0010 437 HIS 31 HB2 0.0011 -0.0064 -0.0010 438 HIS 31 CD2 0.0006 -0.0072 0.0002 439 HIS 31 HD2 0.0007 -0.0073 0.0001 440 HIS 31 CG 0.0008 -0.0070 -0.0002 441 HIS 31 NE2 0.0003 -0.0074 0.0008 442 HIS 31 HE2 0.0001 -0.0077 0.0012 443 HIS 31 ND1 0.0006 -0.0070 0.0001 444 HIS 31 HD1 0.0007 -0.0069 -0.0001 445 HIS 31 CE1 0.0003 -0.0073 0.0007 446 HIS 31 HE1 0.0000 -0.0074 0.0011 447 HIS 31 C 0.0021 -0.0068 -0.0019 448 HIS 31 O 0.0023 -0.0066 -0.0023 449 THR 32 N 0.0017 -0.0042 -0.0052 450 THR 32 HN 0.0006 -0.0046 -0.0043 451 THR 32 CA 0.0024 -0.0031 -0.0047 452 THR 32 HA 0.0030 -0.0033 -0.0060 453 THR 32 CB 0.0012 -0.0033 -0.0031 454 THR 32 HB 0.0005 -0.0031 -0.0018 455 THR 32 OG1 -0.0000 -0.0050 -0.0039 456 THR 32 HG1 -0.0001 -0.0056 -0.0048 457 THR 32 CG2 0.0020 -0.0023 -0.0027 458 THR 32 HG21 0.0010 -0.0026 -0.0016 459 THR 32 HG22 0.0029 -0.0009 -0.0020 460 THR 32 HG23 0.0026 -0.0025 -0.0040 461 THR 32 C 0.0037 -0.0013 -0.0039 462 THR 32 O 0.0034 -0.0008 -0.0025 463 HIS 33 N 0.0095 -0.0015 -0.0061 464 HIS 33 HN 0.0124 -0.0028 -0.0081 465 HIS 33 CA 0.0102 0.0031 -0.0053 466 HIS 33 HA 0.0070 0.0037 -0.0033 467 HIS 33 CB 0.0141 0.0028 -0.0077 468 HIS 33 HB1 0.0148 0.0065 -0.0071 469 HIS 33 HB2 0.0176 0.0023 -0.0097 470 HIS 33 CD2 0.0091 -0.0053 -0.0068 471 HIS 33 HD2 0.0058 -0.0056 -0.0050 472 HIS 33 CG 0.0130 -0.0017 -0.0081 473 HIS 33 NE2 0.0101 -0.0086 -0.0082 474 HIS 33 HE2 0.0080 -0.0119 -0.0078 475 HIS 33 ND1 0.0164 -0.0027 -0.0103 476 HIS 33 HD1 0.0196 -0.0007 -0.0117 477 HIS 33 CE1 0.0145 -0.0069 -0.0103 478 HIS 33 HE1 0.0163 -0.0089 -0.0118 479 HIS 33 C 0.0115 0.0078 -0.0049 480 HIS 33 O 0.0147 0.0079 -0.0067 481 PHE 34 N 0.0051 0.0064 -0.0020 482 PHE 34 HN 0.0054 0.0068 -0.0011 483 PHE 34 CA 0.0050 0.0065 -0.0005 484 PHE 34 HA 0.0041 0.0055 -0.0012 485 PHE 34 CB 0.0043 0.0061 0.0022 486 PHE 34 HB1 0.0044 0.0064 0.0033 487 PHE 34 HB2 0.0050 0.0070 0.0030 488 PHE 34 CG 0.0025 0.0042 0.0024 489 PHE 34 CD1 0.0012 0.0028 0.0020 490 PHE 34 HD1 0.0016 0.0031 0.0016 491 PHE 34 CE1 -0.0005 0.0010 0.0023 492 PHE 34 HE1 -0.0014 -0.0000 0.0021 493 PHE 34 CZ -0.0009 0.0006 0.0030 494 PHE 34 HZ -0.0022 -0.0007 0.0032 495 PHE 34 CD2 0.0020 0.0038 0.0030 496 PHE 34 HD2 0.0029 0.0048 0.0033 497 PHE 34 CE2 0.0003 0.0020 0.0033 498 PHE 34 HE2 -0.0001 0.0017 0.0038 499 PHE 34 C 0.0067 0.0083 -0.0006 500 PHE 34 O 0.0079 0.0097 -0.0001 501 HIS 35 N 0.0034 0.0061 0.0020 502 HIS 35 HN 0.0009 0.0035 0.0011 503 HIS 35 CA 0.0061 0.0092 0.0013 504 HIS 35 HA 0.0088 0.0120 0.0018 505 HIS 35 CB 0.0056 0.0093 -0.0044 506 HIS 35 HB1 0.0073 0.0112 -0.0048 507 HIS 35 HB2 0.0027 0.0063 -0.0052 508 HIS 35 CD2 0.0041 0.0087 -0.0109 509 HIS 35 HD2 0.0013 0.0056 -0.0105 510 HIS 35 CG 0.0064 0.0107 -0.0084 511 HIS 35 NE2 0.0060 0.0111 -0.0145 512 HIS 35 HE2 0.0051 0.0104 -0.0168 513 HIS 35 ND1 0.0096 0.0145 -0.0105 514 HIS 35 HD1 0.0118 0.0167 -0.0096 515 HIS 35 CE1 0.0092 0.0146 -0.0141 516 HIS 35 HE1 0.0114 0.0172 -0.0164 517 HIS 35 C 0.0060 0.0084 0.0053 518 HIS 35 O 0.0032 0.0053 0.0059 519 VAL 36 N -0.0019 0.0128 0.0058 520 VAL 36 HN -0.0027 0.0147 0.0070 521 VAL 36 CA -0.0020 0.0112 0.0037 522 VAL 36 HA -0.0003 0.0091 0.0033 523 VAL 36 CB -0.0020 0.0122 0.0049 524 VAL 36 HB -0.0036 0.0143 0.0054 525 VAL 36 CG1 -0.0022 0.0106 0.0027 526 VAL 36 HG11 -0.0041 0.0110 0.0007 527 VAL 36 HG12 -0.0006 0.0084 0.0020 528 VAL 36 HG13 -0.0020 0.0112 0.0037 529 VAL 36 CG2 0.0006 0.0118 0.0078 530 VAL 36 HG21 0.0023 0.0097 0.0073 531 VAL 36 HG22 0.0008 0.0130 0.0095 532 VAL 36 HG23 0.0006 0.0126 0.0087 533 VAL 36 C -0.0044 0.0115 0.0008 534 VAL 36 O -0.0065 0.0137 0.0008 535 GLU 37 N -0.0112 0.0075 0.0015 536 GLU 37 HN -0.0091 0.0056 0.0014 537 GLU 37 CA -0.0135 0.0076 -0.0018 538 GLU 37 HA -0.0157 0.0098 -0.0015 539 GLU 37 CB -0.0125 0.0060 -0.0031 540 GLU 37 HB1 -0.0104 0.0037 -0.0038 541 GLU 37 HB2 -0.0120 0.0068 -0.0009 542 GLU 37 CG -0.0150 0.0064 -0.0063 543 GLU 37 HG1 -0.0172 0.0086 -0.0058 544 GLU 37 HG2 -0.0154 0.0053 -0.0088 545 GLU 37 CD -0.0141 0.0052 -0.0070 546 GLU 37 OE1 -0.0121 0.0025 -0.0085 547 GLU 37 OE2 -0.0152 0.0068 -0.0059 548 GLU 37 C -0.0139 0.0064 -0.0046 549 GLU 37 O -0.0116 0.0042 -0.0050 550 ASN 38 N -0.0259 0.0142 -0.0086 551 ASN 38 HN -0.0301 0.0182 -0.0081 552 ASN 38 CA -0.0274 0.0120 -0.0152 553 ASN 38 HA -0.0233 0.0095 -0.0130 554 ASN 38 CB -0.0347 0.0178 -0.0165 555 ASN 38 HB1 -0.0340 0.0202 -0.0109 556 ASN 38 HB2 -0.0361 0.0160 -0.0223 557 ASN 38 CG -0.0409 0.0230 -0.0173 558 ASN 38 OD1 -0.0431 0.0218 -0.0233 559 ASN 38 ND2 -0.0440 0.0292 -0.0111 560 ASN 38 HD21 -0.0482 0.0325 -0.0118 561 ASN 38 HD22 -0.0424 0.0302 -0.0063 562 ASN 38 C -0.0264 0.0067 -0.0236 563 ASN 38 O -0.0277 0.0064 -0.0261 564 HIS 39 N -0.0252 0.0064 -0.0165 565 HIS 39 HN -0.0254 0.0067 -0.0157 566 HIS 39 CA -0.0228 0.0038 -0.0209 567 HIS 39 HA -0.0244 0.0043 -0.0230 568 HIS 39 CB -0.0176 0.0012 -0.0192 569 HIS 39 HB1 -0.0156 -0.0008 -0.0226 570 HIS 39 HB2 -0.0161 0.0011 -0.0164 571 HIS 39 CD2 -0.0162 0.0023 -0.0118 572 HIS 39 HD2 -0.0164 0.0033 -0.0083 573 HIS 39 CG -0.0168 0.0014 -0.0168 574 HIS 39 NE2 -0.0155 0.0018 -0.0118 575 HIS 39 HE2 -0.0154 0.0025 -0.0088 576 HIS 39 ND1 -0.0163 0.0003 -0.0200 577 HIS 39 HD1 -0.0165 -0.0006 -0.0239 578 HIS 39 CE1 -0.0156 0.0006 -0.0168 579 HIS 39 HE1 -0.0151 0.0001 -0.0181 580 HIS 39 C -0.0232 0.0031 -0.0246 581 HIS 39 O -0.0200 0.0007 -0.0270 582 GLY 40 N -0.0357 0.0154 -0.0363 583 GLY 40 HN -0.0395 0.0210 -0.0341 584 GLY 40 CA -0.0365 0.0151 -0.0393 585 GLY 40 HA1 -0.0334 0.0093 -0.0444 586 GLY 40 HA2 -0.0418 0.0206 -0.0428 587 GLY 40 C -0.0343 0.0159 -0.0302 588 GLY 40 O -0.0357 0.0207 -0.0223 589 GLY 41 N -0.0255 0.0031 -0.0196 590 GLY 41 HN -0.0268 -0.0018 -0.0236 591 GLY 41 CA -0.0202 0.0029 -0.0125 592 GLY 41 HA1 -0.0188 -0.0025 -0.0130 593 GLY 41 HA2 -0.0210 0.0088 -0.0106 594 GLY 41 C -0.0155 0.0021 -0.0064 595 GLY 41 O -0.0116 0.0042 -0.0000 596 LYS 42 N -0.0072 -0.0040 -0.0015 597 LYS 42 HN -0.0087 -0.0044 -0.0029 598 LYS 42 CA -0.0065 -0.0038 -0.0009 599 LYS 42 HA -0.0049 -0.0027 0.0005 600 LYS 42 CB -0.0066 -0.0068 -0.0002 601 LYS 42 HB1 -0.0066 -0.0065 -0.0003 602 LYS 42 HB2 -0.0081 -0.0081 -0.0014 603 LYS 42 CG -0.0048 -0.0082 0.0020 604 LYS 42 HG1 -0.0048 -0.0085 0.0021 605 LYS 42 HG2 -0.0034 -0.0067 0.0030 606 LYS 42 CD -0.0047 -0.0110 0.0027 607 LYS 42 HD1 -0.0031 -0.0116 0.0044 608 LYS 42 HD2 -0.0048 -0.0105 0.0025 609 LYS 42 CE -0.0063 -0.0135 0.0017 610 LYS 42 HE1 -0.0062 -0.0154 0.0023 611 LYS 42 HE2 -0.0079 -0.0130 0.0000 612 LYS 42 NZ -0.0062 -0.0143 0.0021 613 LYS 42 HZ1 -0.0072 -0.0162 0.0015 614 LYS 42 HZ2 -0.0047 -0.0147 0.0037 615 LYS 42 HZ3 -0.0065 -0.0127 0.0014 616 LYS 42 C -0.0078 -0.0019 -0.0026 617 LYS 42 O -0.0096 -0.0019 -0.0044 618 VAL 43 N -0.0079 -0.0009 -0.0019 619 VAL 43 HN -0.0063 -0.0011 -0.0001 620 VAL 43 CA -0.0089 0.0011 -0.0018 621 VAL 43 HA -0.0109 0.0018 -0.0036 622 VAL 43 CB -0.0085 0.0041 0.0008 623 VAL 43 HB -0.0095 0.0056 0.0006 624 VAL 43 CG1 -0.0095 0.0059 0.0008 625 VAL 43 HG11 -0.0094 0.0082 0.0025 626 VAL 43 HG12 -0.0115 0.0064 -0.0012 627 VAL 43 HG13 -0.0084 0.0046 0.0012 628 VAL 43 CG2 -0.0058 0.0033 0.0035 629 VAL 43 HG21 -0.0055 0.0055 0.0053 630 VAL 43 HG22 -0.0046 0.0017 0.0038 631 VAL 43 HG23 -0.0051 0.0022 0.0036 632 VAL 43 C -0.0079 -0.0008 -0.0019 633 VAL 43 O -0.0061 -0.0033 -0.0014 634 ALA 44 N -0.0072 0.0001 -0.0019 635 ALA 44 HN -0.0086 0.0017 -0.0022 636 ALA 44 CA -0.0060 -0.0010 -0.0017 637 ALA 44 HA -0.0044 -0.0027 -0.0014 638 ALA 44 CB -0.0073 -0.0017 -0.0039 639 ALA 44 HB1 -0.0077 -0.0029 -0.0056 640 ALA 44 HB2 -0.0089 -0.0000 -0.0042 641 ALA 44 HB3 -0.0064 -0.0026 -0.0037 642 ALA 44 C -0.0057 0.0008 0.0006 643 ALA 44 O -0.0071 0.0030 0.0011 644 LEU 45 N -0.0026 0.0012 0.0021 645 LEU 45 HN -0.0023 0.0004 0.0020 646 LEU 45 CA -0.0024 0.0018 0.0029 647 LEU 45 HA -0.0027 0.0026 0.0030 648 LEU 45 CB -0.0016 0.0014 0.0039 649 LEU 45 HB1 -0.0015 0.0018 0.0045 650 LEU 45 HB2 -0.0013 0.0005 0.0038 651 LEU 45 CG -0.0015 0.0016 0.0044 652 LEU 45 HG -0.0016 0.0012 0.0038 653 LEU 45 CD1 -0.0007 0.0010 0.0053 654 LEU 45 HD11 -0.0006 0.0011 0.0056 655 LEU 45 HD12 -0.0004 0.0001 0.0050 656 LEU 45 HD13 -0.0005 0.0013 0.0059 657 LEU 45 CD2 -0.0018 0.0028 0.0047 658 LEU 45 HD21 -0.0019 0.0032 0.0049 659 LEU 45 HD22 -0.0024 0.0031 0.0040 660 LEU 45 HD23 -0.0015 0.0029 0.0053 661 LEU 45 C -0.0025 0.0016 0.0026 662 LEU 45 O -0.0022 0.0007 0.0023 663 LYS 46 N -0.0003 0.0005 0.0015 664 LYS 46 HN -0.0002 0.0016 0.0017 665 LYS 46 CA -0.0011 0.0009 0.0009 666 LYS 46 HA -0.0009 -0.0002 0.0010 667 LYS 46 CB -0.0028 0.0010 -0.0004 668 LYS 46 HB1 -0.0030 -0.0002 -0.0007 669 LYS 46 HB2 -0.0034 0.0009 -0.0008 670 LYS 46 CG -0.0034 0.0027 -0.0007 671 LYS 46 HG1 -0.0033 0.0040 -0.0005 672 LYS 46 HG2 -0.0028 0.0029 -0.0002 673 LYS 46 CD -0.0050 0.0025 -0.0019 674 LYS 46 HD1 -0.0051 0.0014 -0.0021 675 LYS 46 HD2 -0.0056 0.0021 -0.0024 676 LYS 46 CE -0.0058 0.0042 -0.0024 677 LYS 46 HE1 -0.0059 0.0054 -0.0024 678 LYS 46 HE2 -0.0053 0.0047 -0.0020 679 LYS 46 NZ -0.0073 0.0038 -0.0036 680 LYS 46 HZ1 -0.0073 0.0031 -0.0036 681 LYS 46 HZ2 -0.0080 0.0049 -0.0041 682 LYS 46 HZ3 -0.0077 0.0029 -0.0040 683 LYS 46 C -0.0006 0.0026 0.0014 684 LYS 46 O -0.0000 0.0038 0.0020 685 THR 47 N 0.0013 0.0005 -0.0012 686 THR 47 HN 0.0007 -0.0004 -0.0014 687 THR 47 CA 0.0014 0.0008 -0.0019 688 THR 47 HA 0.0019 0.0012 -0.0010 689 THR 47 CB 0.0004 -0.0006 -0.0024 690 THR 47 HB 0.0005 -0.0003 -0.0027 691 THR 47 OG1 -0.0002 -0.0012 -0.0037 692 THR 47 HG1 -0.0008 -0.0021 -0.0037 693 THR 47 CG2 -0.0001 -0.0016 -0.0009 694 THR 47 HG21 -0.0003 -0.0019 -0.0005 695 THR 47 HG22 -0.0007 -0.0025 -0.0011 696 THR 47 HG23 0.0004 -0.0011 0.0002 697 THR 47 C 0.0019 0.0018 -0.0035 698 THR 47 O 0.0020 0.0021 -0.0041 699 HIS 48 N 0.0049 0.0004 -0.0082 700 HIS 48 HN 0.0045 -0.0001 -0.0074 701 HIS 48 CA 0.0057 0.0013 -0.0109 702 HIS 48 HA 0.0071 0.0028 -0.0109 703 HIS 48 CB 0.0057 0.0013 -0.0117 704 HIS 48 HB1 0.0066 0.0022 -0.0101 705 HIS 48 HB2 0.0064 0.0020 -0.0137 706 HIS 48 CD2 0.0029 -0.0018 -0.0138 707 HIS 48 HD2 0.0033 -0.0014 -0.0159 708 HIS 48 CG 0.0039 -0.0007 -0.0117 709 HIS 48 NE2 0.0013 -0.0035 -0.0127 710 HIS 48 HE2 0.0004 -0.0046 -0.0137 711 HIS 48 ND1 0.0029 -0.0018 -0.0093 712 HIS 48 HD1 0.0033 -0.0014 -0.0074 713 HIS 48 CE1 0.0014 -0.0035 -0.0100 714 HIS 48 HE1 0.0003 -0.0047 -0.0086 715 HIS 48 C 0.0047 0.0002 -0.0131 716 HIS 48 O 0.0055 0.0010 -0.0152 717 CYS 49 N 0.0021 -0.0006 -0.0077 718 CYS 49 HN 0.0015 -0.0007 -0.0072 719 CYS 49 CA 0.0009 -0.0007 -0.0078 720 CYS 49 HA 0.0015 -0.0006 -0.0088 721 CYS 49 CB -0.0011 -0.0007 -0.0085 722 CYS 49 HB1 -0.0017 -0.0007 -0.0074 723 CYS 49 HB2 -0.0009 -0.0007 -0.0097 724 CYS 49 SG -0.0026 -0.0007 -0.0091 725 CYS 49 HG1 -0.0022 -0.0008 -0.0076 726 CYS 49 C 0.0008 -0.0007 -0.0059 727 CYS 49 O -0.0002 -0.0007 -0.0057 728 GLY 50 N -0.0014 0.0012 -0.0031 729 GLY 50 HN -0.0005 0.0012 -0.0034 730 GLY 50 CA -0.0016 0.0004 -0.0017 731 GLY 50 HA1 -0.0020 0.0005 -0.0017 732 GLY 50 HA2 -0.0005 0.0001 -0.0014 733 GLY 50 C -0.0025 0.0001 -0.0009 734 GLY 50 O -0.0030 -0.0004 0.0002 735 LYS 51 N -0.0014 -0.0004 -0.0001 736 LYS 51 HN -0.0009 0.0001 -0.0004 737 LYS 51 CA -0.0015 -0.0009 0.0001 738 LYS 51 HA -0.0021 -0.0012 0.0003 739 LYS 51 CB -0.0015 -0.0003 -0.0002 740 LYS 51 HB1 -0.0017 -0.0006 0.0000 741 LYS 51 HB2 -0.0008 -0.0000 -0.0004 742 LYS 51 CG -0.0022 0.0005 -0.0004 743 LYS 51 HG1 -0.0021 0.0009 -0.0006 744 LYS 51 HG2 -0.0022 0.0008 -0.0006 745 LYS 51 CD -0.0033 0.0002 -0.0002 746 LYS 51 HD1 -0.0034 -0.0003 0.0001 747 LYS 51 HD2 -0.0033 -0.0001 -0.0000 748 LYS 51 CE -0.0039 0.0010 -0.0004 749 LYS 51 HE1 -0.0037 0.0015 -0.0007 750 LYS 51 HE2 -0.0040 0.0012 -0.0005 751 LYS 51 NZ -0.0049 0.0007 -0.0002 752 LYS 51 HZ1 -0.0054 0.0012 -0.0004 753 LYS 51 HZ2 -0.0049 0.0006 -0.0002 754 LYS 51 HZ3 -0.0051 0.0002 0.0000 755 LYS 51 C -0.0007 -0.0015 0.0003 756 LYS 51 O 0.0001 -0.0014 0.0001 757 TYR 52 N -0.0017 -0.0011 0.0016 758 TYR 52 HN -0.0015 -0.0014 0.0012 759 TYR 52 CA -0.0018 -0.0013 0.0010 760 TYR 52 HA -0.0024 -0.0009 0.0014 761 TYR 52 CB -0.0024 -0.0017 -0.0004 762 TYR 52 HB1 -0.0023 -0.0021 -0.0009 763 TYR 52 HB2 -0.0020 -0.0021 -0.0008 764 TYR 52 CG -0.0038 -0.0012 -0.0005 765 TYR 52 CD1 -0.0042 -0.0009 -0.0003 766 TYR 52 HD1 -0.0036 -0.0010 0.0001 767 TYR 52 CE1 -0.0055 -0.0004 -0.0004 768 TYR 52 HE1 -0.0058 -0.0001 -0.0002 769 TYR 52 CZ -0.0064 -0.0002 -0.0009 770 TYR 52 OH -0.0077 0.0003 -0.0010 771 TYR 52 HH -0.0082 0.0003 -0.0014 772 TYR 52 CD2 -0.0047 -0.0010 -0.0010 773 TYR 52 HD2 -0.0044 -0.0013 -0.0013 774 TYR 52 CE2 -0.0060 -0.0006 -0.0012 775 TYR 52 HE2 -0.0067 -0.0004 -0.0016 776 TYR 52 C -0.0006 -0.0018 0.0010 777 TYR 52 O 0.0004 -0.0023 0.0009 778 LEU 53 N -0.0001 -0.0011 0.0026 779 LEU 53 HN -0.0002 -0.0009 0.0026 780 LEU 53 CA -0.0002 -0.0011 0.0028 781 LEU 53 HA -0.0002 -0.0014 0.0028 782 LEU 53 CB -0.0005 -0.0010 0.0031 783 LEU 53 HB1 -0.0006 -0.0011 0.0032 784 LEU 53 HB2 -0.0006 -0.0008 0.0030 785 LEU 53 CG -0.0006 -0.0013 0.0033 786 LEU 53 HG -0.0005 -0.0015 0.0033 787 LEU 53 CD1 -0.0005 -0.0012 0.0032 788 LEU 53 HD11 -0.0006 -0.0014 0.0034 789 LEU 53 HD12 -0.0003 -0.0013 0.0030 790 LEU 53 HD13 -0.0006 -0.0010 0.0032 791 LEU 53 CD2 -0.0008 -0.0012 0.0036 792 LEU 53 HD21 -0.0008 -0.0012 0.0037 793 LEU 53 HD22 -0.0009 -0.0014 0.0038 794 LEU 53 HD23 -0.0009 -0.0009 0.0036 795 LEU 53 C -0.0002 -0.0010 0.0026 796 LEU 53 O -0.0002 -0.0007 0.0024 797 SER 54 N 0.0003 0.0018 0.0032 798 SER 54 HN 0.0008 0.0021 0.0036 799 SER 54 CA 0.0007 0.0020 0.0022 800 SER 54 HA 0.0001 0.0017 0.0017 801 SER 54 CB 0.0014 0.0024 0.0027 802 SER 54 HB1 0.0020 0.0028 0.0032 803 SER 54 HB2 0.0009 0.0022 0.0033 804 SER 54 OG 0.0017 0.0027 0.0017 805 SER 54 HG1 0.0012 0.0023 0.0015 806 SER 54 C 0.0013 0.0024 0.0015 807 SER 54 O 0.0018 0.0027 0.0020 808 ILE 55 N 0.0018 0.0065 0.0047 809 ILE 55 HN 0.0017 0.0065 0.0046 810 ILE 55 CA 0.0017 0.0080 0.0028 811 ILE 55 HA 0.0015 0.0076 0.0030 812 ILE 55 CB 0.0001 0.0080 0.0004 813 ILE 55 HB 0.0003 0.0087 -0.0001 814 ILE 55 CG2 -0.0017 0.0055 0.0004 815 ILE 55 HG21 -0.0019 0.0046 0.0011 816 ILE 55 HG22 -0.0016 0.0046 0.0016 817 ILE 55 HG23 -0.0029 0.0054 -0.0013 818 ILE 55 CG1 -0.0003 0.0092 -0.0016 819 ILE 55 HG11 0.0008 0.0111 -0.0020 820 ILE 55 HG12 -0.0016 0.0087 -0.0032 821 ILE 55 CD -0.0002 0.0088 -0.0010 822 ILE 55 HD1 0.0012 0.0095 0.0004 823 ILE 55 HD2 -0.0011 0.0070 -0.0004 824 ILE 55 HD3 -0.0006 0.0096 -0.0025 825 ILE 55 C 0.0035 0.0104 0.0030 826 ILE 55 O 0.0038 0.0120 0.0016 827 GLY 56 N 0.0046 0.0093 0.0009 828 GLY 56 HN 0.0027 0.0058 0.0041 829 GLY 56 CA 0.0101 0.0145 0.0030 830 GLY 56 HA1 0.0121 0.0153 0.0064 831 GLY 56 HA2 0.0103 0.0136 0.0057 832 GLY 56 C 0.0128 0.0197 -0.0027 833 GLY 56 O 0.0107 0.0197 -0.0083 834 ASP 57 N 0.0323 0.0416 -0.0004 835 ASP 57 HN 0.0424 0.0350 0.0157 836 ASP 57 CA 0.0444 0.0599 -0.0175 837 ASP 57 HA 0.0392 0.0685 -0.0330 838 ASP 57 CB 0.0738 0.0673 -0.0075 839 ASP 57 HB1 0.0838 0.0812 -0.0199 840 ASP 57 HB2 0.0792 0.0584 0.0086 841 ASP 57 CG 0.0841 0.0679 -0.0012 842 ASP 57 OD1 0.0701 0.0659 -0.0080 843 ASP 57 OD2 0.1069 0.0711 0.0100 844 ASP 57 C 0.0373 0.0610 -0.0240 845 ASP 57 O 0.0491 0.0746 -0.0347 846 HIS 58 N 0.0200 0.0402 -0.0041 847 HIS 58 HN 0.0193 0.0370 -0.0032 848 HIS 58 CA 0.0139 0.0375 -0.0047 849 HIS 58 HA 0.0121 0.0432 -0.0071 850 HIS 58 CB 0.0186 0.0318 -0.0015 851 HIS 58 HB1 0.0217 0.0265 0.0011 852 HIS 58 HB2 0.0242 0.0359 -0.0016 853 HIS 58 CD2 0.0122 0.0191 0.0013 854 HIS 58 HD2 0.0152 0.0135 0.0040 855 HIS 58 CG 0.0131 0.0276 -0.0014 856 HIS 58 NE2 0.0065 0.0187 0.0001 857 HIS 58 HE2 0.0048 0.0135 0.0015 858 HIS 58 ND1 0.0080 0.0325 -0.0044 859 HIS 58 HD1 0.0074 0.0389 -0.0067 860 HIS 58 CE1 0.0042 0.0270 -0.0034 861 HIS 58 HE1 -0.0001 0.0287 -0.0050 862 HIS 58 C 0.0051 0.0328 -0.0052 863 HIS 58 O 0.0037 0.0307 -0.0048 864 LYS 59 N 0.0014 0.0328 0.0033 865 LYS 59 HN -0.0014 0.0345 0.0031 866 LYS 59 CA -0.0050 0.0289 0.0005 867 LYS 59 HA -0.0042 0.0328 0.0019 868 LYS 59 CB -0.0156 0.0302 -0.0018 869 LYS 59 HB1 -0.0202 0.0266 -0.0040 870 LYS 59 HB2 -0.0163 0.0265 -0.0031 871 LYS 59 CG -0.0196 0.0405 0.0004 872 LYS 59 HG1 -0.0274 0.0405 -0.0016 873 LYS 59 HG2 -0.0162 0.0436 0.0022 874 LYS 59 CD -0.0180 0.0469 0.0027 875 LYS 59 HD1 -0.0218 0.0539 0.0039 876 LYS 59 HD2 -0.0102 0.0481 0.0050 877 LYS 59 CE -0.0209 0.0432 0.0009 878 LYS 59 HE1 -0.0197 0.0487 0.0028 879 LYS 59 HE2 -0.0164 0.0367 0.0000 880 LYS 59 NZ -0.0310 0.0410 -0.0023 881 LYS 59 HZ1 -0.0354 0.0467 -0.0017 882 LYS 59 HZ2 -0.0320 0.0353 -0.0043 883 LYS 59 HZ3 -0.0328 0.0390 -0.0034 884 LYS 59 C -0.0029 0.0186 -0.0021 885 LYS 59 O -0.0045 0.0160 -0.0033 886 GLN 60 N -0.0035 0.0104 0.0009 887 GLN 60 HN -0.0013 0.0114 0.0011 888 GLN 60 CA -0.0031 0.0050 0.0015 889 GLN 60 HA -0.0067 0.0039 0.0012 890 GLN 60 CB -0.0024 0.0008 0.0019 891 GLN 60 HB1 -0.0025 -0.0033 0.0023 892 GLN 60 HB2 0.0016 0.0013 0.0023 893 GLN 60 CG -0.0068 0.0010 0.0015 894 GLN 60 HG1 -0.0066 -0.0027 0.0018 895 GLN 60 HG2 -0.0060 0.0046 0.0012 896 GLN 60 CD -0.0126 0.0017 0.0008 897 GLN 60 OE1 -0.0148 0.0062 0.0002 898 GLN 60 NE2 -0.0152 -0.0028 0.0010 899 GLN 60 HE21 -0.0133 -0.0063 0.0015 900 GLN 60 HE22 -0.0191 -0.0025 0.0005 901 GLN 60 C 0.0017 0.0046 0.0020 902 GLN 60 O 0.0059 0.0070 0.0022 903 VAL 61 N -0.0008 0.0020 0.0024 904 VAL 61 HN -0.0021 0.0011 0.0022 905 VAL 61 CA 0.0004 0.0016 0.0028 906 VAL 61 HA 0.0007 0.0031 0.0025 907 VAL 61 CB -0.0008 0.0001 0.0028 908 VAL 61 HB -0.0014 -0.0014 0.0030 909 VAL 61 CG1 0.0004 -0.0005 0.0033 910 VAL 61 HG11 0.0010 0.0009 0.0032 911 VAL 61 HG12 -0.0006 -0.0015 0.0033 912 VAL 61 HG13 0.0017 -0.0015 0.0040 913 VAL 61 CG2 -0.0028 0.0012 0.0020 914 VAL 61 HG21 -0.0037 0.0001 0.0019 915 VAL 61 HG22 -0.0023 0.0027 0.0017 916 VAL 61 HG23 -0.0038 0.0015 0.0016 917 VAL 61 C 0.0026 0.0008 0.0036 918 VAL 61 O 0.0028 -0.0006 0.0041 919 TYR 62 N 0.0066 0.0041 0.0040 920 TYR 62 HN 0.0053 0.0045 0.0019 921 TYR 62 CA 0.0087 0.0039 0.0056 922 TYR 62 HA 0.0104 0.0037 0.0074 923 TYR 62 CB 0.0107 0.0052 0.0031 924 TYR 62 HB1 0.0091 0.0054 0.0017 925 TYR 62 HB2 0.0118 0.0060 0.0014 926 TYR 62 CG 0.0137 0.0052 0.0049 927 TYR 62 CD1 0.0137 0.0050 0.0054 928 TYR 62 HD1 0.0115 0.0048 0.0046 929 TYR 62 CE1 0.0164 0.0050 0.0071 930 TYR 62 HE1 0.0164 0.0048 0.0077 931 TYR 62 CZ 0.0193 0.0052 0.0082 932 TYR 62 OH 0.0220 0.0051 0.0100 933 TYR 62 HH 0.0231 0.0049 0.0115 934 TYR 62 CD2 0.0166 0.0054 0.0059 935 TYR 62 HD2 0.0166 0.0056 0.0055 936 TYR 62 CE2 0.0193 0.0054 0.0076 937 TYR 62 HE2 0.0215 0.0056 0.0085 938 TYR 62 C 0.0064 0.0028 0.0075 939 TYR 62 O 0.0035 0.0026 0.0065 940 LEU 63 N 0.0038 -0.0010 0.0022 941 LEU 63 HN 0.0042 -0.0012 0.0023 942 LEU 63 CA 0.0042 -0.0016 0.0024 943 LEU 63 HA 0.0038 -0.0012 0.0023 944 LEU 63 CB 0.0039 -0.0028 0.0029 945 LEU 63 HB1 0.0046 -0.0033 0.0030 946 LEU 63 HB2 0.0030 -0.0030 0.0029 947 LEU 63 CG 0.0038 -0.0034 0.0030 948 LEU 63 HG 0.0046 -0.0032 0.0030 949 LEU 63 CD1 0.0026 -0.0030 0.0029 950 LEU 63 HD11 0.0018 -0.0033 0.0030 951 LEU 63 HD12 0.0025 -0.0035 0.0031 952 LEU 63 HD13 0.0026 -0.0021 0.0026 953 LEU 63 CD2 0.0038 -0.0047 0.0035 954 LEU 63 HD21 0.0037 -0.0052 0.0036 955 LEU 63 HD22 0.0031 -0.0050 0.0036 956 LEU 63 HD23 0.0047 -0.0050 0.0036 957 LEU 63 C 0.0056 -0.0014 0.0024 958 LEU 63 O 0.0063 -0.0017 0.0025 959 SER 64 N 0.0012 0.0003 0.0027 960 SER 64 HN 0.0007 0.0002 0.0025 961 SER 64 CA 0.0009 0.0001 0.0023 962 SER 64 HA 0.0015 0.0001 0.0023 963 SER 64 CB 0.0005 -0.0004 0.0013 964 SER 64 HB1 -0.0001 -0.0004 0.0013 965 SER 64 HB2 0.0012 -0.0006 0.0009 966 SER 64 OG 0.0002 -0.0006 0.0009 967 SER 64 HG1 -0.0005 -0.0006 0.0011 968 SER 64 C 0.0000 0.0004 0.0029 969 SER 64 O -0.0006 0.0006 0.0033 970 HIS 65 N -0.0010 0.0014 0.0021 971 HIS 65 HN -0.0006 0.0016 0.0019 972 HIS 65 CA -0.0026 0.0013 0.0035 973 HIS 65 HA -0.0027 0.0014 0.0037 974 HIS 65 CB -0.0030 0.0029 0.0048 975 HIS 65 HB1 -0.0029 0.0028 0.0047 976 HIS 65 HB2 -0.0021 0.0043 0.0048 977 HIS 65 CD2 -0.0059 0.0025 0.0073 978 HIS 65 HD2 -0.0060 0.0021 0.0073 979 HIS 65 CG -0.0046 0.0029 0.0063 980 HIS 65 NE2 -0.0071 0.0026 0.0085 981 HIS 65 HE2 -0.0082 0.0024 0.0094 982 HIS 65 ND1 -0.0049 0.0033 0.0069 983 HIS 65 HD1 -0.0042 0.0036 0.0064 984 HIS 65 CE1 -0.0064 0.0031 0.0082 985 HIS 65 HE1 -0.0071 0.0032 0.0089 986 HIS 65 C -0.0037 -0.0006 0.0035 987 HIS 65 O -0.0038 -0.0010 0.0034 988 HIS 66 N -0.0050 0.0009 0.0019 989 HIS 66 HN -0.0049 0.0013 0.0020 990 HIS 66 CA -0.0056 -0.0011 0.0019 991 HIS 66 HA -0.0058 -0.0016 0.0019 992 HIS 66 CB -0.0070 -0.0015 0.0032 993 HIS 66 HB1 -0.0074 -0.0030 0.0031 994 HIS 66 HB2 -0.0068 -0.0010 0.0032 995 HIS 66 CD2 -0.0090 0.0000 0.0058 996 HIS 66 HD2 -0.0093 0.0001 0.0062 997 HIS 66 CG -0.0080 -0.0006 0.0045 998 HIS 66 NE2 -0.0097 0.0006 0.0067 999 HIS 66 HE2 -0.0105 0.0010 0.0078 1000 HIS 66 ND1 -0.0080 -0.0005 0.0046 1001 HIS 66 HD1 -0.0074 -0.0008 0.0038 1002 HIS 66 CE1 -0.0090 0.0003 0.0059 1003 HIS 66 HE1 -0.0093 0.0006 0.0063 1004 HIS 66 C -0.0046 -0.0021 0.0005 1005 HIS 66 O -0.0035 -0.0014 -0.0005 1006 LEU 67 N -0.0059 -0.0018 -0.0015 1007 LEU 67 HN -0.0072 -0.0018 -0.0014 1008 LEU 67 CA -0.0055 -0.0024 -0.0030 1009 LEU 67 HA -0.0047 -0.0022 -0.0025 1010 LEU 67 CB -0.0074 -0.0028 -0.0037 1011 LEU 67 HB1 -0.0083 -0.0030 -0.0042 1012 LEU 67 HB2 -0.0081 -0.0023 -0.0026 1013 LEU 67 CG -0.0071 -0.0034 -0.0051 1014 LEU 67 HG -0.0067 -0.0039 -0.0064 1015 LEU 67 CD1 -0.0056 -0.0032 -0.0047 1016 LEU 67 HD11 -0.0042 -0.0031 -0.0048 1017 LEU 67 HD12 -0.0058 -0.0026 -0.0034 1018 LEU 67 HD13 -0.0056 -0.0036 -0.0057 1019 LEU 67 CD2 -0.0090 -0.0036 -0.0053 1020 LEU 67 HD21 -0.0089 -0.0040 -0.0064 1021 LEU 67 HD22 -0.0094 -0.0031 -0.0041 1022 LEU 67 HD23 -0.0101 -0.0037 -0.0057 1023 LEU 67 C -0.0042 -0.0029 -0.0043 1024 LEU 67 O -0.0048 -0.0034 -0.0053 1025 HIS 68 N -0.0034 -0.0011 0.0036 1026 HIS 68 HN -0.0033 -0.0010 0.0023 1027 HIS 68 CA -0.0037 0.0003 0.0036 1028 HIS 68 HA -0.0039 0.0009 0.0052 1029 HIS 68 CB -0.0038 0.0021 0.0020 1030 HIS 68 HB1 -0.0035 0.0015 0.0004 1031 HIS 68 HB2 -0.0040 0.0029 0.0023 1032 HIS 68 CD2 -0.0041 0.0047 0.0006 1033 HIS 68 HD2 -0.0039 0.0045 -0.0011 1034 HIS 68 CG -0.0041 0.0037 0.0022 1035 HIS 68 NE2 -0.0044 0.0061 0.0017 1036 HIS 68 HE2 -0.0045 0.0068 0.0011 1037 HIS 68 ND1 -0.0044 0.0045 0.0042 1038 HIS 68 HD1 -0.0044 0.0040 0.0056 1039 HIS 68 CE1 -0.0045 0.0059 0.0038 1040 HIS 68 HE1 -0.0048 0.0067 0.0050 1041 HIS 68 C -0.0034 -0.0009 0.0034 1042 HIS 68 O -0.0031 -0.0024 0.0022 1043 GLY 69 N -0.0086 -0.0029 0.0002 1044 GLY 69 HN -0.0082 -0.0017 0.0010 1045 GLY 69 CA -0.0089 -0.0048 -0.0014 1046 GLY 69 HA1 -0.0091 -0.0048 -0.0012 1047 GLY 69 HA2 -0.0102 -0.0061 -0.0012 1048 GLY 69 C -0.0074 -0.0051 -0.0036 1049 GLY 69 O -0.0077 -0.0067 -0.0050 1050 ASP 70 N -0.0088 -0.0038 0.0001 1051 ASP 70 HN -0.0085 -0.0013 0.0019 1052 ASP 70 CA -0.0051 -0.0041 -0.0035 1053 ASP 70 HA -0.0056 -0.0071 -0.0056 1054 ASP 70 CB -0.0019 -0.0013 -0.0041 1055 ASP 70 HB1 0.0007 -0.0018 -0.0069 1056 ASP 70 HB2 -0.0011 0.0019 -0.0022 1057 ASP 70 CG -0.0035 -0.0021 -0.0033 1058 ASP 70 OD1 -0.0042 -0.0055 -0.0055 1059 ASP 70 OD2 -0.0042 0.0006 -0.0004 1060 ASP 70 C -0.0037 -0.0031 -0.0039 1061 ASP 70 O -0.0046 -0.0008 -0.0013 1062 HIS 71 N -0.0075 -0.0051 -0.0052 1063 HIS 71 HN -0.0070 -0.0070 -0.0067 1064 HIS 71 CA -0.0057 -0.0039 -0.0044 1065 HIS 71 HA -0.0059 -0.0053 -0.0055 1066 HIS 71 CB -0.0020 -0.0036 -0.0044 1067 HIS 71 HB1 -0.0005 -0.0029 -0.0040 1068 HIS 71 HB2 -0.0015 -0.0022 -0.0034 1069 HIS 71 CD2 0.0007 -0.0071 -0.0071 1070 HIS 71 HD2 0.0012 -0.0060 -0.0063 1071 HIS 71 CG -0.0006 -0.0063 -0.0065 1072 HIS 71 NE2 0.0015 -0.0097 -0.0091 1073 HIS 71 HE2 0.0025 -0.0109 -0.0100 1074 HIS 71 ND1 -0.0007 -0.0084 -0.0080 1075 HIS 71 HD1 -0.0016 -0.0084 -0.0079 1076 HIS 71 CE1 0.0006 -0.0104 -0.0095 1077 HIS 71 HE1 0.0009 -0.0124 -0.0110 1078 HIS 71 C -0.0069 -0.0013 -0.0025 1079 HIS 71 O -0.0052 0.0008 -0.0010 1080 SER 72 N -0.0037 -0.0034 -0.0026 1081 SER 72 HN -0.0042 -0.0040 -0.0028 1082 SER 72 CA -0.0042 -0.0030 -0.0017 1083 SER 72 HA -0.0036 -0.0024 -0.0017 1084 SER 72 CB -0.0049 -0.0025 -0.0006 1085 SER 72 HB1 -0.0053 -0.0021 0.0001 1086 SER 72 HB2 -0.0057 -0.0031 -0.0006 1087 SER 72 OG -0.0042 -0.0016 -0.0004 1088 SER 72 HG1 -0.0041 -0.0020 -0.0008 1089 SER 72 C -0.0051 -0.0039 -0.0018 1090 SER 72 O -0.0058 -0.0037 -0.0011 1091 LEU 73 N -0.0051 -0.0101 -0.0040 1092 LEU 73 HN -0.0039 -0.0123 -0.0044 1093 LEU 73 CA -0.0063 -0.0079 -0.0036 1094 LEU 73 HA -0.0077 -0.0055 -0.0033 1095 LEU 73 CB -0.0080 -0.0090 -0.0062 1096 LEU 73 HB1 -0.0092 -0.0070 -0.0060 1097 LEU 73 HB2 -0.0065 -0.0110 -0.0062 1098 LEU 73 CG -0.0101 -0.0101 -0.0091 1099 LEU 73 HG -0.0089 -0.0121 -0.0095 1100 LEU 73 CD1 -0.0114 -0.0113 -0.0114 1101 LEU 73 HD11 -0.0128 -0.0122 -0.0136 1102 LEU 73 HD12 -0.0098 -0.0133 -0.0113 1103 LEU 73 HD13 -0.0127 -0.0093 -0.0113 1104 LEU 73 CD2 -0.0123 -0.0074 -0.0095 1105 LEU 73 HD21 -0.0113 -0.0066 -0.0079 1106 LEU 73 HD22 -0.0137 -0.0083 -0.0116 1107 LEU 73 HD23 -0.0135 -0.0053 -0.0092 1108 LEU 73 C -0.0040 -0.0075 -0.0010 1109 LEU 73 O -0.0019 -0.0099 -0.0006 1110 PHE 74 N -0.0039 -0.0034 0.0022 1111 PHE 74 HN -0.0044 -0.0032 0.0023 1112 PHE 74 CA -0.0031 -0.0033 0.0021 1113 PHE 74 HA -0.0026 -0.0036 0.0020 1114 PHE 74 CB -0.0029 -0.0023 0.0023 1115 PHE 74 HB1 -0.0023 -0.0022 0.0022 1116 PHE 74 HB2 -0.0034 -0.0020 0.0024 1117 PHE 74 CG -0.0028 -0.0019 0.0024 1118 PHE 74 CD1 -0.0035 -0.0016 0.0025 1119 PHE 74 HD1 -0.0041 -0.0017 0.0026 1120 PHE 74 CE1 -0.0034 -0.0013 0.0026 1121 PHE 74 HE1 -0.0040 -0.0011 0.0028 1122 PHE 74 CZ -0.0026 -0.0012 0.0025 1123 PHE 74 HZ -0.0026 -0.0009 0.0026 1124 PHE 74 CD2 -0.0020 -0.0019 0.0023 1125 PHE 74 HD2 -0.0014 -0.0021 0.0021 1126 PHE 74 CE2 -0.0019 -0.0015 0.0023 1127 PHE 74 HE2 -0.0013 -0.0015 0.0023 1128 PHE 74 C -0.0029 -0.0036 0.0020 1129 PHE 74 O -0.0035 -0.0038 0.0021 1130 HIS 75 N -0.0028 -0.0046 0.0056 1131 HIS 75 HN -0.0029 -0.0044 0.0054 1132 HIS 75 CA -0.0002 -0.0050 0.0059 1133 HIS 75 HA -0.0001 -0.0048 0.0058 1134 HIS 75 CB 0.0007 -0.0071 0.0077 1135 HIS 75 HB1 0.0006 -0.0072 0.0078 1136 HIS 75 HB2 -0.0008 -0.0082 0.0086 1137 HIS 75 CD2 0.0052 -0.0069 0.0077 1138 HIS 75 HD2 0.0053 -0.0055 0.0065 1139 HIS 75 CG 0.0033 -0.0078 0.0084 1140 HIS 75 NE2 0.0072 -0.0083 0.0088 1141 HIS 75 HE2 0.0089 -0.0081 0.0087 1142 HIS 75 ND1 0.0041 -0.0097 0.0099 1143 HIS 75 HD1 0.0030 -0.0107 0.0107 1144 HIS 75 CE1 0.0064 -0.0099 0.0102 1145 HIS 75 HE1 0.0076 -0.0112 0.0113 1146 HIS 75 C 0.0017 -0.0034 0.0047 1147 HIS 75 O 0.0020 -0.0031 0.0044 1148 LEU 76 N 0.0014 -0.0030 0.0048 1149 LEU 76 HN 0.0007 -0.0033 0.0049 1150 LEU 76 CA 0.0031 -0.0014 0.0041 1151 LEU 76 HA 0.0032 -0.0007 0.0037 1152 LEU 76 CB 0.0026 0.0003 0.0033 1153 LEU 76 HB1 0.0038 0.0016 0.0027 1154 LEU 76 HB2 0.0028 -0.0004 0.0036 1155 LEU 76 CG 0.0001 0.0012 0.0028 1156 LEU 76 HG -0.0012 -0.0001 0.0034 1157 LEU 76 CD1 -0.0003 0.0027 0.0022 1158 LEU 76 HD11 0.0010 0.0040 0.0016 1159 LEU 76 HD12 -0.0021 0.0034 0.0018 1160 LEU 76 HD13 -0.0002 0.0017 0.0026 1161 LEU 76 CD2 -0.0004 0.0024 0.0022 1162 LEU 76 HD21 -0.0001 0.0014 0.0027 1163 LEU 76 HD22 -0.0021 0.0031 0.0019 1164 LEU 76 HD23 0.0009 0.0038 0.0016 1165 LEU 76 C 0.0055 -0.0023 0.0045 1166 LEU 76 O 0.0058 -0.0032 0.0049 1167 GLU 77 N 0.0056 -0.0067 0.0050 1168 GLU 77 HN 0.0049 -0.0056 0.0044 1169 GLU 77 CA 0.0081 -0.0079 0.0049 1170 GLU 77 HA 0.0084 -0.0093 0.0058 1171 GLU 77 CB 0.0085 -0.0087 0.0053 1172 GLU 77 HB1 0.0105 -0.0096 0.0052 1173 GLU 77 HB2 0.0082 -0.0073 0.0044 1174 GLU 77 CG 0.0068 -0.0103 0.0071 1175 GLU 77 HG1 0.0049 -0.0093 0.0071 1176 GLU 77 HG2 0.0066 -0.0113 0.0079 1177 GLU 77 CD 0.0078 -0.0118 0.0078 1178 GLU 77 OE1 0.0078 -0.0110 0.0072 1179 GLU 77 OE2 0.0082 -0.0137 0.0090 1180 GLU 77 C 0.0098 -0.0065 0.0033 1181 GLU 77 O 0.0099 -0.0048 0.0020 1182 HIS 78 N 0.0153 -0.0069 0.0060 1183 HIS 78 HN 0.0156 -0.0087 0.0076 1184 HIS 78 CA 0.0180 -0.0037 0.0033 1185 HIS 78 HA 0.0168 -0.0017 0.0015 1186 HIS 78 CB 0.0179 -0.0024 0.0022 1187 HIS 78 HB1 0.0208 -0.0005 0.0007 1188 HIS 78 HB2 0.0184 -0.0046 0.0042 1189 HIS 78 CD2 0.0097 -0.0019 0.0012 1190 HIS 78 HD2 0.0089 -0.0044 0.0034 1191 HIS 78 CG 0.0135 -0.0007 0.0004 1192 HIS 78 NE2 0.0066 0.0007 -0.0013 1193 HIS 78 HE2 0.0036 0.0005 -0.0013 1194 HIS 78 ND1 0.0128 0.0027 -0.0026 1195 HIS 78 HD1 0.0150 0.0043 -0.0040 1196 HIS 78 CE1 0.0087 0.0034 -0.0035 1197 HIS 78 HE1 0.0072 0.0059 -0.0059 1198 HIS 78 C 0.0229 -0.0042 0.0041 1199 HIS 78 O 0.0250 -0.0066 0.0063 1200 HIS 79 N 0.0275 -0.0010 0.0073 1201 HIS 79 HN 0.0254 0.0018 0.0052 1202 HIS 79 CA 0.0334 -0.0015 0.0065 1203 HIS 79 HA 0.0355 -0.0038 0.0082 1204 HIS 79 CB 0.0351 -0.0024 0.0070 1205 HIS 79 HB1 0.0395 -0.0022 0.0059 1206 HIS 79 HB2 0.0326 -0.0002 0.0055 1207 HIS 79 CD2 0.0311 -0.0078 0.0127 1208 HIS 79 HD2 0.0282 -0.0060 0.0116 1209 HIS 79 CG 0.0343 -0.0067 0.0110 1210 HIS 79 NE2 0.0326 -0.0120 0.0162 1211 HIS 79 HE2 0.0311 -0.0139 0.0182 1212 HIS 79 ND1 0.0378 -0.0100 0.0133 1213 HIS 79 HD1 0.0406 -0.0100 0.0128 1214 HIS 79 CE1 0.0366 -0.0132 0.0165 1215 HIS 79 HE1 0.0386 -0.0164 0.0190 1216 HIS 79 C 0.0355 0.0026 0.0024 1217 HIS 79 O 0.0340 0.0057 -0.0001 1218 GLY 80 N 0.0488 0.0059 0.0044 1219 GLY 80 HN 0.0519 0.0052 0.0079 1220 GLY 80 CA 0.0519 0.0109 -0.0024 1221 GLY 80 HA1 0.0530 0.0112 -0.0023 1222 GLY 80 HA2 0.0573 0.0130 -0.0025 1223 GLY 80 C 0.0462 0.0127 -0.0097 1224 GLY 80 O 0.0433 0.0122 -0.0109 1225 GLY 81 N 0.0337 -0.0031 -0.0060 1226 GLY 81 HN 0.0373 -0.0022 -0.0088 1227 GLY 81 CA 0.0266 0.0018 -0.0095 1228 GLY 81 HA1 0.0283 0.0056 -0.0157 1229 GLY 81 HA2 0.0257 0.0010 -0.0080 1230 GLY 81 C 0.0174 0.0029 -0.0071 1231 GLY 81 O 0.0105 0.0062 -0.0086 1232 LYS 82 N 0.0165 -0.0020 -0.0105 1233 LYS 82 HN 0.0190 -0.0028 -0.0089 1234 LYS 82 CA 0.0117 -0.0018 -0.0089 1235 LYS 82 HA 0.0094 -0.0008 -0.0118 1236 LYS 82 CB 0.0112 -0.0021 -0.0074 1237 LYS 82 HB1 0.0075 -0.0020 -0.0061 1238 LYS 82 HB2 0.0136 -0.0032 -0.0045 1239 LYS 82 CG 0.0123 -0.0012 -0.0114 1240 LYS 82 HG1 0.0158 -0.0013 -0.0130 1241 LYS 82 HG2 0.0096 -0.0002 -0.0141 1242 LYS 82 CD 0.0123 -0.0017 -0.0098 1243 LYS 82 HD1 0.0086 -0.0015 -0.0085 1244 LYS 82 HD2 0.0147 -0.0027 -0.0068 1245 LYS 82 CE 0.0141 -0.0009 -0.0136 1246 LYS 82 HE1 0.0142 -0.0013 -0.0121 1247 LYS 82 HE2 0.0178 -0.0011 -0.0147 1248 LYS 82 NZ 0.0111 0.0005 -0.0177 1249 LYS 82 HZ1 0.0076 0.0007 -0.0167 1250 LYS 82 HZ2 0.0111 0.0010 -0.0194 1251 LYS 82 HZ3 0.0123 0.0010 -0.0201 1252 LYS 82 C 0.0102 -0.0026 -0.0049 1253 LYS 82 O 0.0129 -0.0038 -0.0018 1254 VAL 83 N 0.0052 0.0016 -0.0052 1255 VAL 83 HN 0.0042 0.0025 -0.0065 1256 VAL 83 CA 0.0035 0.0006 -0.0034 1257 VAL 83 HA 0.0047 -0.0005 -0.0018 1258 VAL 83 CB 0.0024 0.0010 -0.0041 1259 VAL 83 HB 0.0043 0.0013 -0.0046 1260 VAL 83 CG1 0.0005 0.0025 -0.0062 1261 VAL 83 HG11 -0.0000 0.0028 -0.0067 1262 VAL 83 HG12 0.0015 0.0034 -0.0077 1263 VAL 83 HG13 -0.0015 0.0023 -0.0058 1264 VAL 83 CG2 0.0010 -0.0002 -0.0019 1265 VAL 83 HG21 0.0005 0.0000 -0.0023 1266 VAL 83 HG22 -0.0010 -0.0005 -0.0014 1267 VAL 83 HG23 0.0024 -0.0013 -0.0004 1268 VAL 83 C 0.0011 0.0002 -0.0026 1269 VAL 83 O -0.0002 0.0011 -0.0040 1270 SER 84 N 0.0019 -0.0037 -0.0016 1271 SER 84 HN 0.0027 -0.0044 -0.0008 1272 SER 84 CA 0.0006 -0.0033 -0.0009 1273 SER 84 HA -0.0002 -0.0026 -0.0017 1274 SER 84 CB 0.0011 -0.0038 -0.0004 1275 SER 84 HB1 0.0018 -0.0046 0.0006 1276 SER 84 HB2 0.0018 -0.0037 -0.0014 1277 SER 84 OG -0.0003 -0.0034 0.0001 1278 SER 84 HG1 0.0001 -0.0036 0.0003 1279 SER 84 C -0.0003 -0.0035 0.0006 1280 SER 84 O 0.0003 -0.0042 0.0015 1281 ILE 85 N -0.0007 -0.0011 0.0005 1282 ILE 85 HN -0.0007 -0.0007 0.0001 1283 ILE 85 CA -0.0016 -0.0012 0.0011 1284 ILE 85 HA -0.0015 -0.0016 0.0015 1285 ILE 85 CB -0.0025 -0.0003 0.0006 1286 ILE 85 HB -0.0027 0.0000 0.0003 1287 ILE 85 CG2 -0.0035 -0.0004 0.0012 1288 ILE 85 HG21 -0.0040 0.0002 0.0008 1289 ILE 85 HG22 -0.0039 -0.0007 0.0018 1290 ILE 85 HG23 -0.0032 -0.0008 0.0015 1291 ILE 85 CG1 -0.0019 0.0002 -0.0003 1292 ILE 85 HG11 -0.0025 0.0008 -0.0006 1293 ILE 85 HG12 -0.0013 0.0003 -0.0007 1294 ILE 85 CD -0.0014 -0.0002 -0.0001 1295 ILE 85 HD1 -0.0009 0.0001 -0.0007 1296 ILE 85 HD2 -0.0021 -0.0002 0.0003 1297 ILE 85 HD3 -0.0008 -0.0009 0.0003 1298 ILE 85 C -0.0022 -0.0016 0.0018 1299 ILE 85 O -0.0024 -0.0012 0.0016 1300 LYS 86 N -0.0010 -0.0031 0.0026 1301 LYS 86 HN -0.0001 -0.0040 0.0031 1302 LYS 86 CA -0.0024 -0.0034 0.0043 1303 LYS 86 HA -0.0036 -0.0023 0.0035 1304 LYS 86 CB -0.0008 -0.0048 0.0052 1305 LYS 86 HB1 0.0004 -0.0045 0.0036 1306 LYS 86 HB2 -0.0019 -0.0048 0.0062 1307 LYS 86 CG 0.0008 -0.0066 0.0067 1308 LYS 86 HG1 -0.0004 -0.0069 0.0083 1309 LYS 86 HG2 0.0019 -0.0066 0.0057 1310 LYS 86 CD 0.0024 -0.0078 0.0072 1311 LYS 86 HD1 0.0036 -0.0074 0.0055 1312 LYS 86 HD2 0.0013 -0.0076 0.0080 1313 LYS 86 CE 0.0039 -0.0096 0.0088 1314 LYS 86 HE1 0.0028 -0.0100 0.0106 1315 LYS 86 HE2 0.0049 -0.0097 0.0081 1316 LYS 86 NZ 0.0057 -0.0106 0.0089 1317 LYS 86 HZ1 0.0052 -0.0100 0.0084 1318 LYS 86 HZ2 0.0073 -0.0107 0.0077 1319 LYS 86 HZ3 0.0061 -0.0118 0.0105 1320 LYS 86 C -0.0039 -0.0037 0.0063 1321 LYS 86 O -0.0036 -0.0041 0.0066 1322 GLY 87 N -0.0029 -0.0034 0.0042 1323 GLY 87 HN -0.0031 -0.0038 0.0047 1324 GLY 87 CA -0.0042 -0.0039 0.0044 1325 GLY 87 HA1 -0.0055 -0.0040 0.0039 1326 GLY 87 HA2 -0.0038 -0.0035 0.0039 1327 GLY 87 C -0.0042 -0.0050 0.0063 1328 GLY 87 O -0.0031 -0.0052 0.0073 1329 HIS 88 N -0.0051 -0.0053 0.0030 1330 HIS 88 HN -0.0063 -0.0050 0.0019 1331 HIS 88 CA -0.0056 -0.0059 0.0066 1332 HIS 88 HA -0.0031 -0.0062 0.0076 1333 HIS 88 CB -0.0071 -0.0060 0.0081 1334 HIS 88 HB1 -0.0098 -0.0057 0.0074 1335 HIS 88 HB2 -0.0058 -0.0059 0.0071 1336 HIS 88 CD2 -0.0091 -0.0069 0.0142 1337 HIS 88 HD2 -0.0117 -0.0067 0.0139 1338 HIS 88 CG -0.0068 -0.0067 0.0118 1339 HIS 88 NE2 -0.0075 -0.0076 0.0172 1340 HIS 88 HE2 -0.0086 -0.0079 0.0194 1341 HIS 88 ND1 -0.0038 -0.0072 0.0132 1342 HIS 88 HD1 -0.0017 -0.0071 0.0121 1343 HIS 88 CE1 -0.0044 -0.0077 0.0164 1344 HIS 88 HE1 -0.0026 -0.0082 0.0183 1345 HIS 88 C -0.0074 -0.0059 0.0077 1346 HIS 88 O -0.0094 -0.0055 0.0059 1347 HIS 89 N -0.0098 -0.0064 0.0200 1348 HIS 89 HN -0.0077 -0.0077 0.0227 1349 HIS 89 CA -0.0116 -0.0053 0.0202 1350 HIS 89 HA -0.0106 -0.0061 0.0237 1351 HIS 89 CB -0.0166 -0.0024 0.0203 1352 HIS 89 HB1 -0.0177 -0.0017 0.0208 1353 HIS 89 HB2 -0.0178 -0.0014 0.0167 1354 HIS 89 CD2 -0.0212 0.0001 0.0245 1355 HIS 89 HD2 -0.0226 0.0011 0.0213 1356 HIS 89 CG -0.0185 -0.0015 0.0245 1357 HIS 89 NE2 -0.0222 0.0004 0.0294 1358 HIS 89 HE2 -0.0243 0.0016 0.0307 1359 HIS 89 ND1 -0.0177 -0.0023 0.0293 1360 HIS 89 HD1 -0.0158 -0.0035 0.0305 1361 HIS 89 CE1 -0.0199 -0.0011 0.0322 1362 HIS 89 HE1 -0.0201 -0.0012 0.0362 1363 HIS 89 C -0.0096 -0.0062 0.0161 1364 HIS 89 O -0.0110 -0.0054 0.0153 1365 HIS 90 N -0.0062 -0.0069 0.0147 1366 HIS 90 HN -0.0063 -0.0073 0.0159 1367 HIS 90 CA -0.0036 -0.0080 0.0112 1368 HIS 90 HA -0.0022 -0.0094 0.0111 1369 HIS 90 CB -0.0016 -0.0101 0.0115 1370 HIS 90 HB1 0.0001 -0.0106 0.0086 1371 HIS 90 HB2 -0.0030 -0.0091 0.0123 1372 HIS 90 CD2 -0.0008 -0.0137 0.0186 1373 HIS 90 HD2 -0.0031 -0.0122 0.0205 1374 HIS 90 CG 0.0002 -0.0131 0.0146 1375 HIS 90 NE2 0.0016 -0.0168 0.0202 1376 HIS 90 HE2 0.0016 -0.0178 0.0231 1377 HIS 90 ND1 0.0034 -0.0158 0.0137 1378 HIS 90 HD1 0.0048 -0.0162 0.0111 1379 HIS 90 CE1 0.0041 -0.0179 0.0172 1380 HIS 90 HE1 0.0065 -0.0203 0.0174 1381 HIS 90 C -0.0044 -0.0056 0.0072 1382 HIS 90 O -0.0025 -0.0062 0.0041 1383 HIS 91 N -0.0043 -0.0002 0.0065 1384 HIS 91 HN -0.0050 0.0005 0.0093 1385 HIS 91 CA -0.0049 0.0023 0.0036 1386 HIS 91 HA -0.0045 0.0022 0.0009 1387 HIS 91 CB -0.0068 0.0062 0.0049 1388 HIS 91 HB1 -0.0073 0.0081 0.0025 1389 HIS 91 HB2 -0.0073 0.0064 0.0076 1390 HIS 91 CD2 -0.0086 0.0089 0.0089 1391 HIS 91 HD2 -0.0093 0.0095 0.0116 1392 HIS 91 CG -0.0075 0.0075 0.0056 1393 HIS 91 NE2 -0.0086 0.0093 0.0080 1394 HIS 91 HE2 -0.0092 0.0101 0.0098 1395 HIS 91 ND1 -0.0069 0.0071 0.0028 1396 HIS 91 HD1 -0.0061 0.0062 0.0001 1397 HIS 91 CE1 -0.0076 0.0082 0.0043 1398 HIS 91 HE1 -0.0074 0.0082 0.0029 1399 HIS 91 C -0.0044 0.0013 0.0025 1400 HIS 91 O -0.0040 -0.0003 0.0049 1401 TYR 92 N -0.0049 0.0012 0.0010 1402 TYR 92 HN -0.0049 0.0020 0.0001 1403 TYR 92 CA -0.0044 0.0010 -0.0000 1404 TYR 92 HA -0.0043 -0.0002 0.0010 1405 TYR 92 CB -0.0032 0.0003 -0.0022 1406 TYR 92 HB1 -0.0028 0.0004 -0.0031 1407 TYR 92 HB2 -0.0032 0.0013 -0.0031 1408 TYR 92 CG -0.0022 -0.0019 -0.0019 1409 TYR 92 CD1 -0.0021 -0.0025 -0.0016 1410 TYR 92 HD1 -0.0027 -0.0013 -0.0015 1411 TYR 92 CE1 -0.0013 -0.0046 -0.0014 1412 TYR 92 HE1 -0.0013 -0.0050 -0.0010 1413 TYR 92 CZ -0.0005 -0.0062 -0.0015 1414 TYR 92 OH 0.0003 -0.0083 -0.0012 1415 TYR 92 HH 0.0007 -0.0091 -0.0012 1416 TYR 92 CD2 -0.0014 -0.0035 -0.0022 1417 TYR 92 HD2 -0.0015 -0.0031 -0.0024 1418 TYR 92 CE2 -0.0006 -0.0056 -0.0019 1419 TYR 92 HE2 0.0000 -0.0068 -0.0021 1420 TYR 92 C -0.0052 0.0030 -0.0003 1421 TYR 92 O -0.0057 0.0047 -0.0010 1422 ILE 93 N -0.0046 0.0010 -0.0004 1423 ILE 93 HN -0.0043 0.0004 -0.0002 1424 ILE 93 CA -0.0046 0.0011 -0.0004 1425 ILE 93 HA -0.0047 0.0018 -0.0001 1426 ILE 93 CB -0.0040 0.0004 0.0003 1427 ILE 93 HB -0.0038 -0.0003 0.0000 1428 ILE 93 CG2 -0.0036 0.0007 0.0012 1429 ILE 93 HG21 -0.0031 0.0003 0.0016 1430 ILE 93 HG22 -0.0037 0.0015 0.0014 1431 ILE 93 HG23 -0.0036 0.0006 0.0011 1432 ILE 93 CG1 -0.0039 0.0005 0.0004 1433 ILE 93 HG11 -0.0040 0.0012 0.0007 1434 ILE 93 HG12 -0.0043 0.0004 -0.0003 1435 ILE 93 CD -0.0034 -0.0003 0.0008 1436 ILE 93 HD1 -0.0033 -0.0010 0.0005 1437 ILE 93 HD2 -0.0034 -0.0002 0.0009 1438 ILE 93 HD3 -0.0030 -0.0002 0.0015 1439 ILE 93 C -0.0050 0.0008 -0.0013 1440 ILE 93 O -0.0050 0.0000 -0.0017 1441 SER 94 N -0.0044 0.0008 -0.0017 1442 SER 94 HN -0.0035 0.0014 -0.0015 1443 SER 94 CA -0.0053 0.0003 -0.0020 1444 SER 94 HA -0.0062 -0.0003 -0.0022 1445 SER 94 CB -0.0056 0.0015 -0.0028 1446 SER 94 HB1 -0.0047 0.0021 -0.0026 1447 SER 94 HB2 -0.0058 0.0023 -0.0033 1448 SER 94 OG -0.0067 0.0012 -0.0033 1449 SER 94 HG1 -0.0065 0.0007 -0.0029 1450 SER 94 C -0.0048 -0.0006 -0.0013 1451 SER 94 O -0.0037 -0.0002 -0.0008 1452 ALA 95 N -0.0024 -0.0068 0.0013 1453 ALA 95 HN -0.0032 -0.0056 0.0022 1454 ALA 95 CA -0.0020 -0.0081 0.0021 1455 ALA 95 HA -0.0012 -0.0091 0.0009 1456 ALA 95 CB -0.0028 -0.0067 0.0026 1457 ALA 95 HB1 -0.0036 -0.0057 0.0040 1458 ALA 95 HB2 -0.0025 -0.0076 0.0033 1459 ALA 95 HB3 -0.0029 -0.0057 0.0011 1460 ALA 95 C -0.0018 -0.0094 0.0042 1461 ALA 95 O -0.0026 -0.0086 0.0058 1462 ASP 96 N -0.0032 -0.0133 0.0100 1463 ASP 96 HN -0.0028 -0.0141 0.0084 1464 ASP 96 CA -0.0043 -0.0151 0.0117 1465 ASP 96 HA -0.0049 -0.0144 0.0135 1466 ASP 96 CB -0.0046 -0.0177 0.0110 1467 ASP 96 HB1 -0.0054 -0.0192 0.0122 1468 ASP 96 HB2 -0.0040 -0.0184 0.0091 1469 ASP 96 CG -0.0046 -0.0176 0.0112 1470 ASP 96 OD1 -0.0047 -0.0196 0.0104 1471 ASP 96 OD2 -0.0046 -0.0156 0.0122 1472 ASP 96 C -0.0043 -0.0152 0.0116 1473 ASP 96 O -0.0034 -0.0142 0.0100 1474 HIS 97 N 0.0009 -0.0240 0.0216 1475 HIS 97 HN 0.0020 -0.0279 0.0258 1476 HIS 97 CA 0.0025 -0.0174 0.0180 1477 HIS 97 HA 0.0055 -0.0128 0.0172 1478 HIS 97 CB 0.0065 -0.0171 0.0217 1479 HIS 97 HB1 0.0078 -0.0119 0.0188 1480 HIS 97 HB2 0.0035 -0.0217 0.0223 1481 HIS 97 CD2 0.0189 -0.0123 0.0299 1482 HIS 97 HD2 0.0204 -0.0066 0.0268 1483 HIS 97 CG 0.0129 -0.0176 0.0282 1484 HIS 97 NE2 0.0231 -0.0156 0.0367 1485 HIS 97 HE2 0.0276 -0.0136 0.0394 1486 HIS 97 ND1 0.0133 -0.0241 0.0338 1487 HIS 97 HD1 0.0096 -0.0289 0.0340 1488 HIS 97 CE1 0.0195 -0.0228 0.0387 1489 HIS 97 HE1 0.0215 -0.0268 0.0439 1490 HIS 97 C -0.0036 -0.0164 0.0112 1491 HIS 97 O -0.0031 -0.0102 0.0068 1492 HIS 98 N -0.0076 -0.0184 0.0154 1493 HIS 98 HN -0.0081 -0.0210 0.0180 1494 HIS 98 CA -0.0105 -0.0200 0.0101 1495 HIS 98 HA -0.0098 -0.0165 0.0068 1496 HIS 98 CB -0.0117 -0.0224 0.0104 1497 HIS 98 HB1 -0.0124 -0.0259 0.0139 1498 HIS 98 HB2 -0.0096 -0.0194 0.0115 1499 HIS 98 CD2 -0.0178 -0.0287 0.0039 1500 HIS 98 HD2 -0.0188 -0.0325 0.0067 1501 HIS 98 CG -0.0147 -0.0240 0.0050 1502 HIS 98 NE2 -0.0195 -0.0279 -0.0019 1503 HIS 98 HE2 -0.0218 -0.0306 -0.0041 1504 HIS 98 ND1 -0.0145 -0.0203 0.0000 1505 HIS 98 HD1 -0.0125 -0.0165 -0.0004 1506 HIS 98 CE1 -0.0174 -0.0228 -0.0040 1507 HIS 98 HE1 -0.0180 -0.0209 -0.0084 1508 HIS 98 C -0.0134 -0.0240 0.0084 1509 HIS 98 O -0.0136 -0.0267 0.0120 1510 GLY 99 N -0.0136 -0.0210 0.0051 1511 GLY 99 HN -0.0131 -0.0207 0.0028 1512 GLY 99 CA -0.0143 -0.0223 0.0036 1513 GLY 99 HA1 -0.0160 -0.0244 0.0058 1514 GLY 99 HA2 -0.0146 -0.0235 0.0001 1515 GLY 99 C -0.0123 -0.0193 0.0036 1516 GLY 99 O -0.0100 -0.0158 0.0040 1517 HIS 100 N -0.0093 -0.0152 0.0026 1518 HIS 100 HN -0.0094 -0.0157 0.0026 1519 HIS 100 CA -0.0086 -0.0139 0.0024 1520 HIS 100 HA -0.0080 -0.0139 0.0019 1521 HIS 100 CB -0.0081 -0.0138 0.0020 1522 HIS 100 HB1 -0.0076 -0.0128 0.0018 1523 HIS 100 HB2 -0.0088 -0.0138 0.0025 1524 HIS 100 CD2 -0.0066 -0.0153 0.0007 1525 HIS 100 HD2 -0.0062 -0.0151 0.0005 1526 HIS 100 CG -0.0074 -0.0149 0.0014 1527 HIS 100 NE2 -0.0062 -0.0163 0.0003 1528 HIS 100 HE2 -0.0055 -0.0168 -0.0003 1529 HIS 100 ND1 -0.0076 -0.0155 0.0014 1530 HIS 100 HD1 -0.0081 -0.0153 0.0018 1531 HIS 100 CE1 -0.0068 -0.0163 0.0007 1532 HIS 100 HE1 -0.0067 -0.0169 0.0005 1533 HIS 100 C -0.0092 -0.0126 0.0029 1534 HIS 100 O -0.0100 -0.0124 0.0036 1535 VAL 101 N -0.0061 -0.0087 0.0008 1536 VAL 101 HN -0.0050 -0.0091 0.0001 1537 VAL 101 CA -0.0063 -0.0069 0.0013 1538 VAL 101 HA -0.0076 -0.0069 0.0020 1539 VAL 101 CB -0.0052 -0.0063 0.0008 1540 VAL 101 HB -0.0039 -0.0066 0.0001 1541 VAL 101 CG1 -0.0052 -0.0043 0.0012 1542 VAL 101 HG11 -0.0048 -0.0034 0.0012 1543 VAL 101 HG12 -0.0064 -0.0041 0.0019 1544 VAL 101 HG13 -0.0043 -0.0040 0.0008 1545 VAL 101 CG2 -0.0056 -0.0076 0.0008 1546 VAL 101 HG21 -0.0069 -0.0074 0.0015 1547 VAL 101 HG22 -0.0056 -0.0090 0.0004 1548 VAL 101 HG23 -0.0048 -0.0072 0.0004 1549 VAL 101 C -0.0061 -0.0056 0.0015 1550 VAL 101 O -0.0052 -0.0058 0.0009 1551 SER 102 N -0.0074 -0.0015 -0.0024 1552 SER 102 HN -0.0088 -0.0025 -0.0032 1553 SER 102 CA -0.0074 0.0021 -0.0017 1554 SER 102 HA -0.0054 0.0029 -0.0007 1555 SER 102 CB -0.0102 0.0038 -0.0026 1556 SER 102 HB1 -0.0103 0.0028 -0.0028 1557 SER 102 HB2 -0.0099 0.0065 -0.0019 1558 SER 102 OG -0.0131 0.0034 -0.0039 1559 SER 102 HG1 -0.0139 0.0014 -0.0046 1560 SER 102 C -0.0073 0.0034 -0.0014 1561 SER 102 O -0.0059 0.0019 -0.0011 1562 THR 103 N -0.0084 0.0092 -0.0029 1563 THR 103 HN -0.0095 0.0113 -0.0038 1564 THR 103 CA -0.0081 0.0089 -0.0026 1565 THR 103 HA -0.0079 0.0063 -0.0034 1566 THR 103 CB -0.0063 0.0099 0.0005 1567 THR 103 HB -0.0050 0.0083 0.0020 1568 THR 103 OG1 -0.0060 0.0093 0.0009 1569 THR 103 HG1 -0.0047 0.0094 0.0029 1570 THR 103 CG2 -0.0066 0.0136 0.0016 1571 THR 103 HG21 -0.0053 0.0142 0.0040 1572 THR 103 HG22 -0.0069 0.0142 0.0014 1573 THR 103 HG23 -0.0079 0.0153 0.0004 1574 THR 103 C -0.0100 0.0111 -0.0047 1575 THR 103 O -0.0110 0.0137 -0.0052 1576 LYS 104 N -0.0035 0.0101 -0.0034 1577 LYS 104 HN -0.0039 0.0087 -0.0031 1578 LYS 104 CA -0.0037 0.0110 -0.0054 1579 LYS 104 HA -0.0032 0.0124 -0.0052 1580 LYS 104 CB -0.0039 0.0112 -0.0070 1581 LYS 104 HB1 -0.0035 0.0122 -0.0063 1582 LYS 104 HB2 -0.0040 0.0121 -0.0084 1583 LYS 104 CG -0.0047 0.0093 -0.0076 1584 LYS 104 HG1 -0.0051 0.0085 -0.0086 1585 LYS 104 HG2 -0.0047 0.0083 -0.0062 1586 LYS 104 CD -0.0048 0.0097 -0.0087 1587 LYS 104 HD1 -0.0044 0.0103 -0.0076 1588 LYS 104 HD2 -0.0047 0.0108 -0.0100 1589 LYS 104 CE -0.0056 0.0078 -0.0096 1590 LYS 104 HE1 -0.0060 0.0071 -0.0106 1591 LYS 104 HE2 -0.0057 0.0066 -0.0083 1592 LYS 104 NZ -0.0057 0.0082 -0.0108 1593 LYS 104 HZ1 -0.0063 0.0071 -0.0119 1594 LYS 104 HZ2 -0.0054 0.0096 -0.0116 1595 LYS 104 HZ3 -0.0056 0.0080 -0.0100 1596 LYS 104 C -0.0042 0.0098 -0.0063 1597 LYS 104 O -0.0046 0.0081 -0.0056 1598 GLU 105 N -0.0032 0.0164 -0.0064 1599 GLU 105 HN -0.0022 0.0203 -0.0080 1600 GLU 105 CA -0.0039 0.0123 -0.0090 1601 GLU 105 HA -0.0049 0.0092 -0.0058 1602 GLU 105 CB -0.0031 0.0151 -0.0113 1603 GLU 105 HB1 -0.0021 0.0183 -0.0147 1604 GLU 105 HB2 -0.0029 0.0174 -0.0076 1605 GLU 105 CG -0.0039 0.0108 -0.0139 1606 GLU 105 HG1 -0.0049 0.0075 -0.0107 1607 GLU 105 HG2 -0.0041 0.0087 -0.0179 1608 GLU 105 CD -0.0031 0.0137 -0.0156 1609 GLU 105 OE1 -0.0034 0.0137 -0.0119 1610 GLU 105 OE2 -0.0022 0.0159 -0.0205 1611 GLU 105 C -0.0043 0.0092 -0.0139 1612 GLU 105 O -0.0034 0.0119 -0.0174 1613 HIS 106 N -0.0006 0.0048 -0.0126 1614 HIS 106 HN -0.0037 0.0022 -0.0109 1615 HIS 106 CA -0.0028 0.0009 -0.0164 1616 HIS 106 HA -0.0067 -0.0041 -0.0184 1617 HIS 106 CB 0.0017 0.0025 -0.0247 1618 HIS 106 HB1 -0.0006 -0.0011 -0.0273 1619 HIS 106 HB2 0.0059 0.0077 -0.0234 1620 HIS 106 CD2 0.0092 0.0065 -0.0354 1621 HIS 106 HD2 0.0137 0.0118 -0.0345 1622 HIS 106 CG 0.0036 0.0018 -0.0316 1623 HIS 106 NE2 0.0082 0.0032 -0.0409 1624 HIS 106 HE2 0.0112 0.0055 -0.0435 1625 HIS 106 ND1 -0.0010 -0.0044 -0.0347 1626 HIS 106 HD1 -0.0055 -0.0088 -0.0331 1627 HIS 106 CE1 0.0020 -0.0033 -0.0402 1628 HIS 106 HE1 -0.0002 -0.0071 -0.0437 1629 HIS 106 C -0.0055 0.0004 -0.0102 1630 HIS 106 O -0.0032 0.0053 -0.0046 1631 HIS 107 N -0.0017 -0.0012 -0.0079 1632 HIS 107 HN -0.0019 -0.0019 -0.0086 1633 HIS 107 CA -0.0021 -0.0017 -0.0073 1634 HIS 107 HA -0.0022 -0.0013 -0.0061 1635 HIS 107 CB -0.0028 -0.0033 -0.0075 1636 HIS 107 HB1 -0.0027 -0.0037 -0.0087 1637 HIS 107 HB2 -0.0032 -0.0038 -0.0068 1638 HIS 107 CD2 -0.0032 -0.0043 -0.0080 1639 HIS 107 HD2 -0.0029 -0.0044 -0.0093 1640 HIS 107 CG -0.0032 -0.0039 -0.0071 1641 HIS 107 NE2 -0.0036 -0.0047 -0.0071 1642 HIS 107 HE2 -0.0036 -0.0050 -0.0074 1643 HIS 107 ND1 -0.0036 -0.0040 -0.0056 1644 HIS 107 HD1 -0.0037 -0.0037 -0.0047 1645 HIS 107 CE1 -0.0038 -0.0045 -0.0057 1646 HIS 107 HE1 -0.0041 -0.0046 -0.0047 1647 HIS 107 C -0.0017 -0.0011 -0.0080 1648 HIS 107 O -0.0013 -0.0009 -0.0093 1649 ASP 108 N -0.0037 -0.0007 -0.0084 1650 ASP 108 HN -0.0036 -0.0011 -0.0072 1651 ASP 108 CA -0.0038 -0.0004 -0.0093 1652 ASP 108 HA -0.0041 -0.0008 -0.0106 1653 ASP 108 CB -0.0034 0.0015 -0.0092 1654 ASP 108 HB1 -0.0032 0.0018 -0.0079 1655 ASP 108 HB2 -0.0033 0.0021 -0.0095 1656 ASP 108 CG -0.0035 0.0021 -0.0105 1657 ASP 108 OD1 -0.0038 0.0012 -0.0113 1658 ASP 108 OD2 -0.0032 0.0037 -0.0105 1659 ASP 108 C -0.0039 -0.0015 -0.0086 1660 ASP 108 O -0.0038 -0.0022 -0.0072 1661 HIS 109 N -0.0031 -0.0005 -0.0056 1662 HIS 109 HN -0.0036 -0.0004 -0.0057 1663 HIS 109 CA -0.0029 -0.0012 -0.0059 1664 HIS 109 HA -0.0024 -0.0014 -0.0058 1665 HIS 109 CB -0.0034 -0.0017 -0.0062 1666 HIS 109 HB1 -0.0033 -0.0022 -0.0065 1667 HIS 109 HB2 -0.0040 -0.0014 -0.0063 1668 HIS 109 CD2 -0.0038 -0.0015 -0.0063 1669 HIS 109 HD2 -0.0043 -0.0012 -0.0064 1670 HIS 109 CG -0.0034 -0.0017 -0.0062 1671 HIS 109 NE2 -0.0035 -0.0017 -0.0063 1672 HIS 109 HE2 -0.0037 -0.0016 -0.0063 1673 HIS 109 ND1 -0.0028 -0.0020 -0.0062 1674 HIS 109 HD1 -0.0024 -0.0022 -0.0061 1675 HIS 109 CE1 -0.0029 -0.0019 -0.0062 1676 HIS 109 HE1 -0.0025 -0.0021 -0.0061 1677 HIS 109 C -0.0027 -0.0014 -0.0059 1678 HIS 109 O -0.0023 -0.0019 -0.0060 1679 ASP 110 N -0.0034 -0.0027 -0.0021 1680 ASP 110 HN -0.0034 -0.0025 -0.0025 1681 ASP 110 CA -0.0022 -0.0030 -0.0019 1682 ASP 110 HA -0.0021 -0.0035 -0.0011 1683 ASP 110 CB -0.0012 -0.0029 -0.0025 1684 ASP 110 HB1 -0.0004 -0.0031 -0.0024 1685 ASP 110 HB2 -0.0014 -0.0025 -0.0033 1686 ASP 110 CG -0.0011 -0.0033 -0.0019 1687 ASP 110 OD1 -0.0017 -0.0036 -0.0011 1688 ASP 110 OD2 -0.0003 -0.0032 -0.0024 1689 ASP 110 C -0.0020 -0.0028 -0.0025 1690 ASP 110 O -0.0012 -0.0031 -0.0022 1691 THR 111 N -0.0037 -0.0004 -0.0048 1692 THR 111 HN -0.0038 -0.0006 -0.0054 1693 THR 111 CA -0.0034 -0.0006 -0.0038 1694 THR 111 HA -0.0033 -0.0003 -0.0032 1695 THR 111 CB -0.0034 -0.0002 -0.0036 1696 THR 111 HB -0.0032 -0.0003 -0.0028 1697 THR 111 OG1 -0.0035 -0.0008 -0.0042 1698 THR 111 HG1 -0.0034 -0.0015 -0.0039 1699 THR 111 CG2 -0.0035 0.0010 -0.0040 1700 THR 111 HG21 -0.0037 0.0010 -0.0048 1701 THR 111 HG22 -0.0035 0.0013 -0.0038 1702 THR 111 HG23 -0.0034 0.0015 -0.0035 1703 THR 111 C -0.0033 -0.0019 -0.0036 1704 THR 111 O -0.0031 -0.0023 -0.0029 1705 THR 112 N -0.0029 -0.0010 -0.0043 1706 THR 112 HN -0.0029 -0.0006 -0.0047 1707 THR 112 CA -0.0021 -0.0013 -0.0045 1708 THR 112 HA -0.0022 -0.0016 -0.0040 1709 THR 112 CB -0.0013 -0.0016 -0.0047 1710 THR 112 HB -0.0012 -0.0013 -0.0052 1711 THR 112 OG1 -0.0012 -0.0021 -0.0041 1712 THR 112 HG1 -0.0016 -0.0019 -0.0040 1713 THR 112 CG2 -0.0006 -0.0019 -0.0048 1714 THR 112 HG21 -0.0007 -0.0023 -0.0043 1715 THR 112 HG22 0.0000 -0.0022 -0.0049 1716 THR 112 HG23 -0.0005 -0.0016 -0.0054 1717 THR 112 C -0.0021 -0.0007 -0.0052 1718 THR 112 O -0.0022 -0.0002 -0.0057 1719 PHE 113 N -0.0015 0.0016 -0.0022 1720 PHE 113 HN -0.0017 0.0017 -0.0024 1721 PHE 113 CA -0.0017 0.0023 -0.0026 1722 PHE 113 HA -0.0014 0.0022 -0.0022 1723 PHE 113 CB -0.0025 0.0020 -0.0035 1724 PHE 113 HB1 -0.0027 0.0024 -0.0038 1725 PHE 113 HB2 -0.0028 0.0022 -0.0039 1726 PHE 113 CG -0.0027 0.0008 -0.0035 1727 PHE 113 CD1 -0.0032 0.0002 -0.0040 1728 PHE 113 HD1 -0.0035 0.0006 -0.0044 1729 PHE 113 CE1 -0.0034 -0.0009 -0.0040 1730 PHE 113 HE1 -0.0038 -0.0014 -0.0044 1731 PHE 113 CZ -0.0031 -0.0014 -0.0035 1732 PHE 113 HZ -0.0032 -0.0023 -0.0034 1733 PHE 113 CD2 -0.0024 0.0003 -0.0030 1734 PHE 113 HD2 -0.0020 0.0007 -0.0025 1735 PHE 113 CE2 -0.0026 -0.0008 -0.0029 1736 PHE 113 HE2 -0.0023 -0.0012 -0.0025 1737 PHE 113 C -0.0016 0.0034 -0.0026 1738 PHE 113 O -0.0014 0.0036 -0.0025 1739 GLU 114 N -0.0041 0.0078 -0.0046 1740 GLU 114 HN -0.0037 0.0097 -0.0042 1741 GLU 114 CA -0.0050 0.0071 -0.0042 1742 GLU 114 HA -0.0059 0.0051 -0.0043 1743 GLU 114 CB -0.0032 0.0076 -0.0054 1744 GLU 114 HB1 -0.0040 0.0071 -0.0050 1745 GLU 114 HB2 -0.0024 0.0097 -0.0052 1746 GLU 114 CG -0.0014 0.0060 -0.0075 1747 GLU 114 HG1 -0.0004 0.0067 -0.0080 1748 GLU 114 HG2 -0.0022 0.0039 -0.0077 1749 GLU 114 CD 0.0002 0.0063 -0.0086 1750 GLU 114 OE1 0.0015 0.0047 -0.0103 1751 GLU 114 OE2 0.0001 0.0080 -0.0079 1752 GLU 114 C -0.0066 0.0087 -0.0022 1753 GLU 114 O -0.0066 0.0108 -0.0014 1754 GLU 115 N -0.0171 0.0188 0.0007 1755 GLU 115 HN -0.0198 0.0226 0.0005 1756 GLU 115 CA -0.0146 0.0159 0.0005 1757 GLU 115 HA -0.0106 0.0152 -0.0025 1758 GLU 115 CB -0.0166 0.0198 -0.0004 1759 GLU 115 HB1 -0.0152 0.0175 -0.0000 1760 GLU 115 HB2 -0.0209 0.0213 0.0022 1761 GLU 115 CG -0.0147 0.0250 -0.0052 1762 GLU 115 HG1 -0.0159 0.0275 -0.0058 1763 GLU 115 HG2 -0.0104 0.0235 -0.0078 1764 GLU 115 CD -0.0169 0.0289 -0.0058 1765 GLU 115 OE1 -0.0164 0.0267 -0.0048 1766 GLU 115 OE2 -0.0190 0.0342 -0.0074 1767 GLU 115 C -0.0150 0.0100 0.0045 1768 GLU 115 O -0.0186 0.0086 0.0084 1769 ILE 116 N -0.0110 0.0019 0.0025 1770 ILE 116 HN -0.0069 0.0034 0.0022 1771 ILE 116 CA -0.0110 -0.0042 0.0043 1772 ILE 116 HA -0.0154 -0.0052 0.0044 1773 ILE 116 CB -0.0061 -0.0054 0.0049 1774 ILE 116 HB -0.0017 -0.0037 0.0046 1775 ILE 116 CG2 -0.0077 -0.0018 0.0037 1776 ILE 116 HG21 -0.0084 0.0028 0.0023 1777 ILE 116 HG22 -0.0039 -0.0020 0.0040 1778 ILE 116 HG23 -0.0119 -0.0036 0.0041 1779 ILE 116 CG1 -0.0054 -0.0119 0.0069 1780 ILE 116 HG11 -0.0097 -0.0136 0.0072 1781 ILE 116 HG12 -0.0044 -0.0145 0.0077 1782 ILE 116 CD -0.0002 -0.0131 0.0076 1783 ILE 116 HD1 0.0042 -0.0114 0.0073 1784 ILE 116 HD2 0.0002 -0.0179 0.0090 1785 ILE 116 HD3 -0.0010 -0.0110 0.0069 1786 ILE 116 C -0.0104 -0.0080 0.0055 1787 ILE 116 O -0.0063 -0.0069 0.0053 1788 ILE 117 N -0.0269 -0.0340 0.0202 1789 ILE 117 HN -0.0341 -0.0401 0.0266 1790 ILE 117 CA -0.0305 -0.0347 0.0223 1791 ILE 117 HA -0.0270 -0.0234 0.0155 1792 ILE 117 CB -0.0494 -0.0340 0.0317 1793 ILE 117 HB -0.0541 -0.0441 0.0386 1794 ILE 117 CG2 -0.0527 -0.0381 0.0352 1795 ILE 117 HG21 -0.0665 -0.0367 0.0417 1796 ILE 117 HG22 -0.0469 -0.0517 0.0382 1797 ILE 117 HG23 -0.0476 -0.0290 0.0286 1798 ILE 117 CG1 -0.0598 -0.0156 0.0290 1799 ILE 117 HG11 -0.0520 -0.0055 0.0205 1800 ILE 117 HG12 -0.0708 -0.0127 0.0334 1801 ILE 117 CD -0.0670 -0.0143 0.0321 1802 ILE 117 HD1 -0.0567 -0.0162 0.0276 1803 ILE 117 HD2 -0.0752 -0.0242 0.0407 1804 ILE 117 HD3 -0.0749 -0.0012 0.0304 1805 ILE 117 C -0.0193 -0.0506 0.0236 1806 ILE 117 O -0.0174 -0.0649 0.0289 1807 ILE 118 N -0.0130 -0.0545 -0.0080 1808 ILE 118 HN -0.0039 -0.0445 -0.0034 1809 ILE 118 CA 0.0094 -0.1360 -0.0418 1810 ILE 118 HA -0.0067 -0.0784 -0.0179 1811 ILE 118 CB 0.0284 -0.0594 -0.0085 1812 ILE 118 HB 0.0400 -0.0542 -0.0058 1813 ILE 118 CG2 0.0455 -0.0771 -0.0153 1814 ILE 118 HG21 0.0631 -0.0679 -0.0107 1815 ILE 118 HG22 0.0521 -0.0926 -0.0217 1816 ILE 118 HG23 0.0344 -0.0839 -0.0187 1817 ILE 118 CG1 0.0230 -0.0358 0.0013 1818 ILE 118 HG11 0.0419 -0.0282 0.0053 1819 ILE 118 HG12 0.0138 -0.0223 0.0067 1820 ILE 118 CD 0.0054 -0.0382 -0.0004 1821 ILE 118 HD1 0.0022 -0.0204 0.0071 1822 ILE 118 HD2 0.0144 -0.0506 -0.0053 1823 ILE 118 HD3 -0.0140 -0.0453 -0.0041 1824 ILE 118 C 0.0098 -0.0922 -0.0231 1825 ILE 118 OT1 0.0181 -0.0889 -0.0214 1826 ILE 118 OT2 -0.0051 -0.0787 -0.0180